smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1Br 8399501 LODIWOQFQSAMPW-HNNXBMFYSA-N 429.336 2.830 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 9224670 KGQXSTKYMYBWJD-UHFFFAOYSA-N 432.527 2.928 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 9507992 WYWBSVGRWFYAIV-UHFFFAOYSA-N 444.542 2.500 0 40 IFAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccccc3Cl)c(-c3ccccc3)cn21 9713402 LYZPOEBPXDHZJZ-UHFFFAOYSA-N 449.898 2.841 0 40 IFAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 9980124 AECQWYADVGEEMG-HNNXBMFYSA-N 436.555 2.649 0 40 IFAB COc1cc(C(=O)OCC(=O)Nc2cc3c(cc2Cl)OCCO3)cc2c1OCCO2 10668141 SWGGSUPRVRCJEL-UHFFFAOYSA-N 435.816 2.687 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697665 AMVLNOLXKYAPFU-UHFFFAOYSA-N 428.452 2.684 0 40 IFAB O=C(COc1ncnc2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12581574 QYMOAJXTIPUJJB-UHFFFAOYSA-N 426.498 2.822 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)c(C)c1 12928994 UKFVDVXDXDSOON-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2OC)ccc1OC 12942064 WMRUHZMXAASIFM-UHFFFAOYSA-N 436.530 2.543 0 40 IFAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O 13017887 HMIRFLULBCCKMK-UHFFFAOYSA-N 434.562 2.543 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@H]1c1ccco1 15378599 OFWQOPLCHMMYTP-FQEVSTJZSA-N 444.919 2.926 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1 16842460 FTOYNMJFRNMLKZ-UHFFFAOYSA-N 448.551 2.887 0 40 IFAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19078293 CMVDSHZZEIKMCQ-DFEHZGFQSA-N 435.475 2.983 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 19171531 NRWGTWUQOWBUQR-UHFFFAOYSA-N 444.294 2.771 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C[C@@H]3CCCO3)[nH]c(=O)c2C1 19238680 UNNMZLDFUWJFHS-QFBILLFUSA-N 442.585 2.931 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC(O)(Cn3ncc4ccc(NC(=O)C(C)C)cc43)CC2)o1 19559255 SLADBSUIJPJUDK-UHFFFAOYSA-N 439.516 2.903 0 40 IFAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3ccccc3)C1)C2=O 19699652 WPBHDOYBMSLLAL-JOCHJYFZSA-N 446.551 2.878 0 40 IFAB Cc1cc(OCC(=O)N(C)Cc2nc([C@H]3CCCNC3)cc(N(C)C)n2)c2ccccc2n1 19710004 NYYIFEVIENHRTC-SFHVURJKSA-N 448.571 2.904 0 40 IFAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(C(=O)NCCN5CCOCC5)nc4c23)C1 20503833 XUEKJROHCIVPNB-AWEZNQCLSA-N 442.589 2.552 0 40 IFAB COc1cccc([C@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 22804912 CWRNNFDPHSSPLM-REWPJTCUSA-N 446.617 2.795 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)cc1 23134975 CMODIDBEEITGSU-QFIPXVFZSA-N 434.544 2.899 0 40 IFAB C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 23628707 KVQQFTCRXLZBEZ-BUBBNXEVSA-N 434.562 2.653 0 40 IFAB Cc1ccc(-n2nnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c(C)c1 23818673 BGNNVPQDWCAWDY-UHFFFAOYSA-N 444.605 2.523 0 40 IFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 24738720 ZJTOELNSPPURRL-UHFFFAOYSA-N 432.402 2.760 0 40 IFAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O 30974079 SDKCEVHHRMAVFZ-CQSZACIVSA-N 430.892 2.572 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 35264451 IIOMSJLGIPRFJV-FQEVSTJZSA-N 436.556 2.595 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 36716756 XLZVRRLHLQYHCK-HSZRJFAPSA-N 437.521 2.858 0 40 IFAB O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(CCOc2ccccc2)CC1 40130630 VZOZTONGDJFPKQ-GOSISDBHSA-N 429.952 2.570 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@H](C)C3)[nH]c(=O)c21 40388707 BSYQFDZSVVEYNE-SOUVJXGZSA-N 439.516 2.634 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)c1 49009375 IHUVTPSFADVRNX-UHFFFAOYSA-N 439.859 2.867 0 40 IFAB COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)cc1OC 49405961 WTUGOHNNLBTJLX-UHFFFAOYSA-N 449.511 2.628 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1)Nc1ccc(F)cc1 57364757 JOXCKAYTUWGXLN-QFIPXVFZSA-N 441.503 2.780 0 40 IFAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(I)cc1 57463417 UXSIBDQVESPIQO-UHFFFAOYSA-N 428.299 2.508 0 40 IFAB COC(=O)CNC(=O)c1cccc(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)c1 78875770 PIRZLKVJAQJKNJ-UHFFFAOYSA-N 442.859 2.864 0 40 IFAB COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(-c4ccccn4)cs3)C2=O)cc1 95474551 OSGZZXJTEBNOTH-MRXNPFEDSA-N 437.481 2.663 0 40 IFAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(CC2CCOCC2)CC3)C1=O 96036483 URYBJFSPBHKFKM-RUZDIDTESA-N 426.605 2.645 0 40 IFAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)nc12 100147058 UBESCYAKGBKWTD-CQSZACIVSA-N 440.500 2.961 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccc(F)cc1 101165681 KFQBDQSHXCEMRR-HZPDHXFCSA-N 446.236 2.520 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@@H]3[C@H]4CO[C@@H](O4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1OC 106092948 NOZZTXUAPWQXFG-KPVKAKJJSA-N 433.460 2.727 0 40 IFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(Cl)cc1 225112122 KNCCUVPVONTNBO-UHFFFAOYSA-N 440.949 2.727 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@@H]3[C@@H]4C(=O)N(C(C)C)C[C@@]45C=C[C@H]3O5)CC2)nc1C 248167226 PCNUZSSDYQQJGY-MIVHDCIWSA-N 443.569 2.551 0 40 IFAB Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306123720 AUPFUFICHNNDLK-GCJKJVERSA-N 427.574 2.984 0 40 IFAB CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@]2(CCN(Cc3ccccc3)C2)O1 306141640 WCSXLRUODRQFBH-AOYPEHQESA-N 434.584 2.796 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 408705028 XGPPQPWOHQBHQS-GFCCVEGCSA-N 440.905 2.913 0 40 IFAB Cn1nccc1[C@@H]1CCCCN1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 500413222 DDPAITHCIRBAJT-FQEVSTJZSA-N 427.574 2.775 0 40 IFAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(OCC(C)C)c(OC)c2)cc2c(O)nnc1-2 524734685 CMEICIKVGMDYRH-MRXNPFEDSA-N 443.456 2.983 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 552140904 DVNNIURHRQNCPW-OAHLLOKOSA-N 445.463 2.966 0 40 IFAB Cc1cc(S(=O)(=O)N2CCC(c3nnc4n3CCC4)CC2)ccc1Br 616019431 QXOVKUVDAGZCCM-UHFFFAOYSA-N 425.352 2.864 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3C[C@H](CC(N)=O)[C@H](OC(=O)c4ccccc4)C3)n[nH]2)cc1 643587053 QTTYHDWCAAUOQT-GHTZIAJQSA-N 432.480 2.558 0 40 IFAB CC(C)c1nc2ccccc2n1C1CN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1 1889030186 JQQYPGQPAZIWCF-UHFFFAOYSA-N 426.498 2.850 0 40 IFAB CN(C)C[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)CN(C)C)cc2)cc1 1288615 JAASKQSZJDOJLJ-FGZHOGPDSA-N 430.589 2.615 0 40 IFAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3C=NN2[C@H](C(=O)OCC)[C@H]2c3ccccc3C=NN12 9076017 UEGOQIIYBYDIQE-CZYKHXBRSA-N 432.480 2.645 0 40 IFAB NC(=O)c1cc(N2CCCCC2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 9116221 XJGUXEMNQHRXSL-UHFFFAOYSA-N 431.514 2.738 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=O)NCCCl)c(C)c1 9138577 AICMSLWZIFNRAC-UHFFFAOYSA-N 441.897 2.877 0 40 IFAB Cc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cc1S(=O)(=O)N1CCOCC1 9349289 VYKVRZIWTDMHHM-UHFFFAOYSA-N 441.509 2.559 0 40 IFAB Cc1ccc(C)c(CN2N=C(c3ccc(F)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 9707549 QCYZBWBFLRMEJY-UHFFFAOYSA-N 446.486 2.614 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1c1ccc(OC)cc1 9764364 RPYHOAZVWPIQLN-RBBKRZOGSA-N 437.544 2.524 0 40 IFAB CCOc1ccc(CC(=O)N(c2ccc(OC)cc2OC)[C@@H]2C=CS(=O)(=O)C2)cc1 9833898 QHZVKTSEYPVRLG-QGZVFWFLSA-N 431.510 2.989 0 40 IFAB Cc1c(NS(=O)(=O)c2c(F)cc(F)cc2Br)cccc1-n1cnnn1 9914122 ZVZVEFVYAVHMPC-UHFFFAOYSA-N 430.234 2.812 0 40 IFAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1 10201775 FAQGQJMQBKNYBA-PMACEKPBSA-N 427.501 2.994 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1OC 11575470 OEQSOVWXELQBRK-JTQLQIEISA-N 425.894 2.731 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCC2)cc1 12632532 LAZQTUPTICGIOO-NRFANRHFSA-N 431.558 2.512 0 40 IFAB CN(Cc1ccccc1N1CCOCC1)C(=O)C[C@H](NC(N)=O)c1ccccc1Cl 12728575 XNQRLPSSNGMGIH-IBGZPJMESA-N 430.936 2.935 0 40 IFAB CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1Cl 12773229 XTCNLJSMGGVYGQ-UHFFFAOYSA-N 443.934 2.633 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1S(=O)(=O)NC1CC1 12867908 RJYBRKBTUGPRDI-UHFFFAOYSA-N 426.397 2.710 0 40 IFAB O=C(CNC(=O)c1ccccc1F)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 13011021 MECMYJCDTHWIFS-BOPFTXTBSA-N 445.447 2.547 0 40 IFAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 13121620 CNKXGCRIDIYWKZ-UHFFFAOYSA-N 443.525 2.778 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 13150519 DKTOKZDGYZKVIM-QFIPXVFZSA-N 443.494 2.741 0 40 IFAB Cc1ccc(CNC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 13572137 BCDZZOXJYHVSSS-MSOLQXFVSA-N 427.595 2.910 0 40 IFAB COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)oc2c1 13608109 NMAYIOLKEAENMF-UHFFFAOYSA-N 434.452 2.940 0 40 IFAB Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 13793618 DOZKVQZRQVYHML-CVEARBPZSA-N 437.587 2.931 0 40 IFAB CC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 17113085 UNNKGRLFMDAYKE-QGZVFWFLSA-N 426.922 2.727 0 40 IFAB COc1cccc(CC(=O)N2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)c1 19022785 IXRHVWHIVJEGIB-UHFFFAOYSA-N 436.512 2.600 0 40 IFAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19696759 DPSBBGVBWHNCNC-KRWDZBQOSA-N 441.509 2.703 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)CCc3ccc(Cl)cc3)C1)C2=O 19700787 FFGDSVOKKDLHJC-IBGZPJMESA-N 446.979 2.670 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN3C(=O)c3cnn(C)c3)nc21 19744338 FRNKHIVKLCUBTQ-LJQANCHMSA-N 446.511 2.594 0 40 IFAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C1=O 19797419 JTPGCQXUFWCDQN-UHFFFAOYSA-N 425.510 2.843 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4nc(C)cc(C)n4)CC3)CC2=O)cc1 21449466 MIWMLCDDOSUQHX-IBGZPJMESA-N 435.528 2.632 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(Cl)c1Cl 24985661 CZQYECRUIQPNIS-BONVTDFDSA-N 433.313 2.694 0 40 IFAB C[C@H](OC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)NC1CCCCCC1 25731799 GCVOYEFPLIJPDS-VBURHUQHSA-N 435.565 2.894 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 30590378 LRLHLBOHZHVJIS-IBGZPJMESA-N 444.557 2.705 0 40 IFAB O=C(Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1)N[C@H]1CCS(=O)(=O)C1 31813824 JEJRCPHUDJCTQW-AWEZNQCLSA-N 430.511 2.857 0 40 IFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1nccn1C 32843973 GNSKBCIVIHBMPV-FQEVSTJZSA-N 428.514 2.845 0 40 IFAB O=C(Nc1ccccc1O)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 32908947 RHVWLKBZBVRPLV-UHFFFAOYSA-N 437.548 2.633 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cccc(Cl)c1 38199957 SWZVFPHIRMLWSN-INIZCTEOSA-N 441.875 2.932 0 40 IFAB CCOc1ccccc1NC(=O)Cn1cc(C(=O)N2CCCC2)c(=O)c2ccc(C)nc21 49002228 HFFDWMMWLNTRMP-UHFFFAOYSA-N 434.496 2.978 0 40 IFAB O=C(CN1CCC(NC(=O)C2CC2)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 58133407 KVJOQRSIHOLMIZ-NRFANRHFSA-N 432.996 2.584 0 40 IFAB COc1cccc(NC(=O)C[C@@H](CN2CCN(c3ccccc3OC)CC2)C(=O)O)c1 71285534 DXJOSQKFPPDYEF-KRWDZBQOSA-N 427.501 2.555 0 40 IFAB O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H](c4nc(-c5ccccc5)c[nH]4)C3)cc2N1 72284604 WWMUAACROJLLRR-MRXNPFEDSA-N 438.509 2.976 0 40 IFAB Cc1oc(C)c(C(=O)O[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1Br 84008229 FCRJTNWWCKGJAU-DOMZBBRYSA-N 429.311 2.564 0 40 IFAB Cc1cccc(N2CCN(CCCNC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)c1 95349997 RQKOQURPVXRYBT-UHFFFAOYSA-N 444.601 2.617 0 40 IFAB COC(=O)c1nc(NC(=O)C[C@@H]2N=C(O)N(CCc3ccccc3)C2=O)sc1C(C)C 95475288 XNOLUDMTJUWHFA-AWEZNQCLSA-N 444.513 2.749 0 40 IFAB CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1cccc(Cl)c1)Cn1ccnc12 96144668 CTOXIIJJFJLPPO-KRWDZBQOSA-N 431.924 2.983 0 40 IFAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 97109055 GECCAOHJYFQHQO-LBPRGKRZSA-N 443.447 2.857 0 40 IFAB COc1cccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)N(C)C)c1 105531656 ALEWYHKOYUJCTI-IVZQSRNASA-N 431.558 2.574 0 40 IFAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 139017817 NUQGJMKQDCDEJV-UHFFFAOYSA-N 427.457 2.944 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NCC(C)C)cc1OC 217488902 DMCCUOIDEDGYMH-UHFFFAOYSA-N 436.530 2.991 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 223353023 KDIRISSNDMVANB-NSHDSACASA-N 430.577 2.840 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223562442 APKKRJJPYLOIDB-IBGZPJMESA-N 445.585 2.623 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 223679379 JLVCNFLUBSFYAB-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(CN3CCCC3)c2)Oc2ccccc21 224617210 PQTKDOWCXRNMMZ-QFIPXVFZSA-N 443.569 2.516 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225487002 DDBKIOKFUKTPME-UHFFFAOYSA-N 442.516 2.729 0 40 IFAB CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(C)ccc1C 225934546 YJVKFBRVOSCNQS-UHFFFAOYSA-N 429.586 2.658 0 40 IFAB CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)[C@@](F)(Cc3ccccc3)NC(C)=O)C2)n1 257320935 VZIYFNMOUQCAFQ-XZOQPEGZSA-N 427.524 2.751 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 260903964 YZLQMPJUHHOGQI-CYBMUJFWSA-N 433.555 2.956 0 40 IFAB O=S1(=O)c2ccccc2O[C@]2(CCN(Cc3ccccn3)C2)CN1Cc1ccccn1 306143091 XTERSULCTFKIQK-QHCPKHFHSA-N 436.537 2.705 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1Cl 408581658 AAFGCWQOJRFUMT-LLVKDONJSA-N 425.894 2.613 0 40 IFAB COC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408637267 ZDSRMQZGVKVPSE-OAHLLOKOSA-N 440.949 2.691 0 40 IFAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 408709519 CFTGETBZEYUUTH-UHFFFAOYSA-N 445.475 2.909 0 40 IFAB COc1cc2c(cc1OC)[C@H](NC(=O)CCN1C(=O)C[C@@](C)(c3ccccc3)C1=O)CC2 524733826 STLLMGUWLRXQDC-CLOONOSVSA-N 436.508 2.914 0 40 IFAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1cc(CC(C)C)no1)O[C@@H](C(C)C)C(=O)N2 585281222 HFWXIQSOYQPRSD-SFHVURJKSA-N 435.502 2.656 0 40 IFAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 813805 PVHWKTNQXNTHFK-UHFFFAOYSA-N 437.905 2.572 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 1289441 PBKSRLYKBHEHNE-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1 1330904 JYAKBLGSTXUDIV-UHFFFAOYSA-N 436.859 2.833 0 40 IFAB CCc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 2240569 QLPKCFGLFIVAKF-UHFFFAOYSA-N 440.569 2.810 0 40 IFAB Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccccc1Cl 8973532 NNULSLSYZHCFKO-UHFFFAOYSA-N 440.935 2.586 0 40 IFAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(F)cc2)cc1 9126740 NMDXYDVAQHJFNI-UHFFFAOYSA-N 433.443 2.880 0 40 IFAB CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCSc1ccccc1 9253265 BEBVMXYSLCDHGQ-KRWDZBQOSA-N 449.623 2.755 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288716 ISLQNCGHQVXTFC-CABCVRRESA-N 433.505 2.894 0 40 IFAB CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 9448129 RWHQZHUKGXGWCR-LPHOPBHVSA-N 443.544 2.748 0 40 IFAB CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)Oc1ccccc1 9501923 UWTQEHGXDSUCSJ-SFHVURJKSA-N 438.933 2.950 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2I)cc1 9530898 PRHHIZPXSDCTKY-UHFFFAOYSA-N 439.205 2.873 0 40 IFAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccc(F)cc2)CC1 9805762 NTBGXJKISKJGEP-UHFFFAOYSA-N 442.510 2.742 0 40 IFAB COc1cc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC 9909873 MJSBOZYMHBSMJK-UHFFFAOYSA-N 442.921 2.797 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 10441832 ZJWGECGAGQQOJE-UHFFFAOYSA-N 448.497 2.777 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccccc1 10450038 XSLINLKQVSSYAI-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3cccc(F)c3)CC1)NC2=O 12086531 HOMWIRYWIBSCBL-VOIUYBSRSA-N 438.503 2.703 0 40 IFAB COc1ccc(C[C@H]2CC[C@H](CCC(=O)N[C@@H]3CN4[C@@H](C(=O)O)C(C)(C)S[C@H]34)O2)cc1 12296288 VDDXUGGVJSQYDR-AJGRXUDCSA-N 448.585 2.671 0 40 IFAB C=C(OCC)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 12391014 ZPJFWZFDTBFWIL-QGZVFWFLSA-N 437.500 2.832 0 40 IFAB O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12549580 KJDCSPSDWFRJDX-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB CSc1ncc(C(=O)O[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1-c1ccccc1 12813187 JVOBAMNMJPDYJL-GFCCVEGCSA-N 437.481 2.948 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12911904 YBMQRHVEEHPWMK-KBPBESRZSA-N 430.455 2.988 0 40 IFAB COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)C)c1ccc(C)cc1 13501423 FQAAIEJHROHWLY-QHCPKHFHSA-N 440.544 2.850 0 40 IFAB C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13700729 VWQLFZGCNBAKNW-HNNXBMFYSA-N 436.447 2.640 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 14247755 WZHYIHLVTGQEFG-JOCHJYFZSA-N 445.585 2.709 0 40 IFAB Cc1cccc(N2C[C@H](C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)CC2=O)c1C 19235545 OLIKQTUWANXIOD-LJQANCHMSA-N 444.539 2.891 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[nH]c(=O)c2C1 19239450 YBLZJYVMYQWYCS-UTKZUKDTSA-N 447.539 2.692 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(CC4=CCCOC4)C3)[nH]c(=O)c2C1 19342767 PIJHWPCLTKYWFK-KRWDZBQOSA-N 440.569 2.556 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2CC(=O)Nc2ccccc2F)n1 19709782 VFYCUXAFIRITGU-LJQANCHMSA-N 428.512 2.801 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760648 ZRJFMTDPFDBRMJ-QGZVFWFLSA-N 441.532 2.515 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F 20732844 VOVOQNHZKKWNCL-SUMWQHHRSA-N 442.463 2.779 0 40 IFAB COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 22416445 YKWAXNXZWVFNFZ-UHFFFAOYSA-N 435.322 2.865 0 40 IFAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1S(=O)(=O)N1CCCC1 22759635 SRPZHVQRPOPRLV-INIZCTEOSA-N 437.587 2.574 0 40 IFAB Cc1ccc(Cn2nc3n(C)c(=O)c4ccc(C(=O)NC5CCCCC5)cc4n3c2=O)cc1 23126053 OYRJRDSEVIKELW-UHFFFAOYSA-N 445.523 2.767 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 23806073 DTDBGYQUSAITSW-QHCPKHFHSA-N 441.484 2.594 0 40 IFAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 24984756 UHVMLKFNIWZAAX-BEFAXECRSA-N 430.530 2.777 0 40 IFAB COc1ccc(-c2noc(CN3CCN(C(=O)c4[nH]c5c(c4C)C(=O)CCC5)CC3)n2)cc1 25043573 BKPXMOMBFIZUDU-UHFFFAOYSA-N 449.511 2.859 0 40 IFAB CCOc1ccc(OCCNC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1 26283213 AROBBDIPQLFZHB-UHFFFAOYSA-N 440.544 2.866 0 40 IFAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29837419 OLEFACBZOUSONE-UHFFFAOYSA-N 431.323 2.888 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(O)c4ccc(Cl)cc4n3)CC2)cc1 30539427 HVMDFJBBKRFPCD-UHFFFAOYSA-N 432.933 2.804 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2 32616223 ADASVLAMHXJGKL-UHFFFAOYSA-N 435.871 2.554 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@@H]2CCCO2)NC(=O)N[C@@H]1C 32747089 HCUCHQZEOIBPPC-KGLIPLIRSA-N 434.514 2.633 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@@H](C)[C@H]4CCCC[C@H]43)=C2)c1 35339814 JPAGQUIAIQVZQO-XFQXTVEOSA-N 431.558 2.986 0 40 IFAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(Cc3ccccc3)CC1)cn2CC(=O)O 36359347 HGLBIXLLACTKGP-HSZRJFAPSA-N 437.496 2.678 0 40 IFAB COCCN(Cc1ccccn1)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 40157779 VAXJHOQVUDSLKI-UHFFFAOYSA-N 431.558 2.853 0 40 IFAB Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44853011 UQLRTJJNYVHYFN-IFXJQAMLSA-N 438.933 2.759 0 40 IFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)c(C)c1 48301093 HMBJDOBKMNCUCI-FQEVSTJZSA-N 435.528 2.770 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351405 PFYWUFYAWGTZQE-JOCHJYFZSA-N 430.508 2.743 0 40 IFAB COc1cc(NC2CCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc(OC)c1 79025639 OHIRDJRIRPLWGE-IIBYNOLFSA-N 432.565 2.985 0 40 IFAB CC(C)C(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96145875 QCNUJKNCRQZNLC-OALUTQOASA-N 429.542 2.681 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)CCCn3cnc4ccccc4c3=O)cc2n1 100138990 DCAXMLKZGCNZPA-LJQANCHMSA-N 432.484 2.597 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1Cl 224173779 KGFSUOZCGHPWRR-UHFFFAOYSA-N 432.876 2.888 0 40 IFAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224263889 PISJZBGWIBOWRP-FQEVSTJZSA-N 434.558 2.906 0 40 IFAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224263962 HDEKAGFFBMEJHY-OAQYLSRUSA-N 434.558 2.906 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(F)cc3)CC2)cc1 224352490 XDIJMDSVOCMRFE-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n[nH]c1=O 225550586 NONBFUWHAXMJAB-UHFFFAOYSA-N 448.495 2.791 0 40 IFAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NCc1cccnc1 225837853 RAPJEWCLKBIGLZ-UHFFFAOYSA-N 434.237 2.985 0 40 IFAB Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1-c1ccccc1 238831758 GBRARNWBQQQSOE-UHFFFAOYSA-N 426.542 2.847 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257239467 HPJJPKQOFVJNAF-QGZVFWFLSA-N 428.876 2.935 0 40 IFAB COCCN1CC[C@]2(CN(Cc3ccccc3OC)C[C@H]2c2cn(C(C)C)cn2)C1=O 306134212 NFUIVPCLJXCOLW-GBXCKJPGSA-N 426.561 2.937 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCCO2 409205008 NARQBWFSQYXHFU-QGMBQPNBSA-N 440.433 2.862 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 409352853 YZEVTGPHNDNMDL-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB CN1c2ccc(F)cc2N(CCNC(=O)Cc2cccc(C(F)(F)F)c2)S1(=O)=O 575610815 BOSGGPFXMWFWHC-UHFFFAOYSA-N 431.411 2.704 0 40 IFAB COc1ccc(OC)c(CC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1 585169003 JLTDJZUGVRSWST-HSZRJFAPSA-N 445.519 2.878 0 40 IFAB C[C@]1(c2cccc(C(=O)N3CCc4c(F)ccc(Br)c4C3)c2)NC(=O)NC1=O 1625367868 DCHYVUCCIXNHCC-HXUWFJFHSA-N 446.276 2.841 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 3328642 RWGXKNDZSFKDEH-LSDHHAIUSA-N 427.588 2.701 0 40 IFAB CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCCC1 6501338 VADRWEWOOFPFBA-OAHLLOKOSA-N 435.594 2.827 0 40 IFAB COc1ccc(OC)c2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc12 8673544 KWJITWTVWHAMLI-GOSISDBHSA-N 441.509 2.802 0 40 IFAB CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)cc1 8755218 CWDROKUXKSTAMV-UHFFFAOYSA-N 449.554 2.961 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 8854800 FFNOISLMCFDMHP-VOMPUTFMSA-N 438.480 2.643 0 40 IFAB CC(C)c1ccc(-n2ccnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1 8901017 POVMVZDTNYLZNG-UHFFFAOYSA-N 425.514 2.738 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1Nc1nc2ccccc2nc1NS(C)(=O)=O 9450232 DCKJDZVLSRLLNO-UHFFFAOYSA-N 432.458 2.549 0 40 IFAB Cn1c(=O)c2c(nc3n(Cc4ccco4)c(C45CC6CC(CC(C6)C4)C5)cn23)n(C)c1=O 9461768 ZGRFFCOGZNAFQD-UHFFFAOYSA-N 433.512 2.796 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1 9526760 JHPOZFWHJUOUJO-UHFFFAOYSA-N 448.523 2.521 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCC3)C(C)C)c1 9544536 IJSUJUQWQYFMDO-SFHVURJKSA-N 445.541 2.746 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C)o3)CC2)cc1OC 9639270 RLLXINXTPXINQF-UHFFFAOYSA-N 436.530 2.665 0 40 IFAB Nc1nc(COC(=O)CCNC(=O)c2ccc(Cl)cc2)nc(Nc2ccccc2)n1 9670711 YVXZWPHUAKDPSQ-UHFFFAOYSA-N 426.864 2.714 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3F)cc2C1=O 9700299 YXXFROIDTBULDE-UHFFFAOYSA-N 448.834 2.907 0 40 IFAB Cc1cc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)ccc1Br 10833766 JLAQBCQFPKAHQZ-HNNXBMFYSA-N 441.347 2.978 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1OC 11694066 DMSWMTXIDCIBHS-UHFFFAOYSA-N 437.496 2.739 0 40 IFAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 11834822 TZBPECAYRZJJPF-JKSUJKDBSA-N 432.517 2.780 0 40 IFAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)CSCc2ccccc2)c1=O 12072161 HNEWYBDXTYIECL-UHFFFAOYSA-N 447.564 2.999 0 40 IFAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cccc(Cl)c2Cl)=C1 12155179 NDTJWTQANQPNLJ-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB C[C@@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CC(=O)c4ccccc4)c(=O)n3C)n2C1 12289052 SXTMUBYTCCVSBW-MRXNPFEDSA-N 435.528 2.568 0 40 IFAB CCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12293053 JZJCNYVRGHXFMT-IBGZPJMESA-N 439.537 2.512 0 40 IFAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cccc(I)c1 12758010 GBDKCJHAROARKR-SFHVURJKSA-N 436.293 2.922 0 40 IFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccc2F)CC1 12788987 UMGCYZAOLWOEEL-UHFFFAOYSA-N 434.397 2.847 0 40 IFAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C 12814052 JNEFCWHHLJGQPM-OAQYLSRUSA-N 437.540 2.609 0 40 IFAB COCc1c(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)sc2cccc(F)c12 12930411 IMROPKDSYZRQPG-UHFFFAOYSA-N 446.504 2.880 0 40 IFAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 12980620 SJHKOJYBROGBHS-UHFFFAOYSA-N 432.590 2.726 0 40 IFAB COc1ccc(-c2cc(NC(=O)COc3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 13720052 NFIBRJLIKKVKIG-QGZVFWFLSA-N 441.509 2.936 0 40 IFAB COc1ccc(OC)c(-n2c(O)c([C@H]3OCc4cnc(C)c(O)c43)c(=O)[nH]c2=S)c1 13777508 JJQYWEPNOFPRIG-KRWDZBQOSA-N 429.454 2.647 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 14084174 OHMOBYKZEFRTSV-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB COCCn1/c(=N\C(=O)c2ccccc2S(C)(=O)=O)sc2cc(F)cc(F)c21 16689660 WWHJCKRDOXBLDQ-DYTRJAOYSA-N 426.466 2.772 0 40 IFAB COc1cccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 16742498 VJPCELBSBWVQAO-KRWDZBQOSA-N 449.525 2.551 0 40 IFAB O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 16941414 FUHORYXMCREXLF-QPJJXVBHSA-N 437.559 2.967 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)C4CCCCC4)nn3c(O)c2C1 19017924 YAICQNGGNNTRTP-FQEVSTJZSA-N 425.533 2.973 0 40 IFAB O=C(Cn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19406045 CYBWXFGGUIBGGP-NRFANRHFSA-N 438.576 2.659 0 40 IFAB Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1CCCN1CCOCC1 19939341 FWEXZWAZXGJXDP-UHFFFAOYSA-N 444.539 2.819 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 20150888 GOVUQBBUCNXHLN-DVSDUFGPSA-N 428.510 2.837 0 40 IFAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1 20193794 LNYKBMLTQLMOHG-UHFFFAOYSA-N 449.533 2.651 0 40 IFAB CCOc1ccc(S(=O)(=O)NCc2nnc3n2-c2ccccc2CC3)cc1OCC 24751381 AMRROPFAWPJGBR-UHFFFAOYSA-N 428.514 2.642 0 40 IFAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccccc4)CC3)c2c1 32095583 WWWNDCAVGYSTGI-UPWIVDSGSA-N 448.479 2.695 0 40 IFAB Cc1nc(C2(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CCCC2)no1 32901910 DDRPLUMFUYDAOF-UHFFFAOYSA-N 436.509 2.504 0 40 IFAB CCOc1ccc([C@@H](c2nnnn2CCOC)N2CCN(c3ccccc3F)CC2)cc1 35289844 YQJHHYDWVCFKCB-QFIPXVFZSA-N 440.523 2.769 0 40 IFAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 44900229 DZOVKESHGXAYFM-LJQANCHMSA-N 448.541 2.821 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 44905672 OCFWRHYDASUPNW-VFNWGFHPSA-N 448.541 2.888 0 40 IFAB Cc1cccc2cc(CN(Cc3ccco3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c12 57607260 TVJZVMLIILIZGC-FQEVSTJZSA-N 434.500 2.797 0 40 IFAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 70640266 QGDMSIPIMSSXPI-QGZVFWFLSA-N 435.402 2.621 0 40 IFAB O=C(C[C@@H](CN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)O)Nc1cccc(O)c1 71282840 IVTUGQKEHDXXIJ-KRWDZBQOSA-N 431.920 2.893 0 40 IFAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(OC)c(OC)c4)c3)nc2)n1 71768345 FQLKWPIMUWXGLB-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB O=C(CN1CCN(CCn2ccnc2-c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 77159463 HSTCJBDBVLYIAK-UHFFFAOYSA-N 433.512 2.535 0 40 IFAB Cn1cc([C@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CCO2)cn1 79050492 YZBNAKVTMGSBDM-OAQYLSRUSA-N 438.459 2.790 0 40 IFAB CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 219284650 WFAIGJJPGJFXJD-QGZVFWFLSA-N 444.962 2.996 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)n1 223221157 DGYUJLYUIZZURR-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223329492 PNDRKZMCCBFXNT-QFIPXVFZSA-N 445.585 2.564 0 40 IFAB CN([C@@H](C(=O)NCc1nc(-c2ccccc2Cl)no1)c1ccccc1)S(C)(=O)=O 225760680 DLABWRJZUYJQDX-QGZVFWFLSA-N 434.905 2.639 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)C(C)C)C3)nn2c(C)c1CCC(=O)NCc1ccncc1 257202727 ANBUHRIFENKXLX-FQEVSTJZSA-N 448.571 2.962 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NCc1ccccn1 257251648 JROSJXRLWFVQNG-LJQANCHMSA-N 446.555 2.716 0 40 IFAB Cc1ncc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c(C)n1 257298742 RNCRVQHLEAJWBF-OAQYLSRUSA-N 443.454 2.930 0 40 IFAB CC(=O)N[C@](F)(Cc1ccccc1)C(=O)N1CCC[C@](C)(c2cc(N(C)C)nc(C)n2)C1 257300914 RWFKZPGLJVQJAV-BJKOFHAPSA-N 441.551 2.776 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC 260798509 UGINVHOILSEJOX-KRWDZBQOSA-N 448.541 2.743 0 40 IFAB CCC(=O)N1CC[C@]2(C1)CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1O2 306137681 RDBDKHNOQAJULO-QFIPXVFZSA-N 430.526 2.660 0 40 IFAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408605119 MQYQQYQHOSMDDM-QHCPKHFHSA-N 438.549 2.944 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2OC)cc1 408660582 AZSOFAVHBZXPHK-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H](CCSC)n2c(O)nc3ccccc3c2=O)sc1C 524734045 QKBOGKQNMIQSFS-ZDUSSCGKSA-N 448.526 2.587 0 40 IFAB Cn1cc(C2CCN(S(=O)(=O)c3ccc(CCNC(=O)C(C)(C)C)s3)CC2)cn1 530426139 BNFCPHLXVOQCNU-UHFFFAOYSA-N 438.619 2.755 0 40 IFAB O=C1C[C@H](Cc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(-c5ccccc5)n4)C3)cc2)C(=O)N1 537552285 WMPZQUKEJIEQAK-UXHICEINSA-N 443.507 2.697 0 40 IFAB C[C@@]1(c2cccc(CNC(=O)N[C@@H]3CC4(CCC4)Oc4ccccc43)c2)NC(=O)NC1=O 1119599349 GODCQFLPTMAYEJ-JPYJTQIMSA-N 434.496 2.987 0 40 IFAB COc1cccc(CN2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)c1 2055718130 WXQSKSIYLNGLQL-OFVILXPXSA-N 435.572 2.730 0 40 IFAB CC(=O)Oc1ccc(-c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1 3217141 ZBSHLSRVVBPSSW-UHFFFAOYSA-N 438.505 2.899 0 40 IFAB NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(Cl)cc1Cl 3363214 QIRIKBBHVOTRHV-UHFFFAOYSA-N 439.223 2.715 0 40 IFAB COC(=O)c1cc(NC(=O)CSc2nc(-c3ccccc3)cn2N)cc(C(=O)OC)c1 3431712 ULFIHLZSUFISQZ-UHFFFAOYSA-N 440.481 2.568 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3621751 WBWDNUBOMCYLKM-UHFFFAOYSA-N 442.537 2.997 0 40 IFAB CCN1CCN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)CC1 6325879 WPWAXSHFVRZVNX-UHFFFAOYSA-N 429.586 2.971 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1 9063778 AIEKLSHUGZIFRV-UHFFFAOYSA-N 432.498 2.893 0 40 IFAB Nc1cc(N)nc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 9353464 ZJLAIYLYQYHUDV-UHFFFAOYSA-N 429.527 2.799 0 40 IFAB CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)C(=O)N(Cc1ccncc1)c1ccc(C)cc12 9422471 WRZPCAAAGNIJAV-QFIPXVFZSA-N 437.525 2.872 0 40 IFAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3S[C@@H]3CCS(=O)(=O)C3)cc2NC1=O 9496974 FVTIFIZABXLVIS-TZMCWYRMSA-N 432.523 2.938 0 40 IFAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 9882835 UNUVOTWCJSZFFM-CYBMUJFWSA-N 431.543 2.573 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)NCc2ccc(Cl)cc2)c1 9963506 BYTFBBMJYNQBNH-UHFFFAOYSA-N 445.932 2.884 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1OC 11666419 PWLQDLNPCUNVCE-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F 11858294 OBXWBBJXSFZZSQ-UHFFFAOYSA-N 448.444 2.881 0 40 IFAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 12525778 ANMYXRVISZUENA-UHFFFAOYSA-N 441.553 2.799 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C1=O)OCO2 12748825 ZMCLWZPEOMUIDY-XMMPIXPASA-N 449.463 2.512 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 12789451 UWVSJIFGXJMCKR-OAHLLOKOSA-N 429.542 2.670 0 40 IFAB COC(=O)C1=C(CSc2nc(C)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 12822519 HFJYQXZPTCTGMK-SFHVURJKSA-N 425.514 2.815 0 40 IFAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 13075438 PLMLFDNTFWGOJH-INIZCTEOSA-N 446.525 2.663 0 40 IFAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2F)C1=O 13163608 CHITZSPEHDKAJW-QFIPXVFZSA-N 427.432 2.529 0 40 IFAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 13361635 CVQRHMLKWFJPEG-NWAOMFBRSA-N 448.544 2.982 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 13495979 PHJSTPGDPLWRKY-OAQYLSRUSA-N 440.548 2.974 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C(=O)N1CCCCC1 13670633 YMWDZZZLSHUAHN-UHFFFAOYSA-N 437.606 2.722 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2Cl)ccc1OC 13677819 KEKOKTUIFITFMY-UHFFFAOYSA-N 426.878 2.686 0 40 IFAB CCCn1c(CCC(=O)Nc2ccn(C)n2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 14899669 RNEPNGNEEOMXQT-UHFFFAOYSA-N 444.561 2.536 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 15501659 CULDUBJKXBOAAS-UHFFFAOYSA-N 446.525 2.917 0 40 IFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 16829224 UBVAQVXZGGMFFM-FQEVSTJZSA-N 449.473 2.933 0 40 IFAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 17597490 RGBGDDZRUGVPKT-UHFFFAOYSA-N 437.496 2.723 0 40 IFAB O=C(NCC1CCCCC1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)no1 19339931 SPQXVOYSUJTNTK-QGZVFWFLSA-N 432.546 2.948 0 40 IFAB O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349305 YAFLMMLRJIBBCA-OAQYLSRUSA-N 433.487 2.840 0 40 IFAB COCc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)o1 19449994 HBRBNHKAIMVPMT-NHCUHLMSSA-N 441.576 2.947 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(CC(=O)OC4CCCCC4)CC3)c(=O)c2c1C 19561483 VFZQFUXIDNUDIF-UHFFFAOYSA-N 433.574 2.778 0 40 IFAB Cc1nc(C2CCN(C(=O)C(C)(C)O)CC2)nc2c1CCC(=O)N2CCc1ccccc1 19695692 SRSMHGHHHDCJLH-UHFFFAOYSA-N 436.556 2.784 0 40 IFAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 19859173 WOQQDGKLOSGFNC-UHFFFAOYSA-N 431.533 2.707 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22331298 HZKKGCGZTGZPGI-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCN(CCc2ccccc2)CC1 22475986 PVNNBAFHBDZWDO-UHFFFAOYSA-N 446.477 2.689 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccc(F)c(F)c2)c2sc3nc(C)nn3c2O)CC1 22627007 ANRKDTDVOUBZPI-HNNXBMFYSA-N 437.472 2.947 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3cccs3)CC2)c1 23735235 BQSBVJXTSYJUCY-UHFFFAOYSA-N 427.979 2.610 0 40 IFAB COc1cc(CCNC(=O)Cc2csc(N3CCCC3=O)n2)ccc1OC(F)F 23953260 OETCNQPWYRWUPE-UHFFFAOYSA-N 425.457 2.781 0 40 IFAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H](Cc1ccccc1)n1cnnn1 25829558 ULYDESHBMYSVBA-OAHLLOKOSA-N 439.829 2.752 0 40 IFAB Cn1c(=O)c2cc(C(=O)N(CCc3cccs3)Cc3cccs3)cnc2n(C)c1=O 25847969 KTDKWOLDKOVVCQ-UHFFFAOYSA-N 440.550 2.640 0 40 IFAB CN(C)C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)CC1 25956185 XNFWSUFRQBORIX-UHFFFAOYSA-N 446.910 2.577 0 40 IFAB O=C(c1cc(S(=O)(=O)Oc2ccc(I)cc2)c[nH]1)N1CCCC1 27943903 OPAPROSLVSIOCQ-UHFFFAOYSA-N 446.266 2.623 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 31556306 LGWTYDVLIRPARE-UHFFFAOYSA-N 443.504 2.511 0 40 IFAB COc1ccc2c(c1)CCN(C(=O)c1cc(-c3ccco3)n([C@@H]3CCS(=O)(=O)C3)n1)C2 36708437 ZIVCYEMLJQXMAF-QGZVFWFLSA-N 441.509 2.710 0 40 IFAB CCCCCN(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 37183504 ZZMYHIRVXIGZSD-OKZBNKHCSA-N 435.613 2.856 0 40 IFAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)o1 40111858 KOLPSAVSAOBFRU-UHFFFAOYSA-N 447.444 2.840 0 40 IFAB CCn1nc(-c2ccc(C)c(S(=O)(=O)NCc3cccnc3)c2)c2c(c1=O)CCCC2 46027527 QQNMXYIINJBNKS-UHFFFAOYSA-N 438.553 2.991 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CN2Cc3ccccc3-c3ccccc3C2)cc1 70017538 GHLLUGZGUNGMLW-UHFFFAOYSA-N 435.549 2.676 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cnc(N)nc2C)C1 72352467 AHZYDIPNOGREMU-CQSZACIVSA-N 439.541 2.588 0 40 IFAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4cnn(C)c4)nc32)c1 72371919 KZWKMAUGUJOQRP-HXUWFJFHSA-N 446.511 2.594 0 40 IFAB COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1CCc1ccccc1 72402710 VGTWNPYJMPIUCI-UHFFFAOYSA-N 440.529 3.000 0 40 IFAB COc1cc(COCC2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc(OC)c1 77191455 KAJVOCHSKAVWSX-UHFFFAOYSA-N 441.528 2.670 0 40 IFAB COc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1S(=O)(=O)NC1CCCC1 78963805 ALEBBIJUCOATOU-UHFFFAOYSA-N 446.504 2.862 0 40 IFAB CC[C@@](C)(CNC(=O)COCCc1ccccc1)NC(=O)COCCc1ccccc1 79056109 UAJJURPTKBALJR-VWLOTQADSA-N 426.557 2.906 0 40 IFAB CS(=O)(=O)CCn1cccc(NC(=O)CCCOc2cccc3ccccc23)c1=O 95976528 CUSQRQVXOHLLEN-UHFFFAOYSA-N 428.510 2.844 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 96232442 ROXQNNLVHLOEAT-LZMFZKJZSA-N 446.551 2.745 0 40 IFAB CN(C)C(=S)/N=c1/ss/c(=N\S(=O)(=O)c2ccccc2)n1-c1ccccc1 104276742 DDYHZFMYFSEZGK-KZTQHSAISA-N 436.609 2.637 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 106015603 HIRQDSRUPIDXSW-HSSOGYSNSA-N 434.279 2.893 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)C2=O 110539586 FYBNOXKYJXCUMG-AQKDONEWSA-N 429.517 2.772 0 40 IFAB NC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 113937499 CBSABZMWKREHHS-UHFFFAOYSA-N 427.457 2.759 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1C 220337935 IKCVADNZMRKALJ-OAHLLOKOSA-N 434.514 2.892 0 40 IFAB COc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1 224381037 BZVQOAPJSIPGQR-UHFFFAOYSA-N 430.577 2.700 0 40 IFAB CN(C)c1ncc(CN2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)cn1 257231344 GGGXRQIMSXBMOQ-JOCHJYFZSA-N 440.523 2.610 0 40 IFAB O=C1N[C@@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@@H]2CCCCCOc2ccccc21 257303837 SIYBFTUZPVLHHI-PZJWPPBQSA-N 441.572 2.989 0 40 IFAB Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1-c1ccco1 575616478 ZPXWPJIKYNDFLU-UHFFFAOYSA-N 442.541 2.974 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OC(=O)N(C(C)(C)C)C4=O)cc2)co1 1889074446 XJGJGZFDRJMHJD-UHFFFAOYSA-N 447.513 2.951 0 40 IFAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)cc1 662348 YJSZHJSOYUSEAM-SFHVURJKSA-N 440.525 2.577 0 40 IFAB CCNC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 1466144 KCIVYTMGRDNTQF-GFCCVEGCSA-N 425.510 3.000 0 40 IFAB COc1ccc(CCN2CC(=O)N3CCCC(c4cc(O)ccc4O)=C3C2=O)cc1OC 2098902 ROCAULGGQCQUSF-UHFFFAOYSA-N 438.480 2.533 0 40 IFAB biogenic COc1cc(C2=NO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc(OC)c1OC 4904519 UQTYFSAXXQYGND-NRFANRHFSA-N 425.485 2.554 0 40 IFAB COc1cc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O 6001868 BTKOYJYYQNYTMG-LJQANCHMSA-N 426.377 2.693 0 40 IFAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2=O)cc1 8816457 IEAJXYLFATVKQL-OAHLLOKOSA-N 445.541 2.764 0 40 IFAB COc1ccc(C2=NN(C(=O)Cn3nnc4ccccc4c3=O)[C@@H](c3ccco3)C2)cc1 8896041 YOTZLZUXJVRKOM-HXUWFJFHSA-N 429.436 2.771 0 40 IFAB CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 8924004 QRLGQGUMIOZWTK-DNVCBOLYSA-N 429.498 2.540 0 40 IFAB C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1nnc2ccccc2c1=O 9187839 RXGHAXZUNMWUQI-AWEZNQCLSA-N 431.418 2.720 0 40 IFAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9219050 RBQHIMIQGNDOKG-OAQYLSRUSA-N 431.558 2.804 0 40 IFAB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 9631800 MVPLDNYPDONPCL-MRXNPFEDSA-N 437.974 2.817 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 9754134 CCYUDFAXLCSXPT-UHFFFAOYSA-N 447.601 2.789 0 40 IFAB COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1cc(OC)cc(OC)c1 9934316 NLXYBYSMVNMXGT-FQEVSTJZSA-N 441.484 2.825 0 40 IFAB COc1ccc(N(CCCC(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1Cl 10333260 CBTIULUZTVCIPY-UHFFFAOYSA-N 439.921 2.632 0 40 IFAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC[C@@H]3c3cccnc3)CC2)Nc2ccccc21 12085888 WXRKTCCSSNTSOU-PXDATVDWSA-N 447.539 2.700 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2O1 12549773 WXZKFZYJZLRXEY-BEFAXECRSA-N 436.537 2.755 0 40 IFAB COc1ccc(-c2nc(C)c(C(=O)NCCNC(=O)c3ccncc3)s2)cc1OC 13720363 WYNQPVSIZYYSDJ-UHFFFAOYSA-N 426.498 2.691 0 40 IFAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)C1=O 13723087 GFMRXEUVXNNXHD-UHFFFAOYSA-N 434.539 2.531 0 40 IFAB COc1ccc(N(C(C)=O)C2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 14010947 IISKVXNHYKMVPE-JOCHJYFZSA-N 439.487 2.984 0 40 IFAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCC2 16916876 WUPVMYGYDYUPBO-UHFFFAOYSA-N 433.555 2.633 0 40 IFAB COCCN1C[C@H](c2cc(N(C)C)nc(C3CCN(C(=O)CC(C)(C)C)CC3)n2)CC1=O 19697490 YBBOEXJRRJSKFG-GOSISDBHSA-N 445.608 2.647 0 40 IFAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNC(=O)c3cc4ccccc4o3)n2)CC1 19709120 CNFCDEWTUFFDRU-UHFFFAOYSA-N 437.544 2.847 0 40 IFAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](NC(=O)C1CCCC1)C2 19749641 DIQZNULDTUBWLK-FQEVSTJZSA-N 444.601 2.631 0 40 IFAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)c3cc(-c4cccc(OC)c4)n[nH]3)C2)nc1C 19763659 WXFALJIMMIQLJS-MRXNPFEDSA-N 434.500 2.563 0 40 IFAB COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4cnccn4)CC3)nc2C)cc1 19764203 GGLWOANTLSDDKA-UHFFFAOYSA-N 432.484 2.856 0 40 IFAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)cc1 19765937 VSYUSPQDYOFVJZ-GOSISDBHSA-N 436.556 2.954 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1OC 20455649 QPBIMDBTLUMQBU-UHFFFAOYSA-N 446.569 2.870 0 40 IFAB CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc2c(c1)CCC2 21713786 LGDLOJXCGLPZGS-UHFFFAOYSA-N 443.507 2.555 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCN(Cc3cccs3)CC2)c1 23882702 KIAGYOPZIBUDKW-UHFFFAOYSA-N 428.587 2.777 0 40 IFAB CC(=O)c1cc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)oc1C 24282016 HYFWDMSXEKXXDH-UHFFFAOYSA-N 434.514 2.691 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)ccc1Cl 30938963 ICDTXQVCYHMNAQ-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c(C(=O)OCC)c1C 32522504 QYIZRTZZFAKQGY-UHFFFAOYSA-N 439.515 2.532 0 40 IFAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 32668408 CBKOXNNZOZDDOO-HNNXBMFYSA-N 440.481 2.752 0 40 IFAB CCN1CCC[C@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 36594929 MMCQWVLEAZAZPW-WBVHZDCISA-N 425.558 2.806 0 40 IFAB COc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)cc1 41078134 JBELQIPHCRAUTQ-UHFFFAOYSA-N 436.493 2.830 0 40 IFAB COc1ccc(NC(=O)Cn2nc3ccc(C(=O)Nc4cccc(C)c4)cn3c2=O)cc1 48986723 GUYZKZJTZUZXRI-UHFFFAOYSA-N 431.452 2.704 0 40 IFAB O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)NCc1ccco1 67255322 HDIWEKFLDKWMPU-UHFFFAOYSA-N 429.889 2.746 0 40 IFAB CSc1nnnn1-c1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 69458974 BDKBRBBEDUUDKO-GOSISDBHSA-N 425.518 2.992 0 40 IFAB CC(=O)c1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4F)c(N)n3)CC2)cc1 71772288 ABGZYOYXMFOGLA-UHFFFAOYSA-N 448.502 2.657 0 40 IFAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4cccnc4)[C@@H]3CO)cc2)cc1 72321224 RQSYOWICZZZKDC-ISKFKSNPSA-N 447.491 2.804 0 40 IFAB biogenic,in-vitro COc1ccc2c(c1)NC1(CCN(C(=O)c3nccc4ccccc34)CC1)NS2(=O)=O 72327975 DMGYJQWEUMKQFO-UHFFFAOYSA-N 438.509 2.580 0 40 IFAB Cc1n[nH]cc1CCCNC(=O)[C@H](C)CNC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 95397407 FPRMZBHGRLTGSS-VBROQKIQSA-N 446.935 2.657 0 40 IFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@]1(CC(O)=N2)C(=O)N(C)c2ccc(Cl)cc21 95472103 BGSKGSILFZDUST-FQEVSTJZSA-N 434.847 2.755 0 40 IFAB CC(C)CN1Cc2c(C(=O)N(C)Cc3ccccn3)ncn2-c2ccccc2S1(=O)=O 96266157 VMLLZVGVNXPSBF-UHFFFAOYSA-N 439.541 2.700 0 40 IFAB COc1cc(CC(=O)N2CCC[C@H]2c2cc3nc(C)cc(O)n3n2)cc(OC)c1OC 100138882 IWOXVCPLIKDEKZ-INIZCTEOSA-N 426.473 2.675 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCN4C(=O)c4ccccc4F)nn3c(O)c2C1 100234862 KPXCIZOKBNLGHI-HXUWFJFHSA-N 449.486 2.846 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(C)ccc1C 222899103 DXWBVQOFRHTQBY-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cccc(F)c1)S(C)(=O)=O 224627530 PQLYLWVAAZFABV-KRWDZBQOSA-N 434.533 2.845 0 40 IFAB Cc1noc(-c2cccn3c(CNS(=O)(=O)c4cccc(C(F)(F)F)c4)nnc23)n1 225749846 BXUGYVSAENQESM-UHFFFAOYSA-N 438.391 2.585 0 40 IFAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC1)CC2=O 225820199 BFZXNIQLEFNXPO-UHFFFAOYSA-N 445.493 2.655 0 40 IFAB COCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1 225898973 UEBPJDBCYGPKDO-UHFFFAOYSA-N 439.570 2.871 0 40 IFAB NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 408962628 IOJVXDCYYADRSQ-SXGWCWSVSA-N 445.884 2.879 0 40 IFAB COc1cc2c(cc1OC)[C@H](NC(=O)Cn1ccc3c(NS(C)(=O)=O)cccc31)CC2 524732421 BJCAJOFFEYYRAR-QGZVFWFLSA-N 443.525 2.834 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)n2)cc1 524733432 RFIFEWSAFWBPFS-FQEVSTJZSA-N 435.480 2.740 0 40 IFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 575425987 JZXDTSLVMQMDPI-CQSZACIVSA-N 427.887 2.544 0 40 IFAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1Br 585147719 UKBWCINRXHCWRQ-UHFFFAOYSA-N 436.331 2.913 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 1372351 QYSIVRNRNANAKR-UHFFFAOYSA-N 434.525 2.635 0 40 IFAB CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 2354703 FFADTDSXGQGXDF-UHFFFAOYSA-N 433.915 2.506 0 40 IFAB C[C@@H](Oc1nncc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3352966 CKXPXJNBIBVRJP-OAHLLOKOSA-N 426.498 2.820 0 40 IFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 6232641 DYPWYALADNLMHN-PAURTPPISA-N 433.379 2.920 0 40 IFAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)cc1 8754960 NEVMKMHAZZKIFF-UHFFFAOYSA-N 435.527 2.571 0 40 IFAB COc1cc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1NC(C)=O 8986882 VATIDQUMGAQEAV-SFHVURJKSA-N 432.498 2.951 0 40 IFAB COc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)CCC(=O)O 9060543 XSVKSSFUIFEXDZ-GOSISDBHSA-N 445.497 2.609 0 40 IFAB COc1ccc(CCNC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)cc1OC 9421781 XBXSRLZTRRDSGZ-UHFFFAOYSA-N 435.527 2.658 0 40 IFAB CC(C)n1nccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9502948 JPNYCGVARGGHKX-UHFFFAOYSA-N 448.545 2.665 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCCCO4)C2=O)cc1 9549191 PFKXDAGEFZAKKD-XMMPIXPASA-N 438.480 2.983 0 40 IFAB COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1S(=O)(=O)N1CCCC1 9669707 JIFAMMKEZKPVEJ-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NCCc2ccc3c(c2)OCCO3)c1 9689780 APZRTYFWPLGDLS-UHFFFAOYSA-N 425.514 2.501 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c23)cc1 9820819 ORKZXHYTTWCCJD-UHFFFAOYSA-N 446.463 2.755 0 40 IFAB COc1cc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1OC(F)F 10441550 FCGJBDJMBZIJPI-UHFFFAOYSA-N 440.468 2.939 0 40 IFAB COCCCN1C[C@@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12221129 AFSNSSHKWFCRGN-PXNSSMCTSA-N 437.544 2.553 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CC2 12292168 VIDGKUXEHFUWDZ-IBGZPJMESA-N 448.516 2.581 0 40 IFAB COc1cc2nc(CSCC(=O)N3CCc4ccccc4C3)[nH]c(=O)c2cc1OC 12322819 OTOWVWRXQNAXSZ-UHFFFAOYSA-N 425.510 2.758 0 40 IFAB Cc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C[C@H]2CCCO2)c(Cl)c1 12447169 NVUKXGTYJOCEHB-GFCCVEGCSA-N 433.921 2.991 0 40 IFAB biogenic,in-vitro O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1 12630390 TYKYSDKAXBECRW-UHFFFAOYSA-N 436.433 2.926 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 12801897 XQOXTHDQCBQUBE-UHFFFAOYSA-N 431.539 2.589 0 40 IFAB CCN1C[C@H](CN(C)C(=O)CCn2nc(-c3cccs3)oc2=O)Oc2ccccc21 12806541 UCVIJJDDROQGIC-HNNXBMFYSA-N 428.514 2.701 0 40 IFAB CN(C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCCCC1 12943415 RPNLALWFHONQKO-UHFFFAOYSA-N 425.570 2.607 0 40 IFAB O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1F 12981528 CPSIVLKSSJXOFR-UHFFFAOYSA-N 433.461 2.547 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 13114761 GKWJJDXJRWODEI-OAHLLOKOSA-N 447.461 2.986 0 40 IFAB Cc1cc(OCC(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc(C)c1Cl 13701080 KPDWFIKPFGMGQY-UHFFFAOYSA-N 440.935 3.000 0 40 IFAB COc1ccc(CCNC(=O)CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 15480358 SVSFDSCXNLVMQG-UHFFFAOYSA-N 432.908 2.738 0 40 IFAB COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)cc1 16954239 UDEIUNAREDGVHN-UHFFFAOYSA-N 445.527 2.682 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)c1 19692724 ZYLXKCGPVJCKJQ-NRFANRHFSA-N 448.527 2.839 0 40 IFAB COCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)CC3)CC1 19739402 QDBGCGNOUOYXND-UHFFFAOYSA-N 426.492 2.756 0 40 IFAB C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCC(NC(=O)c3ccc(F)cc3)CC1)C2=O 26651335 MGBTXWOJJFFUEO-HOTGVXAUSA-N 430.524 2.724 0 40 IFAB CCCn1ccnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 27574402 GEMGSABAAYUSAJ-UHFFFAOYSA-N 449.023 2.633 0 40 IFAB COc1cc(CCC(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc(OC)c1OC 29085291 MRJYGMNEDNHLKN-HXUWFJFHSA-N 428.529 2.835 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)sc2c1CCCC2 31557683 OEJNUCKFCGRSGC-MRXNPFEDSA-N 445.541 2.726 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC 33422914 SJZGIYKBHKHEHD-GOSISDBHSA-N 432.542 2.729 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 58161240 IMHOUFHUBGSIME-GOSISDBHSA-N 431.558 2.646 0 40 IFAB O=C(Oc1ccc(I)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 58393292 RQQUZVRUHRVWMH-UHFFFAOYSA-N 443.262 2.951 0 40 IFAB C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 72286676 GUJXRCHJXAGPQO-ADSBAMQRSA-N 428.602 2.893 0 40 IFAB NC(=O)C1(NCC(=O)Nc2ccc(Oc3ccc(Br)cc3)nc2)CCCC1 84419181 DZYBROWGNPCCIP-UHFFFAOYSA-N 433.306 2.963 0 40 IFAB CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 89289544 RKSATWYFJFMWHC-UHFFFAOYSA-N 437.512 2.781 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)O 95869646 OSLWPNZZCNJZTH-YSSFQJQWSA-N 428.485 2.845 0 40 IFAB O=C(c1ccncc1)N1CCc2c(O)nc([C@H]3CCCN3C(=O)C3[C@H]4CCCC[C@H]34)nc2C1 100238739 UGDAXLDIUINBEU-ABSDTBQOSA-N 447.539 2.875 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@H]3C2=O)c1 101277527 JRQRILOGTYYZQE-IAGOWNOFSA-N 438.831 2.892 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 115176004 ROBQYWANUNCPCX-MRXNPFEDSA-N 432.542 2.770 0 40 IFAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 207999601 BQAODTVBUJGQHU-BEFAXECRSA-N 436.443 2.854 0 40 IFAB CN(CCNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccccc1 218786686 ILPKYVAWCCGIGY-UHFFFAOYSA-N 443.613 2.914 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1 220283577 RDOLQESIHGLLRK-DLBZAZTESA-N 434.558 2.996 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1OC 222573800 AVCMHHRHAQCMRR-OAHLLOKOSA-N 436.505 2.907 0 40 IFAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)nc1 223129827 UWBMUORHGXIMDY-PKTZIBPZSA-N 448.596 2.880 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 223525464 IDVRVBUWNIBFRG-SFHVURJKSA-N 445.585 2.568 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 223683796 UUGVVRZRNGDEFF-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O 223856773 MCMOVFOQFYMSJX-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)cc1 224250288 KYOUAJVICVJNRC-UHFFFAOYSA-N 437.949 2.561 0 40 IFAB CN1CCC(CCNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)CC1 224417888 AKONSTFWOSUPCW-UHFFFAOYSA-N 429.586 2.969 0 40 IFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 240178585 ZBJUTCBTJDOQMQ-TZMCWYRMSA-N 443.978 2.886 0 40 IFAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)n2)s1 257220486 DLAUDXHTZYNVFN-INIZCTEOSA-N 444.561 2.542 0 40 IFAB O=C(NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1)c1cncc(O)c1 257275095 NNWMNCAKJFFQLI-MRXNPFEDSA-N 438.459 2.641 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2cccs2)cc1 257320418 VWSDTBUUMSICAL-GOSISDBHSA-N 444.582 2.829 0 40 IFAB COCCN1CC2(CCN(C(=O)c3ccc(C)o3)CC2)COc2ccccc2S1(=O)=O 306141555 WAMFLFDTFWYPEV-UHFFFAOYSA-N 448.541 2.540 0 40 IFAB O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1cc2cc(Cl)ccc2[nH]1 390826867 CKBYJPDFLXWINI-UHFFFAOYSA-N 434.847 2.955 0 40 IFAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408665693 VWLVXYQVCCIFRH-UHFFFAOYSA-N 426.425 2.576 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCCN(Cc5ccccc5)C4=O)CC3)n[nH]2)o1 501800135 QCRHOUTWQYNUMV-QFIPXVFZSA-N 447.539 2.927 0 40 IFAB CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 1464501 KIMHTUFULCKHRS-VBQJREDUSA-N 430.404 2.956 0 40 IFAB COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC[C@H]2CCCO2)cc1 6577021 MJYSTWGKSWLQEX-LJQANCHMSA-N 441.557 2.593 0 40 IFAB CCn1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c2ccccc2c1=O 9223850 NLAXIFNUYBXMHK-UHFFFAOYSA-N 428.495 2.682 0 40 IFAB COc1cccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 9253021 NNUFKMDFFDQSQE-JOCHJYFZSA-N 433.464 2.540 0 40 IFAB O=C(O)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 9259530 ILEBZRJHCWQZIX-SFQUDFHCSA-N 425.466 2.834 0 40 IFAB COCCn1c(SCc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc2c1=O 9500117 BBPGLHDVCLVISH-UHFFFAOYSA-N 433.555 2.586 0 40 IFAB COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 9708133 NYVKKJXKVUBGIO-JOCHJYFZSA-N 433.508 2.867 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 10231935 NWWRMXLTMXEFLQ-INIZCTEOSA-N 440.803 2.560 0 40 IFAB CCCCCN(CC(=O)N1CCc2sccc2C1)c1c(N)n(CCCC)c(=O)[nH]c1=O 11339526 OPIFQUNFJSTHMY-UHFFFAOYSA-N 447.605 2.562 0 40 IFAB COC(=O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)CC1 11829348 SQBWBZVGBORVPN-UHFFFAOYSA-N 431.558 2.946 0 40 IFAB Cc1csc2c([C@@H]3CCCN(C(=O)Cc4ccc(S(N)(=O)=O)cc4)C3)nc(C)n12 12087567 XDZKIZCXGULDAN-MRXNPFEDSA-N 432.571 2.609 0 40 IFAB COc1cc(C(=O)NCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc(OC)c1OC 12407720 VEUJHFMNONLTCT-UHFFFAOYSA-N 441.459 2.648 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)cc1 12507110 JNCOANOQIMQYII-SFHVURJKSA-N 443.935 2.924 0 40 IFAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2nn(C)c(=O)c3ccccc23)CC1 12537347 QSSIAPREFWKCBD-UHFFFAOYSA-N 445.445 2.956 0 40 IFAB O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1ccccc1=O 12630338 MGVIXAYLJZODOV-HSZRJFAPSA-N 433.483 2.756 0 40 IFAB Cc1c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 12916764 KTABXAUMWWYWOL-UHFFFAOYSA-N 436.537 2.747 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(-n4cncn4)cc3)C2)s1 12924027 RYVNEKZBYFJFOK-OAHLLOKOSA-N 431.543 2.677 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c1 13096575 APUHWSNGWKEISR-MRXNPFEDSA-N 437.345 2.783 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 13108285 OUNOWNHWBWMOGU-MRXNPFEDSA-N 432.542 2.908 0 40 IFAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sccc3C(N)=O)n2N)cc1 13121240 AVCLORJGRSUIFF-UHFFFAOYSA-N 430.559 2.848 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 14076514 RQAFZFQJTUXZKS-FQEVSTJZSA-N 449.916 2.642 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1OC)c1ccc2c(c1)OCO2 14399840 PZQTZTODYJPZJU-UHFFFAOYSA-N 426.878 2.872 0 40 IFAB O=C(Nc1cc(Cl)ccc1O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15085475 SXUVMBQOALBDRJ-UHFFFAOYSA-N 431.297 2.972 0 40 IFAB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024548 YGUKFBBBTVXVDY-CJXDPKRBSA-N 434.334 2.624 0 40 IFAB COCCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sccc1C(N)=O 16861717 LHOGJCDPVIGOAP-ZDUSSCGKSA-N 445.570 2.795 0 40 IFAB COCCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sccc1C(N)=O 16861718 LHOGJCDPVIGOAP-CYBMUJFWSA-N 445.570 2.795 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2N)cc1 19022284 VUYFNVIYFCUADD-KRWDZBQOSA-N 447.495 2.767 0 40 IFAB Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 19237088 OWPOJIQDJGSOTK-NRFANRHFSA-N 434.540 2.669 0 40 IFAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)c1cnn(-c2ccccc2)c1N 19583005 WTSPCUSLRQLZLY-NRFANRHFSA-N 447.539 2.882 0 40 IFAB COc1ccc2c(c1)C1=C([C@@H](c3cnn(C)c3C)O2)[C@@H](c2cnn(C)c2C)n2ncnc2N1 19640690 AJYGEGYIHBRYLL-FGZHOGPDSA-N 444.499 2.930 0 40 IFAB COc1ccc(CCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OC 20239294 QVLUQYOLRWSQAN-UHFFFAOYSA-N 442.537 2.982 0 40 IFAB O=c1c(-c2ccccc2CN2CCOCC2)ccc2n1C[C@H]1C[C@@H]2CN(C2CCOCC2)C1 20503644 WBBVXZADUWQBTA-RBBKRZOGSA-N 449.595 2.946 0 40 IFAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 20802407 FKYYWPSGGRGHAL-VQTJNVASSA-N 439.468 2.512 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2OC)n1N 21576091 WNZPJENHFMLCDT-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613292 KQFHCYBSNKNSEM-UHFFFAOYSA-N 434.961 2.952 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 25808028 YICWEQAQCALBFD-QHCPKHFHSA-N 441.484 2.898 0 40 IFAB S=C(NCCCN1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 26416598 HHXJDHWPPOVQFY-UHFFFAOYSA-N 431.631 2.529 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1C(N)=O 26761646 QITXNRIGQZCDLO-HNNXBMFYSA-N 444.582 2.771 0 40 IFAB CCOC(=O)c1c(NC(=O)CCCn2c(=O)oc3ccccc32)sc(C(=O)NC)c1C 26889898 GKTRZYJIVRFKBC-UHFFFAOYSA-N 445.497 2.920 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(=O)n(CCOc3ccccc3)n1)CC2 31239143 VIEJGHYSRAQASO-UHFFFAOYSA-N 435.480 2.538 0 40 IFAB CCOC(=O)C1=C(CN(CC)C[C@@H]2COc3ccccc3O2)NC(=O)N[C@H]1c1ccco1 34872116 YSWNZHQCVSQGQW-VFNWGFHPSA-N 441.484 2.613 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1Cl 35413709 QRWFUTATQOEMLB-UHFFFAOYSA-N 428.341 2.938 0 40 IFAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2cn(CCC(=O)O)c3cc(F)ccc23)CC1 36359337 USORUPPNRFSOHO-LJQANCHMSA-N 449.479 2.934 0 40 IFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c2ccc(Cl)cc21 36359669 PEGGANTZDLMCCM-NRFANRHFSA-N 442.903 2.718 0 40 IFAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)c1Cl 36394602 DNQMKCCDAHQSHN-UHFFFAOYSA-N 433.361 2.673 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983684 KODMVMIMKLCXNX-UHFFFAOYSA-N 430.526 2.878 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)CC2=O)c1 58155703 WWEMAZFMVGIXLJ-HNNXBMFYSA-N 439.493 2.882 0 40 IFAB CCn1c(=O)c(C(=O)CN(C)Cc2cccc(Cl)c2)c(N)n(Cc2ccccc2)c1=O 58160165 PSIDOBRSXZVHEF-UHFFFAOYSA-N 440.931 2.629 0 40 IFAB COc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c(OC)c1 67316675 YOUCUTBNIROQIT-UHFFFAOYSA-N 441.459 2.549 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nc(N)ns2)CC1 79059031 CXBZWQLTSJHETP-SECBINFHSA-N 434.875 2.942 0 40 IFAB O=C(CN(C1CC1)S(=O)(=O)[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 89834898 NEQWFULYNYFQCZ-LJQANCHMSA-N 449.523 2.972 0 40 IFAB COc1cc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1C(=O)O 95435571 LSFNJVMCNMCXJX-UHFFFAOYSA-N 429.450 2.890 0 40 IFAB CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)Nc3ncc(Br)cc3F)ccc2O1 95444318 ZWMBEOFZAVYGJC-AWEZNQCLSA-N 445.266 2.651 0 40 IFAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96113959 IDUYCISVGMIXDV-FQEVSTJZSA-N 443.463 2.821 0 40 IFAB biogenic COc1ccc2sc(N3C[C@@]45C=C[C@H](O4)[C@H](C(=O)NC4CCCC4)[C@H]5C3=O)nc2c1 101431005 IYFIFVRJEYGKAR-ABXWHYIOSA-N 425.510 2.650 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCOC)S(=O)(=O)c1ccc(SC)cc1 107878348 AGEAJFDYYOMTTJ-UHFFFAOYSA-N 438.571 2.765 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O 220335042 OSFUOHBZAWTCJB-HNNXBMFYSA-N 426.560 2.801 0 40 IFAB CC(C)Sc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)s1 223298101 POEGOUJAOUTNNL-UHFFFAOYSA-N 442.573 2.943 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1NC(C)=O 223906684 KVFLUPGOJOTUMV-UHFFFAOYSA-N 436.877 2.836 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224056372 XJEPPPFDKKOJPR-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB COc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 224344362 VRKVZUYFRJGVQL-UHFFFAOYSA-N 446.569 2.916 0 40 IFAB CN(c1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1)S(C)(=O)=O 224537153 NPVJSJWOSUQGIW-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)c1C 224606001 RPNKNVCPZDETRJ-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225044623 PGMHTUPYNLUNMV-INIZCTEOSA-N 437.591 2.723 0 40 IFAB O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225506227 LFJXONHCMNMDKO-SFHVURJKSA-N 441.553 2.962 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225528646 HBMGDJYAFYHKDD-AWEZNQCLSA-N 426.922 2.553 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3=O)ccc21 225696962 NSGFAFGTFQEGBN-UHFFFAOYSA-N 445.566 2.684 0 40 IFAB S=C(NCc1ccco1)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225912006 JTIBCUBFSDYPHJ-UHFFFAOYSA-N 436.541 2.913 0 40 IFAB Cc1ocnc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 257269234 MPDORWBPEUNYIK-LPHOPBHVSA-N 447.919 2.795 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)C2)cc1 408558001 PRTAROKITPBZBK-KRWDZBQOSA-N 446.525 2.911 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C 408589905 GJOIJIYGMQOPSJ-GFCCVEGCSA-N 442.921 2.980 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 408654407 BNIWKIPDMNTOKH-GOSISDBHSA-N 436.464 2.874 0 40 IFAB O=C(O)c1cc2c(c(S(=O)(=O)Nc3cc(F)c(N4CCOCC4)cc3F)c1)CCC2 507594763 DJZKJFAGKHJGRK-UHFFFAOYSA-N 438.452 2.789 0 40 IFAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCc3nnc(C(=O)NC4CCCCC4)n3CC2)C1 585107042 OWEZUWQFPSCVFN-QHCPKHFHSA-N 440.548 2.814 0 40 IFAB CC(C)c1nccn1CCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585282819 BACJOHYGTYPQFU-QFIPXVFZSA-N 448.951 2.602 0 40 IFAB O=C(c1ccccc1F)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643555629 CSQDZVRYSHTODR-DEOSSOPVSA-N 426.488 2.959 0 40 IFAB Cc1nn(C)c(OCC(F)(F)F)c1CNc1cccc(C(=O)N2CCC(O)CC2)c1 1178072294 AYGNVXLOQAQFQK-UHFFFAOYSA-N 426.439 2.879 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775973416 AZXQPAFMFBPTIB-UHFFFAOYSA-N 435.456 2.536 0 40 IFAB COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc12 1320749 ITSDBEOZCKSHBW-UHFFFAOYSA-N 429.454 2.519 0 40 IFAB CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC)c(OC)c3)N2C1=O 2246774 HZXWPYLZVMCYFR-AEFFLSMTSA-N 434.514 2.932 0 40 IFAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)ccc12 2712329 NKIFXFAIBIOAQV-CQSZACIVSA-N 438.436 2.699 0 40 IFAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O 3830595 LQOLIRLGBULYKD-CPUCHLNUSA-N 435.889 2.549 0 40 IFAB biogenic O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 3838678 QUWJVDCMABIFFK-BKULYWANSA-N 431.540 2.884 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]23)cc1 6131188 UYMSJJJPWNBPCY-WJFTUGDTSA-N 435.546 2.575 0 40 IFAB biogenic,in-vitro O=C(NCc1cccnc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 6328282 MRBIOQUKBITZBL-HXUWFJFHSA-N 429.929 2.941 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9130950 TWDRWVNQUICCKI-UHFFFAOYSA-N 446.573 2.604 0 40 IFAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 9314104 AZOVDZLOQOITMF-HSZRJFAPSA-N 434.452 2.647 0 40 IFAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1[C@@H]1CCS(=O)(=O)C1 9336206 REIUITNIQGPRRB-CYBMUJFWSA-N 426.589 2.865 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)c1 9340479 YIZDFQHPOKSVMG-NAZDKBRTSA-N 448.475 2.797 0 40 IFAB O=C(Cn1c(=O)c2sccc2n(Cc2cccc(F)c2)c1=O)NCc1cccs1 9409634 GYHBGMOYKBHNBU-UHFFFAOYSA-N 429.498 2.790 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCCCc1ccccc1)n2C 9467561 ACGMWCZWQOENNL-UHFFFAOYSA-N 442.585 2.895 0 40 IFAB COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c1 10186687 YSBHBNAKKGUUFT-UHFFFAOYSA-N 436.537 2.592 0 40 IFAB CC1CCN(c2nnc(SCC(=O)N3CCN(c4ccccn4)CC3)n2C2CC2)CC1 11424505 FYBVNRJRZYAZKH-UHFFFAOYSA-N 441.605 2.685 0 40 IFAB CCOc1cc(C(=O)OCC(=O)NC(CC)CC)ccc1OCC(=O)N1CCCCC1 12805731 SMQNMSZTMYNUSL-UHFFFAOYSA-N 434.533 2.938 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 12908440 GEJYUYNPSSJSKX-NRFANRHFSA-N 449.617 2.549 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)Nc3nc(C)c(-c4nnc(S)n4C)s3)CC2=O)c1 12909299 SXZWMNLFWZEJQS-NSHDSACASA-N 444.542 2.536 0 40 IFAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)cs1 13003334 VVNGQONMTGNYKD-JOCHJYFZSA-N 432.549 2.920 0 40 IFAB Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)nc2n1 13145323 MFJYDMDZQMGLMR-OKILXGFUSA-N 442.545 2.660 0 40 IFAB COCCNC(=O)[C@@H](c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 13508511 LLUBKJFUUVPHCX-HSZRJFAPSA-N 447.495 2.557 0 40 IFAB COc1ccc([C@H]2NC(=S)N3[C@H](c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC 17004209 IFSLBHIBVNZLNQ-HDICACEKSA-N 446.554 2.714 0 40 IFAB O=C(C1CCOCC1)N1CCc2nc([C@H]3CCCN(C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 19014470 GBINGBIZGNILAJ-ICSRJNTNSA-N 440.588 2.617 0 40 IFAB NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(Cc4ccc(F)c(F)c4)CC3)no2)C1 19292857 UFWIDMASCPWUSJ-MRXNPFEDSA-N 432.471 2.670 0 40 IFAB COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)CN3S(C)(=O)=O)cc1 19555460 JRBISXNJICALRA-DNVJHFABSA-N 430.570 2.953 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)COc2ccccc2)CCO1 19591832 WQLCQCYZDZBANB-AREMUKBSSA-N 445.519 2.714 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)COc1c(C)cccc1C)C2 19707513 SUFRDAPSRIQOGH-HXUWFJFHSA-N 437.544 2.782 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)c1 19743999 GPLQUCUURHNOQO-FQEVSTJZSA-N 430.574 2.650 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)c2nccn2C)ncc1C(=O)NCc1ccc(F)cc1 19764961 AJUJRVQDCTWWBS-LJQANCHMSA-N 436.491 2.955 0 40 IFAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCc2ccccc2)S1(=O)=O 20064019 JLQIZUZBZJMESD-UHFFFAOYSA-N 430.526 2.963 0 40 IFAB COc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 22332518 MSLPPHAPSWWUEN-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB O=C1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2N1 22417299 RTABJJSBWMRQHB-CQSZACIVSA-N 433.917 2.726 0 40 IFAB CCN1CCC[C@H]1CNCC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 22789173 JJVPBUWBSQAWCV-FQEVSTJZSA-N 438.572 2.680 0 40 IFAB C[C@@]1(CSc2ccccc2C(=O)NCCCn2cnc3ccccc32)NC(=O)NC1=O 24835927 HIVDSQXAWBRYGZ-QFIPXVFZSA-N 437.525 2.547 0 40 IFAB O=C(Nc1ccccc1O)C1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1 24993320 QNCWSZONRCFWKI-UHFFFAOYSA-N 437.496 2.775 0 40 IFAB O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)Nc1cc2c(cc1Cl)OCCCO2 27144090 SRMIIEJVYYDMHR-KRWDZBQOSA-N 433.892 2.814 0 40 IFAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 29341925 HLXVSPZLRPSHQC-UHFFFAOYSA-N 438.871 2.818 0 40 IFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 32126586 HYALKLNFBMOTHU-UHFFFAOYSA-N 440.525 2.601 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 32837339 HRYCRPLQOCDERP-UHFFFAOYSA-N 427.617 2.900 0 40 IFAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 32915295 DEMDCNLAPDWWQL-SFHVURJKSA-N 447.601 2.582 0 40 IFAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 40399936 ZTQARCLKVWLLGL-HNNXBMFYSA-N 449.467 2.904 0 40 IFAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 43746585 CFPVYVPWJQGPJO-OTPBECDQSA-N 430.508 2.669 0 40 IFAB biogenic O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ccccn2)CC1 71768221 VNWQDMLUIHMYFK-UHFFFAOYSA-N 442.483 2.552 0 40 IFAB CC1(C)NC(=O)N(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)C1=O 72393502 LORQKABNIRHAQB-UHFFFAOYSA-N 444.551 2.549 0 40 IFAB CC(C)(C)OC(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)c3ccccc3N=C2O)CC1 79482856 LTSQLMXHCPZPPW-QGZVFWFLSA-N 430.505 2.683 0 40 IFAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccccc4)cc32)n1 96267827 YUWWSXFESQWUPZ-IBGZPJMESA-N 439.541 2.701 0 40 IFAB COc1cccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)N(C)C)c1 105531660 ALEWYHKOYUJCTI-OYHNWAKOSA-N 431.558 2.574 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1O 205911242 UTIZBBHXWLYVQI-MDWZMJQESA-N 441.303 2.822 0 40 IFAB CCCSc1nnc(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)s1 223337440 KQGZXWCMJPWVCN-NSHDSACASA-N 430.577 2.842 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)c(C)c1 223451332 XDEWNBCFTNZIEK-GOSISDBHSA-N 448.541 2.808 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224106495 XCZRCJVOLSIQDZ-NRFANRHFSA-N 445.585 2.705 0 40 IFAB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)s2)cc1 224329527 NXBHOTGBRYFQQP-UHFFFAOYSA-N 434.499 2.982 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCN(C)c3ccccc3)s2)c1 224993026 DIRYGEVUWQKUPO-UHFFFAOYSA-N 431.543 2.514 0 40 IFAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc(C)ccc1C)S(C)(=O)=O 225275033 BBUHURWSHLALTB-MSOLQXFVSA-N 432.542 2.804 0 40 IFAB COc1cc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc(OC)c1OC 225658060 LSMBYTSPHBZELA-UHFFFAOYSA-N 440.543 2.871 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@H](c2ncncc2-c2ccnc(N)c2)C1 257260816 LENDMXUJAXXJCP-KRWDZBQOSA-N 439.541 2.924 0 40 IFAB O=C(N1CC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1)C1(c2ccccc2)CCOCC1 257324812 WQHCGMCEDMVSSJ-AREMUKBSSA-N 449.595 2.520 0 40 IFAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4c(C)cc(C)nc4=O)C3)o2)cc1 257325617 WTSHKTSLMBXOAM-LJQANCHMSA-N 436.512 2.854 0 40 IFAB CS(=O)(=O)[C@H]1CCCCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 505131092 VBPNFSHFQLKELH-HNNXBMFYSA-N 447.338 2.749 0 40 IFAB O=S1(=O)CC[C@H](N(CCCN2CCOCC2)C(c2ccccc2)c2ccccc2)C1 575420713 JJSCOILBODBNHZ-QHCPKHFHSA-N 428.598 2.987 0 40 IFAB O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1 4092590 JTQHOEPJOLOBRV-UHFFFAOYSA-N 434.496 2.781 0 40 IFAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 4132517 ABVQMLTWBDOZRL-IBGZPJMESA-N 430.618 2.952 0 40 IFAB CC(C)CCNC(=O)[C@@H](C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1 4161180 LGJLMNDEYHXHSP-MRXNPFEDSA-N 430.528 2.801 0 40 IFAB CCOCCCNC(=O)[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)cc1 4571783 WBBIZZIQWORWJY-NRFANRHFSA-N 427.501 2.668 0 40 IFAB CCCNC(=O)CCS(=O)(=O)c1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 6500513 UVLXEWWKIZQVMS-UHFFFAOYSA-N 431.436 2.861 0 40 IFAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6821019 SNSRMTHGHLJXFL-OAHLLOKOSA-N 429.546 2.617 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 8453237 ALYDLEWQXZEAOS-GTENMVSRSA-N 426.444 2.686 0 40 IFAB CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1 8707173 MIHBQHKPHLEBHV-UHFFFAOYSA-N 429.571 2.916 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 9263699 LSGARLFAKDENDV-UHFFFAOYSA-N 439.497 2.764 0 40 IFAB CC(=O)c1ccc(O[C@@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 9283484 JJFBARSHZUVUAV-ZDUSSCGKSA-N 444.509 2.878 0 40 IFAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCS(=O)(=O)c1ccccc1 9448529 DYHAOTDHACDGBM-UHFFFAOYSA-N 435.527 2.637 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2OC)c1 9511971 JLZKRYYZBXDWSY-UHFFFAOYSA-N 447.557 2.815 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 9743813 FBYKGCBRUIRRKZ-IBGZPJMESA-N 447.532 2.822 0 40 IFAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 9836122 PJWRJXQPZRXDSI-UHFFFAOYSA-N 446.536 2.962 0 40 IFAB CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(F)c5)CC4)ncnc32)cc1 9851360 IGMBVWPOQFFREA-UHFFFAOYSA-N 447.474 2.711 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)n4nc(C)c5ccccc5c4=O)C3)cc2n1 12134492 VLRZOSAPDTUOKH-DLBZAZTESA-N 446.511 2.729 0 40 IFAB CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3C(F)(F)F)=C2)c(C)n1 12155642 KHHINKUSGYEZHI-UHFFFAOYSA-N 441.435 2.732 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 12656468 SPFHQSRGNRTRJC-AMMSTGSMSA-N 436.574 2.968 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCC1=O 12904447 KGEUNCKSUFZBLU-UHFFFAOYSA-N 433.555 2.841 0 40 IFAB CC(C)(C)c1cccc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 12982189 OKHMPCNVLWRSMP-UHFFFAOYSA-N 446.569 2.700 0 40 IFAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1C 15245297 HGGKFARIOZHVIN-UZUQRXQVSA-N 426.469 2.547 0 40 IFAB CCOc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 15389629 CMDUXVKECQFTJH-UHFFFAOYSA-N 434.514 2.944 0 40 IFAB CS(=O)(=O)N1CCN(C(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)CC1 16850117 COAROQLLCBFTBO-UHFFFAOYSA-N 448.492 2.552 0 40 IFAB O=C(CN1CCC[C@H](c2csnn2)C1)N1CCc2n[nH]c(-c3ccccc3F)c2C1 19368301 YXXCFBMLZDUDKE-AWEZNQCLSA-N 426.521 2.832 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19404969 XYEJFLAIZNFVFT-FQEVSTJZSA-N 435.528 2.607 0 40 IFAB CCCc1cc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)no1 19694888 YPHURKZDCLMIKU-QGZVFWFLSA-N 448.527 2.879 0 40 IFAB Cc1ccc(C)c(Cn2c(CN3CCc4ccccc4C3)nc3c2c(=O)n(C)c(=O)n3C)c1 20029450 ODKPVCPXIOULPX-UHFFFAOYSA-N 443.551 2.657 0 40 IFAB NS(=O)(=O)c1ccc(CCNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 20377141 SATHLXHSHOBCJW-UHFFFAOYSA-N 445.508 2.642 0 40 IFAB CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccco1 23763498 PTJUNBQCRPSWAQ-UONOGXRCSA-N 449.533 2.598 0 40 IFAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1S(=O)(=O)N(C)C 24760144 JDKSUENPTBEUHK-UHFFFAOYSA-N 427.530 2.965 0 40 IFAB COc1ccc(NC(=S)N[C@@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 28293904 XLPLUIJTUOVRGJ-LBPRGKRZSA-N 441.768 2.720 0 40 IFAB O=C(c1ccc(C(F)(F)F)nc1O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 32904969 HDGVTBRNWUGGRJ-GFCCVEGCSA-N 448.401 2.864 0 40 IFAB CCCn1nc(C)c2c(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc(C)nc21 36616889 UVPQSWWNDJXXMF-UHFFFAOYSA-N 441.557 2.605 0 40 IFAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1nc(N2CCOCC2)ncc1Cl 40154640 SAWPZVLSUVUKMC-UHFFFAOYSA-N 439.903 2.871 0 40 IFAB COc1ccc(N2C(=O)C[C@@]3(CC(c4cc(OC)c(OC)cc4OC)=NO3)C2=O)cc1 40266369 QWODXDNOCOPASF-QFIPXVFZSA-N 426.425 2.548 0 40 IFAB CSc1ncccc1C(=O)N1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 44001481 GCTRJVXIVCEYFV-LJQANCHMSA-N 427.526 2.612 0 40 IFAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)c1OC 44891946 SNMWIUAFYSQWBT-LJQANCHMSA-N 433.468 2.927 0 40 IFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(I)cc1 57884323 NPZUIZBQADXNKN-UHFFFAOYSA-N 437.281 2.758 0 40 IFAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@](C)(c2ccsc2)C1=O 58179885 DTAAFQOTRZHZDO-IBGZPJMESA-N 435.527 2.954 0 40 IFAB CC[C@](C)(CNC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)N1CCOCC1 58216490 CRXQQJGFRSIMTE-VGOFRKELSA-N 428.537 2.705 0 40 IFAB O=C(Nc1ncn(Cc2ccccn2)n1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 58231041 SLLUVCVPKOXSAY-UHFFFAOYSA-N 437.463 2.732 0 40 IFAB N#C[C@H](C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nnc2n1CCCCC2 58447210 SRKSYOYAGZGFRQ-QGZVFWFLSA-N 446.488 2.872 0 40 IFAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(Cl)cc1F 67245836 KCGHAPIAHXLSRL-UHFFFAOYSA-N 441.912 2.844 0 40 IFAB C[C@@]1(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 69084670 MHHHRCUBLQJJSF-GHTZIAJQSA-N 434.945 2.895 0 40 IFAB CC(C)CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[C@H]1CO 72321159 NKXOVDANGLBQNI-XMSQKQJNSA-N 426.469 2.584 0 40 IFAB biogenic,in-vitro C[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@H]1CNC(=O)OC(C)(C)C 78992514 YSLYKFZVNATWSI-QAPCUYQASA-N 444.532 2.504 0 40 IFAB COc1cccc(C(=O)Cn2nc3n(CCC(C)C)c(=O)c4sccc4n3c2=O)c1 96321826 MUWQECNYQNYLAU-UHFFFAOYSA-N 426.498 2.810 0 40 IFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(N3CCOCC3)c3nonc13)[C@H]2C(=O)O 102331262 AQSHUXMEBUYNTN-HLNSBACISA-N 426.473 2.691 0 40 IFAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102380775 UPNNNTPTZMAHQX-CHWSQXEVSA-N 431.905 2.509 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)CC1 220121107 GYAGEVBTCCVGPC-SFHVURJKSA-N 431.558 2.507 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222760355 FFERJBULYUFRHV-UHFFFAOYSA-N 428.510 2.939 0 40 IFAB O=C(NCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 252346943 KQJNAGFUOFNHFR-VUMQFKOGSA-N 427.504 2.809 0 40 IFAB biogenic O=C1N[C@@H](CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCC3)C2)c2ccccc21 257208185 BLBRTRCBEPDUTN-UZLBHIALSA-N 435.528 2.617 0 40 IFAB O=C(c1c[nH]nc1C1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1)N1CCCCCC1 257226068 FIZWHLRJSWICOS-UHFFFAOYSA-N 448.527 2.682 0 40 IFAB Cc1nc([C@@H]2CCN(CC(=O)N3CCCCC3)C2)nc2c1CCC(=O)N2CCC(C)C 257236652 HDCDLTFSTJBZAV-LJQANCHMSA-N 427.593 2.912 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(Cc4ccncc4)C[C@H]3c3cccnc3)C2=O)cc1 306124208 BJKXEURDONELMM-AHWVRZQESA-N 444.535 2.882 0 40 IFAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccccc1 306142553 XCXKLHHFPLUQKK-OALUTQOASA-N 427.551 2.979 0 40 IFAB COC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 408605856 KEZLLYKWSGEPMW-AWEZNQCLSA-N 426.922 2.695 0 40 IFAB C[C@H](NC(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 1564965556 HUWBUWVCDPVFRG-FXAWDEMLSA-N 435.528 2.625 0 40 IFAB COC(=O)c1c[nH]c2cc(NC(=O)NCc3ccc(C(=O)N4CCN(C)CC4)cc3)ccc12 1673155574 NNBVHXKQNSUQCA-UHFFFAOYSA-N 449.511 2.664 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775973693 MTQZRYPMEDGXQA-KBPBESRZSA-N 428.356 2.553 0 40 IFAB Cc1cccc(N(C(=O)Cn2nnnc2N)C2(C(=O)Nc3ccccc3)CCCCC2)c1 1070020 NPTKFGFZCJPUNU-UHFFFAOYSA-N 433.516 2.939 0 40 IFAB COCCOC(=O)c1sc2ncn([C@H](C)C(=O)OCc3ccccc3)c(=O)c2c1C 1784809 BYBCWANZWSMDIJ-CQSZACIVSA-N 430.482 2.874 0 40 IFAB COCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2ccccc2)cc(C#N)c1=O 2639616 WTMTWQYEMMURRW-UHFFFAOYSA-N 431.448 2.615 0 40 IFAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1 3469868 AMKOXKUAVCOXFE-UHFFFAOYSA-N 429.454 2.826 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1C 3545594 VCLXULJAPVDLJZ-UHFFFAOYSA-N 449.891 2.716 0 40 IFAB COc1ccc(OC)c(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)c1 4792951 WJSOLQNSGFSPNO-UHFFFAOYSA-N 445.475 2.669 0 40 IFAB biogenic CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8791390 WNYSZEZUHUALTK-IMIIHFCZSA-N 442.519 2.931 0 40 IFAB biogenic CC(=O)N1N=C(c2ccc(N(C)C)cc2)C[C@@H]1N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 8863621 NDVWHSOKUWWYHL-XZOQPEGZSA-N 433.512 2.802 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCc2sccc2[C@@H]1C1CC1 8918752 KTPXUXSKFCJRIH-NRFANRHFSA-N 449.598 2.955 0 40 IFAB O=C1NC(=O)[C@](CCCCCC[C@@]2(c3ccccc3)NC(=O)NC2=O)(c2ccccc2)N1 8925983 TZOQNPJTEOEUQT-ZEQRLZLVSA-N 434.496 2.797 0 40 IFAB COc1ccc(OC)c(-n2c(O)nc(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1 8969916 FNNWFZZTVZNUPF-NRFANRHFSA-N 448.479 2.720 0 40 IFAB biogenic COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)c(F)c1 9034031 YVQDLJYUKHNMHC-YCRPNKLZSA-N 428.416 2.950 0 40 IFAB biogenic Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccccc2Sc2ccccc2)n(C)c1=O 9191187 LTQSQGGSGIEUHG-UHFFFAOYSA-N 435.509 2.614 0 40 IFAB COc1ccc(C(=O)N[C@H](C)c2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 9263348 SJAQQUNFTXYADC-NEPJUHHUSA-N 446.558 2.891 0 40 IFAB CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1 9295441 FKKDKCZFUHHNSH-PHJXOXRPSA-N 434.517 2.807 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccccc1Cl 9369860 GHOVRLJTAMPXNW-GTVARFKMSA-N 439.924 2.847 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccccc1 9509373 JNYIXFSLXZFSML-UHFFFAOYSA-N 444.431 2.901 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2=NNC(=O)CC2)c1 9639242 YUWRSUNWVVTCDG-UHFFFAOYSA-N 444.513 2.714 0 40 IFAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)n1C1CC1 9847233 QEYFILCFQRBLET-UHFFFAOYSA-N 435.571 2.831 0 40 IFAB O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9952670 NSWPKVXMCRCCQR-UHFFFAOYSA-N 449.573 2.661 0 40 IFAB CCc1ccc(NC(SCC(=O)N2CCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973818 GQGAJWJSYBFLAB-UHFFFAOYSA-N 444.557 2.669 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 10314762 RQAHVCZKJBGJRU-UHFFFAOYSA-N 439.559 2.649 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCSc1ccccc1 10594142 LIUJGNGHDVDEDO-UHFFFAOYSA-N 436.555 2.909 0 40 IFAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 11612859 LPNQXGABJIGUHI-KRWDZBQOSA-N 434.489 2.804 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccc(F)cc2)CC1 11613619 PIJBNPYPIJYQAZ-QGZVFWFLSA-N 428.533 2.647 0 40 IFAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nn2)c1 11696924 DYKPNRHOEDKLPZ-UHFFFAOYSA-N 442.479 2.992 0 40 IFAB COc1cc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc(OC)c1 12143389 RZTODWSSISSJKD-HSZRJFAPSA-N 440.519 2.980 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc(F)cc3)CC2)cc1 12766664 FZMQYTQZKPMODL-UHFFFAOYSA-N 447.532 2.686 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2nc3ccccc3s2)CC1 12778277 IIQVJUKPCVBWDV-UHFFFAOYSA-N 431.539 2.969 0 40 IFAB NS(=O)(=O)c1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(Cl)cc1Cl 12986896 QFHISBYRFBNPNP-UHFFFAOYSA-N 442.324 2.919 0 40 IFAB O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1)c1ccccc1 12996314 KUOBVGJCBGZFNA-UHFFFAOYSA-N 432.926 2.611 0 40 IFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)NCCc1ccccc1 13533449 FDBLXNYHXLNQRK-UHFFFAOYSA-N 433.533 2.826 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)OC)c2)ccc1OC 13677479 KVLJOJPXXJMGND-UHFFFAOYSA-N 426.878 2.686 0 40 IFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 14184637 DHKUUQUASCRUFU-UHFFFAOYSA-N 445.479 2.594 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)CC1 15343486 BAMWDEBBXPOZPA-UHFFFAOYSA-N 443.569 2.751 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 15391564 YQBOOBMFHHBWEY-QGZVFWFLSA-N 449.960 2.906 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 17170263 URVJOEXIVBSNNL-UHFFFAOYSA-N 430.526 2.580 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(C(=O)COc2c(C)cccc2C)C3)c(OC)n1 19236025 XRCFRGSBFSPYFV-QLCVBSLISA-N 441.528 2.636 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21)NC[C@H]1COc2ccccc2O1 19375716 YUOMVJRFUSSXKS-HNNXBMFYSA-N 440.887 2.689 0 40 IFAB COc1ccccc1C(=O)N1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 19497320 ZVKNRSZLMAGJLF-HOTGVXAUSA-N 426.517 2.688 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2cnccn2)CCO1 19529325 HVRCKPNCVSCEOQ-VWLOTQADSA-N 448.498 2.873 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)C[C@@H]2O 19563066 VFFQYEKVNPEETF-VQTJNVASSA-N 427.497 2.851 0 40 IFAB CN(C)Cc1cnc2ccnn2c1CC1CCN(S(=O)(=O)Cc2ccccc2)CC1 19704761 PUFSMDYOACQHDF-UHFFFAOYSA-N 427.574 2.575 0 40 IFAB Cc1cnc2c(C(=O)N[C@@H]3CCc4ccc(S(=O)(=O)NC5CCCC5)cc43)cnn2c1 19749533 GBBWGIIYKIQYKF-HXUWFJFHSA-N 439.541 2.676 0 40 IFAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2c[nH]nc2C)nc1C 19755284 WAYCKVKOELOPJE-LJQANCHMSA-N 434.500 2.732 0 40 IFAB COc1cccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20105850 HIKZAQKMBBTKQW-IBGZPJMESA-N 438.933 2.625 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC 20486346 BAXWMZWBFAPMGE-OAHLLOKOSA-N 436.530 2.664 0 40 IFAB CCCCNC(=O)CN1CCN(S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 22277553 PXMCTALQVSWWLX-UHFFFAOYSA-N 436.405 2.833 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907572 IBZITHODTCDIMZ-NRFANRHFSA-N 447.491 2.921 0 40 IFAB COCCCNC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32615998 ZZFYXYHSGUIKOL-AWEZNQCLSA-N 448.570 2.594 0 40 IFAB O=C(CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccc(Cl)cc1 36597309 RYEUGHGDJPEPCS-QGZVFWFLSA-N 443.887 2.833 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1cc(-c2ccco2)n[nH]1 36700488 CXXNMJXDIHLLKP-UHFFFAOYSA-N 433.403 2.722 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 40161251 FHJMPBOOGWTJPU-RBUKOAKNSA-N 447.576 2.658 0 40 IFAB CC1CCN(c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)CC1 42379776 BDCLENYUHLFHPL-UHFFFAOYSA-N 437.516 2.502 0 40 IFAB CCn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nc2cc(C)[nH]c2c1=O 57522018 ATBLRJIFJPZHLQ-UHFFFAOYSA-N 429.521 2.633 0 40 IFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 58265356 NKBCEBZYZKAIFC-FQEVSTJZSA-N 430.530 2.835 0 40 IFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)[C@H]2CCOC2)C1 72337726 YPJLJTXREKSYLX-WCAVRKLYSA-N 432.492 2.917 0 40 IFAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)COc2ccccc2)CC3)C1=O 96144333 TZQVFYBDRZWQFS-VWLOTQADSA-N 427.589 2.884 0 40 IFAB CS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccc(Cl)cc1 96520982 ORXRQPJAGDSCDS-DTWKUNHWSA-N 439.496 2.902 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3ccc(C)cc3)C2=O)cc1 96855798 OXONGBYNTQHNNX-CPNJWEJPSA-N 437.521 2.886 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)nn2c(O)c1C 100138781 CJDNHRAXJUSMPK-DNVCBOLYSA-N 432.484 2.686 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Br)cc2)c1 102690194 NEQYFFVJHRIPRS-GBESFXJTSA-N 442.313 2.993 0 40 IFAB COc1ccc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 222601412 ZLZCQXBORDUZJE-UHFFFAOYSA-N 426.560 2.884 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223074622 VAJIHHSBDQZZGG-NRFANRHFSA-N 445.585 2.623 0 40 IFAB CCOc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 224911072 POHOZUPNMUWESF-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1 224995849 IFPZFFLLMOQXRD-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 225259394 XHWDHTNUOYAWBZ-NRFANRHFSA-N 442.541 2.742 0 40 IFAB O=c1[nH]nc(CC2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1-c1cccs1 225546787 LWAAXDXQWYAFSH-GXDHUFHOSA-N 430.555 2.877 0 40 IFAB CSc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1NC(C)=O 225798318 BFOUZPCKYQWHOO-UHFFFAOYSA-N 443.572 2.564 0 40 IFAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 252394281 DNMISKGVNCVSCQ-ZLGUVYLKSA-N 442.512 2.934 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C1 257229591 FYRWWVZTOJIVDU-KMAVMUOFSA-N 425.529 2.776 0 40 IFAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cccc(Cl)c1C 409379715 ZPZUPEXNJDSFTA-MRXNPFEDSA-N 441.875 2.850 0 40 IFAB O=C(NC1CCN(c2nccs2)CC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 500737699 CBZYNJRVBIVYOR-OAHLLOKOSA-N 440.616 2.533 0 40 IFAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 575424884 VRNBUFGIBKBJCG-GOSISDBHSA-N 436.555 2.528 0 40 IFAB C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 1152465661 BBHUSLPWHOTBID-OAHLLOKOSA-N 437.212 2.503 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(Br)o4)CC3)n2)n1 1775969483 VCCHLUHLAXTDOQ-UHFFFAOYSA-N 446.305 2.879 0 40 IFAB COc1ccc(N[C@@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4c(c2)CCO4)C3)cc1 2056223865 IIOUTOGKEFGZLI-KRWDZBQOSA-N 432.567 2.991 0 40 IFAB COc1cc2c(cc1OC)-c1cc(N(C(C)=O)c3ccc4c(c3)OCCO4)nc(=O)n1CC2 2127749 SHTSKUVELQSLMU-UHFFFAOYSA-N 449.463 2.939 0 40 IFAB biogenic O=C(COC(=O)/C=C/c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCCO2 3396839 IGEFXUYYSYLVJY-BQYQJAHWSA-N 439.449 2.972 0 40 IFAB COc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl 3472224 AWCIIRRZYMQTPF-UHFFFAOYSA-N 428.869 2.761 0 40 IFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC(=O)Nc1ccc2c(c1)OCCO2 3493097 XQNXZPNPMFRPFI-UHFFFAOYSA-N 446.876 2.527 0 40 IFAB CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6501268 JECIUXCXZPQORW-CQSZACIVSA-N 449.552 2.689 0 40 IFAB COC(=O)CNC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 8642249 JMNWERPYFXGTQI-HXUWFJFHSA-N 442.512 2.991 0 40 IFAB O=C1NC(=O)[C@]2(Cc3ccccc3N3CCCCC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 8694636 BTTCODLPLQKRFY-GBXCKJPGSA-N 433.464 2.990 0 40 IFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1OC 8751919 VQZJPHMHJATPCA-UHFFFAOYSA-N 427.453 2.995 0 40 IFAB biogenic O=C1C(=O)N(Cc2nnc(-c3ccccc3Br)o2)C(=O)N1Cc1ccccc1 8753495 BKMUKTMEDKASBV-UHFFFAOYSA-N 441.241 2.990 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC[C@@H]3CC3(Cl)Cl)CC2)cc1 9165312 QSEVTXLYEHSMAG-AWEZNQCLSA-N 437.414 2.755 0 40 IFAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CSc1nnnn1-c1cccc(Cl)c1 9348702 IEGSEZVRBNQIMI-UHFFFAOYSA-N 440.916 2.908 0 40 IFAB C[C@]1(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)CCS(=O)(=O)C1 9575869 HRNYPOTZKHPHSC-FQEVSTJZSA-N 436.530 2.864 0 40 IFAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1N1CCOCC1 9717078 VSHQELFSTXFZSU-UHFFFAOYSA-N 444.495 2.517 0 40 IFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 9741874 FQHRCTLGOYJXGZ-HOYKHHGWSA-N 433.464 2.516 0 40 IFAB Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(Cl)cc4)[C@H]3C2=O)c1 9748257 BPMSTXSKQLSXFT-RBUKOAKNSA-N 425.876 2.566 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1 9804735 ZMPRNGMTHUGQEM-AWEZNQCLSA-N 426.469 2.965 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 9835810 UNKIHSAIJPODMM-UHFFFAOYSA-N 431.539 2.867 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 10680230 JVQWMSHFHRYQBU-UHFFFAOYSA-N 428.601 2.832 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 12237719 ZPAADRZHABPDGH-UHFFFAOYSA-N 437.843 2.661 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O 12664448 XXAATMWWTYYOLI-HFTRVMKXSA-N 429.521 2.596 0 40 IFAB biogenic Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 12698330 NOBMKDJJIGOQND-INIZCTEOSA-N 433.530 2.910 0 40 IFAB Cc1nc(C)c(CCC(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]1 12773000 YYFSSBHPDHJYSI-UHFFFAOYSA-N 433.534 2.708 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCSc1ccc(Br)cc1 12776837 PWRYMCABXRUCSS-UHFFFAOYSA-N 437.315 2.816 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 13018476 RAJDBHAJUPISRG-BZQUYTCOSA-N 446.507 2.706 0 40 IFAB CCOCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 13944955 QNSONDYNNXSLTI-CQSZACIVSA-N 445.520 2.767 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1C 13950115 CICUACBWSQVDJL-UHFFFAOYSA-N 428.601 2.677 0 40 IFAB Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 14158060 CXQFTKPUSOFZSC-IOFSEFHDSA-N 446.613 2.861 0 40 IFAB COc1ccc2c(CC(=O)N(C)Cc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)coc2c1 14233378 AKFNGORFTCOFIX-KRWDZBQOSA-N 445.541 2.815 0 40 IFAB Cc1ccc2c(CN3CCc4cc(S(=O)(=O)N5CCOCC5)ccc43)cc(=O)oc2c1 15401629 HVJRIKUKBAHPJD-UHFFFAOYSA-N 440.521 2.685 0 40 IFAB Cc1cc(OCC(=O)NCc2ccc(N3CCCC3=O)cc2)c(C(C)C)cc1-n1cnnn1 16268205 GEVUFOFAQBJZNK-UHFFFAOYSA-N 448.527 2.916 0 40 IFAB CC(C)N1C[C@H](C(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)CC1=O 19447684 KRQVXQLGDVTAKW-OAHLLOKOSA-N 446.433 2.683 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2N1 19520683 MGHNZQZAGVVGQK-MYZSUADSSA-N 434.484 2.679 0 40 IFAB COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)c3noc(C)c3CN(C)C)CCO2)cc1 19693332 TYPCMQUQGXUVIV-IBGZPJMESA-N 437.500 2.724 0 40 IFAB CC1(C)C[C@](CC(=O)N2CCc3nc(N)c(C(N)=O)cc3C2)(Cc2ccccc2)CCO1 19701042 UCGYCQXJDVVSJG-VWLOTQADSA-N 436.556 2.856 0 40 IFAB Cc1nonc1C(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19738896 URKBTNDHCDVTNG-KRWDZBQOSA-N 438.532 2.966 0 40 IFAB Cc1nc([C@@H]2CCCCN2S(C)(=O)=O)nc2c1CC(=O)N2CCCc1ccccc1 19740245 DTMJDGVDDFAFMS-IBGZPJMESA-N 428.558 2.794 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CCCN2CCCC2=O)nc2c1CCC(=O)N2CC(C)C 19742011 GJPSSRPUCGURJV-IBGZPJMESA-N 441.576 2.786 0 40 IFAB Cc1nn(-c2ccccn2)c2nc(C3CCN(C(=O)[C@H](C)N4CCCC4=O)CC3)ccc12 19744628 YWNUNTWHPKGXTQ-KRWDZBQOSA-N 432.528 2.841 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)COc2cccc(N(C)C)c2)ncc1C(=O)N(C)C 19765582 SWSMWAYCMKOSAL-HXUWFJFHSA-N 425.533 2.685 0 40 IFAB CCOc1cc(CCC(=O)N2CCC(c3ncc(C(=O)N4CCCC4)c(C)n3)CC2)on1 19766422 XBWNAZUKDRNNTP-UHFFFAOYSA-N 441.532 2.747 0 40 IFAB CCOc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1F 20953576 AIIREQXMBCJDRJ-GOSISDBHSA-N 427.567 2.553 0 40 IFAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1C 21625336 YWJJQDQKQCLVMW-HIFRSBDPSA-N 441.575 2.648 0 40 IFAB CCn1c(SCC(=O)N2CCN(CCOc3ccccc3)CC2)nnc1-c1ccco1 23866787 LGEDOQIMOUPCKM-UHFFFAOYSA-N 441.557 2.873 0 40 IFAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1=O 27379266 ULJMLUPIRFQBNI-LJQANCHMSA-N 449.507 2.708 0 40 IFAB Cc1ccc2c(c1)c1ncn(Cc3nc(C4CC4)no3)c(=O)c1n2CC(=O)N1CCCCC1 33281237 LCOULMBQBKQYPE-UHFFFAOYSA-N 446.511 2.981 0 40 IFAB CC(C)C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 35736490 ZCHUQDGMAGXSQB-ZJPYXAASSA-N 444.532 2.700 0 40 IFAB O=C(NCc1ccnc(Oc2ccccc2)c1)C1CCN(c2ccc3nncn3n2)CC1 40110600 VONVBHPBAPJDCX-UHFFFAOYSA-N 429.484 2.844 0 40 IFAB Cc1oc(C(=O)NC[C@H](C)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCC1 40133452 RRKCVSKNMKUKKW-AWEZNQCLSA-N 437.587 2.611 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(c3nccs3)CC2)cc1I 57463431 LFGCVVZRDJNVCH-UHFFFAOYSA-N 442.326 2.817 0 40 IFAB COC(=O)[C@H](C)NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 62001686 LXCVYDMTGZUZFO-ZDUSSCGKSA-N 443.496 2.832 0 40 IFAB biogenic COc1cccc(-n2ccn3c(SCC(=O)Nc4cc(F)ccc4F)nnc3c2=O)c1 64593714 LULHHIRSUJJUBO-UHFFFAOYSA-N 443.435 2.898 0 40 IFAB O=C(Cc1nn(CCO)c(=O)c2ccccc12)OCCOc1ccc(Cl)cc1Cl 72312581 UHLPLWZAQOFAMZ-UHFFFAOYSA-N 437.279 2.860 0 40 IFAB COc1ccc(C(=O)N2CCc3nc(-c4ccccc4F)sc3C2)cc1S(N)(=O)=O 72392033 SBAWXSPCIMMIGZ-UHFFFAOYSA-N 447.513 2.804 0 40 IFAB CC(C)(C)c1nc(CN2CCCN(C(=O)CCCNC(=O)NC3CCCCC3)CC2)no1 78878739 QLPLDPFIHZXBTN-UHFFFAOYSA-N 448.612 2.814 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 89568763 CCHPHVPYAKYLEH-UHFFFAOYSA-N 431.558 2.565 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)cc1 89638901 SEMPLDRWBSVZLC-UHFFFAOYSA-N 441.553 2.808 0 40 IFAB O=C(NCCc1ccc(O)cc1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95476110 LRAGPMMITCLNIH-CYBMUJFWSA-N 443.301 2.743 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(SC)c4)[C@H]3C2=O)cc1 101166426 RNLUDMGEZLHVNK-RBUKOAKNSA-N 439.497 2.739 0 40 IFAB COC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101172099 SICSYKJAIHVUAS-WMZOPIPTSA-N 427.844 2.564 0 40 IFAB CCOC(=O)C(=O)Nc1sc2c(c1C(O)=C(C(=O)OCC)C(=O)OCC)CCCC2 101460900 HGWUOEUGPPDNHR-UHFFFAOYSA-N 439.486 2.524 0 40 IFAB CCOC(=O)CSc1nc2nc3c(c(O)c2c(=O)n1-c1ccccc1)COC(C)(C)C3 106799175 SJPWUCXWNLWUFH-UHFFFAOYSA-N 441.509 2.993 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 138882024 BNSPXMRZPRWRAI-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223049055 RMFKNNDLMJWZDL-OAQYLSRUSA-N 435.524 2.925 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1c(C)cccc1C 223948754 ZBMDXULFPBYPES-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1Cl 224465761 HBEDYQZTRIQFTG-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C)c(C)c1 224694966 ARVUKJDVXMDADV-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(F)cc2)s1 225192671 QPYFXPHMMCGQFK-UHFFFAOYSA-N 436.490 2.595 0 40 IFAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225464550 WOVIJVPCAQDJQL-QGZVFWFLSA-N 449.548 2.534 0 40 IFAB CCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OC 225474127 ZAUXFQSNJYNXHR-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB O=C(c1ccncc1)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)nc2C1 247952990 UGDAXLDIUINBEU-OVQGTLEDSA-N 447.539 2.875 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O 248189744 KBYNEFDHULKTTC-SANUXOLBSA-N 434.334 2.624 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCn2ccnc2C(C)C)(c2ccccc2)CC[C@@H]1O 257315809 VCVOVIWLFAMISL-HWBMXIPRSA-N 440.588 2.890 0 40 IFAB O=C(Nc1ccc(OC2CSC2)cc1)[C@]12C[C@H]1CN(Cc1ccccc1)S2(=O)=O 260830844 IKUDWQTTXMQQFJ-KKSFZXQISA-N 430.551 2.724 0 40 IFAB Cc1ccc2nc(COc3ccccc3C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)cn2c1 521329219 XMKOQVMSWFFZTB-LJQANCHMSA-N 449.555 2.539 0 40 IFAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCc3nnc(C(=O)NC4CCCCC4)n3CC2)C1 585107041 OWEZUWQFPSCVFN-HSZRJFAPSA-N 440.548 2.814 0 40 IFAB COc1ccc2nc(C)c(C(=O)N3CCC[C@H](CC(=O)NCCn4ccnc4)C3)cc2c1 1848353549 WWTAMLHCUNQXFC-GOSISDBHSA-N 435.528 2.807 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccncc3)n2)cc1 1372828 UACYGFQDHCECFD-UHFFFAOYSA-N 429.440 2.635 0 40 IFAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)C1=O 2155731 XLFXKEORUZCZNB-YADARESESA-N 449.507 2.516 0 40 IFAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCC(N)=O)cc1)N(C[C@H]1CCCO1)C3=O 2440031 CZFMXNQNNJKXRZ-VGSWGCGISA-N 448.475 2.690 0 40 IFAB COc1ccc(CNC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1OC 3352824 LWLJAPFGBKYCGJ-QGZVFWFLSA-N 428.510 2.738 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccc(Cl)cn1 3372767 GIIJWSNCDINJFQ-UHFFFAOYSA-N 439.811 2.920 0 40 IFAB CCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 3557567 YTHTXGFZIYQHTN-UHFFFAOYSA-N 432.542 2.614 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCCCC3)c(=O)[nH]c2c1 6282920 GJAZGBSYZQTJIS-WIYYLYMNSA-N 438.532 2.668 0 40 IFAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 9174229 HBMGXPJNYFZMDD-OAHLLOKOSA-N 433.917 2.711 0 40 IFAB CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)s1 9381025 ZPPNZRRMTNNWPX-UHFFFAOYSA-N 442.573 2.755 0 40 IFAB CCOC(=O)N1CCN(C(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)CC1 9818238 BLBJXZFEVOKRCC-CMDGGOBGSA-N 428.514 2.638 0 40 IFAB CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cn2)CC1 11586174 DSBBNWQSEBOWBW-GOSISDBHSA-N 441.963 2.978 0 40 IFAB COCCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696195 SIVQTBSUNPKRPE-CQSZACIVSA-N 448.570 2.594 0 40 IFAB C[C@@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 11726690 CTKCQBVXKMIEOW-IUODEOHRSA-N 435.546 2.796 0 40 IFAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCCCCC3)CC2)Nc2ccc(Cl)cc21 12085641 RRMWIEHWLFHKAI-JOCHJYFZSA-N 432.952 2.997 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@]3(CN(C(C)=O)Cc4ccccc4O3)C2)cc1 12087146 DTXCTDMXIFVJQO-QFIPXVFZSA-N 430.526 2.660 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 12819528 ABWDCOFQLUMWFU-LJQANCHMSA-N 443.569 2.887 0 40 IFAB C[C@@H]1CCc2c(sc3ncn(C[C@H](O)COCc4ccc5c(c4)OCO5)c(=O)c23)C1 12910290 JXFGKSKJNKSNLU-HIFRSBDPSA-N 428.510 2.889 0 40 IFAB COC(=O)c1cnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 12940419 GKSRGPSZIFHSFZ-UHFFFAOYSA-N 437.543 2.676 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)c1 12942726 NBAASMAHDVNFBZ-QRWLVFNGSA-N 449.301 2.665 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3nc4ccccc4s3)nc2)CC1 13096412 TUPJYMIGARJVQN-GOSISDBHSA-N 443.598 2.969 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c1 13098987 BPFFMJVLBFZWAO-AWEZNQCLSA-N 430.555 2.762 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1OC 13566071 PWYYXOPHYSOPEH-GOSISDBHSA-N 432.542 2.763 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1OC 13566072 PWYYXOPHYSOPEH-SFHVURJKSA-N 432.542 2.763 0 40 IFAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 15440070 DGXJAIFVEGPHBJ-UHFFFAOYSA-N 432.542 2.763 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 16044810 NHPSDUVOHNOENT-UHFFFAOYSA-N 432.586 2.725 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)c1 16187928 QAVWGJQELSYMPQ-UHFFFAOYSA-N 447.340 2.948 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 16680354 LTOZCZIKKDAIMX-WHEQGISXSA-N 438.509 2.595 0 40 IFAB COc1ccc(F)cc1CN1CCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1 17205929 NTMSGSHPCMREQO-UHFFFAOYSA-N 449.552 2.872 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 18146725 JQLMROYIJZFQTK-UHFFFAOYSA-N 437.949 2.689 0 40 IFAB CSCC[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)N1C(=O)c2ccccc2C1=O 18700613 PMRJKRIVMZNWBU-GOSISDBHSA-N 446.550 2.755 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCC[C@](Cc2ccccc2-c2cncnc2)(C(=O)N(C)C)C1 19582366 MFMDCRDSWBUXNA-XMMPIXPASA-N 432.528 2.728 0 40 IFAB CCc1cc(C(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)on1 19692712 LPJBJOLSBQDEQV-HXUWFJFHSA-N 437.500 2.982 0 40 IFAB C[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 20451546 NLLMRGTVWZDSPB-CQSZACIVSA-N 438.933 2.924 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3nsnc23)cc1 21245408 DQNUYOVCXDWCPE-UHFFFAOYSA-N 448.526 2.517 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(NC(C)=O)c2)c1 22230225 OSUXALSOMLAVFY-LJQANCHMSA-N 431.514 2.754 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 23174911 XRZRJJKAHISQPI-HJFDCUHHSA-N 439.556 2.639 0 40 IFAB CCOC(=O)c1sc(NC(=O)CN2CCN(C)CC2)c(C(=O)Nc2ccccc2)c1C 23249126 GTNNPGHHRQMZCE-UHFFFAOYSA-N 444.557 2.671 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 24805276 PGJCHVCTQOEBEY-MRXNPFEDSA-N 432.542 2.967 0 40 IFAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)CNC(=O)c1ccco1 25182258 DTZCSOGXZVNXHR-UHFFFAOYSA-N 446.437 2.690 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CCn1c(=O)oc2ccccc21 26907980 NWJRNRRJTZMZHR-QFIPXVFZSA-N 431.496 2.570 0 40 IFAB CCc1ccc(NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 34878698 GXWZOQWYYLHQKV-MRXNPFEDSA-N 448.614 2.699 0 40 IFAB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccccc1F 35889441 JKBMCKGAWQMYHU-TXXWUTRGSA-N 425.847 2.910 0 40 IFAB CCn1ncc(Br)c1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36615013 SIMUXSCDVQRHCD-UHFFFAOYSA-N 426.287 2.695 0 40 IFAB CN1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)C(C)(C)N)CC1 36734327 IWRBDSYVHNRBMV-QAPCUYQASA-N 440.510 2.940 0 40 IFAB CC(C)(CO)NC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 44037881 YSCVZGLHKKLNNR-UHFFFAOYSA-N 441.347 2.680 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccn(Cc3cn4ccccc4n3)n2)CC1=O 58166362 UKKCMWLNOSIDMO-QGZVFWFLSA-N 444.495 2.969 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)n(C)c2)[C@H](Cc2ccccc2-c2ccccc2)C1=O 72351595 DVLTUOKWVJCXQR-HSZRJFAPSA-N 429.520 2.968 0 40 IFAB COC(=O)[C@@H](NC(=O)CC[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)(C)C)C(C)(C)C 79104603 LWHBZPRVAZXJPG-CGTJXYLNSA-N 442.597 2.837 0 40 IFAB CN(CCCO)C1CCN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CC1 95976278 OJJVFUQOPPFQQV-UHFFFAOYSA-N 443.519 2.762 0 40 IFAB COC(=O)c1nc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc1-c1ccc(F)cc1 96344971 PQBGVQYDLXKFTF-UHFFFAOYSA-N 446.460 2.539 0 40 IFAB COC(=O)[C@H](NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)C(C)C 96937318 OYQABFQINYYQSH-HBAHQKBISA-N 433.501 2.962 0 40 IFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 100179808 DFGLLSRSIKNJDJ-LAMIGIBBSA-N 449.507 2.519 0 40 IFAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 100739079 IIDMILQZUFCIFJ-CEXWTWQISA-N 442.585 2.980 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 105881765 SYHJUOTXUQOPJS-NDUPCHFUSA-N 448.585 2.815 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1cccc(C)c1)S(C)(=O)=O 220511290 UWWQDIYEKYWVKG-HXUWFJFHSA-N 447.557 2.555 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223617845 LCMQBASHFXTJDK-UHFFFAOYSA-N 438.509 2.856 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3cc(C)ccc3C)CC2)cc1 224051583 OBSXKTOMPRDVMK-UHFFFAOYSA-N 446.569 2.908 0 40 IFAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224308623 WDFODWLZWNCQLV-SFHVURJKSA-N 432.542 2.742 0 40 IFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 224495650 RVNRBSLQNVUYOB-UHFFFAOYSA-N 443.982 2.687 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)COc1ccc(C)cc1 225233852 ZOBGWSBRNCWDEQ-KRWDZBQOSA-N 434.558 2.770 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225403134 YBAHADXFPMIVKS-HNNXBMFYSA-N 441.915 2.880 0 40 IFAB O=C(c1ccc(OCCN2CCOCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257200920 AFJAQOVOUALACV-HSZRJFAPSA-N 447.539 2.956 0 40 IFAB COc1cc(CN2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)ccc1OCC(N)=O 257322470 WGCKYJZIHDURAP-NRFANRHFSA-N 449.511 2.666 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260895070 GUHJKKBNGDVYEU-MSOLQXFVSA-N 432.542 2.680 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 408627069 XUTSEZPSZKCJEN-LLVKDONJSA-N 428.894 2.671 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2Cl)cc1 409063184 IGTMQUCZFYGBSF-UHFFFAOYSA-N 435.977 2.613 0 40 IFAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)Cc2noc3ccccc23)CCO1 585287162 VEMVGFHYAHLVSV-QFIPXVFZSA-N 443.887 2.576 0 40 IFAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)C[C@H]2C1 1228281434 NKXWCSOHOLAICM-JCECYMMASA-N 443.610 2.677 0 40 IFAB O=C(Cn1c(S)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1)NCc1ccc(F)cc1 1889264630 IFRYFDBZIOZOFB-QGZVFWFLSA-N 439.516 2.538 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)c1 642320 KLNSPHNTSZOGCT-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 807311 JSHZJITTYPSLEQ-UHFFFAOYSA-N 449.548 2.630 0 40 IFAB COc1ccc2cc(CN(CCO)S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]c2c1 917929 WDBHNNLLXVQJJL-UHFFFAOYSA-N 436.917 2.682 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)nc(OC)n1 942417 HNXCPNSVBAPKCH-UHFFFAOYSA-N 432.433 2.686 0 40 IFAB CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CC)C(=O)NC2CCCC2)cc1 6822112 PSQMQRFDRFDBHV-MRXNPFEDSA-N 443.573 2.871 0 40 IFAB COc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 8703874 ZIOCIJSFEXUOAX-UHFFFAOYSA-N 434.514 2.514 0 40 IFAB Cc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1NC(=O)c1ccco1 9129444 MABPAAZKWRHDOW-UHFFFAOYSA-N 433.420 2.982 0 40 IFAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC[C@H]1COc2ccccc2O1 9222144 XDQAQGLYVNJOEZ-INIZCTEOSA-N 433.493 2.864 0 40 IFAB COc1ccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)cc1Cl 9224626 PQPXQYQPIVSAIA-UHFFFAOYSA-N 441.912 2.879 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)C2CC2)cc1 9253125 PWWIHNMNXORXIX-VWLOTQADSA-N 433.508 2.970 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1 9302432 DOKZNUMYWHNOHH-UHFFFAOYSA-N 446.558 2.809 0 40 IFAB CCOc1ccc(C[C@@H]2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 9424400 IBRGYKGYOAKBLO-GOSISDBHSA-N 426.469 2.582 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OS(=O)(=O)c1cccs1 9761735 OTDSRACTSAONTD-UHFFFAOYSA-N 440.886 2.892 0 40 IFAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)NN1C(=O)NC2(CCCCC2)C1=O 9816939 RDFHOVDHCJZKLW-UHFFFAOYSA-N 446.558 2.720 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)CCc5ccccc5)CC4)ncnc32)c1 9851089 HWBAVJLGWGZMPK-UHFFFAOYSA-N 443.511 2.501 0 40 IFAB CCOc1cc2c(cc1OCC)CN(C(=O)CCc1c(C)nc3nc(N)nn3c1C)CC2 9990007 SERCWCAKBHYBAU-UHFFFAOYSA-N 438.532 2.638 0 40 IFAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 10932110 VBNZBIZZVCVGFX-HNNXBMFYSA-N 435.473 2.583 0 40 IFAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451782 UZRWRFNIAUGXMO-MRXNPFEDSA-N 426.947 2.675 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3cccs3)CC1)O2 12086656 VSNVQCORJCUTMY-HJPURHCSSA-N 441.553 2.635 0 40 IFAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cccnc4)CC3)n2)C1 12133506 CFXINFULQZNGTL-MRXNPFEDSA-N 443.573 2.531 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 12625553 FSTRBYBGCITDBN-UHFFFAOYSA-N 432.933 2.765 0 40 IFAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H](C)O1 12631714 STSYDKZAZRNIJR-MJBXVCDLSA-N 434.890 2.900 0 40 IFAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCNC(=O)c1ccccc1OC 12910460 JYLQMNXHURZBRB-UHFFFAOYSA-N 427.501 2.701 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 13598209 RAHOJOCYFDAYDV-UHFFFAOYSA-N 429.498 2.820 0 40 IFAB COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2C)c1 13956705 JVJJPQKARWSNKH-UHFFFAOYSA-N 447.467 2.763 0 40 IFAB Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 14158063 CXQFTKPUSOFZSC-ZNKOEICNSA-N 446.613 2.861 0 40 IFAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1Cc1ccccc1 15958532 RRORDPXZKYSTKN-IILZIBOQSA-N 437.499 2.850 0 40 IFAB biogenic CC(=O)N1CCN(C(=O)CCC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 17153030 CZMAGHBWMVHGLM-UHFFFAOYSA-N 442.512 2.739 0 40 IFAB CCOc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)CC)C2 19499136 KOHZZYLRQOVQRY-IBGZPJMESA-N 438.528 2.831 0 40 IFAB O=C(CCN1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1)N1CCOCC1 19692881 LSNOGUVUNSTFMS-JOCHJYFZSA-N 429.948 2.948 0 40 IFAB CN1CCN(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)c3ccccc32)CC1 20414352 TXIHOTHCKULFLC-AREMUKBSSA-N 433.552 2.578 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1 20713883 JQHKVNKETXJBOQ-DEOSSOPVSA-N 428.536 2.767 0 40 IFAB COc1cc2ncn(CC(=O)Nc3ccc(Br)cc3F)c(=O)c2cc1OC 20746011 DZFZLVPMMILCPT-UHFFFAOYSA-N 436.237 2.954 0 40 IFAB CCCCOCCCNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 20857368 ABRKAESQHQUMMI-UHFFFAOYSA-N 442.578 2.620 0 40 IFAB CC(C)CN(C(=O)COC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 21121149 DQSQJCGHKQIZPI-SFHVURJKSA-N 439.574 2.578 0 40 IFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21329547 WZCCGBGUVOKRAO-UHFFFAOYSA-N 446.551 2.785 0 40 IFAB O=C(NCc1cn2ccccc2n1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 23129784 CQMDGQBYAPXRDX-UHFFFAOYSA-N 440.550 2.847 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2csc(C)n2)CC1 24468545 ZMRYQXCXJFIXMB-UHFFFAOYSA-N 446.392 2.729 0 40 IFAB CCCCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)[C@H]1CCS(=O)(=O)C1 24840178 SBWWVZVMXJRUKB-SFHVURJKSA-N 439.537 2.815 0 40 IFAB COc1ccc(-n2ncc(C(=O)NC[C@H](c3ccsc3)N(C)C)c2C(F)(F)F)nn1 25332286 RFEBQIJZETVGTO-CYBMUJFWSA-N 440.451 2.784 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)CC1 26120471 BQNXEMRSFBKNKX-UHFFFAOYSA-N 425.620 2.751 0 40 IFAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 28226940 MTBPMKJXBACMFE-NSHDSACASA-N 447.259 2.673 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCn2c1nc1ccccc12 30794840 FPFLULLTTHJSIU-HNNXBMFYSA-N 428.489 2.623 0 40 IFAB Cn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)c1 31808177 OBFRHGJTNBPTIQ-UHFFFAOYSA-N 431.905 2.829 0 40 IFAB CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 32780661 AHGZUYAQVCMWOR-APWZRJJASA-N 434.945 2.847 0 40 IFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 40390661 WNHOVOOWMZLAPO-SFHVURJKSA-N 429.480 2.706 0 40 IFAB COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO 57774452 IJQKWVHSIMOULQ-YGOYIFOWSA-N 439.556 2.831 0 40 IFAB CC(C)[C@H](C(=O)N1CCC(C(=O)Nc2ccccn2)CC1)n1nnc(-c2ccccc2)n1 60016589 OWLWULCVYWVSKY-HXUWFJFHSA-N 433.516 2.810 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(CC)cc1 67286540 JCUVHQHLUVKOBM-RXVVDRJESA-N 443.544 2.695 0 40 IFAB CC(C)[C@H](Cn1c(=O)oc2ccccc21)NC(=O)CCc1nn(C)c(=O)c2ccccc12 72324350 NBGCUGAFFIMTOO-IBGZPJMESA-N 434.496 2.615 0 40 IFAB CC(=O)N(CCC(=O)NCc1nc2ncc(Br)cc2[nH]1)Cc1ccccc1 78879063 AYEVUZMLBGMAOI-UHFFFAOYSA-N 430.306 2.775 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C[C@@H](C)O1 90503017 GLICYGCVGVNGFL-CHWSQXEVSA-N 432.527 2.742 0 40 IFAB NC(=O)[C@@H]1CN(Cc2nnc(C3CCC3)o2)c2ccccc2N1Cc1nnc(C2CCC2)o1 95979970 KVYXTYBBTFFIEL-SFHVURJKSA-N 449.515 2.868 0 40 IFAB CC(C)CCN1[C@H]2CCN(C(=O)c3cc[nH]n3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263938 IIVBBWVMOIUCQZ-ROUUACIJSA-N 432.546 2.512 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccncc3)CC2)Nc2ccccc21 100117624 BRILTJZWWSUMNT-UYFZRMNSSA-N 445.567 2.714 0 40 IFAB CC(C)N1CCC(c2cc(O)n3nc([C@@H]4CCCN4C(=O)[C@H]4CCCO4)cc3n2)CC1 100232793 DDKQLJWCWZEBOJ-VQTJNVASSA-N 427.549 2.865 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]21 101168960 YPQAKBDAVJYAFS-RBUKOAKNSA-N 441.875 2.843 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O 220474323 CKZVGZNVQQQAQZ-HNNXBMFYSA-N 433.505 2.855 0 40 IFAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222840952 TVCZDZGTGUAOJY-LJQANCHMSA-N 443.975 2.748 0 40 IFAB CC(C)CSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)s1 225791196 PJPCWCXKJHBVEO-UHFFFAOYSA-N 429.593 2.538 0 40 IFAB COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1S(N)(=O)=O 226044676 LBUDIIZNPIJJTR-UHFFFAOYSA-N 430.486 2.692 0 40 IFAB COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 231643077 FXGOZSQZXFQEMS-BZLDKRAPSA-N 430.551 2.863 0 40 IFAB COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229799 FXGOZSQZXFQEMS-KYFSNAEOSA-N 430.551 2.863 0 40 IFAB O=C(COc1ccc(/C=c2\sc3ncnn3c2=O)cc1)Nc1cccc(C(F)(F)F)c1 256055415 GINLPRQVRZCCRW-PXNMLYILSA-N 446.410 2.735 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCc2c(C)noc2C)(c2ccccc2)CC[C@@H]1O 257212678 CEMUHTWWRYUZAY-FIXSFTCYSA-N 427.545 2.718 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2cn3c(C)cccc3n2)(c2ccccc2)CC[C@@H]1O 257246725 IVODAOYQYQWZRO-XTJBDQBJSA-N 434.540 2.750 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2Cl)cc1 408617213 ISUYEPKGRJHAHE-UHFFFAOYSA-N 437.949 2.511 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1C(F)(F)F 408659380 JKKFXIWNUPKDSG-GNTOHDJUSA-N 438.402 2.608 0 40 IFAB O=C1CN(C(=O)c2ccc(NC(=O)c3ccccc3-n3cnnn3)cc2)c2ccccc2N1 500931731 AMNAJRWPTDHCBM-UHFFFAOYSA-N 439.435 2.514 0 40 IFAB COC1CCN([C@H]2[C@H](NC(=O)c3cccc(F)c3)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585262305 PHDZKUMOBKAJBD-LUKWVAJMSA-N 428.504 2.616 0 40 IFAB CC(C)CN1CCOCCOc2ccc(C(=O)N3CC(O)C3)cc2Cc2cccc(c2)C1 643580590 XJYSPHQIABAPIZ-UHFFFAOYSA-N 438.568 2.961 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc2c(c1)OCO2 2656669 VXIIOTCCORGBDB-UHFFFAOYSA-N 446.459 2.672 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1cc2ccccc2o1 3297217 DCKCSANJTKROTD-UHFFFAOYSA-N 443.477 2.802 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)N1CCc2ccccc21 3453804 CDGLDVQATRYNJL-UHFFFAOYSA-N 442.537 2.916 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 8451312 LQRNSHULXFSFPP-FNGUVFISSA-N 449.532 2.592 0 40 IFAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 8747234 WDXHAQJTSKDKOY-JTQLQIEISA-N 442.467 2.616 0 40 IFAB Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(C(=O)N(C)c2ccccc21)N(C[C@H]1CCCO1)C3=O 8917026 MJJXOFCZCPJQMF-BZQUYTCOSA-N 430.460 2.956 0 40 IFAB biogenic CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 9304095 IBNDXLOODJGBRG-MJGOQNOKSA-N 441.871 2.954 0 40 IFAB O=c1[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1-c1cccc(C(F)(F)F)c1 9319026 IOMGYLGNCSOTCA-SFHVURJKSA-N 442.397 2.967 0 40 IFAB biogenic CCCCn1c(=O)n(CC(=O)Nc2ccccc2F)c(=O)c2c1ncn2Cc1ccco1 9439624 QBLKKYWQFHNABT-UHFFFAOYSA-N 439.447 2.579 0 40 IFAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)S1 9440528 ROTWZHSEXNQBSN-QGZVFWFLSA-N 428.514 2.878 0 40 IFAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9595098 CZVGOOMEMFJUEI-XNTDXEJSSA-N 440.500 2.770 0 40 IFAB O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Oc2ccccc2)cc1 9865732 PXLSCEDHVUJRSY-UHFFFAOYSA-N 433.464 2.786 0 40 IFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 10512481 ONYGDLXPPQIXRJ-UHFFFAOYSA-N 435.930 2.962 0 40 IFAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451779 UZRWRFNIAUGXMO-INIZCTEOSA-N 426.947 2.675 0 40 IFAB O=C(NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)c1cccs1 11666022 XAXUIKVLJVPXDF-UHFFFAOYSA-N 433.541 2.644 0 40 IFAB O=C(COc1ccc(F)cc1F)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11694586 BANXZNGIHCYZIB-UHFFFAOYSA-N 443.385 2.783 0 40 IFAB COCCn1c(S[C@@H]2CCCCNC2=O)nc2ccc(Br)cc2c1=O 11971855 PMDZJRYAALDLIH-CQSZACIVSA-N 426.336 2.566 0 40 IFAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 11998559 OVOXTPHEEWZGMX-IBGZPJMESA-N 439.537 2.891 0 40 IFAB CN(C)c1nc2c(c(N3CCN(C(=O)c4ccco4)CC3)n1)CN(Cc1ccccc1)CC2 12183211 UWZPSPIUJQAMMO-UHFFFAOYSA-N 446.555 2.656 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 12185092 DFGLLSRSIKNJDJ-VMTLLXLJSA-N 449.507 2.519 0 40 IFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccco3)C(=O)c3cccs3)ccc21 12293372 QRVQZJMVRXPCOV-UHFFFAOYSA-N 431.495 2.563 0 40 IFAB CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12406361 DYPWYALADNLMHN-BLDNINTCSA-N 433.379 2.920 0 40 IFAB biogenic COc1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1NS(C)(=O)=O 12525986 YEJDNHSLXIMXAM-UHFFFAOYSA-N 449.348 2.938 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCc2ccncc2)c1 12663945 DIEIZJPMGOLMGZ-KRWDZBQOSA-N 432.509 2.639 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12805887 AFCVYTWXTSVZND-WMLDXEAASA-N 448.416 2.995 0 40 IFAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1 12930088 NHEDCZCYYSNOQV-SFHVURJKSA-N 425.348 2.801 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C)N1C(=O)c2ccccc2C1=O 13149600 CBIUMCNXKYONIF-JCGIZDLHSA-N 432.542 2.642 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1 13424607 HMOOHAJODBTTHZ-QWCYLASJSA-N 429.472 2.831 0 40 IFAB COc1cc(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 13786875 NLACMHYFLYZEBK-GOSISDBHSA-N 433.526 2.850 0 40 IFAB O=C(Nc1ccc(Br)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15008396 MMRTYPOPHXLUAD-UHFFFAOYSA-N 443.294 2.861 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCn2c(C)nc3ccccc32)ccc1OC 15136105 VYFWNIMNAMGAQQ-UHFFFAOYSA-N 444.557 2.814 0 40 IFAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(C)cc2)c1 17041834 INSDHEOTDNWDTD-UHFFFAOYSA-N 435.509 2.844 0 40 IFAB COc1ccc2c(c1)C1=C([C@H](c3cn(C)nc3C)n3ncnc3N1)[C@H](c1cn(C)nc1C)O2 19640718 ZOIDONDNZFLRHI-VXKWHMMOSA-N 444.499 2.930 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 19694598 GIXAMZRZJJSJAI-KRWDZBQOSA-N 433.553 2.869 0 40 IFAB O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 19817566 LGMMLZHDHGLVGR-QAPCUYQASA-N 434.452 2.861 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 19868462 BODWPFDUWRMVIX-UHFFFAOYSA-N 434.489 2.793 0 40 IFAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 20110663 GXVZXPLBHGXSEN-SFHVURJKSA-N 426.542 2.960 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22332780 YLAKOEIECFIKIN-GOSISDBHSA-N 436.530 2.746 0 40 IFAB O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCO2 22449227 XFZCQZMKSZLLQJ-UHFFFAOYSA-N 431.391 2.972 0 40 IFAB COC(=O)C1(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)CCCCC1 22475777 VGZMIYHPBGRUFF-UHFFFAOYSA-N 436.324 2.621 0 40 IFAB O=C(c1cccc(I)c1)N1CCN(C(=O)N2CCCCC2)CC1 22476448 ZCDYVADRFGAZQS-UHFFFAOYSA-N 427.286 2.655 0 40 IFAB CCN(CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)C(=O)OC(C)(C)C 36393904 FANJJDLPKQEUCT-MRXNPFEDSA-N 449.548 2.820 0 40 IFAB O=C(c1ccc(Cl)cc1)[C@@H](O)[C@H]1O[C@@](O)(Cl)C[C@@]1(O)C(=O)c1ccc(Cl)cc1 44563602 RVWBDHDMEWROTH-NXWXRZEISA-N 445.682 2.825 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1 57507059 RFDPSDVFAUOROZ-UHFFFAOYSA-N 429.527 2.856 0 40 IFAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1 69349482 OFRIEGDHRYTZLY-UHFFFAOYSA-N 445.405 2.671 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc(C4CCN(C5CCOCC5)CC4)[nH]c(=O)c3C2)s1 72398888 LMMPTEOHZZGWGZ-UHFFFAOYSA-N 442.585 2.697 0 40 IFAB CC1CCN(c2ccc(C(=O)N(C)C[C@H](O)CN3CCc4ccccc4CC3)cn2)CC1 95446572 OYWYREMSKSMKAB-DEOSSOPVSA-N 436.600 2.852 0 40 IFAB COc1ccc(CCc2n[nH]c(NC(=O)Cc3ccc4c(c3)OCCCO4)n2)cc1OC 95473399 PSVMGHDYNPQTDR-UHFFFAOYSA-N 438.484 2.950 0 40 IFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2 96144972 GQUCMTVMFCYWLS-UHFFFAOYSA-N 434.544 2.759 0 40 IFAB Cc1cc([C@H](NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 108165352 OQTSXKXUHFJUBJ-BBTUJRGHSA-N 442.647 2.846 0 40 IFAB CN(c1ccc(OCC(=O)NCCOc2ccc3ccccc3c2)cc1)S(C)(=O)=O 223642260 SAIQWMFRTDFVOK-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccccc1C(C)C)CN2S(C)(=O)=O 223791475 IUIPCWBUWXAEBU-OAQYLSRUSA-N 432.542 2.841 0 40 IFAB C[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 223886286 ZPGABBRSOFCQNZ-GFCCVEGCSA-N 444.962 2.630 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)ccc1OC 223905815 ZYWYOJBSLHSFBG-UHFFFAOYSA-N 444.513 2.624 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)CC1 224413790 GYTVTXPDAAJZAC-UHFFFAOYSA-N 430.526 2.533 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225010552 QGDGWPBOCSRTBE-AWEZNQCLSA-N 439.484 2.595 0 40 IFAB C[C@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225668717 BEWJIVXOKYBHGA-GFCCVEGCSA-N 432.876 2.968 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H](Cc2cccc(-c3ccc(C)cc3C)c2)C1=O 257319645 VTLPGYTWLNLYNG-HSZRJFAPSA-N 444.535 2.969 0 40 IFAB O=C(c1ccco1)N1CCN(CC2CC2)[C@@H](c2cn3c(N4CCOCC4)cccc3n2)C1 306123349 AKQBJVCISXERAP-HXUWFJFHSA-N 435.528 2.673 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408657775 HPCCYZGYCRUECR-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 408669091 MRIUVBYYKAEIAS-INIZCTEOSA-N 426.469 2.855 0 40 IFAB O[C@H](CN=c1[nH]c(=NC[C@H](O)Cc2ccccc2)c2ccccc2[nH]1)Cc1ccccc1 511459940 HACPVMVSBJPQJE-YADHBBJMSA-N 428.536 2.505 0 40 IFAB COc1ccc(OC)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1 3363014 FZOIGUDNUCIBHK-UHFFFAOYSA-N 436.306 2.975 0 40 IFAB C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)N1CCN(c2ccccc2)CC1 8721477 VDGUDRHYWMXKPS-MRXNPFEDSA-N 440.548 2.551 0 40 IFAB Cc1c(CC(=O)NCCNC(=O)c2ccncc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8764519 HOPKZBRYJHSLJZ-UHFFFAOYSA-N 449.507 2.689 0 40 IFAB biogenic O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 9569825 SLWOFLGUHPUTDY-UHFFFAOYSA-N 443.903 2.500 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(F)c3)C2)c1 9673782 FHZSXBTVIHGXTJ-GOSISDBHSA-N 433.461 2.740 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2ncsc2c1 9963001 SUEYTBZADOMQMQ-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1NS(C)(=O)=O 10112900 IAGOXCRRBMIONV-UHFFFAOYSA-N 438.509 2.944 0 40 IFAB CCOC(CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)OCC 10220744 KASZQGHDIFAOGP-UHFFFAOYSA-N 445.541 2.795 0 40 IFAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc4c(c3)NC(=O)CS4)nc(N)c12 10621109 HVRIDYPSMUUKRT-UHFFFAOYSA-N 442.453 2.691 0 40 IFAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(F)ccc21 11726383 ZZDRURFUSGMWPU-LSDHQDQOSA-N 449.529 2.624 0 40 IFAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H]4CC(=O)OC45CCCC5)nn3cn2)cc1 12085100 CNOIBDJACLPSFV-PBHICJAKSA-N 435.484 2.853 0 40 IFAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2nc3ccccc3s2)cc1 12711977 ZWAIGLMVQKWVKU-UHFFFAOYSA-N 425.499 2.961 0 40 IFAB CN(CC(=O)NC[C@@H](c1cccs1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 12779915 LCSXAHSXMRYPKH-KRWDZBQOSA-N 442.006 2.975 0 40 IFAB Cc1cc(-c2nnc(CN(C)Cc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)o2)c(C)o1 12786284 LKVJYQRNWQDEPA-MRXNPFEDSA-N 433.534 2.751 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(Cl)cc12 12890464 KHMHKCOWJSAGRF-CABCVRRESA-N 440.883 2.941 0 40 IFAB biogenic C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC(NC(=O)c3ccccc3)CC2)C1=O 13008194 HFUNYNKWXQZYOO-AREMUKBSSA-N 446.551 2.794 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC)c(OC)c2)c1 13058582 NEKNAELBXPFREO-UHFFFAOYSA-N 449.573 2.805 0 40 IFAB COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 13608676 UGYNHYDOCGGZNY-JOCHJYFZSA-N 428.485 2.933 0 40 IFAB biogenic CCN1CCN(C(=O)c2nnc3c(-c4ccc(Br)cc4)c(C)nn3c2C)CC1 13635810 PZUHCFUJUPBZNU-UHFFFAOYSA-N 443.349 2.948 0 40 IFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 13680248 ZAXWNWRTHDBTCX-UHFFFAOYSA-N 433.530 2.774 0 40 IFAB CCc1ccccc1NC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 15557763 BJDYCVQDBKLFTH-UHFFFAOYSA-N 429.542 2.710 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)CCc5ccccc5)CC4)ncnc32)cc1 15883986 HHJOIRRDZGDGOT-UHFFFAOYSA-N 427.512 2.800 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 15934642 JPTKBPLPXVYBSR-AWEZNQCLSA-N 431.439 2.814 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)Cn4ccc5ccc(F)cc54)[C@H]3C2)cc1 19211766 NBQVNTUEIAHOGY-QMMLZNLJSA-N 441.528 2.914 0 40 IFAB Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19237069 JEGCUPFLLUQKCM-QHCPKHFHSA-N 443.551 2.938 0 40 IFAB COc1cccc2c1OC[C@@H](C(=O)N[C@@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)C2 19445569 OLYYDILLHPHVSE-HRAATJIYSA-N 434.496 2.905 0 40 IFAB CC(C)N1CCc2c(nc([C@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2=O)C1 19448435 RYEQZHLLQCVYJY-OAQYLSRUSA-N 442.585 2.551 0 40 IFAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 19573356 DENGEWGAXVJUQO-UHFFFAOYSA-N 445.932 2.943 0 40 IFAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)[C@H]3CCCO3)nc21 19698405 CQGLRHSNKUNTPV-HXUWFJFHSA-N 438.528 2.589 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2ccnc3c(Cn4cncn4)c(C)nn23)C1 19707651 NKWZISMNFNBINA-LJQANCHMSA-N 445.527 2.689 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2F)n1 19709837 ZYISROKEJORKFS-SFHVURJKSA-N 447.486 2.907 0 40 IFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2c1CCC(=O)N2C 19739466 KCCVYOIYGMCRTQ-CQSZACIVSA-N 434.949 2.916 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1CCCN1CCOCC1 19861573 AXKVJTFILDQATN-OAQYLSRUSA-N 438.455 2.905 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)CC1 19937680 GHVZUZZFEAVHEN-UHFFFAOYSA-N 438.915 2.990 0 40 IFAB COc1ccc(CCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 20237647 CNXVBUHYKRSCKZ-UHFFFAOYSA-N 441.347 2.583 0 40 IFAB Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CCCN1CCOCC1 20646859 HQRHMQUEAMYJNL-UHFFFAOYSA-N 428.558 2.888 0 40 IFAB O=C(CCSc1nnc(CN2CCCC2=O)n1-c1ccccn1)NC1CCCCC1 21481327 QYANYWYYYFPEIH-UHFFFAOYSA-N 428.562 2.716 0 40 IFAB C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(Cl)c1Cl 23078877 IVOWEJSZHFSNNK-JTQLQIEISA-N 428.272 2.728 0 40 IFAB COc1ccc(Cc2nnc(SCc3nc4sc(C)c(C)c4c(=O)[nH]3)n2N)cc1 23294109 UQZBODZPPPOVBY-UHFFFAOYSA-N 428.543 2.798 0 40 IFAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 24974612 MNUAOVFMXDIKBH-RDTXWAMCSA-N 437.448 2.898 0 40 IFAB CC(C)(CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCOCC1 27248730 OAQJRAVTRLXTIA-UHFFFAOYSA-N 441.557 2.846 0 40 IFAB COc1ccc(CNC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 28301725 JLGKSGQQKWKSNR-VQHVLOKHSA-N 445.468 2.602 0 40 IFAB C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32776909 PQZHVDCQKPBODG-OAHLLOKOSA-N 444.509 2.542 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)C[C@@H]4OC(=O)c5ccccc54)CC3)n2)cc1 32891438 ZAAQVEXTGDUJNH-FQEVSTJZSA-N 432.480 2.991 0 40 IFAB Cc1ccc(-c2nc(C)c(C(=O)NCCCN3CCN(c4ncccn4)CC3)s2)o1 32976716 CDFPIHMBGFEXDQ-UHFFFAOYSA-N 426.546 2.752 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)c(C)c1 48332479 CFBVNTRECBQTMK-QFIPXVFZSA-N 441.597 2.801 0 40 IFAB Cc1cc(C)n(-c2cc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)ncn2)n1 49404250 UJUTWUDBYJGIRK-UHFFFAOYSA-N 426.521 2.859 0 40 IFAB O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CN(c2nc3c(F)cccc3s2)C1 62023154 CHZVGLYJVDWNNY-UHFFFAOYSA-N 439.472 2.505 0 40 IFAB CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)c2ccccc2)C3)CC1 72345764 AFUGLDKNSWRIPH-QFIPXVFZSA-N 441.597 2.735 0 40 IFAB O=C1c2cc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)ccc2OCC[C@@H]2CCCCN12 96025911 YKIWXZKPKQAJMO-AWEZNQCLSA-N 443.481 2.699 0 40 IFAB CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C(C)C)CC4)C1 100234515 UHRJJINEMXFVHU-HOTGVXAUSA-N 427.549 2.728 0 40 IFAB O=C(c1cccc(Cl)c1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)[nH]c3n2)CC1 102463609 YBUHQYAFGDDMKI-UHFFFAOYSA-N 448.914 2.696 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC)cc3)cc2)CC1 222879281 WMRCFFALLJAGFW-UHFFFAOYSA-N 430.526 2.761 0 40 IFAB COc1ccccc1CNC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223384572 KVAJCCCIVAKBMF-UHFFFAOYSA-N 440.525 2.544 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 223651350 KOEVDKBHGZHRBZ-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 223875718 UHGVFWUYVVJSOB-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c1 224598450 OEXCHJCOYFNUER-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225223427 RUJKBDXXBSPLAV-IBGZPJMESA-N 445.585 2.541 0 40 IFAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 257211947 CBFCTVGMHUNDFP-IBGZPJMESA-N 434.566 2.500 0 40 IFAB Cc1nc2cc([C@@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 257251341 JQJFUIHYSSIIOO-OAQYLSRUSA-N 448.571 2.522 0 40 IFAB O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3cccc4cccnc34)C2)O1)c1cccnc1 306128228 GURWNRFTFJVEDT-RCZVLFRGSA-N 432.524 2.810 0 40 IFAB COC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 408622585 PHFYGEVGWCOUCE-GOSISDBHSA-N 434.558 2.967 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 409061496 YCHOHOWMNGWGOF-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CN(c5ccc(C(C)(C)C)nn5)C[C@H]4C3)nn2)n1 1888897846 IZDUBSUIUXZWKU-ROUUACIJSA-N 446.559 2.575 0 40 IFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)c(OC)c2)c(OC)c1 909788 YADOZGPQCVZIJC-FQEVSTJZSA-N 427.457 2.988 0 40 IFAB CC(C)NC(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12 1325823 SGXBMZFNYXBGOC-UHFFFAOYSA-N 428.562 2.750 0 40 IFAB CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)o2)cc1 1329693 BPZJNEBNYDOZLG-UHFFFAOYSA-N 446.554 2.949 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 3287374 CGXRVUIDAJDESQ-FQEVSTJZSA-N 431.395 2.890 0 40 IFAB COc1ccc(CCNC(=O)NC[C@H]2CN(c3ccc(OC)c(OC)c3)C(=O)O2)cc1 8868440 ZHKPIFSRONPBDO-SFHVURJKSA-N 429.473 2.580 0 40 IFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cc(OC)cc(OC)c1 8940407 HMOJGNITGGXNTQ-UHFFFAOYSA-N 430.534 2.817 0 40 IFAB COc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)CCC(=O)O 9060542 XSVKSSFUIFEXDZ-SFHVURJKSA-N 445.497 2.609 0 40 IFAB O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 9061069 NUDFDUMBRMRBAI-DCXXXQMHSA-N 429.398 2.703 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)cc1 9095637 DKNCMVXWABYPPL-QGZVFWFLSA-N 444.557 2.884 0 40 IFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)cc2C)C1=O 9170053 RYOIJGAARHNELB-QHCPKHFHSA-N 438.484 2.817 0 40 IFAB Cn1c(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)nc2ccccc21 9202499 RBZLIWPZPYARED-KRWDZBQOSA-N 429.567 2.881 0 40 IFAB Cc1cc(S(=O)(=O)N2CCN(C(=O)NC3CCCC3)CC2)ccc1Br 9642148 SBSMOOSPWWZTLM-UHFFFAOYSA-N 430.368 2.716 0 40 IFAB COc1cc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 9730343 SCKHUZDFAANDHD-XMHCIUCPSA-N 433.505 2.788 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2C)cc1 9745341 MOJIFXDDTYKEOT-IBGZPJMESA-N 443.569 2.992 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9847218 RHRZPLPMNMMDAG-GZTJUZNOSA-N 429.542 2.751 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1 9961332 DIWIPYCLHWEQEO-CVEARBPZSA-N 434.514 2.711 0 40 IFAB CS(=O)(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 11362556 IJZPTOYDKIMERG-SFHVURJKSA-N 427.482 2.631 0 40 IFAB CCc1c(C)nc(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[nH]c1=O 12114046 KVGQZKJMPPHZDS-UHFFFAOYSA-N 444.479 2.925 0 40 IFAB COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(OC)c1 12219513 ALJRRBXMDIXKMA-IBGZPJMESA-N 437.544 2.964 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1cccnc1 12325178 LQWZQZUEIUZBRK-QFIPXVFZSA-N 432.499 2.911 0 40 IFAB Cc1ccc(N2CCN(C(=O)CCC3=Nc4ccccc4S(=O)(=O)N3)C[C@H]2C)cc1 12416068 CCZCTDYPJXOJDJ-QGZVFWFLSA-N 426.542 2.834 0 40 IFAB O=C(OCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12781521 YKHPNXKZNUZZAS-UHFFFAOYSA-N 425.453 2.988 0 40 IFAB CCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(OCCOC)c(Cl)cc1Cl 12858673 BWWJKXIATKJVFK-MHZLTWQESA-N 439.361 2.574 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 12860617 OCYOANJQAUQUSY-NZQKXSOJSA-N 439.531 2.931 0 40 IFAB CCc1ccc([C@H](C)NC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12871277 WQKNRXCAHKHWPA-SFHVURJKSA-N 447.576 2.962 0 40 IFAB CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)c(C)c(C)c13)CCC(C)(C)O2)C(=O)O 12890561 AGEULVVWOXRTAK-AWEZNQCLSA-N 449.525 2.825 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 13127196 LSWIWYBLZFPMBE-QGZVFWFLSA-N 426.542 2.689 0 40 IFAB CCOc1ccccc1N1CCN([C@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)CC1 14733176 UXIYGBLILMQZEM-IBGZPJMESA-N 437.588 2.734 0 40 IFAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O[C@@H](C)C(=O)O 16606787 ZSWLHFCJYIPSAS-HXPMCKFVSA-N 443.431 2.953 0 40 IFAB Cc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c(C)c1 19132601 GYZACNVWJMXEOD-DEOSSOPVSA-N 443.613 2.871 0 40 IFAB O=C(CCn1cnnn1)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692336 CHDCOYJETUQTEC-IBGZPJMESA-N 446.433 2.668 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cn(C)nc2C)CCO1 19697676 RARQVNKIUOYHDX-SFHVURJKSA-N 428.558 2.893 0 40 IFAB COCCC(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1c[nH]c3ccccc13)C(=O)CC2 19698429 GBHKGNJLJGOXFY-UHFFFAOYSA-N 435.528 2.783 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCc2nc(N)c(C(=O)Nc3ccc(F)cc3)cc2C1 19701157 JLHLFHMPFDVRSP-UHFFFAOYSA-N 449.486 2.569 0 40 IFAB Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](NC(=O)C1CCCC1)C2 19749640 DIQZNULDTUBWLK-HXUWFJFHSA-N 444.601 2.631 0 40 IFAB COc1cc(C(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc(OC)c1OC 20726991 AJCBBRHSWYZUTQ-UHFFFAOYSA-N 437.496 2.802 0 40 IFAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 21600814 GSFWPNZSIUACGQ-HZPDHXFCSA-N 425.460 2.726 0 40 IFAB O=C(CSc1nc(=O)n([C@@H]2CCS(=O)(=O)C2)c2c1CCC2)c1ccc(Cl)cc1 21800751 VHPMXWCLCHIIGO-CQSZACIVSA-N 438.958 2.720 0 40 IFAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N1CCc2sccc2C1 22182987 NFFYDRUFKPAPTH-UHFFFAOYSA-N 434.521 2.981 0 40 IFAB CCCNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C 23277508 TVZTVPNEJJWVRV-SMDDNHRTSA-N 439.361 2.754 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1 23381258 UTCBFPARJJLSPT-UHFFFAOYSA-N 443.495 2.853 0 40 IFAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccncc2)CC1 23848018 WNGJNRUBFHAFIM-SANMLTNESA-N 441.535 2.851 0 40 IFAB Cc1sc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)nc1-c1ccc(F)cc1 24764066 OUWWWUCEKIBNBD-UHFFFAOYSA-N 438.492 2.945 0 40 IFAB Cc1ccc(N2N=C(C(=O)Nc3cccc(S(=O)(=O)C4CCCC4)c3)NCC2=O)cc1 25140137 SVRASDABMLBHPW-UHFFFAOYSA-N 440.525 2.600 0 40 IFAB O=S(=O)(c1cccs1)N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 25480646 ZGRQDZYMXGUTTC-ICSRJNTNSA-N 436.599 2.510 0 40 IFAB CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)c2C)nn1 26428128 LESKDEJNCPKKTQ-MRXNPFEDSA-N 435.484 2.894 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 31390948 KKFYJHYZLHLJTL-QHCPKHFHSA-N 438.572 2.856 0 40 IFAB COc1ccc(NC(=O)CN(C)CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 32753387 HSDMDGJSCQOTGV-DEOSSOPVSA-N 441.528 2.850 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 32837353 LYBKYHXDDQVMDB-JOCHJYFZSA-N 438.553 2.709 0 40 IFAB CCCNC(=O)[C@H]1CN(C(=O)CCCn2cnc3c(C)cccc3c2=O)c2ccccc2O1 32847889 MPSJCIUTODLPIX-OAQYLSRUSA-N 448.523 2.806 0 40 IFAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 36700182 QGGUQWHFLNBNNG-NRFANRHFSA-N 431.558 2.777 0 40 IFAB CCOCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 57388150 LJLHXJXWVXKXNV-UHFFFAOYSA-N 447.539 2.662 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@H]1c1ccccc1 57414290 KSCNIVMWRFIDNT-NRFANRHFSA-N 440.931 2.943 0 40 IFAB CCOC(=O)c1oc2ccccc2c1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 58289773 UUBKNMGVDIKAGL-UHFFFAOYSA-N 430.438 2.533 0 40 IFAB CCCc1nnc(NC(=O)CCC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)s1 72255532 UVPXBLUNCVAWTE-UHFFFAOYSA-N 425.555 2.679 0 40 IFAB NC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)nc1 95469893 ZAEHGOHBGWOMNW-UHFFFAOYSA-N 441.841 2.613 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1cccnc1)CC2 96036924 OFCABVXXZQSYLR-UHFFFAOYSA-N 437.569 2.712 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccccc1F 101174274 GDAAZRCYTVGVOI-JKSUJKDBSA-N 446.236 2.520 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccc21 225698308 AONSOTLQLDNAOF-UHFFFAOYSA-N 432.571 2.636 0 40 IFAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c1 225965847 BXRHWXPKVHVTJS-UHFFFAOYSA-N 429.542 2.890 0 40 IFAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC 408587395 UQOAAZUJLKRVKR-UHFFFAOYSA-N 449.529 2.783 0 40 IFAB CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1228807786 XFBNQWDAXSCKIA-IBGZPJMESA-N 440.592 2.673 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775969282 ISZLQHJSDQOIPR-AWEZNQCLSA-N 432.468 2.930 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)COc4ccc(Cl)cc4)CC3)n2)n1 1775969989 WCRZZQXBNWZNJH-UHFFFAOYSA-N 441.919 2.942 0 40 IFAB COc1ccc([C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)[C@@H]3CCNC[C@H]23)cc1 1848354248 UNYWYJIZDPMUOB-YPAWHYETSA-N 437.540 2.873 0 40 IFAB CCc1cccc2c(C(=O)COC(=O)CNS(=O)(=O)c3c(F)cccc3F)c[nH]c12 3389790 NLGMQBBHUDJVAB-UHFFFAOYSA-N 436.436 2.713 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 6320682 IYFFCKMMAWSHDN-UHFFFAOYSA-N 442.537 2.921 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C 9053455 OCKGFROUCKXKDD-IBGZPJMESA-N 448.545 2.730 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 9127701 CTWHMSDTUGPDSW-KRWDZBQOSA-N 445.541 2.750 0 40 IFAB COc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 9238691 GNOZNLOLQBTFKV-MOPGFXCFSA-N 425.514 2.679 0 40 IFAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@@H](C)NC(=O)c1ccccc1F 9263909 PDHAQZYUGDXWEL-SNVBAGLBSA-N 449.537 2.819 0 40 IFAB COc1cc(C)ccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nnc(C)s2)n1C 9304107 MEHGTQBVAGJUIK-NSHDSACASA-N 434.547 2.990 0 40 IFAB COc1ccc(C(=O)NCCc2nnc(S[C@@H](C)C(=O)NC3CCCCC3)n2C)cc1 9505857 PBGFHWODXMNLLE-HNNXBMFYSA-N 445.589 2.726 0 40 IFAB CC(C)CCN(C(=O)c1ccc(N(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9509336 GIBRACGNWRLNJW-UHFFFAOYSA-N 449.555 2.926 0 40 IFAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccc3c(c1)OCO3)CSC2 10220916 UNECVNSDJSWLNI-UHFFFAOYSA-N 436.493 2.911 0 40 IFAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCN(c2nccs2)CC1 10270528 VVAKNAFAPDTJQT-UHFFFAOYSA-N 448.595 2.646 0 40 IFAB CC(C)CN(CC(C)C)C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 12779546 WYQOOPPXHYMPSN-UHFFFAOYSA-N 449.621 2.557 0 40 IFAB O=C(CNC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(F)c1 12893876 KJBICVJKRKZYEN-ZDUSSCGKSA-N 440.493 2.613 0 40 IFAB COc1ccccc1N1CCN([C@H](c2ccccc2)c2nnnn2C[C@H]2CCCO2)CC1 13504345 HWQBMBYDTSODMY-NFBKMPQASA-N 434.544 2.772 0 40 IFAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3C=NN2[C@@H](C(=O)OCC)[C@H]2c3ccccc3C=NN12 13660331 UEGOQIIYBYDIQE-YSFYHYPLSA-N 432.480 2.645 0 40 IFAB COc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1 13663779 JDLQKEJETFXMLF-UHFFFAOYSA-N 446.479 2.941 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1F 13990291 GMFOTPMCFDENJY-UHFFFAOYSA-N 443.503 2.892 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)C[C@@H](C)O1 14183734 MKOKGBWIPUKIPW-JXXFODFXSA-N 430.526 2.738 0 40 IFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 14197870 JYQZFQMWDNECMO-XMMPIXPASA-N 434.496 2.693 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O 14252299 KSUHBKILNBSIML-AVRWGWEMSA-N 448.475 2.818 0 40 IFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc3ncsc3c2)c(=O)[nH]c1=O 14653030 YXOBNNIQASSTSN-UHFFFAOYSA-N 439.497 2.969 0 40 IFAB C[C@@H](C(=O)OCc1cc(=O)n2ccccc2n1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 14759931 NOHWCFZVKAFVPO-JTQLQIEISA-N 446.246 2.729 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)C2CC2)cc1 16046989 SXCQQDMORURPFM-QFIPXVFZSA-N 446.507 2.831 0 40 IFAB CC(C)[C@@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)O 17058123 MKGAFIGIUOMEDF-KZNAEPCWSA-N 430.505 2.929 0 40 IFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 18046217 ZVNRAYGCXDZYEY-UHFFFAOYSA-N 434.340 2.630 0 40 IFAB COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4cccnc4)C3)nc(O)c2C1 19570612 DEAZATYXWCXEQQ-IBGZPJMESA-N 445.523 2.774 0 40 IFAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(CN(C)C(C)=O)cc(N(C)C)n2)cc1 19753882 YPDYKCQXNMJVKN-OAQYLSRUSA-N 439.560 2.826 0 40 IFAB O=c1c2sc3nc(N4CCOCC4)c4c(c3c2nnn1CCOc1ccccc1)CCC4 20713931 BQBQXIDIEMNAEN-UHFFFAOYSA-N 449.536 2.806 0 40 IFAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22796378 OJQBSPJOLJFGJT-FQEVSTJZSA-N 432.927 2.831 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCCN(Cc2ccccc2)CC1 22807083 RGTPWQGMYSKZFM-UHFFFAOYSA-N 428.964 2.945 0 40 IFAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1 23139209 INHRHDSFMCOAGI-QGZVFWFLSA-N 444.557 2.965 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 29895885 ABTFJPFKUPWCKH-NSHDSACASA-N 430.404 2.798 0 40 IFAB Cc1c(-c2nc(-c3ccccn3)no2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 35503847 SAKQTAQKBWHHHI-UHFFFAOYSA-N 426.454 2.874 0 40 IFAB CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCCN(c4ncccn4)CC3)c[nH]c2c1 36365576 KIQMSNWDUVIFJU-FQEVSTJZSA-N 436.516 2.890 0 40 IFAB O=C(NCCn1nc2ccccn2c1=O)c1c(-n2cccc2)sc2c1CCSC2 39563745 BBRKFFRJKWLCCP-UHFFFAOYSA-N 425.539 2.568 0 40 IFAB Cc1noc(NC(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)n1 40156212 MIHGKFIJVUBBFG-UHFFFAOYSA-N 427.490 2.513 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1)NC1CC1 48324988 YQUBBDANHBERLQ-UHFFFAOYSA-N 449.580 2.892 0 40 IFAB COC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318356 IRJDNGXKISATNW-QFIPXVFZSA-N 426.561 2.726 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCC(O)CC3)cc2c1 57594885 NCQFXNSMNLQZJN-OAQYLSRUSA-N 438.532 2.575 0 40 IFAB COc1ccc(I)c(NC(=O)CN2C(=O)COc3ccccc32)c1 58157378 GLUJTKWMCIXLLX-UHFFFAOYSA-N 438.221 2.664 0 40 IFAB Cc1nccn1-c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cn1 62580863 HOKCLICEHIPTPG-UHFFFAOYSA-N 431.543 2.677 0 40 IFAB CCOCCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 63345708 LNBMKXDQBZXNLL-SFHVURJKSA-N 448.589 2.988 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 77200933 NNOGDXNROWCJCZ-UHFFFAOYSA-N 449.504 2.835 0 40 IFAB CCOC(=O)c1c(NC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCN(C)C2 95482155 IXUGNOCQFRXDMN-UHFFFAOYSA-N 440.525 2.651 0 40 IFAB CCCCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 97943704 NFPCQDCQGQLTTR-FQEVSTJZSA-N 425.533 2.627 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 101627130 PNDPWIKYVHSQSW-KDURUIRLSA-N 435.524 2.864 0 40 IFAB C[C@@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1ccccc1F)S(C)(=O)=O 224794329 NLLGFTCQFLQVQY-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)CNC(=O)c1cncc(O)c1 257275023 NNQRCSRDUKOXAT-KDHQNNTKSA-N 448.567 2.650 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666184 SKPRWCZKJSABPJ-DQJMSKHYSA-N 439.295 2.895 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1C 409163306 PJJBWWSLCYHYDG-VCHYOVAHSA-N 439.493 2.843 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 409352390 YPSQORDZNCQOBP-LICLKQGHSA-N 442.449 2.834 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618263 UOZJABIWCLAYEC-APWZRJJASA-N 434.471 2.752 0 40 IFAB CC(C)CC(=O)NC[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1ccsc1)CC3 585110175 SGUVYCLXUNDJNF-INIZCTEOSA-N 428.558 2.543 0 40 IFAB CCOc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 585271784 HMMXVBWRWBKMEE-QFIPXVFZSA-N 444.572 2.668 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)cc1 3337333 RBGRSUNJQXYHIQ-UHFFFAOYSA-N 441.509 2.805 0 40 IFAB C[C@@H](CSc1nc2ccccc2o1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 6283188 KVPRDPXVYYANAV-CYBMUJFWSA-N 440.529 2.593 0 40 IFAB COc1ccc(CC(=O)Nc2nc(S(=O)(=O)Cc3ccccc3)ns2)cc1OC 8769791 CCMAYWZHPPJDQL-UHFFFAOYSA-N 433.511 2.710 0 40 IFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 9465780 FDGYLTAGJXDLEC-UHFFFAOYSA-N 437.258 2.940 0 40 IFAB Cc1ccc(O)c(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)c1 9583042 OEOKYJCHIJHMEX-UHFFFAOYSA-N 429.477 2.880 0 40 IFAB CCn1c(CN(C)Cc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9714157 VZAVEOBVDYEZGQ-UHFFFAOYSA-N 434.587 2.771 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 10511626 JQGXBAAZXZWBPB-ZDUSSCGKSA-N 448.975 2.597 0 40 IFAB Cc1cccc2nc(CN3C(=O)N[C@@](C)(c4ccc(OC(F)F)cc4)C3=O)cc(=O)n12 10537428 SGODOWWVJZAOBG-NRFANRHFSA-N 428.395 2.572 0 40 IFAB CNC(=O)c1c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)sc(C)c1C 10785811 INNGTUZYKFULLR-CYBMUJFWSA-N 441.600 2.968 0 40 IFAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1C(C)C 11858332 WPRNLFFUOAMYAU-UHFFFAOYSA-N 438.527 2.686 0 40 IFAB COc1cc(OC)c(C2=CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)c(OC)c1 11918443 OXPVKVWVYPMCMB-UHFFFAOYSA-N 435.480 2.738 0 40 IFAB COc1ccc(CCN(C)Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)cc1OC 12513967 DKHCDKPMEAZOTG-UHFFFAOYSA-N 439.541 2.866 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3cccc(OC)c3)cs2)cc1 12628305 AVLQNTLRNBLTCT-UHFFFAOYSA-N 433.511 2.891 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)NC(=O)N[C@H]1C 12639392 WCNMZWWKMUPAIB-NSHDSACASA-N 432.864 2.509 0 40 IFAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 13071449 UTVLRWQIVXRYOA-OAHLLOKOSA-N 435.933 2.503 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nc(OC)cc(=O)[nH]2)nc1-c1ccccc1 13570098 XFKCOBPDYRFWCI-UHFFFAOYSA-N 446.510 2.810 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCC2)c2ccccc2F)cc1 13648081 UYNXCAGIFQMVSA-UHFFFAOYSA-N 433.549 2.932 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NCCc1ccc(Cl)cc1 13992258 AUWLNRJYUZOFID-UHFFFAOYSA-N 437.883 2.817 0 40 IFAB COc1cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc(OC)c1Br 14900396 JPQXSPJHCPTPAR-UHFFFAOYSA-N 440.338 2.830 0 40 IFAB O=C([C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)c2ccccc2O1)N1CCOCC1 15048423 PKDSBAVDZOJMSQ-DEOSSOPVSA-N 446.503 2.908 0 40 IFAB Cc1nc2c(C)cccn2c(=O)c1Cc1nnc(SCC(=O)Nc2ccccc2)n1C 15859238 ZJFBMMNVVRFJEH-UHFFFAOYSA-N 434.525 2.761 0 40 IFAB Cc1ccccc1CN1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 17135893 PCIMCMPQYYWNLR-UHFFFAOYSA-N 441.535 2.942 0 40 IFAB O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1)c1ccccc1 18197912 XLAIEHIIAREGJW-UHFFFAOYSA-N 438.461 2.829 0 40 IFAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 18700330 JIDLHONBGCGGOE-AWEZNQCLSA-N 449.960 2.736 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2)NCc1ccc(F)cc1 19334561 PNSOYBOTGQUSFM-JOCHJYFZSA-N 444.894 2.660 0 40 IFAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CCO1 19697883 ZWMYXVYMLKHXDV-CQSZACIVSA-N 435.527 2.628 0 40 IFAB CCS(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1c[nH]c3ccccc13)C(=O)CC2 19698402 UJWJTVTTZQWSPY-UHFFFAOYSA-N 441.557 2.570 0 40 IFAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(S(=O)(=O)c1ccccc1)C2 19700616 ZIMPRFYIIHFHJS-UHFFFAOYSA-N 438.509 2.672 0 40 IFAB CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)CC1 19909115 ZUAKONPUZHXDFG-UHFFFAOYSA-N 449.404 2.526 0 40 IFAB O=C(Nc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 20623914 PMGBMEOIKNRSLK-FQEVSTJZSA-N 443.569 2.558 0 40 IFAB CN(C(=O)COC(=O)CNC(=O)c1ccco1)[C@@]1(c2ccccc2Cl)CCCCC1=O 21735383 PPCZMTZZKYTAIV-JOCHJYFZSA-N 446.887 2.703 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 22928951 SANLMTRHAYBMEQ-XZOQPEGZSA-N 440.592 2.900 0 40 IFAB CC(C)Cn1nc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c2ccccc2c1=O 23845206 MEWAAOAQDGLNHK-JOCHJYFZSA-N 434.540 2.856 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O 25329853 MNXAYUKAQMDRHZ-WEVVVXLNSA-N 430.482 2.947 0 40 IFAB CCNC(=O)C1CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 32829728 PCNMBZBRQNMBTB-UHFFFAOYSA-N 439.343 2.982 0 40 IFAB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1Cl 33732387 XCTQKHCUHUAHMB-UHFFFAOYSA-N 429.816 2.956 0 40 IFAB COc1ccccc1NC(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O 49006636 ICLVLWPEHFJOGJ-UHFFFAOYSA-N 442.435 2.860 0 40 IFAB CCOC(=O)C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1cccc(OC)c1 84792603 QXWPJSNMZPXGSU-WKRCXCSHSA-N 449.573 2.532 0 40 IFAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 214692264 PXJAGXJKZCEEGL-QCUKBLKESA-N 434.514 2.768 0 40 IFAB CCOc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1OCC 218787952 RDPFGBANLMUVKP-OAQYLSRUSA-N 448.541 2.718 0 40 IFAB CC[C@@H](C(=O)NCc1ccc(OC)c(OC)c1OC)N(c1ccccc1)S(C)(=O)=O 219079109 ZWRBBNVMPPPGPQ-KRWDZBQOSA-N 436.530 2.573 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 220208422 ONZXVRKODOCKAM-CYBMUJFWSA-N 438.502 2.514 0 40 IFAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 222465419 PKRBUXMJOARJLE-SFHVURJKSA-N 438.571 2.675 0 40 IFAB COc1ccc(OC)c(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 222676985 MWCLBCOAYNFVMV-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 225572942 WQWIXQLGGSUHFJ-UHFFFAOYSA-N 426.498 2.760 0 40 IFAB O=C(CCN1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1)N1CCOCC1 257220675 DLROKKDXUKHHPE-QFIPXVFZSA-N 429.948 2.948 0 40 IFAB O=C(C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCOCC1 257279077 OEYJSPJAISPGOX-YJBOKZPZSA-N 449.960 2.955 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 408557659 HCGKLXWHKUXLJK-HNNXBMFYSA-N 432.498 2.853 0 40 IFAB COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 408614959 KEJVEOLWQGDNEO-AWEZNQCLSA-N 426.922 2.695 0 40 IFAB O=C(c1ccccc1)N1CCO[C@]2(C1)C(=O)N(CC1CCOCC1)C[C@H]2c1ccccc1 585106667 DZZDPFZGSDMSSS-OZXSUGGESA-N 434.536 2.950 0 40 IFAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccc(C)cc4)CC3)CC[C@@H]2O)cc1 585281985 DQANNTWBYIKLNN-AHWVRZQESA-N 440.584 2.511 0 40 IFAB O=C(CCc1nc2ccc(Cl)cc2[nH]1)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 2037880189 OEMDVOLOZKKHCW-OAQYLSRUSA-N 431.899 2.831 0 40 IFAB O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 1325009 LMWSYIVVCBPDAR-UHFFFAOYSA-N 447.326 2.986 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl 3312030 YPFUXURMOHWJGW-UHFFFAOYSA-N 433.745 2.805 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C 3569784 IGXACLCLQCKKNF-UHFFFAOYSA-N 441.509 2.743 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCCC1=CCCCC1)C2=O 7979986 XHWWMNLYZKUNMH-QMHKHESXSA-N 433.549 2.673 0 40 IFAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 8743217 ODRSGVPAKCIRNW-YSFYHYPLSA-N 443.459 2.517 0 40 IFAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NC(=O)NC1CCCCC1 9120123 XZPDLWBZASKJQB-UHFFFAOYSA-N 449.463 2.803 0 40 IFAB CCc1c(C)sc2nc(/C(=C\c3cccc(O)c3)C(=O)N3CCOCC3)[nH]c(=O)c12 9317433 DFQVHBRMKRENNH-SFQUDFHCSA-N 425.510 2.960 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9413966 SSXVBXUZBLOOSS-LJQANCHMSA-N 431.489 2.744 0 40 IFAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 10271917 CZLPEGXBAYLZSI-LBPRGKRZSA-N 447.417 2.924 0 40 IFAB Cn1c(=O)c2c(-c3ccccc3Br)n(Cc3ccccn3)cc2n(C)c1=O 12428158 WZBDMAVQGSVYIJ-UHFFFAOYSA-N 425.286 2.912 0 40 IFAB Cn1c(=O)c2cc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)cnc2n(C)c1=O 12777672 NYBUOFMHYRIQNZ-UHFFFAOYSA-N 449.464 2.809 0 40 IFAB COc1cc2nc(-c3ccccc3)nc(N3CCN(CC(=O)NC4CC4)CC3)c2cc1OC 12847291 ABMBXODNOPFATD-UHFFFAOYSA-N 447.539 2.715 0 40 IFAB CCOc1ccc(NC(=O)COc2cccc(CC)c2)cc1S(=O)(=O)N1CCOCC1 12998549 LSYYEQNKCYWYNG-UHFFFAOYSA-N 448.541 2.686 0 40 IFAB CCCCN(C(=O)CN(Cc1ccccc1)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14129413 VXIXVLPIAZCYSM-UHFFFAOYSA-N 443.592 2.819 0 40 IFAB COc1cc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)ccc1OCC(N)=O 14198492 YCEXXSZTHZSFAZ-UHFFFAOYSA-N 425.510 2.964 0 40 IFAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14790076 NDHJQSJIUOCOGY-UHFFFAOYSA-N 446.422 2.795 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)c1 14791425 KNBMQJOSXMSFGA-UHFFFAOYSA-N 430.486 2.630 0 40 IFAB Cc1ccc(OC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c(C)c1 15534308 DXPVTFMZHZTNCN-UHFFFAOYSA-N 444.509 2.992 0 40 IFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1ccccc1 15676434 NPMNTJZCFHXLMV-IBGZPJMESA-N 445.928 2.873 0 40 IFAB biogenic,in-vitro CN1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)CCN3CCc4ccccc43)nc2)CC1 19708176 SMXUWAFZJWTNRL-DEOSSOPVSA-N 447.583 2.586 0 40 IFAB Cc1ccc(CC(=O)N2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cc1C 19762450 WJNRFWPDHWTIMJ-DEOSSOPVSA-N 447.535 2.716 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 20456972 OEOUWGGCOYZDJB-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2CCCc2ccccc2)n(C)c1=O 20533253 DLWBRPINRKWWCC-UHFFFAOYSA-N 443.551 2.625 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)nn1-c1ccccc1 22302937 TZOGYXYGNDGCCW-IYBDPMFKSA-N 439.541 2.859 0 40 IFAB O=C1C[C@H](N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1Cc1ccccc1 28741785 SENLKCNRBXNDDM-SFHVURJKSA-N 432.446 2.940 0 40 IFAB CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)[C@H](c2ccccc2)C1 32058935 NQAWEYNYAGOLDL-SFHVURJKSA-N 444.329 2.690 0 40 IFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1Cc1ccccn1 32809659 JOFXIHZAJBWRGP-UHFFFAOYSA-N 438.553 2.695 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 32934651 AFIQAUATTQOYOV-UHFFFAOYSA-N 425.869 2.623 0 40 IFAB O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)N1CCN(c2ccc(F)cc2)CC1 33252793 YKCCDMULOHFHRF-UHFFFAOYSA-N 430.505 2.667 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 33326634 MEMJIKYNNGMSSW-OAHLLOKOSA-N 444.531 2.986 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1 36700313 FCZBMJHBWFFDPN-NRFANRHFSA-N 431.558 2.695 0 40 IFAB CCOc1ccc(OCCNC(=O)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 58018041 WZJPOTOQWQIDFR-GOSISDBHSA-N 435.565 2.960 0 40 IFAB O=C1CCCN1CCOCC(=O)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353138 WDKIHIQWAPCCBQ-IBGZPJMESA-N 427.480 2.662 0 40 IFAB CCN(CC)c1ncc(Cl)c(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 78821044 LHHOYOYKMXXLIC-UHFFFAOYSA-N 435.960 2.615 0 40 IFAB O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 95459229 BCZWGPYRCXINJL-OALUTQOASA-N 435.446 2.981 0 40 IFAB C[C@@H](O)CC(C)(C)CNC(=O)c1nn(-c2ccccc2I)cc1O 95965538 RVIMCZXLVMWJIT-LLVKDONJSA-N 443.285 2.709 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](N(O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)C2=O)c(C)c1 101089325 OKOPGRVLYHLRNB-BGYRXZFFSA-N 435.480 2.575 0 40 IFAB C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)c1cccc(Cl)c1 102640329 LOQBAPSGARVXSQ-IKHJPRJXSA-N 427.884 2.898 0 40 IFAB O=C(O)C1=C(C(=O)Nc2ccc(NC(=O)C3=C(C(=O)O)[C@H]4C=C[C@H]3C4)cc2)[C@H]2C=C[C@@H]1C2 102921085 WBDDDMQUUKAGOQ-XDQVBPFNSA-N 432.432 2.738 0 40 IFAB O=C1N[C@H](c2ccccc2OC(F)F)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 106213700 OPLFHFWZRUBNGY-OGHNNQOOSA-N 431.317 2.787 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1CCc2ccccc21 113480163 RRIHNRJBZZPTHP-RDJZCZTQSA-N 425.579 2.875 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CCCN1CCOCC1 223169373 UECULOYVJGGBOU-XZOQPEGZSA-N 448.596 2.962 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225474290 GAPHRGXNQYWGGK-QGZVFWFLSA-N 432.542 2.680 0 40 IFAB COc1cccc(OC)c1CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 226073754 IFYCNYPQTCHVLK-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB CNc1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)ccn1 257219519 DHBLRWNECWHTJH-FQEVSTJZSA-N 443.454 2.960 0 40 IFAB Cc1cncc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)c1 257285323 PGQBBBIUROUTMJ-GNKBHMEESA-N 437.584 2.818 0 40 IFAB CCc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 306145113 ZYNOJADZCLIMKC-VWLOTQADSA-N 438.572 2.723 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCCn1ccnc1 408594767 PDUHUZKFGMFWBR-UHFFFAOYSA-N 440.569 2.543 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408616829 BGDJCGQEFRCESO-IBGZPJMESA-N 445.585 2.718 0 40 IFAB CCOC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OC 408987836 YWHRCHHPWINGMB-OAQYLSRUSA-N 439.468 2.904 0 40 IFAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 409390109 JLCBVLKMLLGSRT-JTQLQIEISA-N 431.297 2.705 0 40 IFAB COc1cccc(CN2CC3(C2)[C@H](C(=O)N2CCCC2)c2ccccc2C(=O)N3C(C)C)n1 1549166575 GGDOQPGPHJSKQD-QHCPKHFHSA-N 448.567 2.915 0 40 IFAB Cc1noc(C)c1CC(=O)N1CCCN(c2ccc3nnc(-c4cccc(F)c4)n3n2)CC1 1775972722 SMCWRESXWOKNQP-UHFFFAOYSA-N 449.490 2.817 0 40 IFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1 813992 QBDVNSXDXDKFLN-UHFFFAOYSA-N 425.510 2.598 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccccc3Cl)n2Cc2ccc(F)cc2)n(C)c1=O 1409280 HHOBROCZHHIVEY-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12 2117006 AHEAWSJEHSANGR-CJNGLKHVSA-N 433.457 2.646 0 40 IFAB biogenic Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccncc1 6194481 QFUIQJRKMAWMNB-UHFFFAOYSA-N 437.521 2.837 0 40 IFAB Cn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(-c4ccc(Cl)cc4Cl)cn23)n(C)c1=O 9110409 PGIGAYUUJPVGSJ-LBPRGKRZSA-N 448.310 2.839 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 9339183 KCKFTXMFDLVSBW-WWMYMODYSA-N 444.557 2.605 0 40 IFAB CC(C)C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O 9632573 ZFRCSRAEAMKSHJ-OAHLLOKOSA-N 425.510 2.985 0 40 IFAB CC(C)Nc1nnc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)s1 9921410 KNRJCMMTCAFOMF-AWEZNQCLSA-N 426.589 2.671 0 40 IFAB C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)Nc1ccc2c(c1)OCO2 10016049 OYDFKVRDNNAMOE-HNNXBMFYSA-N 437.452 2.702 0 40 IFAB COc1cccc(-c2cn3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)csc3n2)c1 11902305 XBZAWBPYSVBGRL-UHFFFAOYSA-N 428.495 2.971 0 40 IFAB Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C 12529764 LWIYWWPSECGJDQ-UHFFFAOYSA-N 428.514 2.788 0 40 IFAB CCSc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 12819594 LPGJQWOFQPYMBS-UHFFFAOYSA-N 447.582 2.937 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(C)c1C 12911514 RXYDULLFVPUZMZ-GOSISDBHSA-N 430.526 2.960 0 40 IFAB Cn1c(-c2ccncc2)nn(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1=S 12913835 ZRSNJJZVZCBMHP-HNNXBMFYSA-N 435.600 2.721 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 13038759 ODYXHNOZHGNJIV-UHFFFAOYSA-N 449.477 2.594 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 13039165 CCYGMOLRVNAJAO-UHFFFAOYSA-N 441.553 2.636 0 40 IFAB CCOC(=O)CCc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O 13611803 IABCWITTWSFXSY-UHFFFAOYSA-N 438.450 2.919 0 40 IFAB CCS(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)CC3)C1 19738920 DJEICFLWGRWTJN-IBGZPJMESA-N 442.585 2.836 0 40 IFAB Nc1n[nH]c2nc([C@H]3CCCN(C(=O)CN4CCCCCC4=O)C3)cc(C(F)(F)F)c12 19742172 IPQDRVJALJQPHC-LBPRGKRZSA-N 438.454 2.668 0 40 IFAB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc(Br)cc1 19816827 OPSGJKAMHLCCGJ-OAQYLSRUSA-N 445.313 2.546 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 20022253 UXINPYOCNFNISA-OAQYLSRUSA-N 444.553 2.589 0 40 IFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@@H]1C 21867266 OKIUCZRJNZZCSA-LSDHHAIUSA-N 425.514 2.604 0 40 IFAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 22699493 LLUMZHMFGGMHGJ-INIZCTEOSA-N 447.538 2.790 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 25844539 RUNBIULHSMYVJT-UHFFFAOYSA-N 442.541 2.646 0 40 IFAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ncc(Br)cn4)CC3)c2c1 32090707 BXFWWQZZUFINFO-QGZVFWFLSA-N 430.306 2.977 0 40 IFAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)CC1 34895473 AIPKKPGNGDUBBW-UHFFFAOYSA-N 431.558 2.647 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@@H]1c1ccccc1 36612236 JBMBMDODNYFJFY-GANRHZMWSA-N 425.535 2.563 0 40 IFAB CS(=O)(=O)N1CCC[C@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 36703698 ZBJUTCBTJDOQMQ-JSGCOSHPSA-N 443.978 2.886 0 40 IFAB CN(C)c1nc(N)nc(CN2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)n1 40086144 BHTTZTHZUZGCGB-UHFFFAOYSA-N 427.553 2.705 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 55408633 UZTJEDVSAVRYMP-ZWKOTPCHSA-N 438.908 2.502 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC(NS(C)(=O)=O)CC1 57438376 WEUWXWWPASWROG-NRFANRHFSA-N 431.558 2.697 0 40 IFAB NS(=O)(=O)Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 58005541 LEHMGMXEUBGUTE-UHFFFAOYSA-N 428.489 2.931 0 40 IFAB Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3CC3CCCCC3)cc2)n(C)n1 67896484 VUBBUXMYJXQZAO-FYYLOGMGSA-N 440.544 2.822 0 40 IFAB biogenic,in-vitro O=C(NC[C@]1(O)CCSC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 72311785 VRJGTSGBNFIBNH-GOSISDBHSA-N 444.937 2.878 0 40 IFAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)C1CCOCC1 72321431 YECYTAJVIIUTQX-FYYLOGMGSA-N 442.487 2.652 0 40 IFAB biogenic,in-vitro O=C(c1cccnc1)N1CCN(c2c3c(nc4cc(C5CCOCC5)nn24)CCCC3)CC1 72336894 MDRDFIMNBNYSTP-UHFFFAOYSA-N 446.555 2.860 0 40 IFAB COc1ccc(CC(=O)N2Cc3cn(C)nc3[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 72345627 OKUYMENVTRLNGC-IBGZPJMESA-N 434.496 2.745 0 40 IFAB Cc1nc(N2CCN(c3ccccc3O)CC2)cc(N2CCN(c3ccccc3O)CC2)n1 84271856 BELVKCVXNFZTAZ-UHFFFAOYSA-N 446.555 2.849 0 40 IFAB CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 89950151 DPGNDMUJCWSGSK-GOSISDBHSA-N 431.533 2.757 0 40 IFAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccsc4)cc32)n1 96156467 IYDZDVFQNAWQJT-QGZVFWFLSA-N 445.570 2.762 0 40 IFAB CCCCCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 96306419 NFLUCWRIJBNGIH-UHFFFAOYSA-N 444.967 2.589 0 40 IFAB Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1ccc(Br)cc1 102934788 JQFUCAAOXUVBDX-UHFFFAOYSA-N 426.317 2.629 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccccc1F 222888298 OLZZXKSJQVIOJW-UHFFFAOYSA-N 447.532 2.815 0 40 IFAB Cc1ccc(C)c(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224314348 FTXIUDZMNJSBNF-UHFFFAOYSA-N 432.542 2.662 0 40 IFAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O 225775822 SBYLGKRXMKMIKD-UHFFFAOYSA-N 443.569 2.607 0 40 IFAB CN(c1ccc(CC(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O 225977051 VZNRVKZUEDZCBI-UHFFFAOYSA-N 444.294 2.868 0 40 IFAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1OC 408971205 DNBUVSIOMPAFTR-UHFFFAOYSA-N 426.469 2.966 0 40 IFAB COc1cc(CN2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cnnc1 585270029 APYOQDFPZSEQMD-DEOSSOPVSA-N 438.528 2.772 0 40 IFAB COc1cc(CN(C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCCN(C)C 585273943 UBFXWDOZAJNEHU-XMMPIXPASA-N 446.567 2.633 0 40 IFAB O=C(CCCCCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc2c(c1)OCO2 616581132 YHUIXGHCLLLLGH-UHFFFAOYSA-N 433.482 2.680 0 40 IFAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OCc2ccccc2)c1 951758 UEUMGVLMGUIUSR-HXUWFJFHSA-N 447.491 2.667 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)CC1 2805077 ODCPXQZHQRRAPU-UHFFFAOYSA-N 449.335 2.987 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1c[nH]c2ccccc12 3571442 HIWUOLUUYGXPBH-UHFFFAOYSA-N 442.493 2.537 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8723506 WFKFFHNLSQPBAJ-ZDUSSCGKSA-N 431.539 2.972 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(Cl)c1)N1CCCC1 9218160 NLOIMCYLSYTILL-UHFFFAOYSA-N 426.947 2.876 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c(OC)c1 9381026 WVSLUMZYFBCEON-UHFFFAOYSA-N 434.499 2.809 0 40 IFAB CCOc1ccc(-c2nc(SCc3ccccn3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 9517539 YARQBEFYCVXOJC-UHFFFAOYSA-N 435.509 2.780 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1ccc2c(c1)OCO2 9518625 MCJMVARGGPDBFC-UHFFFAOYSA-N 448.407 2.737 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2cccc[n+]2[O-])c1 9580481 IRMHGGHBPSIIQW-UHFFFAOYSA-N 429.951 2.735 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1-n1cnnn1 9592865 AQHRMEMAZNVFKY-UHFFFAOYSA-N 438.488 2.549 0 40 IFAB C[C@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 9862136 ULXVDMVWTPQFOV-UONOGXRCSA-N 448.570 2.508 0 40 IFAB COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)c(I)c3)n2)c1 10901200 QWHRXCBOUAGZST-UHFFFAOYSA-N 449.252 2.900 0 40 IFAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)CN1CCCCCC1=O 11875548 GXYYUHKMPNNSSR-UHFFFAOYSA-N 446.422 2.615 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)ccc21 12155674 LRQOXPPRMAUJQI-UHFFFAOYSA-N 428.510 2.937 0 40 IFAB Cn1c(N2CCN(C(=O)c3ccccc3F)CC2)nc2sc3c(c2c1=O)CCCC3 12389716 MEPULMNOYGHBHK-UHFFFAOYSA-N 426.517 2.975 0 40 IFAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 12468193 KYRGRLBASAZZSZ-AEFFLSMTSA-N 437.466 2.914 0 40 IFAB O=C(NCc1ccc(Cn2cccn2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 12626172 UHJVIXBUMZJNIA-UHFFFAOYSA-N 444.582 2.710 0 40 IFAB Cc1ccc(N2C(=O)N(CC(=O)NC3CCN(Cc4ccccc4)CC3)C(=O)[C@@H]2C)cc1 12785025 BEEUKWGDVLWDNH-IBGZPJMESA-N 434.540 2.933 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3CCN(C(=O)C4CC4)CC3)[C@@H](c3ccco3)C2)cc1 12800874 VYWGHJFEPQIEIR-OAQYLSRUSA-N 436.512 2.520 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12860811 FVVGDFGRLSGNAU-FOIQADDNSA-N 429.904 2.651 0 40 IFAB CCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 13095726 VZXQINTUAKJFJW-UHFFFAOYSA-N 445.564 2.768 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 13532931 NZMOMACAYKXTPC-UHFFFAOYSA-N 435.402 2.857 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 13633363 QRGPXVWCJRTCIO-UHFFFAOYSA-N 449.548 2.584 0 40 IFAB COc1cccc(C(=O)NCC2=NO[C@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)c1 15085688 UFOPPOXINWEJLH-QGZVFWFLSA-N 428.441 2.559 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)CCCC2 15108396 NUXJQEDNXYDARM-UHFFFAOYSA-N 430.526 2.604 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccccc1 16682410 DJXDJULZVXVKIT-UBXANZILSA-N 435.549 2.754 0 40 IFAB CN(C)C(=O)[C@H]1CN(CCCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C2=O 19581371 VQMWUZVCROOTDB-HYBUGGRVSA-N 426.488 2.876 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19738966 ORVFXEYLKRPWHU-GOSISDBHSA-N 448.502 2.616 0 40 IFAB CC(C)(CNC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1cccc(F)c1 19749245 CBYFWBRAQMIDDW-UHFFFAOYSA-N 428.489 2.790 0 40 IFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(O)c(OC)c1 20802405 FKYYWPSGGRGHAL-WOJBJXKFSA-N 439.468 2.512 0 40 IFAB Cc1cccc(CN2CCN(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)c1 23105569 KTKUNOKUGJUQJJ-NRFANRHFSA-N 428.602 2.957 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)[C@H](c3ccco3)C2)cc1 23844641 DEISBHXEQLXUFD-SFHVURJKSA-N 436.468 2.831 0 40 IFAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24177836 LPFDBPQMJOKSCU-UHFFFAOYSA-N 442.537 2.666 0 40 IFAB CCCn1c(=S)n(CN2CCN(S(=O)(=O)N(C)C)CC2)c2cc(Cl)ccc21 26649146 HZBAWBZNYIXJDB-UHFFFAOYSA-N 432.015 2.617 0 40 IFAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 29690615 SWKYCLLQMATJHE-UHFFFAOYSA-N 439.943 2.951 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 32856100 XZEUQHXKQBGNSK-UHFFFAOYSA-N 443.500 2.633 0 40 IFAB CC[C@@H](CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 35334026 PSHSNVYKFLYUOI-MOPGFXCFSA-N 447.576 2.831 0 40 IFAB NS(=O)(=O)c1cccc(-c2ccc3nccc(-c4cccc(S(N)(=O)=O)c4)c3c2)c1 45201118 MBEIAQGTADXGFD-UHFFFAOYSA-N 439.518 2.864 0 40 IFAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)s1 58166817 OCDCHNFOTZGFFP-UHFFFAOYSA-N 435.571 2.772 0 40 IFAB CCN1CCC(CC(=O)N2CCCC[C@@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1 72372354 FXBYMNYGUFFJRW-OAQYLSRUSA-N 442.608 2.599 0 40 IFAB COc1cc(CNC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)cc(OC)c1OC 77100406 ONQKLFGMNIWRHK-UHFFFAOYSA-N 437.378 2.637 0 40 IFAB COc1cccc2sc(N3CC(OC(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)nc12 77100993 IEHAUIZFFOTVBE-UHFFFAOYSA-N 432.523 2.683 0 40 IFAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)S(=O)(=O)c1cnn(C2CCOCC2)c1 95461938 HSGJDUTUEMVMOF-HXUWFJFHSA-N 425.526 2.754 0 40 IFAB CCCN(CC(=O)NN1C(=O)N[C@@](C)(CC)C1=O)[C@H](C)c1ccccc1Br 109038085 BIZRHAWLQIZJST-YJYMSZOUSA-N 439.354 2.974 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 220715883 POGCGHNLWGWRQO-QGZVFWFLSA-N 444.981 2.995 0 40 IFAB COC(=O)c1cn(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c2ccccc12 222622002 QPHVFZAZKOHZRS-IBGZPJMESA-N 428.466 2.604 0 40 IFAB CCOc1cc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC 223266957 XNPKRVJBDRCMJM-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1ccc(Br)cc1 223643607 DGDHPQSCUCDJEJ-UHFFFAOYSA-N 445.310 2.549 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224650184 LEKNSZFDSOBEAQ-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1c(F)cccc1F 224886774 KWIGQFSNLGXQBQ-UHFFFAOYSA-N 426.485 2.844 0 40 IFAB COc1cc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c(OC)cc1Cl 225616226 KZQHDHKJQLEJDA-UHFFFAOYSA-N 434.927 2.994 0 40 IFAB CCOc1ccccc1C=c1sc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O 254626516 GEDPIMCHCLOJNY-UHFFFAOYSA-N 439.493 2.790 0 40 IFAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 257333418 YBKYGJOTDMUBEO-QGZVFWFLSA-N 427.530 2.850 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)c(C)c1 390831556 SMVHZBIOSZGUMR-FQEVSTJZSA-N 436.555 2.504 0 40 IFAB CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408635780 BWIHUCOBWZTFCM-OAHLLOKOSA-N 432.970 2.682 0 40 IFAB CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408766363 CKWURNCVYQENHF-UHFFFAOYSA-N 436.530 2.776 0 40 IFAB CCc1nccn1CC(=O)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643560169 NQSZKKMYKUCJAF-RUZDIDTESA-N 438.572 2.976 0 40 IFAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)Cc5cccc(C(F)(F)F)c5)C[C@H]4C3)nn12 1888900839 OZERFYRZCTUWIL-HZPDHXFCSA-N 430.434 2.589 0 40 IFAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 1265136 PNKIWDYQWVZICR-UHFFFAOYSA-N 438.347 2.783 0 40 IFAB COc1cccc(-n2cnnc2SCC(=O)NCC(=O)Nc2cccc(C)c2C)c1 8707116 VXBRHLZTPDDPMC-UHFFFAOYSA-N 425.514 2.740 0 40 IFAB COc1cc([C@H]2OCCn3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 8971667 ORCDBPPULHCIMB-HSZRJFAPSA-N 447.491 2.848 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)cc1F 9033957 SUHJYAOFQCJYHR-VBKZILBWSA-N 432.379 2.781 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 9126444 PBQWMFXDZLLWIW-KRWDZBQOSA-N 445.585 2.635 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 9194252 FMQOYUGLLAKTFO-UHFFFAOYSA-N 434.905 2.635 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9219362 CTQPFDRYRBJWFI-UHFFFAOYSA-N 432.484 2.632 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 9263753 QRIOQCYKMNASDV-CABCVRRESA-N 431.562 2.792 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9313988 HLRSUOOYGGUJEN-LPHOPBHVSA-N 430.526 2.878 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1n[nH]c(N)n1)CC2 9607298 NSBDUUYWAJNHLF-IBGZPJMESA-N 425.514 2.671 0 40 IFAB CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)CC1 9635793 KLXOKHGAAHMQPD-UHFFFAOYSA-N 435.450 2.737 0 40 IFAB O=C(COC(=O)c1c(F)cccc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9664490 VQPFDLNPNDUEBE-UHFFFAOYSA-N 438.452 2.935 0 40 IFAB CCCCCCN1N=C(c2ccc(Cl)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 9707485 PPTIDHRDAGECAE-UHFFFAOYSA-N 428.924 2.892 0 40 IFAB CCc1ccc([C@H](C)NC(=O)COC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 9754726 XHDRURPBQFPZEP-INIZCTEOSA-N 432.542 2.970 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(F)c2)c(C)c1 9806390 GPRDQLYGIDAWKN-IBGZPJMESA-N 447.532 2.659 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 9938796 QPZQSQCFCAUBLR-ZDUSSCGKSA-N 429.523 2.980 0 40 IFAB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccc(Br)cc2)n2nnnc2N1 10232416 CEBIMDFXZQJPOB-CQSZACIVSA-N 446.286 2.822 0 40 IFAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1O 10981667 ZPFGGNRUKMMRIO-GFCCVEGCSA-N 440.905 2.788 0 40 IFAB COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1 11671318 GGIMCJKVRKOXSC-SFHVURJKSA-N 436.917 2.914 0 40 IFAB COc1nc(C)c(CC(=O)N2CCC[C@@H]([C@@H]3CC(=O)c4cc(F)ccc4O3)C2)c(OC)n1 12736088 NJICHUJSFVFPCX-VLIAUNLRSA-N 443.475 2.756 0 40 IFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1C 12755194 KREAKZWGAFQYNH-UHFFFAOYSA-N 429.542 2.862 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3ccccc3CN(C)C)CC2)c1C 12765368 LYRZZDMUBNGYHB-UHFFFAOYSA-N 437.588 2.831 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 12891417 KRMUSJBFIHWDDU-CHQSNSNVSA-N 441.531 2.851 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C 12921269 MLSDQXOWKYJOIQ-UHFFFAOYSA-N 438.513 2.917 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(NC(C)C)sc3=S)CC2)cc1 13097653 OESBAJKHWNFEBC-UHFFFAOYSA-N 427.621 2.767 0 40 IFAB O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1ccc(Cl)cc1 13964118 ZGFQITXRNQFQIG-UHFFFAOYSA-N 426.885 2.960 0 40 IFAB CCOc1ccc(N(CC(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 14411643 RIUHZGBHUZPATI-UHFFFAOYSA-N 445.585 2.753 0 40 IFAB CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 16187628 VEAXDICZXCHTGI-UHFFFAOYSA-N 441.528 2.948 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 16689611 WOQFZLMXLQVINV-UHFFFAOYSA-N 428.510 2.577 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 16960139 FLKYLSRBXMQJSA-UHFFFAOYSA-N 437.880 2.690 0 40 IFAB COc1cccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)c1 16992872 HAYCGNVYOOTRMJ-INIZCTEOSA-N 440.525 2.667 0 40 IFAB O=C(NCCSc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 18214471 YRRQGTIVTQAVBC-UHFFFAOYSA-N 440.974 2.883 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19501664 VKRUDYURLYKQFS-IBGZPJMESA-N 426.492 2.961 0 40 IFAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)C3CCCC3)C[C@]2(C)NC(=O)c2ccccc21 19526391 AUKUVPIHGUOKLA-CPJSRVTESA-N 440.588 2.512 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C)nn2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527339 BOSRSLJBGUNFQN-NRFANRHFSA-N 449.530 2.942 0 40 IFAB COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc2C1 19568183 XRFCHNDZKSXXED-HSZRJFAPSA-N 444.539 2.926 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 19694656 LFFPOKYYULIOOC-IBGZPJMESA-N 441.551 2.777 0 40 IFAB COc1ccc(CN2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1Cn1cccn1 19765916 DMRJGCKYBVPGLJ-UHFFFAOYSA-N 448.571 2.999 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCOCC3)c(Cl)c2)cc1 20454926 TXOFSDYQQMIBHB-UHFFFAOYSA-N 437.949 2.511 0 40 IFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 20637679 GVHWNZOHXYTMPF-UXHICEINSA-N 439.468 2.512 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)C1 22295291 RNFVIONDHHBPMU-ZIAGYGMSSA-N 430.530 2.718 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CSCC(=O)Nc1cc(C)on1)CC3 25451912 DMEYWNDACYZGHC-UHFFFAOYSA-N 442.497 2.508 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1 29968922 XPHCFONITGJUAE-HXUWFJFHSA-N 433.618 2.689 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)ccc1Cl 30938960 ICDTXQVCYHMNAQ-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB CCOC(=O)C1=C(CN(CC)C[C@@H]2COc3ccccc3O2)NC(=O)N[C@@H]1c1ccco1 31174333 YSWNZHQCVSQGQW-QVKFZJNVSA-N 441.484 2.613 0 40 IFAB COc1ccc(OC)c2c1CN(Cn1nc(N(C(C)=O)C3CC3)sc1=S)C[C@@H]2O 31783532 LPAGAENGXLXQLU-AWEZNQCLSA-N 436.559 2.713 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCCN2CCCCC2)c1 32748148 JTMQOBGRBMRMQL-UHFFFAOYSA-N 436.622 2.533 0 40 IFAB COc1ccc(NC(=O)CN(C)CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 32753388 HSDMDGJSCQOTGV-XMMPIXPASA-N 441.528 2.850 0 40 IFAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614522 YDYOTCQUYBVYIM-ZDUSSCGKSA-N 444.479 2.952 0 40 IFAB O=C(/C=C/c1ccc(O)cc1)NCCCCNCCCNC(=O)/C=C/c1ccc(O)cc1 39013540 QYBCBMVQSCJMSA-VOMDNODZSA-N 437.540 2.817 0 40 IFAB endogenous,in-man O=C(NCc1cccnc1N1CCOCC1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 48253685 DTQNINBJKGLHHB-KRWDZBQOSA-N 449.477 2.865 0 40 IFAB Cc1oc(C(=O)NCc2ccccc2Cn2cccn2)cc1S(=O)(=O)N1CCCC1 48332219 QELJWLOSCSUMPE-UHFFFAOYSA-N 428.514 2.547 0 40 IFAB COC(=O)c1cc(C)nc2nc(S[C@H](C)C(=O)Nc3ccc(F)c(F)c3)[nH]c(=O)c12 48368334 ASEPPQIJGPJFIA-SECBINFHSA-N 434.424 2.811 0 40 IFAB CCOCCCNC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 57743940 GTYSEBNXUVPXJP-SFHVURJKSA-N 440.548 2.723 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204955 XGDJGRJGSRPMHZ-QFIPXVFZSA-N 438.503 2.737 0 40 IFAB Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 71889510 DGVXQTULXUMZTO-UHFFFAOYSA-N 435.503 2.746 0 40 IFAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 72308607 IWPATACMEMXVCF-IBGZPJMESA-N 447.583 2.944 0 40 IFAB CCC(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)COc3ccccn3)o2)CC1 72344862 XUHIWILLMRQJCT-QGZVFWFLSA-N 427.505 2.713 0 40 IFAB O=S(=O)(c1ccc2c(c1)nc(-c1cccs1)n2C[C@@H]1CCCO1)N1CCOCC1 89800083 KKTZUWVGNYNTLW-HNNXBMFYSA-N 433.555 2.965 0 40 IFAB C[C@@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nnc2ccccn12 95478576 GPJWAARQWQDIRL-CYBMUJFWSA-N 433.921 2.804 0 40 IFAB O=C1NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96262202 PYPNTKGIJJUVAT-VQTJNVASSA-N 439.947 2.980 0 40 IFAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 219287080 WONCTAIFECTXMB-KRWDZBQOSA-N 444.962 2.996 0 40 IFAB CCOc1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1 224703667 MUBXLEVPNXNZLL-UHFFFAOYSA-N 438.521 2.966 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@@H](c2ncncc2-c2ccnc(N)c2)C1 257260817 LENDMXUJAXXJCP-QGZVFWFLSA-N 439.541 2.924 0 40 IFAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408656489 SRABZHSMTHGNMF-GOEBONIOSA-N 427.453 2.880 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1OC 409057111 UCXOVLMYGNVCIB-WFZBXURCSA-O 430.484 2.720 0 40 IFAB CC1(C)CCc2cc(CC(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)ccc2O1 524731331 TXOCNMXJFUASJB-CTNGQTDRSA-N 435.568 2.730 0 40 IFAB biogenic COc1c(F)c(F)cc(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1F 575616279 YSQORTHGOOLBLL-UHFFFAOYSA-N 438.328 2.504 0 40 IFAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccsc1)C2 585107331 SZMVBCNAQPEUKZ-QHCPKHFHSA-N 435.553 2.512 0 40 IFAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)c2ccc(=O)n(C)c2)Cc2ccccc21 643554433 IXLRCEJZYTYOGQ-UHFFFAOYSA-N 438.572 2.742 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCCn1ccnc1)C2 643575926 OPPVTHWGBQPIHC-UHFFFAOYSA-N 428.533 2.770 0 40 IFAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1nnc([C@H]2CCCO2)s1 1548349055 XRCKBUVYMPJFSK-MRXNPFEDSA-N 428.514 2.923 0 40 IFAB O=C1CN2CCN(C(=O)NC3CC3)C[C@@H]2COc2ccc(-c3ccc(F)cc3F)cc2N1 1772594690 LKDMGGQOADOXOG-QGZVFWFLSA-N 442.466 2.821 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888920847 USIDXOXFMJVEGA-HDICACEKSA-N 425.514 2.505 0 40 IFAB Cc1[nH]c(=N)sc1C(=O)N1CCC[C@@H]2[C@H]1CC=CCc1ccccc1OCC(=O)N2C 2037818683 LPZBSFAALVFKAT-QZTJIDSGSA-N 440.569 2.877 0 40 IFAB COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 1574055 JUWAUXATKRGHCK-QGZVFWFLSA-N 427.453 2.684 0 40 IFAB O=C(Nc1ccc(Br)cc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 3611572 KCQCTYLNFSCUBH-UHFFFAOYSA-N 443.294 2.861 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8634894 ZPKSKZJSYGAGGV-IBGZPJMESA-N 431.242 2.828 0 40 IFAB O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 8824851 NZILROWJFPJPMI-UHFFFAOYSA-N 435.260 2.593 0 40 IFAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917275 PQIFEDJTIOHOTE-QRWLVFNGSA-N 439.489 2.924 0 40 IFAB CC(C)C[C@H](NC(=O)C[C@@H](CNC(=O)C1CCNCC1)c1ccc(Cl)cc1)C(=O)O 9410512 SZLAAKGRBNUUQR-HKUYNNGSSA-N 437.968 2.545 0 40 IFAB CCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 9433848 KQTDZLSZZWTFNU-UHFFFAOYSA-N 437.573 2.707 0 40 IFAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C(=O)N(C)c1ccccc1 9493296 YTJHNDHSPUYQAH-OAHLLOKOSA-N 438.933 2.791 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC(=O)N2CCc3ccccc32)cc1 9504182 RNGNSCWATMWFLO-OAQYLSRUSA-N 442.537 2.671 0 40 IFAB COC[C@@H](O)CNC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 9547346 ACWBWPFICDVRCD-INIZCTEOSA-N 431.872 2.924 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1 9715872 KSNOHJOCVDXYIE-UHFFFAOYSA-N 440.525 2.983 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 9746542 KGGVJTYEOILISI-KRWDZBQOSA-N 435.571 2.745 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 9950967 QIPPGXCQXKXLAW-UHFFFAOYSA-N 442.497 2.806 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCCO2 9959614 MDIVJUZJZCDYOM-HNNXBMFYSA-N 433.530 2.846 0 40 IFAB CCc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(OC)cc2)cc1 9975118 AQYMTXFJRXPNCV-UHFFFAOYSA-N 429.480 2.914 0 40 IFAB CN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc2ccccc2c1 10060256 OZSHRAAMWCXRJI-UHFFFAOYSA-N 441.528 2.948 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCC(C)CC1 10540984 GVNYZSJHFLNPED-UHFFFAOYSA-N 437.606 2.722 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10772406 LUAZCPSKHVSXKF-UHFFFAOYSA-N 438.480 2.545 0 40 IFAB C[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11482006 ZCJKJJUBEFLHEU-LBPRGKRZSA-N 440.905 2.715 0 40 IFAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n(C)c1=O 11512560 NBQAAQCAQRRYEY-UHFFFAOYSA-N 439.859 2.518 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)n1 12231363 MLVQCNUUIFFLAH-UHFFFAOYSA-N 433.299 2.591 0 40 IFAB COc1ccc(OC[C@@H](O)CN(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 12389526 YWOCTZSRUMJIJE-MSOLQXFVSA-N 439.961 2.778 0 40 IFAB C[C@@H]1Cc2cc(C(=O)N[C@H](c3ccccc3F)c3nccn3C)ccc2N1S(C)(=O)=O 12519858 GRUVPEPMQBUPJK-JLTOFOAXSA-N 442.516 2.789 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 12868994 PEITVRNBXCDXEK-UHFFFAOYSA-N 439.541 2.798 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 13037932 WOBQDUCFQOOJIJ-GOSISDBHSA-N 440.569 2.916 0 40 IFAB O=C(CCn1ccc2ccc(F)cc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13690664 MJLCLPFFKWUEBS-QFIPXVFZSA-N 437.471 2.681 0 40 IFAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1ccc(F)cc1)[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]31 13810157 ZKXHQSHCOVDPJB-QLQTZTHHSA-N 434.398 2.692 0 40 IFAB CC1CCN(Cc2nc(NC3CCN(CC(N)=O)CC3)c3c4c(sc3n2)CCC4)CC1 14228941 DXGQRNPCQDDHMY-UHFFFAOYSA-N 442.633 2.774 0 40 IFAB CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 14846776 WKSDRNVVTSKLPX-UHFFFAOYSA-N 431.436 2.711 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 19448699 LQRXMYZTBIHZDA-BKMJKUGQSA-N 448.567 2.703 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743704 MYEFUGCVCXWWPH-IBGZPJMESA-N 444.539 2.670 0 40 IFAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)cn2C 22237388 SRUIZPPLORAKDW-UHFFFAOYSA-N 440.452 2.993 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)cc1)S(C)(=O)=O 22252367 JQUMWWGNGYYVAC-CQSZACIVSA-N 436.530 2.989 0 40 IFAB Cn1cc(/C=C/C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)c(=O)n(C)c1=O 32865654 YVFCDMZQLXUMOF-LEQVUBRHSA-N 435.549 2.943 0 40 IFAB C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1Cl 32946810 DAWLHVWIXRCITH-NSHDSACASA-N 438.962 2.844 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Br)cc1)O2 38834031 YYDINQYYXCKZHV-MRXNPFEDSA-N 425.304 2.923 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1OC 51317032 IUAXPBZPLMJABV-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB C[C@H]1CN(C(=O)C2CCN(C(=O)/C=C/c3cc(Cl)c4c(c3)OCO4)CC2)C[C@@H](C)O1 58391691 YUPDJHXWGXEDOX-MRINAFOASA-N 434.920 2.956 0 40 IFAB CC(C)(C)[C@@H]1CCc2noc(C3CCN(C(=O)CCCN4C(=O)CNC4=O)CC3)c2C1 72392436 HSVCDUDSNBHWDD-MRXNPFEDSA-N 430.549 2.864 0 40 IFAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCCN(C(=O)N(CC)CC)C1 78947406 GNHSWJLIBDRYNL-IBGZPJMESA-N 445.608 2.949 0 40 IFAB Cc1cc(C)n(CC(=O)NC2CCN(CCOc3ccc(Br)cc3)CC2)n1 84102161 IPFYTYNNACWXSA-UHFFFAOYSA-N 435.366 2.922 0 40 IFAB COC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101172107 SICSYKJAIHVUAS-FUHWJXTLSA-N 427.844 2.564 0 40 IFAB CCOc1cc(C(=O)NCCO)cc(I)c1OCc1ccccc1 107878600 VWTOYUHJZNNZAI-UHFFFAOYSA-N 441.265 2.991 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(F)cc1F 136542966 XUHCHCARTMHCSE-ZSDSOXJFSA-N 444.482 2.919 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222624179 FXFVPQXWCDMOGY-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc12 222646371 XCTCMEOWBLYDNY-CQSZACIVSA-N 430.482 2.931 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223063853 MLXSDLPBHIFSCY-UHFFFAOYSA-N 432.477 2.922 0 40 IFAB CCOc1ccc(OCC)c(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)c1 224303672 YRYQMSAFAYYFFX-UHFFFAOYSA-N 436.534 2.528 0 40 IFAB COc1ccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)cc1 225002277 YYRRFKAQACSHEM-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB C[C@H](O)c1ccc(C2(CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)CCCC2)s1 225685456 SRNOWLHUIXQHCB-AWEZNQCLSA-N 430.526 2.775 0 40 IFAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 253403941 QRHIWZHFLVYVJD-FQEVSTJZSA-N 449.598 2.584 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 408658820 RMHZSLWZPOOFIV-INIZCTEOSA-N 443.887 2.578 0 40 IFAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710347 YFPMHFMPEWMGHZ-UHFFFAOYSA-N 445.475 2.909 0 40 IFAB Cc1ccc(CN2C(=O)CC[C@H]2c2nc(-c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)cc1 570726001 YLOQFYWXEOQUPP-UUOWRZLLSA-N 445.479 2.963 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)o2)c1 575611848 YJDQJNQZNMXMCS-CQSZACIVSA-N 437.495 2.815 0 40 IFAB NC(=O)[C@@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c23)CCN1 1165072974 TWIWHCIISSSOFZ-SFHVURJKSA-N 436.585 2.608 0 40 IFAB O=C(COc1ccc2ccccc2c1Br)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1637479746 HUAXZFVUYYCKBG-HUUCEWRRSA-N 438.343 2.874 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 937630 KXJIVXKTQZDSQP-UHFFFAOYSA-N 443.525 2.732 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2)n1 2652482 LOMIDOJJZPGUKT-UHFFFAOYSA-N 438.509 2.934 0 40 IFAB O=C(CSc1nnc2sc3ccccc3n12)N1CCN(C(=O)c2ccco2)CC1 3495754 HNXQVWUNUWIAAP-UHFFFAOYSA-N 427.511 2.614 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O 3519339 HHQCBPFGEGDBPL-GOSISDBHSA-N 449.248 2.697 0 40 IFAB CCCCCCn1c(C)c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 5865470 LCUFANHWUZZHKB-UHFFFAOYSA-N 428.581 2.832 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 6301315 WSKFVJHSMREHKW-UHFFFAOYSA-N 442.537 2.921 0 40 IFAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c(OC)c1 6444376 YJPVGMGQFGRONY-UHFFFAOYSA-N 447.495 2.504 0 40 IFAB CCCCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001479 SCIHUNNISYWUSX-UHFFFAOYSA-N 443.507 2.983 0 40 IFAB CCCCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2cc(C(=O)OC)ccc2c1=O 9398026 GZTUGYIMFUKECH-HOCLYGCPSA-N 447.557 2.759 0 40 IFAB Cc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 9405073 ROBZLZRIACUANR-UHFFFAOYSA-N 432.527 2.685 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 9410400 OBPAJDDMPMCRQL-UHFFFAOYSA-N 434.905 2.669 0 40 IFAB CSc1cccc(N2C[C@@H](C(=O)OCc3cc(=O)n4c(C)csc4n3)CC2=O)c1 9494210 YSGVDSWODYNUEW-ZDUSSCGKSA-N 429.523 2.883 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 9671801 SAISWZIWSZLTGS-QGZVFWFLSA-N 444.553 2.993 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1 9748280 XHVRNTPDGGNIOS-ZWKOTPCHSA-N 427.848 2.589 0 40 IFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 10112261 ZPOHZIIADMLSQF-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB O=C1N[C@@]2(COC3(CCN(C(=O)c4cccc5nccnc45)CC3)C2)Nc2ccccc21 12085465 BCHFRPSSEOXRGN-DEOSSOPVSA-N 429.480 2.577 0 40 IFAB COc1ccc(Br)cc1CN(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 12683816 IGFWVPVPDKMYGV-UHFFFAOYSA-N 438.322 2.671 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@@H]2CCCC[C@@H]21 12888191 VKUASLQPFNVVMI-REWPJTCUSA-N 445.629 2.663 0 40 IFAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)n2)c[nH]1 12892096 RHEMOSZWUSACHX-CYBMUJFWSA-N 440.481 2.925 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 14084274 HITZRSODGAMSMN-QFIPXVFZSA-N 445.560 2.891 0 40 IFAB Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)N2CCOCC2)n1 15672536 MWJGUXWHFYNRBK-KSZLIROESA-N 427.574 2.733 0 40 IFAB biogenic,in-vitro CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@@H](C)O[C@H](C)C2)s1 15943686 NXXZBCDIJZJWGE-ZIAGYGMSSA-N 444.600 2.692 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccccc2F)c2ccco2)cc1 17043284 QIZZDWNYLBRPPU-FQEVSTJZSA-N 444.484 2.675 0 40 IFAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078324 HKVOOVOIECISAI-FXUDXRNXSA-N 435.475 2.983 0 40 IFAB O=C1CCOC[C@]2(CN(Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccnc2)N1 19349469 XUZBSTICWLTHFI-OZXSUGGESA-N 444.535 2.930 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3nc(C)ncc3-c3ccccn3)ccc21 19524262 ZDUDWORPIXIPIS-UHFFFAOYSA-N 439.497 2.596 0 40 IFAB CCN1C[C@H](C(=O)N2CCC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)CC1=O 19526908 GIGDGLBRDDPROW-IXYNUQLISA-N 427.471 2.765 0 40 IFAB Cc1nn2c([C@H]3CCN(C(=O)CC4(O)CCCCC4)C3)ccnc2c1Cn1ccnc1C 19707660 JIRGCJANAJYWPL-IBGZPJMESA-N 436.560 2.992 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743726 FKNNYZKPYNXHDM-HXUWFJFHSA-N 444.539 2.520 0 40 IFAB Cc1cnc(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)c2ccccc2)C3)s1 19749577 HQANULILRIRTHM-IBGZPJMESA-N 441.578 2.870 0 40 IFAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)COc3ncnc4ccccc34)C2)nc1C 19757360 YZETWSRPDPUJNB-QGZVFWFLSA-N 448.527 2.605 0 40 IFAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 19817454 XUYQMLKFGDRQSS-QFIPXVFZSA-N 447.539 2.847 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1OC 20005211 NEUCISIWKWAWPQ-LJQANCHMSA-N 444.509 2.503 0 40 IFAB COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(O)c2)cc1Br 20152946 VVYVOHAUPCDQCU-UHFFFAOYSA-N 425.260 2.988 0 40 IFAB COc1ccc(-c2noc(CCC(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)n2)cc1OC 22013123 IFXKDUAKYDUKBW-HNNXBMFYSA-N 431.489 2.877 0 40 IFAB CC[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22362765 AGSNGLDXFJXVFS-INIZCTEOSA-N 436.530 2.746 0 40 IFAB CS(=O)(=O)c1ccccc1C(=O)N(CCN1CCOCC1)c1nc2ccccc2s1 22998183 JCDALXKLTYOZBL-UHFFFAOYSA-N 445.566 2.679 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1OC 23386314 VFGLYOZNIUUVQU-MRXNPFEDSA-N 438.571 2.834 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 24609082 GEWAODRLPVSJMK-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 31036221 JUMLHNUMQBPPER-VOTSOKGWSA-N 435.524 2.952 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 31419113 RSHHNRBEIXRFDU-IBGZPJMESA-N 449.960 2.899 0 40 IFAB Cc1cc(=O)c(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)nn1-c1ccccc1 32854773 GRTAODNPGIWQAX-UHFFFAOYSA-N 425.872 2.938 0 40 IFAB CCCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 35312964 IFWARHDGDGSDQM-UHFFFAOYSA-N 435.937 2.618 0 40 IFAB CN(CC(=O)Nc1cccc(OCCn2cccn2)c1)S(=O)(=O)c1ccc(Cl)cc1 36397711 OUBSLOMUIUERIV-UHFFFAOYSA-N 448.932 2.875 0 40 IFAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1Cc1ccc2c(c1)OCO2 39383801 NFSCWGHRWGFVFW-UHFFFAOYSA-N 441.491 2.895 0 40 IFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2c([nH]c1=O)CCCC2=O 40057954 MXEQFTHUMKUUDS-UHFFFAOYSA-N 435.402 2.802 0 40 IFAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)on3)c2=O)cc1 57428164 HPVSIMSIOIHBDD-UHFFFAOYSA-N 440.481 2.607 0 40 IFAB COc1ccccc1NC(=O)NCCN1CCN(C(=O)Nc2ccccc2OC)CC1 57431715 ANRSVCOCKSMWID-UHFFFAOYSA-N 427.505 2.675 0 40 IFAB COCCn1ccc2c(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cccc21 72402188 KCMQAHZYBJKHGC-UHFFFAOYSA-N 435.528 2.750 0 40 IFAB COc1ccc(N2C(=O)CC(=O)N=C2SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106175643 XJGRQEOYNRMBRY-XSWJXKHESA-N 429.542 2.989 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(C)c1 165643853 VAGTZIMYJUUCMR-WPCMGHOJSA-N 426.513 2.841 0 40 IFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC 206798723 FNRWTJXBJSOULF-HKUYNNGSSA-N 431.460 2.997 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222934710 YDCGELSLQIYROP-HXUWFJFHSA-N 445.585 2.623 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223517465 XJFQGSGFXUERAH-LJQANCHMSA-N 445.585 2.623 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1C(=O)N1CCCC1 223926288 UPFCLIJBLKFRBK-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1N1CCCC1=O 224784688 YMDNRSIRIBNWQH-UHFFFAOYSA-N 443.569 2.896 0 40 IFAB CCCOc1ccccc1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225562507 GSKIGEUJIUZNIB-UHFFFAOYSA-N 446.569 2.859 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@]2(CO)C(=O)O)cc1 242687794 UVYHYDKSNCCIEB-NUJGCVRESA-N 425.300 2.761 0 40 IFAB O=C1CN(C(=O)CN2C[C@@H](c3ccccc3)[C@@]3(CCCCC(=O)N3)C2)c2ccccc2N1 257214435 CLZVIERCVWZATM-UQBPGWFLSA-N 432.524 2.500 0 40 IFAB CCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)NCC4CCN(C)CC4)C3)ccc21 257279150 OFEUJQRURHVGAT-LJQANCHMSA-N 425.577 2.757 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704068 JIXDMTMTLNQLIK-LBPRGKRZSA-N 440.905 2.913 0 40 IFAB COC1(CNC(=O)NC(c2ccccc2)c2ccccc2)CCN(S(C)(=O)=O)CC1 1889278499 IHDGGQVRSHAJFN-UHFFFAOYSA-N 431.558 2.516 0 40 IFAB O=C(CSc1nc2ccccc2o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 8920813 MSCWYWXBECQRHA-UHFFFAOYSA-N 449.529 2.982 0 40 IFAB COc1cccc(C(=O)NCCn2ncc3c(NC(C)C)nc(SC)nc32)c1OC 8941361 YGQYJFDZLORMMR-UHFFFAOYSA-N 430.534 2.816 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1C 9743585 IIRBPIXRKYRWKJ-FQEVSTJZSA-N 443.569 2.992 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 9806140 SXAYTNWKNRMNJN-KRWDZBQOSA-N 435.933 2.556 0 40 IFAB COc1ccc(CNC(=O)Cc2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 9828631 MRWRPNAACCLGLM-UHFFFAOYSA-N 447.538 2.820 0 40 IFAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@H]2c2ccc(OCC)cc2)cc1 10232140 FMOMUVVTSQFJPB-FQEVSTJZSA-N 449.467 2.795 0 40 IFAB C[C@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1ccc(SC(F)F)cc1 10937338 XZZFFSFUZBRZJK-QMMMGPOBSA-N 436.483 2.894 0 40 IFAB CCCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccc(C(F)(F)F)cc21 11021848 JTMQVWUQSVSBNA-GFCCVEGCSA-N 435.493 2.861 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)cc1 12180806 YHBWZTPGPDGICJ-UHFFFAOYSA-N 428.514 2.594 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nc(C)cs4)CC3)CC2=O)cc1 12407529 PUJFSQJARLMMTN-QGZVFWFLSA-N 426.542 2.990 0 40 IFAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)N1CCN(c2ccccn2)CC1 12414326 ZCRWTNRJEOUGNG-UHFFFAOYSA-N 435.502 2.733 0 40 IFAB CC(C)c1cc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2)on1 12534225 ACWDANQNNMTXIY-UHFFFAOYSA-N 428.518 2.946 0 40 IFAB COc1ccccc1-n1c(S[C@H](C)C(=O)NC(=O)NC(C)C)nnc1N1CCCCC1 12563328 MJWUZNSPPWFAAR-OAHLLOKOSA-N 446.577 2.981 0 40 IFAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 12761774 PQATUAZIGSMRHW-GOEBONIOSA-N 446.447 2.796 0 40 IFAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)c(C)c1C 13009020 PKQBGHCAQJPFFH-UHFFFAOYSA-N 445.321 2.905 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl 13119441 HGAJOOBAVPXOHK-UHFFFAOYSA-N 438.933 2.974 0 40 IFAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F 13133608 YFMUPKZXBHTDJO-UHFFFAOYSA-N 439.394 2.875 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)o1 13163955 SYGGWHNEDQRZAW-CQSZACIVSA-N 425.532 2.688 0 40 IFAB CCCn1c(=O)n(CCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c2ccccc21 14372245 RIRNLAMKWBDXFF-UHFFFAOYSA-N 425.514 2.560 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 15615357 XOXMVQCSZFWZNQ-SFHVURJKSA-N 430.526 2.927 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O 16973367 ICCMDLIYLWIFMI-OAQYLSRUSA-N 446.507 2.882 0 40 IFAB biogenic CCOc1ccc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc1Br 17095309 YLNKYBAEHIEIAX-UHFFFAOYSA-N 427.328 2.617 0 40 IFAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)CN2CCOCC2)n1 19689337 SDELHYTXTPZEKY-LJQANCHMSA-N 429.952 2.859 0 40 IFAB COc1cc(C)ccc1CN1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762088 XHLCVYSHAAITPJ-DEOSSOPVSA-N 435.524 2.847 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)s1 19767368 UGAUXMQZWYBGOP-SFHVURJKSA-N 427.574 2.562 0 40 IFAB COc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1 20453231 XKZPBNXAUHAXDG-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB CCOC(=O)Cc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)n1Cc1ccco1 21521785 KNGNLHQQOJQKIV-UHFFFAOYSA-N 439.497 2.862 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C)nn3-c3ccccc3)C2=O)cc1 31634468 NZJFWXVOYRMFKC-HSZRJFAPSA-N 433.468 2.595 0 40 IFAB Cc1sc(=O)n(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1-c1ccc(F)cc1 40130142 NKRHRCCDRTWOKI-UHFFFAOYSA-N 425.441 2.889 0 40 IFAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)CCn1cnc2ccccc2c1=O 78877566 VUOOHZJIBBIEAB-SJLPKXTDSA-N 428.533 2.986 0 40 IFAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 96254916 QMXXHTQWCQVOJF-UHFFFAOYSA-N 449.477 2.639 0 40 IFAB COC(=O)[C@@H](NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)C(C)C 96937317 OYQABFQINYYQSH-KRSRXSRCSA-N 433.501 2.962 0 40 IFAB biogenic COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@@H]3C2=O)cc1 101277632 QXEPDMVRVKQQJS-OALUTQOASA-N 432.440 2.855 0 40 IFAB COc1cccc(N2C(=O)[C@H]3NN=C(C(=O)C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 101362884 JFMIAKKZSCAQJI-GMAHTHKFSA-N 439.471 2.914 0 40 IFAB C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1ccccc1F)S(C)(=O)=O 220306695 FHCREWJGHWZSJU-HNNXBMFYSA-N 439.940 2.982 0 40 IFAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1C 222795525 YVCGGZAVXLIKTQ-UHFFFAOYSA-N 432.542 2.675 0 40 IFAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223698603 CXQVAROQCYCBRR-QGZVFWFLSA-N 434.543 2.779 0 40 IFAB COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 224032862 PEORKTKSDDFLGF-UHFFFAOYSA-N 448.541 2.687 0 40 IFAB COc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 224353422 DWAXXVBUCGDREN-UHFFFAOYSA-N 448.541 2.687 0 40 IFAB Cc1cccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 224416255 VPSGZMVKYWAYDJ-UHFFFAOYSA-N 432.542 2.744 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(OC)cc1 224869875 LFWUAZDQHMLCRR-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB COc1cccc2cc(C(=O)N3CCc4nc5ccc(Cl)cn5c(=O)c4C3)c(=O)oc12 225779742 WYSWDSMPNJLGFD-UHFFFAOYSA-N 437.839 2.661 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCCN1CCCCC1)NC2=O 247927555 DYVVCCMTIVNOEC-UDABPDOUSA-N 427.545 2.552 0 40 IFAB CC(C)(C)C1CCN([C@H]2[C@H](NC(=O)c3cn[nH]c3)C[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 257242732 IDWMKAHHBVYCJM-CZYKHXBRSA-N 444.551 2.986 0 40 IFAB CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306128779 HKGAYZMTQAKJJD-QPPBQGQZSA-N 433.560 2.611 0 40 IFAB C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 408547696 LLWCRRDIFJHBKZ-OAHLLOKOSA-N 439.940 2.982 0 40 IFAB CSCc1cccc(NC(=O)C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1 561608918 ZJLLBOBWWTZYHR-NRFANRHFSA-N 427.570 2.761 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCC(c3ccccn3)CC2)sc(C(N)=O)c1C 611090407 UKCZVLPRJXTOFF-UHFFFAOYSA-N 430.530 2.545 0 40 IFAB O=C(N[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc2nccnc12)c1cc(F)cc2nccnc12 647620536 QEYNGKVUCCNKQC-CALCHBBNSA-N 448.433 2.932 0 40 IFAB C=CC(=O)N1CCC(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)(c2ccccc2)CC1 1542682479 JOLQJZUBJYQODO-HXUWFJFHSA-N 425.573 2.744 0 40 IFAB Cc1ccc(-n2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN(C)C)n2)cc1 1563016793 KCZAPZYRTYIDLV-NRFANRHFSA-N 434.544 2.591 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC(CCO)(CCO)CC3)cc2)cc1 1587300886 HYRDBFFXJSJPJS-UHFFFAOYSA-N 446.569 2.783 0 40 IFAB Cn1c(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NCC5CC5)n4CC3)C2)cc2ccccc21 2055793254 GUUFSLLTUHFTBK-VWLOTQADSA-N 446.555 2.778 0 40 IFAB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 780766 TUYRVTQKGVBZSK-QGZVFWFLSA-N 440.924 2.965 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1 918310 SSRZULRMYQFCMN-UHFFFAOYSA-N 430.526 2.645 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(-c3ccc(NC(=O)CC(C)C)cc3)n2)c(OC)c1 1339567 WPUMNBGCVWHDRX-UHFFFAOYSA-N 438.488 2.981 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1345924 FMNAMJMICINTNU-SFHVURJKSA-N 429.542 2.563 0 40 IFAB COc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 8671364 XLVLZBXZWGNJBU-IBGZPJMESA-N 428.510 2.907 0 40 IFAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2ccccc2F)C1 8992973 BWUGBWQTSDWEIT-SFHVURJKSA-N 433.461 2.740 0 40 IFAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12 9045773 ZJPSBMPZWALISZ-DOTOQJQBSA-N 436.487 2.524 0 40 IFAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)NCCc1c[nH]c2ccccc12 9045778 ZJPSBMPZWALISZ-RDJZCZTQSA-N 436.487 2.524 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c1 9095612 AFEQZBJJFOOLAI-MRXNPFEDSA-N 427.476 2.545 0 40 IFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 9159915 VDJVFVLKVWXSSK-UHFFFAOYSA-N 433.505 2.968 0 40 IFAB O=C(CSc1nnnn1Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 9619018 IXNXKYLESIEWSN-UHFFFAOYSA-N 426.893 2.686 0 40 IFAB Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9743574 YANFZDROWUXPQX-GOSISDBHSA-N 429.542 2.683 0 40 IFAB NC(=O)c1ccc(-c2nnn(CC(=O)N(CCc3ccccc3)Cc3cccs3)n2)cc1 9953782 RJXOLQUBSFBEDB-UHFFFAOYSA-N 446.536 2.772 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 10232282 WWTWDYCBQGIBOO-KRWDZBQOSA-N 425.832 2.660 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 10383314 FNQZIKUMTOJDMJ-UHFFFAOYSA-N 446.550 2.999 0 40 IFAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 10446730 RLTSHTNHULGUTI-UHFFFAOYSA-N 446.507 2.813 0 40 IFAB C[C@@H]1CCCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)C1 10541619 DKWGRQVJOHXALA-QGZVFWFLSA-N 430.526 2.912 0 40 IFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 10712659 DDDPOKCJULTMRY-UHFFFAOYSA-N 448.878 2.685 0 40 IFAB NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2Cl)CC1 10742274 GTHORAPWPWYKGE-IBGZPJMESA-N 425.920 2.750 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719789 OWCZFFQCECYKDA-GFCCVEGCSA-N 429.514 2.796 0 40 IFAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11906037 GJSLOBCVKXHFDU-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB CCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3C)CC2)nc(C)n1 12224865 XZLKMHSAUXNQLE-UHFFFAOYSA-N 434.562 2.710 0 40 IFAB Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1[C@H]1COc2ccccc2O1 12779474 JMQHHNWDLVTSSE-GOSISDBHSA-N 438.465 2.634 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2)C1 13040010 DSMRSTVBBVSWGB-INIZCTEOSA-N 447.532 2.957 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 14235341 NBQLVSLQOGTUOW-SJORKVTESA-N 437.587 2.695 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 15607656 UVACVBIJKGDQPJ-MRXNPFEDSA-N 433.505 2.567 0 40 IFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(OC)c1 15654610 PZIVAYLHMUZQGX-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 15858341 FMQQYEYEQUBFKS-ZDUSSCGKSA-N 436.917 2.634 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1 16145210 CMFSAQDUIRFUCG-UHFFFAOYSA-N 438.571 2.665 0 40 IFAB COc1cc(CN(C(=O)c2cccc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 16751911 XBQVCCLCBKMZRS-GOSISDBHSA-N 433.526 2.850 0 40 IFAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 17179138 NEYLJPBIOMGIRK-IBGZPJMESA-N 446.525 2.835 0 40 IFAB COc1ccc(CC(=O)OCCCOC(=O)Cc2ccc(OC)c(OC)c2)cc1OC 18032247 YJBSEERDJFSTBS-UHFFFAOYSA-N 432.469 2.983 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CC(C)(C)OC3=O)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285465 RZKAVKUWDCMITK-NZSAHSFTSA-N 439.512 2.528 0 40 IFAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1 19552893 ZCFBOSAKDJAATG-UHFFFAOYSA-N 445.495 2.632 0 40 IFAB Cc1cc(C)n(CC(=O)NCc2ccc(-c3nc(C4CC4)ncc3C(=O)N(C)C)cc2)n1 19573501 DJUHBVPLFBZPCG-UHFFFAOYSA-N 432.528 2.853 0 40 IFAB Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2cc1C 19940790 ZESKQNCSAWUNQL-JOCHJYFZSA-N 430.512 2.601 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2cc(Cl)ccc2OC)cc1OC 22278477 NWOHIZCDKGGPLD-UHFFFAOYSA-N 442.921 2.649 0 40 IFAB COc1ccc(NC(=O)c2ccc(CN3CCN(CC(=O)N4CCCC4)CC3)cc2)cc1 23763370 BRRINDMVDHWJGP-UHFFFAOYSA-N 436.556 2.688 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)n1 25344344 KARJXZPNGJWXOV-UHFFFAOYSA-N 438.553 2.777 0 40 IFAB COc1ccc(N2C(=O)/C(=C/c3cn(CC(N)=O)c4ccccc34)C(O)=NC2=S)cc1 33620230 WPEIATMHQMEDRW-LICLKQGHSA-N 434.477 2.807 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 40071957 NBHFAMUGCIIAKD-RUZDIDTESA-N 449.507 2.805 0 40 IFAB COc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)c1 40400148 VYLZLYYMZOLZAX-CQSZACIVSA-N 449.467 2.904 0 40 IFAB COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccc(-c4ccc(=O)[nH]n4)cc3)n2)cc1 42381021 HUKADJHENMOPBM-HNNXBMFYSA-N 443.463 2.869 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)C1 49448200 DLYXLSMSECQYJT-CQSZACIVSA-N 443.529 2.625 0 40 IFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 57414434 AXLSGVDKUAXNDD-NRFANRHFSA-N 425.485 2.617 0 40 IFAB C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N(C)c2ccccc2)c1)c1nc2ccccc2[nH]1 72344615 ADCMYUVFAKWPFY-MRXNPFEDSA-N 429.480 2.879 0 40 IFAB CC(C)c1ncc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cn1 72394399 CUCBEEWHVBSVHR-UHFFFAOYSA-N 430.574 2.789 0 40 IFAB COc1cccc(CN(C)C(=O)c2cc(F)cc(S(N)(=O)=O)c2Br)c1 78803225 IDZWXHPQQQRTBJ-UHFFFAOYSA-N 431.283 2.516 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(Br)ccc1-n1cnnn1 79483052 QRLHZOXSRVDOCF-UHFFFAOYSA-N 426.278 2.664 0 40 IFAB CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 96103276 PRQOFQBYKLNCQK-IBGZPJMESA-N 427.526 2.632 0 40 IFAB CCCn1c(C(=O)NCCCc2cnc3cc(C)nn3c2)cc2c(=O)n3ccccc3nc21 206821752 QHJBVNXWPKSGHV-UHFFFAOYSA-N 443.511 2.773 0 40 IFAB COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 222647349 SKAQZMOFKOQHEY-UHFFFAOYSA-N 432.542 2.954 0 40 IFAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 223288568 MHNYPNFJDIUEAO-NYYWCZLTSA-N 442.278 2.851 0 40 IFAB CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 223711623 YSWVVMIQALGQPO-FQEVSTJZSA-N 432.542 2.706 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1C(=O)NC(C)C 223906240 GVSQNQWEJNPRCO-UHFFFAOYSA-N 444.513 2.670 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 224228599 RBTZDMURKMRVMA-UHFFFAOYSA-N 431.558 2.736 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C)C2)cc1 225072632 MHXHVJCEXONGJB-OAHLLOKOSA-N 445.566 2.948 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 247797285 DFGLLSRSIKNJDJ-UMZZSBATSA-N 449.507 2.519 0 40 IFAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccc3)CC[C@@H]2Oc2ccc(F)cc2)CC1 257281709 OQPFNJFTXIGJPE-REWPJTCUSA-N 439.531 2.900 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCO[C@@H](c3cncc(-c4ccccc4F)n3)C2)c(C)n1 257328107 XEDOGSRDSNGJAJ-HXUWFJFHSA-N 445.520 2.960 0 40 IFAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1Cl 390830191 JILXLVRFUBGKJF-SFHVURJKSA-N 429.947 2.899 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OC 408560503 PHZGRYVGZLLUML-INIZCTEOSA-N 442.537 2.883 0 40 IFAB Cn1c([C@@H]2CCCCN2S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)nc2ccccc21 519411394 YKNZVNCDKXDPBJ-SFHVURJKSA-N 439.497 2.844 0 40 IFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCCn1ccnc1 524729918 OIMGNHHTZKIYOK-QFIPXVFZSA-N 429.480 2.595 0 40 IFAB biogenic COc1ccc(-c2nc(CCNC(=O)Cn3nc(C4CC4)ccc3=O)cs2)cc1OC 575620356 QAHVWJCPFNHAIJ-UHFFFAOYSA-N 440.525 2.620 0 40 IFAB Cc1nc(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)nn1-c1n[nH]c(C(F)(F)F)n1 672106685 DKZQYBSNNXYRLF-UHFFFAOYSA-N 435.366 2.709 0 40 IFAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC(C(N)=O)CC4)c3n2)cc1 815390 PDKITMPMABZZDZ-UHFFFAOYSA-N 429.427 2.680 0 40 IFAB CC[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 3431500 BMCAAMLCQWKRLN-HOTGVXAUSA-N 430.526 2.898 0 40 IFAB CCC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433756 PCSFJKLTFVAJGT-QGZVFWFLSA-N 444.553 2.895 0 40 IFAB COc1ccc(-n2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n[nH]c2=S)cc1 6492480 SSXUJGGPMYHJSK-UHFFFAOYSA-N 430.486 2.894 0 40 IFAB O=C(CSc1ncccc1C(=O)NC1CCC(O)CC1)Nc1ccc2c(c1)OCO2 8920489 NBMNYIHGZFALDD-UHFFFAOYSA-N 429.498 2.574 0 40 IFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 8944144 GOMKVFLSDQZCGE-UHFFFAOYSA-N 430.508 2.848 0 40 IFAB COc1ccc(-c2nn(CC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c3nc(C)sc23)cc1 8955405 GIGOLELTTHHAHU-UHFFFAOYSA-N 449.492 2.575 0 40 IFAB O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 8971179 BPEZFHQODUPVMF-UHFFFAOYSA-N 446.551 2.845 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C(=O)O)C(C)C 9169022 VUXYGWVIHPLBTM-QZHFEQFPSA-N 446.548 2.819 0 40 IFAB biogenic CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1 9291529 MSKJKEHPSUZKQO-UHFFFAOYSA-N 446.555 2.547 0 40 IFAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)Nc1ccc2c(c1)OCCO2 9761994 GLNIAADMGSSJPG-UHFFFAOYSA-N 439.902 2.953 0 40 IFAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)NCCc4c[nH]c5ccccc45)cn(C)c3c2=O)cc1 9821151 RMBZXEDVDADHRU-UHFFFAOYSA-N 441.491 2.780 0 40 IFAB C[C@H](NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc(Br)cc1 10198552 AZKRJSGZFOEOFV-NSHDSACASA-N 436.697 2.722 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 10456644 BQYYTJUEDYVLKB-UHFFFAOYSA-N 429.586 2.918 0 40 IFAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1cc3ccccc3o1)CC2 10705514 JETLLFRUPMJPCV-UHFFFAOYSA-N 444.509 2.568 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 11030655 NYWSYKDTSFYFBW-OAHLLOKOSA-N 433.530 2.623 0 40 IFAB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 12342362 KEWBKQOMZQHJBY-OAQYLSRUSA-N 433.508 2.820 0 40 IFAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)c1cccc(OC)c1)C(F)(F)F 12402661 OWDOWTDNSPOXBE-HXUWFJFHSA-N 440.418 2.958 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 12543477 NLYXUHHOBKPHDD-UHFFFAOYSA-N 438.509 2.850 0 40 IFAB O=C(NC1CCCCCC1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 12551917 HZCPZGOEHCEUJP-UHFFFAOYSA-N 445.379 2.923 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(C(F)(F)F)c1 12793822 DDJIAZJDJZABGL-UHFFFAOYSA-N 434.461 2.718 0 40 IFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 12979987 CGHKCJCDQHRCDL-UUOWRZLLSA-N 437.496 2.532 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1OC 13003978 HKRRUCCZIFAJMR-ONNFQVAWSA-N 427.476 2.639 0 40 IFAB COc1cc(/C=C/C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc(OC)c1OC 13014705 VRALHAHOCXNEEK-SQUSKLHYSA-N 426.513 2.915 0 40 IFAB CCc1cccc(CC)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13031269 BXFVEKXGCOZSCR-UHFFFAOYSA-N 433.549 2.896 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(S(=O)(=O)N3CCCCC3)cc1)OCO2 13130500 RBDDBCOOBOSGLK-UHFFFAOYSA-N 444.509 2.974 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 15388588 OQICYXSUSCIHGZ-UHFFFAOYSA-N 449.960 2.838 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 16097470 LUXITYKLSMRIHT-FQEVSTJZSA-N 425.448 2.827 0 40 IFAB Cc1ccc(CSCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 17603541 KHHPFFANWMRLPD-UHFFFAOYSA-N 448.610 2.988 0 40 IFAB CCCn1c(O)nnc1SCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 18327449 LOOSBFQARXRGLB-UHFFFAOYSA-N 432.546 2.885 0 40 IFAB COc1ccc(C2(C(=O)NCCn3nc4c(C)cc5ccc(OC)cc5n4c3=O)CC2)cc1 19126638 QLYFEDCPXMTFGJ-UHFFFAOYSA-N 446.507 2.823 0 40 IFAB COc1cccc([C@]2(O)CCC[C@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@@H]32)c1 19577912 VTFDMEDNNCDSHC-GZRFBZBPSA-N 439.965 2.699 0 40 IFAB COc1ccc(CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC 19694974 HTOSWJWOHCKTDB-OAQYLSRUSA-N 436.516 2.590 0 40 IFAB Cc1cc(C)nc(NCCCC(=O)N2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)n1 19761610 MWHYGFSWBJILPJ-QGZVFWFLSA-N 432.528 2.949 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccccc2)Oc2ccc(Cl)cc21 20040144 UUAYIZNXFMECBK-GOSISDBHSA-N 440.974 2.917 0 40 IFAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2ccccn2)cc1 22232523 MOHMIMKBHBPELM-UHFFFAOYSA-N 443.500 2.882 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 23654490 LWAGPZSCXPDPFP-UHFFFAOYSA-N 429.542 2.866 0 40 IFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O 23804801 DKUCXXWOLGDBII-AUSIDOKSSA-N 433.552 2.875 0 40 IFAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCN(c2nccs2)CC1 29411371 KYFMSRQGPTUBMS-UHFFFAOYSA-N 429.329 2.997 0 40 IFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 29993192 RDTZDVRMJBQRDN-KRWDZBQOSA-N 426.427 2.510 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 33618011 JQEXLLQFUPNJGI-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB CC(C)CC(=O)Nc1ccc2c(c1)nc(-c1c(O)c(C(=O)N3CCOCC3)cn1C)n2C 36369850 XGOQGKQUIAILTR-UHFFFAOYSA-N 439.516 2.741 0 40 IFAB biogenic CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)NC1=S 39556688 FHILIFMSGDCHHK-NVNXTCNLSA-N 447.358 2.714 0 40 IFAB Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3F)cc2)n1 44885903 BLYXJXQVFZEXKA-UHFFFAOYSA-N 436.490 2.667 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 45970172 LSNWYDPPMKDELB-UHFFFAOYSA-N 441.513 2.659 0 40 IFAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1 57489222 DYSQNVQRYLBHLR-UHFFFAOYSA-N 425.482 2.970 0 40 IFAB COc1ccc(CN2CCc3cc(S(N)(=O)=O)ccc32)c(Br)c1OC 59808846 OTJKJYPXZDIHEY-UHFFFAOYSA-N 427.320 2.676 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 67286685 NTYDABKNWYJUAV-NRFANRHFSA-N 431.533 2.997 0 40 IFAB COc1cccc(CNC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1OC 72330832 AYPCSWNZNOSCOE-MDZDMXLPSA-N 445.468 2.602 0 40 IFAB CC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)CCn4nc(C)nc4C)CC3)cc2NC1=O 72339736 YNQYEJFMNRIPKD-LJQANCHMSA-N 439.516 2.516 0 40 IFAB CCCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 84739841 KUVCNOLCHLDCHP-LSDHHAIUSA-N 436.350 2.709 0 40 IFAB CSCC[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 96221446 CMBBQQLZOLKERP-ZWKOTPCHSA-N 437.525 2.614 0 40 IFAB biogenic CCOc1cc2c(cc1CN1[C@H]3CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C3)O[C@H](C)C2 100737898 HIPDMYUGYZHHEH-QMMLZNLJSA-N 439.556 2.832 0 40 IFAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(N)=O)c1cccc(C(F)(F)F)c1 113962426 JEPRGTXYXSRTPU-UHFFFAOYSA-N 443.447 2.989 0 40 IFAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC)S(C)(=O)=O 222935100 HXWIPJWWXDUHER-FQEVSTJZSA-N 445.585 2.568 0 40 IFAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 223647370 NPZIOERXXQPVHK-UHFFFAOYSA-N 429.292 2.627 0 40 IFAB Cc1cc(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)ccc1Br 223867962 XHNRKFQTRMPARD-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224411690 ODRGFYWONJJCSK-AWEZNQCLSA-N 448.495 2.930 0 40 IFAB Cc1cccc(C)c1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224600425 GMKZVIHVIIBEJH-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCCN3CCOCC3)n2)C1 225905621 HJLCFCUXKDIKCU-OKILXGFUSA-N 446.543 2.596 0 40 IFAB Cc1nonc1C(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 257300098 RSXHZGWSYNZAET-SFHVURJKSA-N 446.511 2.628 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cccc(C)c1C 409370343 PEHKEALUNZBPMU-SFHVURJKSA-N 435.484 2.896 0 40 IFAB CC[C@H](NC(=O)Cc1ccc(Br)cc1O)c1cccc(S(N)(=O)=O)c1 501431522 AWVUZIKKRJFQQY-HNNXBMFYSA-N 427.320 2.612 0 40 IFAB Cc1ccc(NCCCNC(=O)N(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)nc1 1564607023 IYWYMABUWYFRNE-SFHVURJKSA-N 445.589 2.820 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)NCC3(N4CCOCC4)CCSCC3)cc2)co1 1775974445 GUSULZXGMJNNNN-UHFFFAOYSA-N 437.587 2.526 0 40 IFAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCCc2ccccc21 3456239 IPBRTFURLUBHIV-SFHVURJKSA-N 430.526 2.746 0 40 IFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F 3561484 UBUXHEKDKYNPHU-FPYGCLRLSA-N 426.416 2.777 0 40 IFAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)NC4CCCCC4)CO[C@H]23)cc1 6137706 NFRJIERVOAYSTN-MTQWCTHYSA-N 431.489 2.604 0 40 IFAB biogenic,in-vitro Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)cc1 8906101 QFPXZILHEFQSMZ-CYBMUJFWSA-N 434.543 2.693 0 40 IFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1C(=O)NC1CC1 9056512 VBQVKNUJQQUXIK-CYBMUJFWSA-N 433.559 2.752 0 40 IFAB CN(C)c1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 9302688 RHJKRDYFRDRJGQ-HSZRJFAPSA-N 430.508 2.891 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 9671802 SAISWZIWSZLTGS-KRWDZBQOSA-N 444.553 2.993 0 40 IFAB COc1cc(NC(=O)[C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc(OC)c1OC 9856715 WKARRHXOYVSHMR-LJQANCHMSA-N 446.456 2.870 0 40 IFAB Cc1cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)ccc1F 11795959 AKAKCFFCFLUTQI-ZDUSSCGKSA-N 439.490 2.751 0 40 IFAB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 12633811 ZNNXEAFHERWXQF-SFHVURJKSA-N 445.585 2.881 0 40 IFAB Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)no2)cc1 12643936 DAIVBFTWRDJMSI-UHFFFAOYSA-N 432.527 2.753 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 12754059 KMQZTWRSVMECFN-UHFFFAOYSA-N 442.947 2.551 0 40 IFAB CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 13063510 JDEHBAWDTQATDK-UHFFFAOYSA-N 443.569 2.958 0 40 IFAB CC(=O)N[C@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 13085044 RDHGTPHDVQYAJW-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 13115505 SJKKIOLRMUKDKG-CQSZACIVSA-N 445.497 2.570 0 40 IFAB CCc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1 13501947 KABTVFOHKKJJOF-GOSISDBHSA-N 444.557 2.753 0 40 IFAB COc1ccc(CNC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 13843968 OKZUXQDCRUQVBX-NRFANRHFSA-N 449.551 2.912 0 40 IFAB CN(CCOc1ccc(Br)cc1)CC(=O)NC(=O)NCc1cccs1 14926399 ONRZVLIIGHLKLX-UHFFFAOYSA-N 426.336 2.847 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccco2)cc1 17043183 NNSHLTSHGAWYKZ-FQEVSTJZSA-N 444.484 2.675 0 40 IFAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cccc(S(N)(=O)=O)c2)cs1 17524560 SONTWWPEUDCZDC-UHFFFAOYSA-N 428.539 2.767 0 40 IFAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]c2=O)C1 19499099 SVKDFPNYORVVLN-FQEVSTJZSA-N 434.540 2.850 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cn2cc(C)nn2)C1 19528941 IDRPMTZCIUPZOC-QHCPKHFHSA-N 437.569 2.913 0 40 IFAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 19583556 CQLPUAQZXYMAAB-INIZCTEOSA-N 435.406 2.935 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 19697524 IAXKCGUTXVSZJS-OAHLLOKOSA-N 448.570 2.705 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3cnccn3)CC2)cc1 19758575 ATNRNGJRRCONAK-UHFFFAOYSA-N 434.500 2.566 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 22413395 OAEYZSUGRUWMJR-LJQANCHMSA-N 438.553 2.923 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CCN(C)CC2)cc1 22795617 GQHSCVDSTBNXDM-OAQYLSRUSA-N 444.963 2.700 0 40 IFAB O=S(=O)(NC[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 22875295 NNZWRXTZFOMDNZ-XMMPIXPASA-N 436.581 2.919 0 40 IFAB COc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22928980 LRFBUIWOKZSDOB-URXFXBBRSA-N 448.571 2.768 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1ncc(Br)c(Br)c1=O 24037524 VUVGICOLJAOWHX-SECBINFHSA-N 427.096 2.746 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24611532 VBDWGSOXWASUGE-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB Nc1c(N(Cc2ccccc2)Cc2nc(C3CC3)no2)c(=O)[nH]c(=O)n1Cc1ccccc1 27308961 VWIIKTRALRTJIG-UHFFFAOYSA-N 444.495 2.634 0 40 IFAB COCCCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nc2ncccc2c1=O 32927121 CNJFGRWCMYFOPC-UHFFFAOYSA-N 437.525 2.557 0 40 IFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1cccc(OCc3ccccn3)c1)CC(=O)N2 36360498 LVXQLINETNPKMC-GOSISDBHSA-N 428.452 2.712 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccccc1Cl 40478065 OFLATRVKOQLYCH-UHFFFAOYSA-N 430.802 2.607 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 43962322 ZRGXAIFJFRXCII-UHFFFAOYSA-N 449.504 2.819 0 40 IFAB Cc1ccc(N2CN(CC(=O)NCc3ccc(F)cc3)S(=O)(=O)c3cccnc32)cc1 49411461 MWCQVJMTCWAFOX-UHFFFAOYSA-N 440.500 2.945 0 40 IFAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945226 SHOVMWWMRJAPPZ-FQEVSTJZSA-N 438.553 2.637 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 58268730 LTXBBIOVJARBJG-UHFFFAOYSA-N 431.625 2.635 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c1 71327434 WWTLFZBETKSDAN-UHFFFAOYSA-N 431.399 2.773 0 40 IFAB CCOC(=O)[C@@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H](C)CC 72303257 ZIIXXBUBSGENLK-GTNSWQLSSA-N 437.587 2.801 0 40 IFAB COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)NC(C)C)cc3)[C@H]2CO)cc1 72321334 ROQWUBBWIMMRSV-IFMALSPDSA-N 427.501 2.686 0 40 IFAB biogenic,in-vitro CC(C)c1nccn1CCC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 72325312 SNJMSTJPDDJTPB-XMMPIXPASA-N 437.544 2.730 0 40 IFAB COc1ccc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1Cn1cccn1 72336804 BCLUYSRBFOKMDQ-UHFFFAOYSA-N 428.496 2.644 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N[C@@H]1CCCOC1 72351315 JRRIMUXEKCRJGV-NQIIRXRSSA-N 439.560 2.647 0 40 IFAB COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3S(C)(=O)=O)nc21 72373808 WGNTXYSIPYDXGQ-IBGZPJMESA-N 430.574 2.885 0 40 IFAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@@H](C)O1 89930221 KMJKZDCFYYZHCX-FGTMMUONSA-N 443.510 2.770 0 40 IFAB Brc1ccc(Cc2noc([C@@H]3CCCN3c3ccc4nnnn4n3)n2)cc1 95394830 ZAZOMLMQOCAUSV-ZDUSSCGKSA-N 427.266 2.597 0 40 IFAB O=C(O)COc1cccc(NC(=O)CCNC(=O)c2cc(F)ccc2Br)c1 95425125 YWCJPWYWBXHGPP-UHFFFAOYSA-N 439.237 2.810 0 40 IFAB O=C(O)[C@@H]1CCCN1C(=O)CC12CC3CC(C1)CC(CC(=O)N1CCC[C@@H]1C(=O)O)(C3)C2 95870107 BCSUFOPZBYZULJ-SIHUTENFSA-N 446.544 2.504 0 40 IFAB Cc1ccccc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251358 LHRCNXLVFDCAOP-CPJSRVTESA-N 433.556 2.670 0 40 IFAB CC(C)CCN1[C@H]2CCN(C(=O)[C@H]3CCCO3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263927 NNVBWVKCXIYMOY-CMKODMSKSA-N 436.574 2.654 0 40 IFAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C(C)C)CC4)C1 100234516 UHRJJINEMXFVHU-HZPDHXFCSA-N 427.549 2.728 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3nccs3)C(=O)[C@H]12 100568212 JGAMTRCHRAOMSO-OVKOADNCSA-N 444.123 2.909 0 40 IFAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc1)C2=O 102070928 HKNADBLVFFYSLE-LFSCOCTRSA-N 430.416 2.721 0 40 IFAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 102760175 BFOBFKLWCPQKMC-NXHTTZLHSA-N 427.501 2.857 0 40 IFAB Cc1c(C)c2ccc(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(C)c2oc1=O 208179666 PAJBGQYAGYFSOC-ZWKOTPCHSA-N 434.492 2.905 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 219014433 YVJZEHORLJNVTL-UHFFFAOYSA-N 434.905 2.635 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccccc1 224137887 NFDPKOJCUNWUPW-QGZVFWFLSA-N 432.542 2.526 0 40 IFAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 253596728 VJXFDZRSUUSAGA-UNGZNSLQSA-N 439.556 2.849 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)nc2c1CN(C(C)=O)CC2 257318981 VQEQFECPTWZZOM-LJQANCHMSA-N 448.571 2.653 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(Cl)c1 260903427 OWCGLHFEAYERFV-KRWDZBQOSA-N 438.933 2.842 0 40 IFAB OC1CN(Cc2ccc(-n3ccnc3)cc2)CCN(Cc2ccc(-n3ccnc3)cc2)C1 536067121 MUGDUICEIJDRKF-UHFFFAOYSA-N 428.540 2.737 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(C)no3)CCO2)C1=O 643557255 RHWCXROWOOZVEN-DEOSSOPVSA-N 441.528 2.848 0 40 IFAB COc1cc(CN2CC[C@@H](NC(=O)c3cnnn3-c3ccccc3Cl)C2)cc(OC)c1 674812274 KBXAHSCSQDBTHW-MRXNPFEDSA-N 441.919 2.942 0 40 IFAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1325264 SSGFIKHHFKVWPT-UHFFFAOYSA-N 446.525 2.896 0 40 IFAB CC(=O)Oc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 2620433 BZEWVJIJWCGGFA-UHFFFAOYSA-N 438.505 2.912 0 40 IFAB COc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 2809384 HMFVNIBUVSOZIM-QGFMHUBQSA-N 447.896 2.848 0 40 IFAB CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccncc1 3501699 OUBWDCFYATWYFP-UHFFFAOYSA-N 440.485 2.572 0 40 IFAB Cc1nn(C[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1C 8714475 DOHALUOMIJAMLS-CQSZACIVSA-N 438.981 2.631 0 40 IFAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCNC2=O)cc1 8720801 TUMAMNRVHQGXPF-UHFFFAOYSA-N 437.525 2.901 0 40 IFAB Cn1c(=O)c2c(SCc3cc(-c4ccco4)on3)nc(C(C)(C)C)nc2n(C)c1=O 8757338 KBEUDPJWEDJGFD-UHFFFAOYSA-N 427.486 2.865 0 40 IFAB COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c1 9012558 LOALYLQTGGSWCG-OAHLLOKOSA-N 449.486 2.881 0 40 IFAB C[C@H](Sc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C)C(=O)Nc1nccs1 9263444 SLQHSWIFXORBMY-JTQLQIEISA-N 436.950 2.974 0 40 IFAB COC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 9435294 UGYNHYDOCGGZNY-QFIPXVFZSA-N 428.485 2.933 0 40 IFAB biogenic CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccncc1 9438586 XXGMMWFAELWMKR-UHFFFAOYSA-N 429.473 2.511 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 9493340 UKTANIMWGGFUBS-HXUWFJFHSA-N 446.301 2.541 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)c(F)c4)[C@H]3C2=O)cc1Cl 9674961 FUCVEDWQHNSZPN-QZTJIDSGSA-N 445.838 2.728 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1 9784636 YTLKFMKVRWBXQI-UHFFFAOYSA-N 431.499 2.616 0 40 IFAB COc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 9885319 TXKDJIUSLFBQLE-UHFFFAOYSA-N 444.431 2.772 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C2=O)cc1 9996064 DEMNVDQXPVIMHO-QHCPKHFHSA-N 425.460 2.793 0 40 IFAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 11365326 DROUPXXPDNUSLZ-IRXDYDNUSA-N 431.562 2.721 0 40 IFAB O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)c1ccc(F)cc1 11666314 JAQMHQWFIBDEJT-UHFFFAOYSA-N 440.456 2.972 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)cc1 12228800 AXCCZKHJSRWHEM-UHFFFAOYSA-N 445.479 2.933 0 40 IFAB CN(CC(=O)NCc1ccc(Cn2cccn2)cc1)S(=O)(=O)c1ccc(Cl)s1 12625872 IYVSJUIKUKFSAA-UHFFFAOYSA-N 438.962 2.583 0 40 IFAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4cc(F)ccc4F)C3=O)n2)cc1OC 12938686 UEOMLGMOYGMRJV-OAQYLSRUSA-N 444.394 2.999 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)cc1 13068689 DJXLZGCZQZYGHL-JLCFBVMHSA-N 441.509 2.869 0 40 IFAB CCSc1nnc([C@H]2CCCN2CC(=O)N2CCN(c3ccccc3F)CC2)n1C 13565242 VVNBCUCTYLDZDN-GOSISDBHSA-N 432.569 2.552 0 40 IFAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cncn2)cc1 14014834 UHOIVKXMWKCWBO-CYBMUJFWSA-N 445.932 2.852 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 14095891 IGNXETBTWOBDAJ-OYLFLEFRSA-N 435.480 2.766 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1C 14229121 VAJGAVZETYAXMX-OAHLLOKOSA-N 436.464 2.901 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc3nc(O)cc(C)n23)sc2c1CCC2 15881752 VZNLOCUAVMPEJR-SNVBAGLBSA-N 447.542 2.985 0 40 IFAB CC(C)(C)Nc1c(C2CCN(C(=O)C[C@@H]3SC(=O)NC3=O)CC2)nc2ccccn12 19083127 FWWKHSHZDFWQDF-AWEZNQCLSA-N 429.546 2.992 0 40 IFAB COc1ccc(OC)c(CC(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)c1 19288975 XTZRZIQMLHZSBO-UHFFFAOYSA-N 449.555 2.823 0 40 IFAB CCc1nccn1CC1(O)CCN(C(=O)c2cc3cc(OC)c(OC)cc3n2C)CC1 19523615 QTVOWJACIBESEZ-UHFFFAOYSA-N 426.517 2.622 0 40 IFAB NNc1nc2sc3c(c2c(=O)n1C(=O)c1ccccc1)CCN(Cc1ccccc1)C3 19708527 JELHBWLKAHTOEH-UHFFFAOYSA-N 431.521 2.990 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc2c1CCN(C)C2 19708809 WAEGJSQHYXLXFA-IBGZPJMESA-N 449.599 2.961 0 40 IFAB COc1ccc([C@H]2C[C@@H](NCc3cnc(N(C)C)nc3)CC[C@]23CCC(=O)N3)cc1OC 19740318 JEEOBNAMQLBTFC-GLDPYIMESA-N 439.560 2.635 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3N)C2)nc2c1CC(=O)N2Cc1ccccc1 19743718 TZJUBBZORZYYFS-GOSISDBHSA-N 442.523 2.871 0 40 IFAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)nc2c1CCNC2 19754877 NKZDSFISLDWETL-GOSISDBHSA-N 445.589 2.705 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CN(C)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 19757580 OJYXKHOECFOYIT-IBGZPJMESA-N 439.535 2.608 0 40 IFAB CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)N4CCC(C(N)=O)CC4)[nH]c(=O)c23)C1 21882637 QZJATGWZKQNJSF-AWEZNQCLSA-N 444.601 2.792 0 40 IFAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 22021135 VTEVNHUIKVBJJX-FYSMJZIKSA-N 440.496 2.920 0 40 IFAB CCc1ccc(N(CC(=O)NCCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 22361711 BKFLBRGRBKAREJ-UHFFFAOYSA-N 434.558 2.781 0 40 IFAB CCN1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)CC1 22767600 PFUJIAFTNYQWLL-UHFFFAOYSA-N 425.554 2.947 0 40 IFAB Cc1ccc(S(=O)(=O)NCCN2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 22789914 JCEWTZWAOXZNIH-UHFFFAOYSA-N 437.993 2.623 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCNC(=O)c1ccccc1 25519878 AESYEGIRIVIKCH-GOSISDBHSA-N 433.961 2.738 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@H](C(N)=O)c3ccccc3)cc2)cc1 26218670 LBEIYNFBUXMDTM-FQEVSTJZSA-N 440.477 2.879 0 40 IFAB Cn1c(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)nc2n(C)c1=O 29980231 BWQBIUCGKLDULX-UHFFFAOYSA-N 427.892 2.528 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCSc2nnc3c(n2)[nH]c2ccccc23)cc1 32848691 AYCBSUWYKKTOKP-UHFFFAOYSA-N 429.527 2.928 0 40 IFAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1S(=O)(=O)N1CCCCC1 32885714 PXKVOXPSVJTMET-UHFFFAOYSA-N 430.526 2.839 0 40 IFAB O=C(CN1C(=O)N[C@@H](c2ccccc2OC(F)(F)F)C1=O)Nc1ccc2c(c1)OCO2 32932701 JCOLBMTYORXIQK-INIZCTEOSA-N 437.330 2.546 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 34866173 KUYDHOHSHNDUIF-UHFFFAOYSA-N 425.913 2.733 0 40 IFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 36719253 UNRGQWFQDAMBSO-UHFFFAOYSA-N 433.386 2.821 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43957268 BNVRLJQXACHIST-UHFFFAOYSA-N 438.527 2.724 0 40 IFAB COc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c(OC)c1 67300848 KTVIFMCJXHAKPS-UHFFFAOYSA-N 441.459 2.549 0 40 IFAB Cc1ccc2c(c1)N(C(=O)Cn1c(-c3ccc(F)cc3)nc(C)c(CCO)c1=O)CCO2 67300998 PHBICNJSLHTYHO-UHFFFAOYSA-N 437.471 2.627 0 40 IFAB COc1ccc(OC)c(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 71286715 LQYUFGINFZQKEF-UHFFFAOYSA-N 432.908 2.828 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3(c4cccc(F)c4)CCCC3)cc2)CC1 72346524 BXFORPDUXZRXIS-UHFFFAOYSA-N 445.560 2.961 0 40 IFAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 95478475 UJEFBOAZDKUKRL-QFIPXVFZSA-N 434.540 2.525 0 40 IFAB O=C(CC1CC1)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96145877 VPJLNPZBGNWBEW-PMACEKPBSA-N 441.553 2.825 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 216392321 GXEVRWAZCKGAAH-QGZVFWFLSA-N 432.542 2.738 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 219118462 BNHZVOAXJRGAKU-AWEZNQCLSA-N 438.506 2.798 0 40 IFAB COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c2ccccc12 222598843 OJZIEUOFQRITNX-UHFFFAOYSA-N 442.493 2.910 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 222773343 BCQOMUQVHRXPMY-UHFFFAOYSA-N 426.494 2.693 0 40 IFAB O=C(NCCOCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 224356043 FTWQCSWRWKJNLW-UHFFFAOYSA-N 434.533 2.701 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 224468030 NJJKIQORBGSIAE-UHFFFAOYSA-N 433.530 2.630 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCSCc3ccco3)s2)c1 224912862 ZCPFJRGPMNDZDL-UHFFFAOYSA-N 438.556 2.904 0 40 IFAB O=C1COC(=O)N1C1CN(S(=O)(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1 252481614 CPDFYNOECRMJNM-UHFFFAOYSA-N 440.399 2.724 0 40 IFAB O=C1CN(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)C(=O)N1 257269348 MPOZFTMREPVWIH-OAHLLOKOSA-N 435.406 2.701 0 40 IFAB CC(C)n1cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306133773 MVQLOZSXLGNLNT-ZCYQVOJMSA-N 446.555 2.651 0 40 IFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(I)c2)C1=O 409073016 WUHLXFDBOPAKQH-OTIXFSKASA-N 447.250 2.898 0 40 IFAB O=C(NCC1CCN(CC(F)(F)F)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 445167296 QROKTRNMMLJONL-UHFFFAOYSA-N 440.466 2.533 0 40 IFAB CN(C)S(=O)(=O)c1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)co1 541642975 NNHTWCKDIPJWJZ-UHFFFAOYSA-N 431.283 2.630 0 40 IFAB O=C1C[C@@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CN1Cc1cncs1 585103631 LHPILRRRTFYCBU-NRFANRHFSA-N 441.582 2.913 0 40 IFAB O[C@@]1(COc2ccc(F)cc2)COCCN(Cc2ccc(OCCN3CCCC3)cc2)C1 585270485 DBSSGBZYNTZEBT-RUZDIDTESA-N 444.547 2.943 0 40 IFAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)n1 585291426 CUFRPKHLFHYFGQ-GFOMBABLSA-N 438.561 3.416 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(C)on2)c2ccnn23)cc1 1772596485 LEBZHMFLUXJVDD-UHFFFAOYSA-N 435.484 2.757 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)n2)n1 1775969229 DHMTUPRGEJYGRY-UHFFFAOYSA-N 446.433 2.937 0 40 IFAB O=C([C@H]1C[C@@H](NCc2ccccc2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O)N1CCOCC1 2332241856 VGGVTOLDUDNYIA-XWVZOOPGSA-N 446.551 2.558 0 40 IFAB CCOC(=O)C1=NN(C(=O)COc2ccccc2)[C@](O)(c2ccc(Br)cc2)C1 796949 MFLKANXBEQNPMI-HXUWFJFHSA-N 447.285 2.825 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1Cl 810465 VFYPWBVWWDSHED-UHFFFAOYSA-N 431.297 2.805 0 40 IFAB NC(=O)C1CCN(C(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 917971 XOZFJHUBDALXNW-UHFFFAOYSA-N 428.436 2.962 0 40 IFAB C[C@@H]1CCCN(C(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)C1 1325741 DQKSXTGHKFKEQI-MRXNPFEDSA-N 440.573 2.657 0 40 IFAB CC(C)C[C@@H](C(=O)OCC(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O 3313715 CMNIAMUMZQGWOH-NRFANRHFSA-N 434.492 2.825 0 40 IFAB Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 6658883 POPVKXDJWZUBJI-INIZCTEOSA-N 426.513 2.876 0 40 IFAB Cc1cc(N)nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 8720884 CGMAPIQNENLPGC-UHFFFAOYSA-N 441.966 2.536 0 40 IFAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)ccc21 9290416 KVUKUNFTHSSYMS-UHFFFAOYSA-N 436.493 2.930 0 40 IFAB CC[C@]1(C)NC(=O)N(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O 9750935 VZDMPIJZMQTRLF-JTSKRJEESA-N 442.903 2.953 0 40 IFAB CCC(=O)c1ccc(OCC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 10707498 RLCOMGYZVSZQJY-UHFFFAOYSA-N 432.542 2.802 0 40 IFAB CCCO[C@H]1CCCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 12235952 STNNVXVUQYJFFX-UXHICEINSA-N 430.593 2.567 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1 12564946 UBUMXFCMUHECGP-UHFFFAOYSA-N 427.940 2.567 0 40 IFAB C[C@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)C1 12582018 NPYWZADGWAKZKB-KRWDZBQOSA-N 432.590 2.939 0 40 IFAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 12932869 LLXBZEAZVMPUPY-FQEVSTJZSA-N 436.899 2.538 0 40 IFAB Cc1sc2nc(CN3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[nH]c(=O)c2c1C 13121572 XWYYAKZYFPMXLF-UHFFFAOYSA-N 435.553 2.970 0 40 IFAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13848577 ACLIXGHFYSKNAY-UHFFFAOYSA-N 434.525 2.666 0 40 IFAB O=C(COc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 14246817 CJLMCONFXVKUJU-UHFFFAOYSA-N 446.422 2.756 0 40 IFAB CC[C@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 16846374 IHNYUCLOPFWDBZ-AWEZNQCLSA-N 425.551 2.926 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21 17316065 AORZZMCRKRLMBD-UHFFFAOYSA-N 430.464 2.644 0 40 IFAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@@H](C)NC(=O)c1ccco1 18201358 BQDPBNSMKGUZMB-GFCCVEGCSA-N 443.485 2.811 0 40 IFAB O=S1(=O)N=C([C@@H]2CCCN(Cc3ccnc(N4CCCCC4)n3)C2)Nc2ccccc21 19375679 WKUINPJEXVHDLU-QGZVFWFLSA-N 440.573 2.892 0 40 IFAB CC(C)c1cc(C(=O)N2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)no1 19452661 RBSATRGYWVFCES-BXKMTCNYSA-N 438.528 2.510 0 40 IFAB CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(S(=O)(=O)N(C)C)C1 19526197 PCKWNCVHVPDHQV-QHCPKHFHSA-N 444.601 2.658 0 40 IFAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19529001 RMWUFJZPBDEYAW-VWLOTQADSA-N 448.498 2.787 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N3CCCN=C3c3cnn(-c4ccccc4)c32)cc1 19555738 YGUVBAGFCQAAOW-UHFFFAOYSA-N 444.495 2.590 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)CCc3nc(C)no3)C2)cc1 19694925 FDDMBNXJNCWWMB-KRWDZBQOSA-N 436.516 2.858 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)CCCc3ccc(F)cc3)C1)C2=O 19700793 ZXTNDEHSMQAYBR-FQEVSTJZSA-N 444.551 2.546 0 40 IFAB Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940937 LEHOKUQVEQJZAN-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20047689 JLZAOELHFWMBHG-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB CCN(CC)Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 20457907 KJACQBSVDWUHOY-UHFFFAOYSA-N 445.585 2.943 0 40 IFAB CN1CCN(C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CCCCC2)CC1 20676606 ICMSONGRUQVEGD-SFHVURJKSA-N 432.996 2.759 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 21528780 DTUMVDLETMFKHD-HNNXBMFYSA-N 432.571 2.774 0 40 IFAB COc1cccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N(C)C)c3)[nH]n2)c1 21806314 XLHRXIGYWQRWLJ-UHFFFAOYSA-N 430.486 2.597 0 40 IFAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 23005223 ADVXLZLJEQWCMK-MRXNPFEDSA-N 428.920 2.512 0 40 IFAB COc1cc2c(cc1/C=C/C(=O)N1CCN(CC(=O)N3CCCCCC3)CC1)O[C@H](C)C2 24768621 HRHKVBDYNXXBFL-IHHMQQGQSA-N 441.572 2.579 0 40 IFAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1nc(N)nc(N(C)C)n1 24903976 NJXBUJJYZCPRDL-WFASDCNBSA-N 444.540 2.950 0 40 IFAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 26497162 VIMICXILJIMYDU-LJQANCHMSA-N 434.489 2.597 0 40 IFAB COc1ccc(CN2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)cc1F 27541822 IYNMUZQEMAOYDR-UHFFFAOYSA-N 441.486 2.802 0 40 IFAB O=C(NCC(=O)N1CCC(c2nnc3ccccn23)CC1)c1cccc(Br)c1 28736778 VDBMFNJKKQJGCY-UHFFFAOYSA-N 442.317 2.628 0 40 IFAB COc1ccccc1OCCNC(=O)[C@@H](CCSC)NC(=O)COc1ccccc1 32999719 XMEVCMXGQSCNPJ-GOSISDBHSA-N 432.542 2.507 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccc2nsnc2c1 36700486 ABOKKFCFIYBPTB-UHFFFAOYSA-N 435.444 2.744 0 40 IFAB Cc1nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(N2CCCC2)n1 38670703 FNYKYRUAJDOJNH-UHFFFAOYSA-N 429.468 2.794 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccs2)N2CCCC2)c(C)c1 39976204 ORNWIMSTRAAGHR-GOSISDBHSA-N 435.615 2.987 0 40 IFAB CN1CC(=O)Nc2cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)ccc21 40155421 QOJJXEGYYBBTII-UHFFFAOYSA-N 435.480 2.581 0 40 IFAB COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)N1CCCC1 48288358 VVXYVOZPHQQLIO-HXUWFJFHSA-N 425.533 2.885 0 40 IFAB COCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 57485914 IOXVVHYRTBBUOA-UHFFFAOYSA-N 427.404 2.529 0 40 IFAB Cc1ccc(C2(CN3CCC(NC(=O)CC[C@@H]4NC(=O)NC4=O)CC3)CCCCC2)cc1 72393577 QSTUEOFSSMJGDW-NRFANRHFSA-N 440.588 2.766 0 40 IFAB CCOc1ccc(-c2nc(CC(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)cs2)cc1 89991207 CWYBOWNMGMQWBH-GOSISDBHSA-N 439.541 2.715 0 40 IFAB O=C(CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1)Nc1nncs1 95456939 WZTVZFITMBXQCN-UHFFFAOYSA-N 431.525 2.909 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96103503 RNLSWPIXZFWSEY-GOSISDBHSA-N 427.931 2.780 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H]1CCCc2ccccc21 220009894 LAYFPFFPDUCLPU-QFIPXVFZSA-N 427.570 2.739 0 40 IFAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)n2)cc1 222486977 ZBWAIBGVXSZAMI-UHFFFAOYSA-N 444.513 2.722 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3cccc(OC)c3)S(C)(=O)=O)s2)cc1 222762094 TZTXHJOMNFXPCQ-UHFFFAOYSA-N 448.526 2.627 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)ccc21 224989058 ZMHROKPWUNDCLK-UHFFFAOYSA-N 448.497 2.590 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225116674 QSDGNCFJVOWTOB-UHFFFAOYSA-N 439.461 2.769 0 40 IFAB CCOc1cc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC 225865099 BRHCWJNLWWOMAE-UHFFFAOYSA-N 448.526 2.676 0 40 IFAB O=C(O)CC1(CC(=O)NC[C@]2(O)CCCN(c3ccnc4cccnc34)C2)CCCC1 257290354 QCQCHTRELSXQFC-HSZRJFAPSA-N 426.517 2.503 0 40 IFAB O=C1NCCN(C(=O)COc2ccc(F)cc2F)[C@H]1Cc1cccc(-c2cccnc2)c1 257295971 RAQNAGGFCMZVFI-NRFANRHFSA-N 437.446 2.975 0 40 IFAB CN(C)c1ncc(-c2ccnc(Cl)c2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257296720 RECKWEXFXKLKCU-INIZCTEOSA-N 425.924 2.861 0 40 IFAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 408714271 MPTVPPAABCONFG-XJKSGUPXSA-N 435.373 2.830 0 40 IFAB COc1ncc(CN2C[C@@H](C(=O)NCc3cc(F)cc(F)c3)C[C@H]3OCC[C@H]32)cc1C 585108725 LNHHIGOJBWODGN-IOMROCGXSA-N 431.483 2.973 0 40 IFAB CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585282041 GHUNRVRADDRBQE-FQEVSTJZSA-N 430.904 2.542 0 40 IFAB Cc1ccc2c(c1)OC[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC2=O 643561340 GESRYMFDCDYLIF-DUXKGJEZSA-N 431.577 2.814 0 40 IFAB O=C(NC[C]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 1560410094 CMHQFUARZIXENU-UHFFFAOYSA-N 434.881 2.683 0 40 IFAB CCOc1cc(S(=O)(=O)NCc2ccccc2Cl)c(OCC)cc1-n1cnnn1 1325372 LBVADANIECHPOC-UHFFFAOYSA-N 437.909 2.592 0 40 IFAB C[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(N)=O)n32)C1 2293872 ZXFCYJVZJFWIBP-NSHDSACASA-N 425.539 2.797 0 40 IFAB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)N1CCOCC1 2720846 GKTOOJOXMQVZOL-UHFFFAOYSA-N 438.484 2.957 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NC1CC(C)(C)NC(C)(C)C1 4295711 KZZYZKIFZWAXDW-XOBRGWDASA-N 433.574 2.699 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NCCc1ccccc1F 7252376 UKLVICABWBHVKL-JOCHJYFZSA-N 425.504 2.765 0 40 IFAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc(F)cc1 9187569 ZTYHGZRFOGSEPX-PFDOBSCMSA-N 441.528 2.995 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)NN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)c2O1 9336174 NOEFASZDELOPPX-DEOSSOPVSA-N 437.496 2.753 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Cc3cccs3)n2C)c1C 9393179 WCOXSRIJQWQTFB-UHFFFAOYSA-N 429.571 2.931 0 40 IFAB CC(C)n1c(=O)n(CC(=O)NCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 9435518 XGAUGBSMFZBVKQ-UHFFFAOYSA-N 441.553 2.973 0 40 IFAB COc1ccc(OC)c(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1 9490747 XJKVUHKIEBMOOD-UHFFFAOYSA-N 437.481 2.857 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)OCCCO4)C2=O)cc1 9549190 PFKXDAGEFZAKKD-DEOSSOPVSA-N 438.480 2.983 0 40 IFAB O=C(CN1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9578073 AZMCQKQGDNOEMV-KRWDZBQOSA-N 437.562 2.557 0 40 IFAB O=C(COC(=O)c1ccc(Cl)nc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9632875 UALXSTSVGYNGLD-UHFFFAOYSA-N 437.905 2.705 0 40 IFAB CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)cc1)c(=O)n2CC(C)C 10488678 MTRSJCUGTIHXQK-UHFFFAOYSA-N 431.924 2.964 0 40 IFAB COc1cc(Cl)c(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1OC 11102183 KYLWAFMUMRMBIH-HNNXBMFYSA-N 438.933 2.989 0 40 IFAB CCOC(=O)NCCc1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 12413590 PISIRGADTSFAEH-UHFFFAOYSA-N 434.470 2.707 0 40 IFAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12587486 VXYYWDXYFKBLNR-UHFFFAOYSA-N 428.539 2.682 0 40 IFAB CC1CCN(CCCNC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 12779994 XKOICMAHNMYMQL-LJQANCHMSA-N 430.014 2.881 0 40 IFAB CCOC(=O)N1CCC[C@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 12809522 FXRGJBXCLOWBAW-ZDUSSCGKSA-N 426.311 2.681 0 40 IFAB O=C1c2ccccc2C(=O)N1OCC(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 12961327 SMZNEMOZGZRKGT-NYHFZMIOSA-N 430.416 2.891 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 12983580 MGQKSBJKXMNTGI-UHFFFAOYSA-N 445.516 2.757 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N4CCOCC4)cc3s2)cc1 13689997 WBOGYRUQDDUFJG-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1 14402239 ACRCYWJAAWBEBK-LJQANCHMSA-N 428.489 2.519 0 40 IFAB COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC 16751293 IGTODYOYRCZXAS-IBGZPJMESA-N 439.464 2.973 0 40 IFAB CC(C)CNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 17113222 PZYVMPKMICSIEQ-INIZCTEOSA-N 428.963 2.805 0 40 IFAB COC(=O)[C@H](C(=O)C(N)=O)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 17213232 VIAAEKKFZBLEJO-IBGZPJMESA-N 446.488 2.974 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3cnc(N(C)C)nc3)C1)O2 19019622 ZYTHJMACCLXDJV-CVDCTZTESA-N 439.560 2.573 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19591174 JRRQJRHMKPKYTI-RUZDIDTESA-N 448.498 2.787 0 40 IFAB COc1ccc2c(c1)cc(C(=O)N(C)Cc1ccc([C@H]3CN(C)C[C@@H]3C(N)=O)cc1)n2C 19699188 XZNODXBXONGUOU-RTWAWAEBSA-N 434.540 2.590 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)c(C)n1 19706975 MCFWHKIFHRCJTF-QGZVFWFLSA-N 432.594 2.651 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 19707825 NTGUBORBLJOGSS-FQEVSTJZSA-N 425.508 2.858 0 40 IFAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 20019024 YNWPCJXISRFSJA-INIZCTEOSA-N 448.541 2.745 0 40 IFAB Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 20635648 YLALCVOXFDNGFV-ZDUSSCGKSA-N 445.321 2.876 0 40 IFAB C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 23248678 SPXPQXZKOQRHRD-GFCCVEGCSA-N 432.874 2.582 0 40 IFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1cccc(-n2cnnn2)c1 24016020 QBEONKUDFBBLKF-UHFFFAOYSA-N 426.436 2.830 0 40 IFAB CCCNC(=O)Cn1c(=O)/c(=C\c2ccc(C(C)C)cc2)s/c1=C\C(=O)C(C)(C)C 25044045 AQBYLIXNCSCNLZ-MEUPMUBXSA-N 428.598 2.784 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc2ccccc2c(=O)n1C 25047268 RFGQKRCEECBRCK-UHFFFAOYSA-N 426.542 2.527 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCN(c2cnccn2)C1 32777459 BHENMNRWDLTSLB-AWEZNQCLSA-N 432.322 2.519 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OC)c([N+](=O)[O-])c3)C2=O)o1 33457700 VBXWCKFMHMQILM-SDQBBNPISA-N 435.776 2.729 0 40 IFAB CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1ccc(C(C)(C)C)cc1 35271152 FKJUUKVGJGPQSF-GUCLMQHLSA-N 431.485 2.661 0 40 IFAB Cc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)cc1Cl 49400293 REMUSAKFEGKXSI-ZIAGYGMSSA-N 428.924 2.974 0 40 IFAB CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 58910303 QNCHMPDAEFZVDU-CQSZACIVSA-N 431.480 2.894 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 62022915 NHJRNMQKXUMDIL-LJQANCHMSA-N 448.527 2.819 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 71328296 PTERSMPIVOVMEI-UHFFFAOYSA-N 447.451 2.879 0 40 IFAB Cc1cc(C)n2nc(C(=O)N3CCC(c4nc(C)c(C)c(N5CCOCC5)n4)CC3)cc2n1 72337164 LMWKUTBRVBESOP-UHFFFAOYSA-N 449.559 2.609 0 40 IFAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1 72392507 KYADBAIUUDIHRB-UHFFFAOYSA-N 431.543 2.660 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C1)O2 72396518 ZCONQPPOJYBVPW-FOIQADDNSA-N 435.484 2.636 0 40 IFAB O=C(Cn1ncc2ccccc2c1=O)NCCn1ccc2ccc(Br)cc21 72401396 IRKFFPJAXCSDIJ-UHFFFAOYSA-N 425.286 2.930 0 40 IFAB C[C@@H](O)C[C@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 89895234 VJQLMTWIDHYBCW-NVXWUHKLSA-N 438.571 2.714 0 40 IFAB COCCn1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc2ccccc21 95476678 JYSJSYXENIQRLN-UHFFFAOYSA-N 441.553 2.743 0 40 IFAB O=[N+]([O-])c1ccnc2c1cc(I)n2S(=O)(=O)c1ccccc1 95919968 UOXXXCNGJVEJHK-UHFFFAOYSA-N 429.195 2.786 0 40 IFAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 102687167 KQCJXOWIFYILBM-WUEYEGCSSA-N 438.094 2.848 0 40 IFAB COc1ccc(-c2csc(C3=C(O)CN([C@H]4CCS(=O)(=O)C4)C3=N)n2)cc1OC 102732418 HADVVCMRMJTYDT-LBPRGKRZSA-N 435.527 2.576 0 40 IFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 104000174 DDROSTQOBGJOIA-OKZBNKHCSA-N 434.558 2.507 0 40 IFAB NCC1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218238846 DTWOKSAOLIYTED-JKSUJKDBSA-N 429.767 2.946 0 40 IFAB CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 223711685 YSWVVMIQALGQPO-HXUWFJFHSA-N 432.542 2.706 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1Cl 224046715 IKBXVLADGSLRHI-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3CC)ccc1OC 225100706 AFXKACVPANANJJ-UHFFFAOYSA-N 435.527 2.642 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOc3ccccc32)C1 260752490 YLECDNBMQQKWFB-HNNXBMFYSA-N 434.489 2.661 0 40 IFAB CC[C@@H](NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc(S(N)(=O)=O)c1 563323766 NTHZXVXKRFZVJH-RTBURBONSA-N 446.529 2.724 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)sc(C)c1C 3500826 CCQCTUQZDMOLEZ-UHFFFAOYSA-N 433.515 2.867 0 40 IFAB N=C(N)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=N)N)cc3)cc2)cc1 4707217 YZUBZTSXZYJCGN-UHFFFAOYSA-N 430.472 2.802 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 9156205 KMZJDGOYMQWGMJ-CYBMUJFWSA-N 438.553 2.955 0 40 IFAB CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)n1 10131256 POJGMSOKXNKHPQ-UHFFFAOYSA-N 449.510 2.986 0 40 IFAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccc2c(c1)OCO2 10255454 QALSSMZHHFUODO-HNNXBMFYSA-N 443.525 2.761 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 10295945 DYMKBVOEDJCSPN-FQEVSTJZSA-N 447.455 2.946 0 40 IFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cc3c(cc2Br)OCCO3)c1=O 10912049 JPMUOCYMYZAOMB-UHFFFAOYSA-N 433.180 2.548 0 40 IFAB Cc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)Cn3ncc4ccccc4c3=O)CC1)O2 12154163 SXVJIVRVMMZNIS-HSZRJFAPSA-N 431.492 2.978 0 40 IFAB COc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)cc1OC 12468463 PVDPFPBCBMGJTQ-UHFFFAOYSA-N 432.531 2.746 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 12537724 GEFKMJWBYOALQW-FQEVSTJZSA-N 429.904 2.713 0 40 IFAB CN(CC(=O)Nc1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1cccs1 12854372 XLSHTXKZKROHGE-UHFFFAOYSA-N 431.543 2.551 0 40 IFAB O=C(NCCN1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13688570 LOVQFNLWBLLNPI-UHFFFAOYSA-N 427.998 2.733 0 40 IFAB COc1cc(C)ccc1OCC(=O)NCCOc1ccc2nnc(-c3ccccc3)n2n1 13705702 CWWQHPGYKMGTTD-UHFFFAOYSA-N 433.468 2.682 0 40 IFAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 13944665 IFKJVSQVHPOUGU-OAHLLOKOSA-N 427.530 2.894 0 40 IFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 16188333 UYMYESUIQKVBFQ-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB CCOc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 16506518 ORZTYGCPSSEKHI-UHFFFAOYSA-N 430.530 2.794 0 40 IFAB COc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(Cl)cc4)c3=O)n2)cc1 16842361 OAWYABGSKGCCGH-UHFFFAOYSA-N 449.858 2.797 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 18204362 CGLAGLDRVNBMGP-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB CC(C)(C)N1C[C@@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)CC1=O 19082842 YQTOAJYVRZJZLP-HNNXBMFYSA-N 438.557 2.832 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC 19549525 FIGSCXZJIZJRDU-KRWDZBQOSA-N 436.468 2.835 0 40 IFAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)CCc3ccccc3F)n2)CC1=O 19700841 NRZJHNOLWFKSCO-SFHVURJKSA-N 441.551 2.997 0 40 IFAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCN(C)c1ccccc1F)C2 19710685 ZBECUBMFDBHQTC-UHFFFAOYSA-N 440.567 2.878 0 40 IFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCN(C/C=C/c2ccccc2)CC1 20760264 RJWUPGTXPZGQKO-XBXARRHUSA-N 444.535 2.579 0 40 IFAB biogenic O=C1C[C@@H](C(F)(F)F)N(C(=O)Cn2nc(-c3cccs3)oc2=O)c2ccccc2N1 21523480 GJVBDECHKBXOJA-ZDUSSCGKSA-N 438.387 2.871 0 40 IFAB CC(=O)N[C@@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)c1ccccc1 27285048 SGFJJTWBCXCULW-UGKGYDQZSA-N 448.523 2.698 0 40 IFAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N1CCN(c2cccc(Cl)c2)CC1 32097140 JMBIQTMAJKMETG-UHFFFAOYSA-N 432.929 2.802 0 40 IFAB COc1cccc(Cn2nccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1OC 32810780 JQNVOIWFTBWLAM-UHFFFAOYSA-N 448.479 2.964 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCn3ncc(=O)c4ccccc43)ccc21 32837709 QZTTXJIXJGQWKO-OAHLLOKOSA-N 433.464 2.510 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 34857783 SZQPBJPYZSIVNV-AVRDEDQJSA-N 429.586 2.841 0 40 IFAB O=C(COc1ccccc1Cl)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 36394944 JITOCNYOHMRWCR-KRWDZBQOSA-N 432.904 2.709 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)nc(C)n2)n1 36705452 CEKIFRNXPDTVDB-UHFFFAOYSA-N 431.500 2.620 0 40 IFAB COc1cc([C@@H](C)NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC 40111824 AGJZLIDWTXHOFX-CQSZACIVSA-N 426.469 2.884 0 40 IFAB Cc1cc(=O)n2nc(C(F)(F)F)nc2n1CC(=O)Nc1cccc(Br)c1 40159349 GBPCXJHBWYTTFU-UHFFFAOYSA-N 430.184 2.619 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)c1 57525909 FBXYMMBFBLIEBM-UHFFFAOYSA-N 425.485 2.865 0 40 IFAB Cc1cc(NC(=O)CN2CCN(Cc3c(C)nn(Cc4ccccc4)c3Cl)CC2)no1 59374033 FGKQQMPYEPSPLD-UHFFFAOYSA-N 442.951 2.946 0 40 IFAB C[C@]1(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)CCS(=O)(=O)C1 71966473 FXTUNNCDGVXUFH-AWEZNQCLSA-N 435.390 2.870 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72325846 RXPQJVLPFUDFDU-SRVWHDFXSA-N 432.952 2.899 0 40 IFAB CC(C)(C)c1csc(CCNC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)n1 72326272 NSDMROYBYBLHGZ-KRWDZBQOSA-N 440.569 2.751 0 40 IFAB biogenic COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccco3)CC1)CC2=O 72327720 GORZGXQTARBCPT-GYCJOSAFSA-N 440.496 2.752 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4ncccc34)C2=O)cc1OC 96115019 YBMLEWOGNWSUGW-SFHVURJKSA-N 434.452 2.701 0 40 IFAB biogenic O=C(Nc1ccc(Cl)cc1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccno3)CC2)O1 96144659 UHCRTMMBDZMVRS-KRWDZBQOSA-N 441.875 2.694 0 40 IFAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 107365537 ALVCIIDTNGGTRL-HKUYNNGSSA-N 426.542 2.730 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3cc(C)cc(C)c3)C2)cc1 108895306 FXCUAIUYXBZAGX-LJQANCHMSA-N 446.569 2.908 0 40 IFAB COc1cc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c(OC)cc1Cl 220054415 DNMUKBZYQOEKIF-UHFFFAOYSA-N 438.933 2.708 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220457941 YLBRLPUTDUUXBM-KBPBESRZSA-N 442.484 2.712 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2)CC1 223216312 WAMBEZOTFOKPRD-NRFANRHFSA-N 431.558 2.589 0 40 IFAB Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)n1 257205395 AYVGWQAGKLQIBX-KRWDZBQOSA-N 436.516 2.567 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C(C)C)nn2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 257323080 WIRJIEGUSXYQPW-QHCPKHFHSA-N 446.555 2.766 0 40 IFAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2OC)cc1 408710069 NOYWRNHWROBHSL-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 409023691 CANQEQFOTSTIOB-UHFFFAOYSA-N 433.530 2.628 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)cc1 409150228 AUQSTVDCSPPHEX-LICLKQGHSA-N 442.449 2.834 0 40 IFAB Cc1ccc(CN2C(=O)CC[C@H]2c2nc(-c3cccc([C@@]4(C)NC(=O)NC4=O)c3)no2)cc1 570726000 YLOQFYWXEOQUPP-MHECFPHRSA-N 445.479 2.963 0 40 IFAB CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccc(Cl)cc4)oc3nc2n(C)c1=O 585152486 NXYWISRSBIVRGX-UHFFFAOYSA-N 442.859 2.900 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(CC3(O)CCN(c4cccc(C)c4)CC3)CC2)C1 585262886 NXRSRVBUIBTCLY-QHCPKHFHSA-N 429.605 2.818 0 40 IFAB Cc1ccc(OCC2(O)CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c(C)c1 585274572 WYKIPTGDNPSPLV-UHFFFAOYSA-N 426.513 2.554 0 40 IFAB Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 605261144 KRENMHJDPVUMKV-GOSISDBHSA-N 427.892 2.896 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)Cc2ccccc21 643554308 PELJFYXNSPNVFL-UHFFFAOYSA-N 448.571 2.916 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cc(C)on3)CCO2)C1=O 643556148 JMGWREUZCSVDFJ-DEOSSOPVSA-N 441.528 2.848 0 40 IFAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N(C)C[C@H](O)CO)ccc21 643575014 AVTKZHCZSSINSJ-QFIPXVFZSA-N 433.593 2.639 0 40 IFAB FC(F)(F)c1cccc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)n1 2086865966 CYCMJIPQGRMSPB-CQSZACIVSA-N 433.438 2.746 0 40 IFAB O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[nH]2)CC1 1355257 YZIHAKVOUSBPJV-UHFFFAOYSA-N 438.507 2.988 0 40 IFAB COc1ccc(CCNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1735516 DFZYSHXMJODPTK-UHFFFAOYSA-N 434.514 2.577 0 40 IFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(C(=O)OC)cc3)N2C1=O 2247693 GJVSZPHCDCMKTK-DOTOQJQBSA-N 432.498 2.702 0 40 IFAB O=C(CSc1ncnc2sccc12)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 3345543 VXQCMQRJWYAZPI-OAHLLOKOSA-N 433.580 2.999 0 40 IFAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(F)c(F)c1F 3452359 HSIKHUYIPOJJMD-UHFFFAOYSA-N 429.420 2.712 0 40 IFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(S(=O)(=O)NCc2cccs2)c1 8777458 MLAMKWBMHMJCAG-UHFFFAOYSA-N 428.495 2.649 0 40 IFAB COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 9108944 LYNYLQRTUMQIOX-QGZVFWFLSA-N 445.523 2.936 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)cc1 9124580 QOWCTUCISWDMNN-UHFFFAOYSA-N 433.443 2.643 0 40 IFAB CCOC(=O)C1=C(COc2ncnc3ccccc23)NC(=O)N[C@H]1c1ccc(OC)cc1 9128210 XELSWMRZZCYRMN-FQEVSTJZSA-N 434.452 2.889 0 40 IFAB COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1 9152078 VWAXWINWVYDGME-UHFFFAOYSA-N 430.511 2.631 0 40 IFAB CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 9216875 LHUGVOQXHIHALB-JLTOFOAXSA-N 443.525 2.940 0 40 IFAB COc1ccccc1OCc1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 9289751 KLHQIAQHZUEEJZ-UHFFFAOYSA-N 432.531 2.862 0 40 IFAB O=C(CCc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9492667 LBSLSGDFASCMJU-UHFFFAOYSA-N 443.569 2.879 0 40 IFAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4CCc3ccccc3)n(C)c2=O)c1 9519131 SROQKGDFUQCJFG-LJQANCHMSA-N 443.551 2.952 0 40 IFAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2NC1=O 9604284 GDVDVTYDNFMOOB-ZDUSSCGKSA-N 441.465 2.730 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCCC2)c1 9622088 VIYPSIZMXKZYHT-UHFFFAOYSA-N 429.517 2.889 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](C(N)=O)C2)c1 9767101 IJQMMQQOLZLRIS-AWEZNQCLSA-N 435.933 2.503 0 40 IFAB COc1cc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 9806162 XNSANHSZTMOTDZ-QGZVFWFLSA-N 448.541 2.604 0 40 IFAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCNc1ccc(Oc2ccccc2)cc1 10049335 KMAMYSVQFFEATD-UHFFFAOYSA-N 444.495 2.899 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)c1 10444752 LJAFUMSXKBKAQE-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 10454735 PGXWMXNSVUNIBG-JTQLQIEISA-N 446.403 2.545 0 40 IFAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12627343 RDYPPWVQKHLBDF-UHFFFAOYSA-N 432.933 2.973 0 40 IFAB CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCN(C)CC3)c(=O)cc21 12658512 CQTWPVPJEWYXKP-IBGZPJMESA-N 439.556 2.698 0 40 IFAB biogenic COC(=O)CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12756007 AXNNKNNWQPDMMY-UHFFFAOYSA-N 430.954 2.590 0 40 IFAB C[C@@H](NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1Cl 12902291 MAKBVMRDCVTTEL-LLVKDONJSA-N 442.299 2.578 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1 12998628 CEEVTSUXZZWQGB-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB CN(C)C[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 13005313 XVUUZEGFCODWBQ-LJQANCHMSA-N 443.345 2.968 0 40 IFAB Cc1cc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2c(C)cccc12 13018554 QOPAEOQYHVEKOV-UHFFFAOYSA-N 429.567 2.950 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1 13031768 ILGQVXBKJAVQIJ-QGZVFWFLSA-N 435.977 2.665 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1cccc(Cl)c1 13039927 HKQWSTXFVOWWOD-ZDUSSCGKSA-N 425.938 2.888 0 40 IFAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccc(OC)cc1OC 13512894 ZYHVAISOMITAPI-UHFFFAOYSA-N 440.452 2.563 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)cc1 13955900 XPTZQVMAZCBFBO-UHFFFAOYSA-N 447.467 2.763 0 40 IFAB O=C(C1=NN[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12)c1ccc2ccccc2n1 18153132 RIJCPJYQLUYCDK-AEFFLSMTSA-N 438.365 2.954 0 40 IFAB O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)C1CCCCC1 19697273 ZCVXSBXLQHAJDN-UHFFFAOYSA-N 437.544 2.805 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 19710352 YNWXUCSIGCDHIL-HXUWFJFHSA-N 425.508 2.858 0 40 IFAB Cn1c(=O)c2ccc(C3CCC(CNC(=O)CCc4ccccc4)CC3)nc2n(C)c1=O 19743088 BDYUQTGLXOANMR-UHFFFAOYSA-N 434.540 2.655 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O 19758342 KUXLBSBPQQDRHY-OAHLLOKOSA-N 428.920 2.602 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)c(C)c1 20004338 JQTNEMAVLWCNNL-LEWJYISDSA-N 430.570 2.797 0 40 IFAB COc1ccc(CCN2CN=C(Nc3nc(C)c4cccc(OC)c4n3)NC2)cc1OC 20634383 AODOICOAUYBJOP-UHFFFAOYSA-N 436.516 2.795 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1F 22000817 WSRBSKXUMKSWGG-MCMMXHMISA-N 433.480 2.753 0 40 IFAB COCCn1nc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)ccc1=O 22324335 XXFMIENBIZPEBS-UHFFFAOYSA-N 443.507 2.732 0 40 IFAB NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 22509899 OUEGRJVGMKOHSH-UHFFFAOYSA-N 435.933 2.619 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 24612684 FJVFBLATUGTRCG-UHFFFAOYSA-N 434.533 2.735 0 40 IFAB biogenic O=C(Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1)[C@H]1CCCO1 26279103 IINRXKNIXMTECF-HSZRJFAPSA-N 435.524 2.697 0 40 IFAB FC(F)(F)c1nc(N2CCN(c3nnnn3-c3ccccc3)CC2)c2ccccc2n1 30520575 AHAYCCGCKWWZET-UHFFFAOYSA-N 426.406 2.951 0 40 IFAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 32928068 OPCBBXUSYQBZIS-AWEZNQCLSA-N 439.559 2.701 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3cccs3)c2)CC1 33000343 CYUTUSDYNBJMEZ-UHFFFAOYSA-N 442.006 3.000 0 40 IFAB Cc1oc(-c2cccs2)nc1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 48248414 PGKGMGQKIKFYOR-UHFFFAOYSA-N 431.539 2.763 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@H](c2ccccc2)C2=C1COC2=O 49402818 IPSWWEQATFCPTJ-IBGZPJMESA-N 427.844 2.865 0 40 IFAB CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc1 57997226 RCXSGLSTZNBRJI-UHFFFAOYSA-N 441.912 2.952 0 40 IFAB COc1cc(C(=O)OCC(=O)NCc2ccccc2Br)cc(OC)c1OC 67197549 BYRKNTRPUOZYBR-UHFFFAOYSA-N 438.274 2.948 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288835 MRAFXIBVGSARBY-QFIPXVFZSA-N 435.480 2.506 0 40 IFAB CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 97379372 YSYCZKXMHKCAJO-STQMWFEESA-N 442.891 2.532 0 40 IFAB CCOc1ccc(N(CCCC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 113961860 USTHDBMQROXQPI-UHFFFAOYSA-N 445.585 2.980 0 40 IFAB CC(=O)O[C@H]1O[C@@]23CC[C@@]4(O)C[C@@H](O)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13 119192709 RXXZRNNOAJTUSW-UBDPLUTDSA-N 446.540 2.626 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c1 139142789 RMFAAKBHTNGLNE-INIZCTEOSA-N 426.469 2.855 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)n2)c1 219968088 QCCJHWXTAYUGGM-UHFFFAOYSA-N 440.525 2.901 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 220009820 LAYFPFFPDUCLPU-JOCHJYFZSA-N 427.570 2.739 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1 220070835 UKSLOOYKLNKTSO-OAHLLOKOSA-N 438.571 2.767 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222658702 APBHQOAJXVMINK-MRXNPFEDSA-N 438.521 2.964 0 40 IFAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 224992894 WEUNRHKEAKQOSQ-SFHVURJKSA-N 431.558 2.933 0 40 IFAB COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 409191107 ZUMLRJMGPGCCEJ-FDFHNCONSA-N 426.472 2.881 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)C[C@H](c1ccsc1)n1cccc1)[C@H](C(N)=O)C2 524731574 CLTIPNWMUFLWQO-MOPGFXCFSA-N 439.537 2.985 0 40 IFAB biogenic NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCOCC1 585261790 NABHJXSMMLVFAB-NRFANRHFSA-N 441.959 2.587 0 40 IFAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1CCN(c2ccc3nnnn3n2)CC1 641851158 VDQFXTYORAUHCV-UHFFFAOYSA-N 439.483 2.918 0 40 IFAB c1cnc(N2CCC(OC[C@@H]3CCOC3)CC2)c(N2CCC(OC[C@H]3CCOC3)CC2)n1 680962679 PUMIKNCOWFZIEL-BGYRXZFFSA-N 446.592 2.520 0 40 IFAB COc1cccc(S(=O)(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)c2cc(C)nn23)c1 1772596526 POKSOMMHDKQHFF-UHFFFAOYSA-N 444.557 2.527 0 40 IFAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)n12 4250137 BAXZEILBWMDMIP-UHFFFAOYSA-N 425.558 2.944 0 40 IFAB COCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc2c1=O 6551738 DACDWRDRZWTTNX-UHFFFAOYSA-N 427.482 2.560 0 40 IFAB O=C(COC(=O)c1cccnc1SCC(=O)NCc1ccccc1)NCc1ccccc1 8828848 ULUYBUXGTCJWJC-UHFFFAOYSA-N 449.532 2.963 0 40 IFAB O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 8900341 XJSDZRFTKYCYEF-UHFFFAOYSA-N 439.493 2.974 0 40 IFAB Cc1cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 9174236 HBMGXPJNYFZMDD-HNNXBMFYSA-N 433.917 2.711 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1nccs1 9255618 SCJCPJQRVSQBFS-HNNXBMFYSA-N 427.482 2.918 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 9632131 DGFWNQTURIHIDN-HNNXBMFYSA-N 445.566 2.820 0 40 IFAB COCCCN(C(=O)c1oc2c(F)cccc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9740915 ZTNAVVNTGRUQLC-UHFFFAOYSA-N 446.479 2.652 0 40 IFAB CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 9827450 VJUBCAMJWVDYRI-UHFFFAOYSA-N 430.452 2.650 0 40 IFAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10499724 QTPQTACNWHLZFN-CQSZACIVSA-N 426.498 2.997 0 40 IFAB Cc1ccccc1Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Cl)cc3)nnc12 10968660 FSQHTTBLCDAZOI-UHFFFAOYSA-N 434.887 2.759 0 40 IFAB COc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2cccnc2)cc1 11696080 GWLIWQNYSUPSIL-UHFFFAOYSA-N 425.510 2.644 0 40 IFAB CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(C)(=O)=O 12414099 KXFGNOHTZGVXOK-UHFFFAOYSA-N 427.482 2.858 0 40 IFAB COC(=O)C1=C(CNCCc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccccc1C 12463039 UYJQNANPEPPCGH-QFIPXVFZSA-N 439.512 2.626 0 40 IFAB CN(Cc1ccccc1N1CCOCC1)C(=O)C[C@@H](NC(N)=O)c1ccccc1Cl 12728572 XNQRLPSSNGMGIH-LJQANCHMSA-N 430.936 2.935 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)CC1 13011896 QNKLRIHONFGDOR-UHFFFAOYSA-N 436.555 2.730 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)c1C 13672415 KRWSWQIFHVNYHI-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(C=O)CC1 13945773 QJXDMLNEZFTLQA-DEOSSOPVSA-N 430.508 2.712 0 40 IFAB C[C@@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1S(=O)(=O)/C=C/c1ccccc1 14101788 AKSWGYWXONXRSV-CTJLOYRMSA-N 432.567 2.994 0 40 IFAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCCc1ccc2c(c1)OCCO2 18073639 SOWMSTDOCWFJEZ-UHFFFAOYSA-N 439.537 2.857 0 40 IFAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1nc2ccccc2c(=O)[nH]1 18254749 RAFGDIMFLQLNQK-UHFFFAOYSA-N 438.488 2.896 0 40 IFAB O=S(=O)(N1CCCC1)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(CC1CCCCC1)C2 19014814 KOAIUAZTHYOVGR-FQEVSTJZSA-N 449.621 2.598 0 40 IFAB O=C(CCc1nc(-c2ccncc2)no1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347235 GACSBYNOJUXEEG-UHFFFAOYSA-N 430.468 2.707 0 40 IFAB Nc1nc2c(cc1C(=O)NCc1ccccn1)CN(C(=O)c1nccc3ccccc13)CC2 19701076 GRJFBOAGDSHTCY-UHFFFAOYSA-N 438.491 2.736 0 40 IFAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)CCc4nc(CC)no4)CC3)nc21 19739316 XOIVLIQACOZHLA-UHFFFAOYSA-N 440.548 2.758 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862464 LYPKXYUWZZZPHH-MRXNPFEDSA-N 434.489 2.793 0 40 IFAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 20021455 BBNFOHCNVZHPHZ-CYBMUJFWSA-N 441.347 2.956 0 40 IFAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 21011275 XNIIOHPXOVBPPR-UHFFFAOYSA-N 444.542 2.604 0 40 IFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2cccc(Cl)c2)CC1 23639713 HVISVJVDPYLLPH-UHFFFAOYSA-N 432.952 2.629 0 40 IFAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C 23866812 VKWWBVBBIPUAPK-AREMUKBSSA-N 446.551 2.611 0 40 IFAB O=C(COc1ccccc1CNC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCCC1 25262320 QNVFYIIRTVSKAC-QHCPKHFHSA-N 441.547 2.990 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1 26741197 XHUSYDVOGXLXIE-SFHVURJKSA-N 443.529 2.768 0 40 IFAB Cc1cc(C(=O)COC(=O)CCc2ccc3c(c2)OCO3)c(C)n1[C@H]1CCS(=O)(=O)C1 27023869 IQEVFMXPBWDXJT-KRWDZBQOSA-N 447.509 2.552 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 29151328 JBZINPJXWPODLS-AWEZNQCLSA-N 440.928 2.598 0 40 IFAB COC(=O)c1sccc1NC(=O)CSc1nncn1-c1cccc(NC(C)=O)c1 32778442 ORFLVXLLJITPNP-UHFFFAOYSA-N 431.499 2.805 0 40 IFAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)NC1CCCCC1 33634584 JLCKZADZGGQPMF-UHFFFAOYSA-N 431.562 2.778 0 40 IFAB COCC(=O)N1CCCc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc21 38699665 VKLSMYWPVNBMRF-INIZCTEOSA-N 425.460 2.743 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1 40309367 LILIOJMUKFICJX-HXUWFJFHSA-N 437.456 2.788 0 40 IFAB biogenic O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCC1CCC(C(=O)O)CC1 61720182 HVOCIDAILGPVJB-UHFFFAOYSA-N 448.317 2.680 0 40 IFAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)NCc3ccc(C)cc3)c(=O)n2n1 62639796 AUALYGUUPVWWCA-UHFFFAOYSA-N 449.511 2.639 0 40 IFAB CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 64591363 MFKSDBFBCNSAII-UHFFFAOYSA-N 432.436 2.929 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988507 FEUDDXWTVOPGMP-LJQANCHMSA-N 432.498 2.728 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc1 65196621 RXDAUCVVKXCULT-UHFFFAOYSA-N 431.452 2.682 0 40 IFAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1C 67322915 SZTPZYQWUWYLFH-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)CCCn2cncn2)c2ccccc2)c(C)c1 72297595 CWKMOADSNOSSTL-HXUWFJFHSA-N 441.557 2.511 0 40 IFAB O=S(=O)(NCCNc1cc(-n2cccc2)ncn1)c1ccc(OC(F)(F)F)cc1 90607845 FNFKRWYFRWRYJV-UHFFFAOYSA-N 427.408 2.556 0 40 IFAB O=C(Nc1cnccc1N1CCOCC1)[C@H]1CCN(c2ccccc2Br)C1=O 96011100 HSQYLAVLKUUAEM-CQSZACIVSA-N 445.317 2.672 0 40 IFAB CCCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242283 PQYWHPLTKXTCRD-FQEVSTJZSA-N 447.645 2.802 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)c2c1 96345363 SDVVNOKDLFIIRX-CQSZACIVSA-N 435.459 2.904 0 40 IFAB c1cncc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 96900874 HOERYMIIMXODNO-QHCPKHFHSA-N 447.543 2.819 0 40 IFAB Cc1nc2cc(C3CCN(C(=O)CCn4ncc5ccccc5c4=O)CC3)nn2c(O)c1C 100137376 QRNRMCCJFARNLI-UHFFFAOYSA-N 446.511 2.558 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 218792952 RNSNGSNSBQBBQA-OAQYLSRUSA-N 432.542 2.751 0 40 IFAB C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220449167 SVYDSWXHUTVRRN-AWEZNQCLSA-N 441.475 2.607 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223027964 CSENTZAGPHLWTM-HXUWFJFHSA-N 445.585 2.623 0 40 IFAB CCCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 225049699 XLXGSNNDLPINMT-UHFFFAOYSA-N 449.554 2.794 0 40 IFAB COCCN1CC[C@]2(CN(Cc3ccc4c(c3)OCO4)C[C@H]2c2cn(C(C)C)cn2)C1=O 306144417 ZEPCGEWVVUXWIX-YADARESESA-N 440.544 2.657 0 40 IFAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccc5c4oc(=O)n5C)CC3)cc2NC1=O 534559476 KYIVCYOKQWWNQM-ZDUSSCGKSA-N 449.463 2.586 0 40 IFAB O=C(c1cncc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 572864126 UZXDRZQGPJXFMB-RRJCBXKSSA-N 437.540 2.649 0 40 IFAB COc1cc(=O)n(C)cc1C(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1776001284 JQWRVHTXVAPBHY-CYBMUJFWSA-N 425.407 2.739 0 40 IFAB CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 3315594 SSIVWCQGUCMFNK-UHFFFAOYSA-N 436.917 2.944 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3402882 HGIWXGONQKGPAK-UHFFFAOYSA-N 434.495 2.929 0 40 IFAB COCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)Nc3cccc(F)c3)c(=O)n1C2 4236192 DVRYYUMCDXRMJQ-LSDHHAIUSA-N 428.464 2.614 0 40 IFAB biogenic,in-vitro CC(=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6073794 YDIZVMJXLOHKNT-GOSISDBHSA-N 425.466 2.921 0 40 IFAB CCOCCCNC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)CNC(C)=O 8690871 ABSMQHZJSTUMNZ-JOCHJYFZSA-N 445.585 2.805 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)N2CCCC2)cc1 8895467 PVALIBQTMCQQLG-QFIPXVFZSA-N 443.569 2.802 0 40 IFAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 9315996 BMAZJNTWKPKPNC-HXUWFJFHSA-N 442.537 2.586 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCC(C)CC1 10279996 QGMLIWGBAUQDTF-UHFFFAOYSA-N 437.606 2.722 0 40 IFAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCC1 11243573 IAGIIZPOWRMOIK-AWEZNQCLSA-N 442.965 2.731 0 40 IFAB COc1cc(C)ccc1OCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 12182066 QMYKEEPODMCSKA-HRCADAONSA-N 435.475 2.903 0 40 IFAB CCc1ccc(Cl)c(CC)c1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12733077 OIROORXWODPTAW-CYBMUJFWSA-N 425.938 2.569 0 40 IFAB COc1ccc(OCc2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2C)cc1 12762797 XTVHLTKNCUAFRF-UHFFFAOYSA-N 440.481 2.709 0 40 IFAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)COC[C@H]4CCCCO4)C3)cc2n1 13225642 QWFQWPWHNDAGTJ-LSDHHAIUSA-N 426.439 2.958 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 13673899 FYJJUKWRHKVPFD-UHFFFAOYSA-N 441.303 2.640 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1F 15505503 ZZETTZFBMVEXLS-UHFFFAOYSA-N 435.521 2.945 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1 15929728 LWPQKSVUNMELIH-UHFFFAOYSA-N 425.510 2.699 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Cc1noc3ccccc13)n2CCC 18965500 DMLBEDVMCZTVGY-UHFFFAOYSA-N 439.472 2.524 0 40 IFAB NC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)Cc2cccnc2)CCO1 19338444 BFVRLNLZMUNGDT-VWLOTQADSA-N 433.483 2.756 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[C@@H]4CCCO4)nc32)c1 19698618 PDDGZTQCDWEQIZ-IBGZPJMESA-N 438.528 2.801 0 40 IFAB Cc1nc([C@H]2CCCN(CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741273 SBGXXSGPXRGZCG-FQEVSTJZSA-N 435.572 2.752 0 40 IFAB COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)c3cnccn3)CC2)nc1C 19766555 DZQVCEADUZVODE-UHFFFAOYSA-N 446.511 2.533 0 40 IFAB COCCCN1CNC2=N[C@@H](c3ccc(OC)c(OC)c3)n3c(nc4ccccc43)N2C1 20101733 JIUQYLBUQROBGU-OAQYLSRUSA-N 436.516 2.633 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@H]3c1ccccc1F 20308405 FAIUXFOEEHBPEY-NRFANRHFSA-N 438.455 2.818 0 40 IFAB Cc1ccc(Cl)cc1N1C(=O)/C(=C/N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 20533172 WXEOBIUYQUXUGG-CLXYIWAZSA-N 430.913 2.953 0 40 IFAB Cc1cc2nc(CSc3nnc(NC(=O)COc4ccccc4)s3)cc(=O)n2o1 21888503 MSCBSLATFZNHHK-UHFFFAOYSA-N 429.483 2.757 0 40 IFAB COCCN(CC(=O)Nc1cccc(C)c1C)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 24832454 AYTQPZLKIDWZQG-OAQYLSRUSA-N 439.512 2.531 0 40 IFAB Cc1c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccc(Cl)cc1 25775220 BTUTUEKVAKMMDM-UHFFFAOYSA-N 435.889 2.717 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1C 27142053 HDRGSUOPWIRTOO-UHFFFAOYSA-N 427.457 2.638 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 30872508 VZALIBRELVYKDC-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 31699985 GSBREPFDOXFXCF-AWEZNQCLSA-N 425.348 2.990 0 40 IFAB COc1ccc(OC)c2c1CN(CN1C(=O)C(=O)c3c(Br)cccc31)C[C@@H]2O 31783590 FQXRYNLEQYYZRT-AWEZNQCLSA-N 447.285 2.502 0 40 IFAB CCCn1c(CNc2ccc(-n3nccn3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 32927158 BLYDXUQJFRFDBT-UHFFFAOYSA-N 439.545 2.889 0 40 IFAB CS(=O)(=O)Nc1cccc(NC(=O)C2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 38489481 KAFGLSSBLIVEGP-UHFFFAOYSA-N 427.530 2.785 0 40 IFAB O=C(CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2)NCc1ccco1 67291465 BVXUTVAFFKAPEA-UHFFFAOYSA-N 428.489 2.881 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC1)O2 72328016 HYQQCECCFQQJBM-VXQVSLNISA-N 441.572 2.762 0 40 IFAB COc1ccc(-c2cccc(C[C@H]3C(=O)NCCN3C(=O)Cn3cc(C(C)C)nn3)c2)cc1 72351433 UNZZFIJEDBLAID-QHCPKHFHSA-N 447.539 2.647 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C1)O2 72396515 ZCONQPPOJYBVPW-YWZLYKJASA-N 435.484 2.636 0 40 IFAB Cc1nc2ccccc2n(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1=O 95943754 XZWOONJBYRWPRG-UHFFFAOYSA-N 429.395 2.841 0 40 IFAB CN(CCN1CCCC1)CC(C)(C)CN(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 95980376 ZIUXRUCPYVWFRF-UHFFFAOYSA-N 441.620 2.758 0 40 IFAB CCn1cc(C(=O)N2CCC(c3cc4nc(C)cc(O)n4n3)CC2)c(=O)c2ccc(C)nc21 100723860 UCAGCTRIEADOQA-UHFFFAOYSA-N 446.511 2.801 0 40 IFAB C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@H]1C[C@H]2CC[C@H]1C2 104657662 VPAVPLGMHYZZAC-NBOOPKSLSA-N 432.590 2.697 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220224085 MBEBFLBNWLBBDV-OAHLLOKOSA-N 436.530 2.526 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225517661 BGZGYNDVWXNDOS-RBUKOAKNSA-N 446.569 2.988 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1ccsc1 245225634 ZTJMUDXYRNBCGF-UZLBHIALSA-N 449.598 2.933 0 40 IFAB O=C1CNC(=O)N1C1CCN(S(=O)(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1 253406890 VFANNHAJGWEDQT-UHFFFAOYSA-N 433.917 2.712 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 257229624 FYUWFWRIGNWBFK-IBGZPJMESA-N 436.537 2.804 0 40 IFAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)CO2 257334208 YFANVUMXXUDAPB-DEOSSOPVSA-N 431.496 2.696 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 260826466 BDXMRPJOPOUUOZ-BEFAXECRSA-N 448.541 2.888 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OC(C)C 408589222 DHPRWLHZNJEKPR-WUXMJOGZSA-N 427.251 2.612 0 40 IFAB O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 575608573 VHMUIDGOQMWIQI-UHFFFAOYSA-N 444.451 2.982 0 40 IFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)c1csc2ccccc12 575622144 WNRQEPPSJOXKMB-KRWDZBQOSA-N 431.539 2.927 0 40 IFAB COc1ccc(C(=O)N2CCC(c3nc(=O)c4nnn(Cc5ccccc5)c4[nH]3)CC2)cc1 1325145 LXZNAHNFVWVKKN-UHFFFAOYSA-N 444.495 2.591 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8298242 FATZKUQQYDHMNU-ZNLUXHQJSA-N 447.539 2.686 0 40 IFAB biogenic,in-vitro CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(OC)cc1 8590827 IIZQYSWBIPXEKD-GOSISDBHSA-N 443.891 2.813 0 40 IFAB CO[C@@H]1OC2=CC[C@H]3C(=O)NC(=O)[C@@H]3[C@H]2[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 8655854 CWAWZNHFJPDBBH-PQCLGQGLSA-N 449.503 2.953 0 40 IFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 8691997 BTFOGISTOKSZMJ-UHFFFAOYSA-N 426.469 2.667 0 40 IFAB CCc1ccc(-c2n[nH]c(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)n2)cc1 8899579 UQVQHOZFZWEYBA-UHFFFAOYSA-N 442.545 2.658 0 40 IFAB CN(CC(=O)NCc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc2ccccc2c1 8972115 GXEWUXZKGYFVCB-UHFFFAOYSA-N 436.493 2.827 0 40 IFAB COC(=O)COc1c(Cl)cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 9096114 IUKVXOJSVKRJDB-UHFFFAOYSA-N 436.852 2.555 0 40 IFAB O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCO 9144575 KHODDEGIHKMMCV-UHFFFAOYSA-N 449.331 2.822 0 40 IFAB Cc1c(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)c(=O)n(-c2ccccc2)n1C 9215963 AOPXOENYAZRWIW-UHFFFAOYSA-N 448.523 2.643 0 40 IFAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCc3ccccc3C2)n1C 9263626 UUJNDZYYQAOLJX-UHFFFAOYSA-N 435.553 2.982 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)CC1 9403492 PKEIANPWNGPIMF-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB Cc1cc(C)cc(OCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9438654 BBPMAWLOMTYSBF-UHFFFAOYSA-N 446.525 2.649 0 40 IFAB COC(=O)C1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)CC1 9510518 NYNZMWMXSNMJGT-UHFFFAOYSA-N 444.491 2.723 0 40 IFAB COc1cc(CCNC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC(F)F 10029697 GWIBCPJTJZYIRT-UHFFFAOYSA-N 438.427 2.960 0 40 IFAB COc1cc(Br)c(CC(=O)N2CCN(c3nccs3)CC2)cc1OC 10270248 FGIHOJXWEHJIIG-UHFFFAOYSA-N 426.336 2.814 0 40 IFAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 10401464 RXISGEFZVGPMSP-MRXNPFEDSA-N 430.526 2.900 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1C 10443419 HVTKUBYQXWFRDS-UHFFFAOYSA-N 426.441 2.855 0 40 IFAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12129573 VGKSTKUHQMIBBV-AWEZNQCLSA-N 445.545 2.747 0 40 IFAB CCOC(=O)c1c(C)oc2nc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)nc(N)c12 12557820 NQSGMAJIKIDIAQ-UHFFFAOYSA-N 446.504 2.618 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 12753056 LBUJKMKGMHAFAN-UHFFFAOYSA-N 441.475 2.823 0 40 IFAB CCN(CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1cccc(OC)c1 12821404 ZOSKAXSTYZCHMJ-IBGZPJMESA-N 439.965 2.809 0 40 IFAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12931801 QLMBLTKTSKNRJM-UHFFFAOYSA-N 430.526 2.517 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c(C)c1 13009363 AAAYQPHVTXLUKR-UHFFFAOYSA-N 440.573 2.715 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nn1-c1ccccc1 13114257 AEYYDSWJNIDWHS-UHFFFAOYSA-N 438.509 2.578 0 40 IFAB CCn1c(SC)nnc1[C@@H]1CCCN(CC(=O)Nc2ccccc2N2CCOCC2)C1 13565191 ODZQRPUZDCIDIV-QGZVFWFLSA-N 444.605 2.675 0 40 IFAB COc1cc(C(=S)N2CCN(c3nsc4ccccc34)CC2)ccc1OCC(N)=O 13722754 JKBQIPOURCXQBC-UHFFFAOYSA-N 442.566 2.667 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 15306820 DSXRSUTWANUCMC-UHFFFAOYSA-N 432.542 2.729 0 40 IFAB O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)Nc1ccc(Br)cc1 15884303 CDMNDAJPUBQMEO-UHFFFAOYSA-N 427.258 2.897 0 40 IFAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(OCc2ccccc2)cc1 15938292 LNRRHEGBTGNKRX-XARGGIHNSA-N 426.465 2.651 0 40 IFAB O=C(c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)N1CCC(Cc2ccccc2)CC1 16850968 LYINAPKVGCJVAM-IBGZPJMESA-N 427.570 2.826 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4cccs4)nn3c(O)c2C1 19017944 CUEFPHZIWDTLKH-LJQANCHMSA-N 439.541 2.697 0 40 IFAB NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CCN(Cc4ccc(F)c(F)c4)CC3)no2)C1 19292859 UFWIDMASCPWUSJ-INIZCTEOSA-N 432.471 2.670 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cnccn3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19739164 IWDSDRLCXLGTAG-KRWDZBQOSA-N 446.486 2.823 0 40 IFAB O=C(N[C@@H]1Cc2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)cc2C1)C1CCCC1 19749594 VIOJERBCKUZRKD-OAQYLSRUSA-N 445.629 2.709 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 20716142 WHFQASMQWTYOSR-QGZVFWFLSA-N 435.440 2.652 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 21705629 GKZLOBYFIZQDBQ-IBGZPJMESA-N 431.510 2.994 0 40 IFAB NS(=O)(=O)c1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 27344174 BFZYXOYBNUWXQK-UHFFFAOYSA-N 429.464 2.554 0 40 IFAB CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)c3ccncc3)C=C2C)CC1 30879852 MPKCJGAUPBDRRF-VABKMULXSA-N 440.588 2.747 0 40 IFAB biogenic,in-vitro COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c1 31066107 ORBSFERZXMIOHO-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2F)CC1 31351909 RZVPUFOSRIBJNW-UHFFFAOYSA-N 430.451 2.947 0 40 IFAB CC(=O)N[C@H]1[C@@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 35736505 QPPZFMUEXZZDBD-CRLGVJNESA-N 435.476 2.923 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccc(C)cc12 35877606 YSPQCOHYEDVYBI-IUMUCNKYSA-N 429.904 2.802 0 40 IFAB biogenic O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 40104500 RYTGADQRTKMXAL-QFBILLFUSA-N 444.557 2.859 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2cc(-c3nnco3)ccc2=O)sc2c1CC[C@H](C)C2 40139003 HWJKIZRGEBRLNE-LBPRGKRZSA-N 442.497 2.900 0 40 IFAB COc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)cc1 41089858 WFWZIYBCMMXHGH-UHFFFAOYSA-N 436.493 2.830 0 40 IFAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 49406259 SAZIRPWHTXBEAT-UHFFFAOYSA-N 439.903 2.964 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(Cl)c4)ncn3n2)cc1 51316956 AMTJVDWCJHJIKA-UHFFFAOYSA-N 437.887 2.927 0 40 IFAB Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)c2ccccc2n1 56998005 BFKABNWKSBJUAH-UHFFFAOYSA-N 435.503 2.559 0 40 IFAB O=C(CN1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2)NC1CCCC1 67317622 ZGEYJFFMPNVVBA-UHFFFAOYSA-N 426.439 2.718 0 40 IFAB O=c1occ(CN2CCSCC2)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 79476323 NQIGFFZVMQRCAI-QPJJXVBHSA-N 441.597 2.725 0 40 IFAB Cc1cc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)ccc1S(N)(=O)=O 89591280 SVEXLVDBMAKQEN-INIZCTEOSA-N 448.545 2.856 0 40 IFAB COc1ccc(S(=O)(=O)NCCN[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 95995542 KCPRRVLWHNIZOH-SJORKVTESA-N 441.594 2.599 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)CC1 96119684 APNIMYAISFTEAB-UHFFFAOYSA-N 430.486 2.531 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 219699469 MAWALKVBWDULQS-UHFFFAOYSA-N 448.932 2.978 0 40 IFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 222678191 VNEUZUCOJMUZPH-UHFFFAOYSA-N 426.441 2.921 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)COc1ccccc1C 223607767 XWGJNXBEVFEPBT-KRWDZBQOSA-N 434.558 2.770 0 40 IFAB CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 223612372 SWDMESIUEWETNB-UHFFFAOYSA-N 435.527 2.742 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247716892 NWANDGFJGLFONL-TVFCKZIOSA-N 428.275 2.994 0 40 IFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C[C@H]4CCS(=O)(=O)C4)C3)cc2N1 247843288 RDIOIBZMMROCLX-HGTKMLMNSA-N 448.511 2.721 0 40 IFAB C[C@@H](C(=O)N1CCC[C@@H](C)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 253376124 SCCAHMZDCIOURH-ZCCHDVMBSA-N 432.952 2.851 0 40 IFAB O=C1COc2ccccc2C/C=C/C[C@@]2(CCCN(S(=O)(=O)c3cccnc3)C2)CN1 257292733 QMSWWYJKFDAPAP-OSFWOZTASA-N 441.553 2.550 0 40 IFAB CN(Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 257323787 WLVHCYNUOISJBS-QHCPKHFHSA-N 425.508 2.569 0 40 IFAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)C1 306141559 WANWOGXDFVWYGU-OAHLLOKOSA-N 448.495 2.682 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(-c2cccc(NC(C)=O)c2)n1 408637703 NIUBWQIYANRSPG-UHFFFAOYSA-N 425.470 2.948 0 40 IFAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OCC 409072571 CRYSMIMHLSUNDS-HMHNVIDESA-N 437.470 2.625 0 40 IFAB COC(=O)c1cc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(Br)cc1F 610327132 DMQZOXMWEAEDAF-ATEUNZGCSA-N 428.258 2.506 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@H](O)c3ccc(-c4ccsc4)s3)cc21 618255591 FWSVXLPRUPYZGJ-CQSZACIVSA-N 436.536 2.933 0 40 IFAB CCOC(=O)CN(c1ccccc1)[C@@H]1SC(=O)N(Cc2cccc(C(=O)O)c2)C1=O 1018918 BZWUTPPJAMQUPY-LJQANCHMSA-N 428.466 2.976 0 40 IFAB COc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12 2723904 UMFNRIRWDUHIIF-UHFFFAOYSA-N 447.538 2.887 0 40 IFAB Nn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccc(Cl)cc1 3296027 NPPCKLLYUPIDIP-UHFFFAOYSA-N 444.948 2.880 0 40 IFAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCn1nnc2ccccc2c1=O 3490282 CMTDBJKJQYPOHG-NRFANRHFSA-N 428.448 2.854 0 40 IFAB CC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)NC4CCCCC4)CO[C@H]23)c1 6131111 BNCKDQKMWTWMKT-MTQWCTHYSA-N 431.489 2.604 0 40 IFAB biogenic,in-vitro COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)c(=O)[nH]c2c1 6283283 SUAOACBKXJPNLK-XERREHJYSA-N 438.532 2.524 0 40 IFAB O=C(NCc1cccnc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 6328281 MRBIOQUKBITZBL-FQEVSTJZSA-N 429.929 2.941 0 40 IFAB CCCn1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21 6530492 XIAYUDVFTKGRBI-UHFFFAOYSA-N 435.528 2.978 0 40 IFAB CC1=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC(C)(C)C)Cc3cccs3)N2C=C1 8672092 HYYJSXYLAMXTRX-JOCHJYFZSA-N 428.558 2.855 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CSc1nncn1-c1ccccc1OC)CC2 8721366 XBRDRFBKBFSCKU-UHFFFAOYSA-N 440.525 2.970 0 40 IFAB CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 8770891 DQHBYLXPJABSJH-QGZVFWFLSA-N 443.525 2.940 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C 9053457 OCKGFROUCKXKDD-LJQANCHMSA-N 448.545 2.730 0 40 IFAB Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 9219607 NEZJYRVNGHNDPQ-UHFFFAOYSA-N 445.523 2.756 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C2CC2)cc1 9413849 NVMPDNCZRYRWKO-QHCPKHFHSA-N 425.460 2.793 0 40 IFAB COc1ccc(-c2csc(NC(=O)COC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 9442495 ABWNXQAYJZVPHF-YWZLYKJASA-N 447.538 2.754 0 40 IFAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccccc1F 9519626 FTHRZORCEDUUEV-UHFFFAOYSA-N 443.500 2.815 0 40 IFAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)Nc1ccccc1 9588158 WSLMBKLMBYLPEY-UHFFFAOYSA-N 428.466 2.862 0 40 IFAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCCn1ccnc1 9668791 DOQHREDVKYWOHQ-UHFFFAOYSA-N 432.933 2.938 0 40 IFAB CCc1ccc2c(COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)cc(=O)oc2c1 10745506 NSNCSIFCYVKSCE-PSLXWICFSA-N 426.469 2.899 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1ccccn1 11026882 HVBCAYUBLNPCSH-UHFFFAOYSA-N 431.514 2.830 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 11858296 FYSXJEUJZDBFSD-UHFFFAOYSA-N 448.444 2.881 0 40 IFAB CC(C)COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 12617230 FMVIWCTYCNCGKU-UHFFFAOYSA-N 426.542 2.749 0 40 IFAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1C(=O)NC1CCCC1 12692183 SDUUOMPJCUMRHA-UHFFFAOYSA-N 440.569 2.817 0 40 IFAB CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12737273 BQJMLYJMKPUBBA-UHFFFAOYSA-N 428.876 2.717 0 40 IFAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12866841 LAZIENUAHAUXGN-KGLIPLIRSA-N 430.455 2.988 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1OCC 12876684 KVSZQISSSRTWJA-HJPURHCSSA-N 431.533 2.643 0 40 IFAB COC(=O)c1sc(NC(=O)CSc2nnc3n2CCCCC3)c(C(=O)OC)c1C 13141535 RYXGCJLCZMECLV-UHFFFAOYSA-N 438.531 2.678 0 40 IFAB CCC[C@@H](c1nnnn1CCOC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13499510 BCPDIBANXRLROL-NRFANRHFSA-N 442.564 2.504 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)CC1 13675428 OPFSMZNYYZWMPF-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB COc1cccc(-c2nnn(CC(=O)N3CCN(Cc4cccc5ccccc45)CC3)n2)c1 14116530 QKVZMKXAISJNMO-UHFFFAOYSA-N 442.523 2.846 0 40 IFAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)C1 15520276 RHYNHFPLNYMDFH-INIZCTEOSA-N 436.555 2.893 0 40 IFAB COCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 17097389 OFUIZLPMNUJLRG-UHFFFAOYSA-N 431.341 2.947 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NCc1ccccc1Cl 17189721 HMAMYNVEKOMJBY-UHFFFAOYSA-N 434.883 2.576 0 40 IFAB Cc1nnsc1C(=O)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702235 RNAXSVHGLHFNJS-ZDUSSCGKSA-N 443.554 2.558 0 40 IFAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(OC)c1OC 20568897 GIJXYOBFDBVRFW-LJQANCHMSA-N 427.526 2.822 0 40 IFAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)o2)cc1 21625789 KXXXCDDBVJBVGT-RYUDHWBXSA-N 436.515 2.959 0 40 IFAB CCCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)CC(=O)Nc1ccc(F)c(F)c1F 21920359 XGZOSYYOTFDJPF-UHFFFAOYSA-N 435.406 2.563 0 40 IFAB Cc1ccc(C(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cn1 22413556 OXHMSCKEWRQDLF-UHFFFAOYSA-N 441.491 2.718 0 40 IFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 22525534 KPVXOJCKDJSQRO-QGZVFWFLSA-N 432.542 2.919 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 22780828 NDJSQJYOFFRUPK-SJORKVTESA-N 429.590 2.818 0 40 IFAB COC(=O)c1sccc1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC 24772227 AOLRHACFCXFPHT-UHFFFAOYSA-N 425.894 2.706 0 40 IFAB Cc1ccc(-c2csc3ncn(CC(=O)NCC(C)(C)N4CCOCC4)c(=O)c23)s1 30027815 QKWWLSHROSMUFZ-UHFFFAOYSA-N 446.598 2.722 0 40 IFAB COc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)cc(OC)c1 32899858 KEISCBVRFQJQQQ-CQSZACIVSA-N 426.425 2.691 0 40 IFAB COc1ccc(Cn2c(=O)c3c(nc(-n4nc(C)c(C)c4C)n3C(C)C)n(C)c2=O)cc1 38486294 MIVVIPVEEOZYMM-UHFFFAOYSA-N 436.516 2.645 0 40 IFAB O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 38695710 HEULHYDDIWNFAW-CQSZACIVSA-N 433.917 2.872 0 40 IFAB CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)nc1C 40129551 QAMNGYQCOXAOSL-UHFFFAOYSA-N 427.504 2.566 0 40 IFAB C[C@@]12CCC(=O)N1[C@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 40134439 UPCCZQSAXWKURL-KBXCAEBGSA-N 428.480 2.639 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1F 44842961 UVNYSYALEYJXKU-UHFFFAOYSA-N 437.474 2.831 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1F 48355326 FCZINFSNMUEQMK-UHFFFAOYSA-N 426.217 2.729 0 40 IFAB COc1ccc(-c2noc(Cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3=O)n2)cc1OC 49407722 YJZWUIPQHGLITM-UHFFFAOYSA-N 434.452 2.732 0 40 IFAB CCCCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1 58170873 PWWXWLXKEPTERH-KRWDZBQOSA-N 431.643 2.918 0 40 IFAB COC(=O)c1cccc(C)c1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 59778664 OSZVVXICAUZTBA-UHFFFAOYSA-N 430.404 2.875 0 40 IFAB COc1ccccc1-n1ccn2c(SCC(=O)Nc3ccc(F)cc3F)nnc2c1=O 64593077 GNZDJNAERBSTPI-UHFFFAOYSA-N 443.435 2.898 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCCCO2)Cc1ccc(Cl)cc1 64987338 WZXNYSCTWHIJID-UHFFFAOYSA-N 438.933 2.579 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1cc[nH]n1 79060804 PUTAVHKGOTZWHH-LBPRGKRZSA-N 445.339 2.513 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 80337812 QESUCVCNEYNDKK-QGZVFWFLSA-N 426.517 2.558 0 40 IFAB COC(=O)c1nc(NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)sc1CC(C)C 95476236 RMENTEGACFCDIE-UHFFFAOYSA-N 432.477 2.924 0 40 IFAB COC(=O)C1(NC(=O)c2csc(-c3ncccn3)n2)CCN(Cc2ccccc2)CC1 95995439 LFTFGJQEPBBYAI-UHFFFAOYSA-N 437.525 2.538 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccccc1C 96521144 QPKKDMRXXNLTRS-QWRGUYRKSA-N 433.105 2.947 0 40 IFAB Cc1cnccc1CN1CCC(c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)CC1 100232619 GIBBCCAMISUSNK-UHFFFAOYSA-N 446.555 2.813 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1)C1CCCC1 100819995 ALWBCCCFWXWZJW-WMZOPIPTSA-N 441.553 2.785 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(F)c4)[C@H]3C2=O)cc1Cl 101168843 FUCVEDWQHNSZPN-ZWKOTPCHSA-N 445.838 2.728 0 40 IFAB COC(=O)C1CCN(C(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)CC1 219182403 BMPVEKSVTONOJJ-UHFFFAOYSA-N 440.521 2.637 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 223576767 BAAOBXHGRZXJQU-UHFFFAOYSA-N 433.486 2.973 0 40 IFAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224807880 CCCIZDDJTUIPDT-HNNXBMFYSA-N 438.521 2.955 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(OC)c(OC)c1 225160806 FRKODBHJMXXYPB-GOSISDBHSA-N 436.530 2.573 0 40 IFAB Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(N3C(=O)COC3=O)CC2)cc1 253406553 USCBTZLYXPNBII-UHFFFAOYSA-N 430.482 2.919 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C(C)=O)cc1 257231155 GFOMTSRJPNSWFX-DEOSSOPVSA-N 437.540 2.573 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 260593110 WHHXXAKTJHCHAA-SJORKVTESA-N 434.558 2.996 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)c(OC)c1 408671388 XZMSJMSLVVUJNM-INIZCTEOSA-N 426.469 2.855 0 40 IFAB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NCCSCc1ccco1 408920642 LMOHIMYSBGKEFO-UHFFFAOYSA-N 431.539 2.920 0 40 IFAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2cc(OC)c(OC)cc2OC)c1O 1547212354 QOWRWUCKQZHYEF-MRXNPFEDSA-N 449.500 2.620 0 40 IFAB Cc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)s1 1848353544 RVGHCSCVFOBWEE-QFIPXVFZSA-N 440.613 2.772 0 40 IFAB COc1ccc(CC(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@H]3C2)cc1OC 1888869517 LGBTWVSTDFWEGT-HUUCEWRRSA-N 436.434 2.650 0 40 IFAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 917525 ONLSCPIDRJIZEV-UHFFFAOYSA-N 427.482 2.923 0 40 IFAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 9095829 OAPVJDDZOXFCSI-UHFFFAOYSA-N 439.497 2.734 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccco1 9447170 OJUNXWCXLGPULU-VVSIHKJWSA-N 427.526 2.697 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 9666310 YHVHFCRSBCNDMS-UHFFFAOYSA-N 433.482 2.843 0 40 IFAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9714040 LVMKYABAQDPPJF-LBPRGKRZSA-N 435.575 2.860 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 11997538 YJRCJZVPBSCVNP-UHFFFAOYSA-N 435.310 2.861 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)NC1CCN(C(C)C)CC1)NC2=O 12185386 OPWLUVAEBFKVQG-KQOYFTNGSA-N 441.572 2.939 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 12632029 HEBNNMPMDAKLDT-UHFFFAOYSA-N 445.360 2.666 0 40 IFAB CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccccc2)C1 12763807 YJHRHTADPFEIBD-HSZRJFAPSA-N 441.597 2.919 0 40 IFAB O=C(CNC(=O)CNC(=O)c1ccco1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12764215 AYSGLSBQZDLGQQ-JOABDTNPSA-N 443.503 2.539 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1C 12893959 QYWDZMVWNNBQOV-HNNXBMFYSA-N 432.498 2.802 0 40 IFAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 12991222 WQWZDSBOCTYZAO-MAUKXSAKSA-N 444.981 2.833 0 40 IFAB Cc1nc(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c2c(C)c(C)sc2n1 16816314 JBDUFLFELMOZPP-UHFFFAOYSA-N 448.595 2.945 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NCc3ccco3)c12 16993079 IQTSDKXJDIJVAA-CQSZACIVSA-N 440.481 2.882 0 40 IFAB COc1ccc(OCCN2CCN(C(=O)CSc3ccc(NC(C)=O)cc3)CC2)cc1 18111998 MJGAVTHTNQIJAH-UHFFFAOYSA-N 443.569 2.969 0 40 IFAB COc1cc(C)ccc1CN1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19133891 NJYDQXKRYYWSNB-IBGZPJMESA-N 436.556 2.761 0 40 IFAB C[C@@H](CNc1nc2c(c(=O)[nH]1)CCCC2)NC(=O)c1cccc2nc(C(F)(F)F)[nH]c12 19574172 KILIBFFTEBTPHJ-JTQLQIEISA-N 434.422 2.774 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)CN3CCCCC3)CCO2)cc1 19692820 FSYAYVKXMSJDDR-NRFANRHFSA-N 439.560 2.604 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCC(c3nc(C)c4c(n3)N(C)CCC4)CC2)c(C)n1 19706697 NNMSVPDEZONDKL-UHFFFAOYSA-N 432.594 2.651 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1N1CCCC1=O 20040360 FGLSBWZLPFSTFB-UHFFFAOYSA-N 443.569 2.950 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(C)CC2)CC1 20041397 KFXWLAHNPDJQMU-UHFFFAOYSA-N 435.634 2.775 0 40 IFAB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533110 DMLREBDTGGCJDM-UHFFFAOYSA-N 447.465 2.826 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C(=O)OC)cc1 22252827 XAJQMLMVARFNNK-UHFFFAOYSA-N 436.486 2.529 0 40 IFAB COC(=O)C1(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCCCC1 25172702 XOLPHTRHLGQITO-SFQUDFHCSA-N 434.558 2.691 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC#N)c(OC)c3)C2=O)o1 34835365 GVRQSJVMMTTWQO-ZSOIEALJSA-N 445.815 2.723 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NC[C@H]1CCCO1 35596855 YGDMKDRWLHAHTB-CQSZACIVSA-N 426.498 2.924 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 36396023 LWVYTAMMTLVINX-KBPBESRZSA-N 447.395 2.720 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38834561 VFAXKMFXKPDBJP-IBGZPJMESA-N 446.525 2.936 0 40 IFAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1F 40477993 IVCABSPAKKSQJI-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1nc2ccc(C(=O)NCc3ccccc3)cn2c1=O 48986124 GABGTEWRTDEFMQ-UHFFFAOYSA-N 443.507 2.936 0 40 IFAB COc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1F 56997640 OJELMCMSSLOSQF-UHFFFAOYSA-N 427.929 2.588 0 40 IFAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)C1 57354556 BEYCBRXCHLJIKZ-HXUWFJFHSA-N 435.524 2.873 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(Cc1ccc(N3CCCC3=O)cc1)CC2 72372387 PCJTYDFERDZJGP-QFIPXVFZSA-N 448.571 2.887 0 40 IFAB O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 101564932 QXNIAWXOIMCJBX-ABSDTBQOSA-N 432.542 2.945 0 40 IFAB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H]1O[C@@]13[C@@]21C=C[C@]2(C[C@@H](O)CC[C@@]23C)[C@H](C(=O)O)[C@@H]1C(=O)O 118936446 CPYNMESYXQPXTD-PRONJOHESA-N 444.524 2.658 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 138888104 WDGYMSTXPIZBOY-GOSISDBHSA-N 438.480 2.961 0 40 IFAB Cc1cc(C)c(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c(C)c1 219150063 KXLYTVHAAGOZAA-UHFFFAOYSA-N 444.601 2.768 0 40 IFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 223548400 YBFJJAPUAFTYRM-DEOSSOPVSA-N 439.556 2.624 0 40 IFAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 223584065 DPTMVDSGHPYJID-UHFFFAOYSA-N 431.470 2.727 0 40 IFAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 252498982 RSIAUNZATFBDLG-CYBMUJFWSA-N 439.863 2.627 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOc4ccccc43)C2)cc1 260728467 BNVXIFPKRYEYKL-KRWDZBQOSA-N 430.526 2.912 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@@]2(CCn3ncnc3[C@@H]2NC(=O)c2ccccc2)C1 306125289 CLGZYGNEEDXLNG-WIOPSUGQSA-N 429.524 2.923 0 40 IFAB Cc1cc(C(=O)N2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)no1 306130647 JMEMYDLXNVQWOS-NTKDMRAZSA-N 448.527 2.814 0 40 IFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 408612740 YOIYQIBOVUWBES-JTQLQIEISA-N 431.283 2.902 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCCCc1nnc2ccccn12 524733970 JOKQDAOFKWKLEE-UQJUWTFNSA-N 433.512 2.668 0 40 IFAB CC(C)(CNC(=O)[C@H]1CC12CCOCC2)S(=O)(=O)c1ccc(Br)cc1 530896732 QAMMFVXSDBZOLK-OAHLLOKOSA-N 430.364 2.934 0 40 IFAB O=C(c1cncc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 572864127 UZXDRZQGPJXFMB-WIHVIGOGSA-N 437.540 2.649 0 40 IFAB O=C1OC2(CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)C(=O)N1c1ccccc1 1889056394 GJJNEOPHHKHEEI-UHFFFAOYSA-N 436.436 2.813 0 40 IFAB CCN(CC)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 4272351 PVOKNFOXTIMGGY-UHFFFAOYSA-N 426.561 2.685 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)cc1 8815816 QNQCHKJMNHUVDJ-VCHYOVAHSA-N 432.436 2.566 0 40 IFAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCCC3OCCO3)s2)CC1=O 8904618 XFOPLWUFAFTFLB-ZDUSSCGKSA-N 434.543 2.693 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1 9062795 MCFXAJKNKSBEEW-UHFFFAOYSA-N 443.569 2.558 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@H]2C)c1 9120244 WLHMDQWVJUHDKN-RTBURBONSA-N 435.524 2.856 0 40 IFAB CCc1nc2ccccc2n1CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9378382 OVBPQONMONJYNH-UHFFFAOYSA-N 444.532 2.661 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccc2c(c1)OCCO2 9396003 YFNQHJSGQMDHCW-UHFFFAOYSA-N 447.399 2.887 0 40 IFAB Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1C 9415913 NCBPXWGCLMMKEQ-LJQANCHMSA-N 448.566 2.511 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)[C@@H](c3ccco3)C2)cc1 9453845 PYYXPPVCAWMTRU-WZONZLPQSA-N 436.468 2.686 0 40 IFAB COc1cc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1OCc1ccccc1 9646407 DLDQWMKFHBWJDM-UHFFFAOYSA-N 437.496 2.755 0 40 IFAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(O)c1 9663320 YARZMKZXJCZKFS-UHFFFAOYSA-N 446.525 2.979 0 40 IFAB O=C(NCCc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9867539 CAFAOWMKRWVLBT-UHFFFAOYSA-N 425.913 2.738 0 40 IFAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 10256102 OLSSCKOKCWQHJM-OAQYLSRUSA-N 441.553 2.569 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C1=O 10966184 JFZOOMLSQIVQFY-AWEZNQCLSA-N 428.510 2.977 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1 11858144 ZIKPVMZDARTHRJ-UHFFFAOYSA-N 438.527 2.569 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C[C@@H]1CCCO1 12371145 RULHWPATNPAGHT-LBPRGKRZSA-N 449.920 2.691 0 40 IFAB biogenic,in-vitro CCCCN[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12549164 UQGGUKNWJRSDIW-OAQYLSRUSA-N 431.558 2.777 0 40 IFAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 12763440 ISIDIDQEAJFKCO-QHCPKHFHSA-N 436.556 2.654 0 40 IFAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12783380 BPEFGSDAHBUMDN-HNNXBMFYSA-N 438.908 2.563 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)NCc3ccccc3Cl)CC2)cc1 12792841 ZGIWSSIXWPJURC-UHFFFAOYSA-N 435.977 2.661 0 40 IFAB Cn1cc(/C=C/C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c(=O)n(C)c1=O 12824282 NBCUKBLEXUXEGU-TWARPNBYSA-N 427.504 2.511 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 12974186 ZNEANWIGJPDROB-UHFFFAOYSA-N 433.555 2.820 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 13005530 QRSBZXURSRPHST-CZUORRHYSA-N 445.379 2.779 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1 13063185 BKSVNJJOBRNYLO-UHFFFAOYSA-N 442.946 2.936 0 40 IFAB COc1cc(CCC2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc(OC)c1 14100997 IWAYFHYMWMAXHT-UHFFFAOYSA-N 432.542 2.836 0 40 IFAB Cc1c(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)cccc1-n1cnnn1 14196773 RYGKCJKIEHPFLA-UHFFFAOYSA-N 425.499 2.922 0 40 IFAB Cc1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1 15674570 QNOMZSCZDKCFBY-QUCCMNQESA-N 427.526 2.968 0 40 IFAB biogenic,in-vitro CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@H](C)O[C@H](C)C2)s1 15943688 NXXZBCDIJZJWGE-OKILXGFUSA-N 444.600 2.692 0 40 IFAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 17095016 VELIIEOACMNREB-UHFFFAOYSA-N 426.542 2.727 0 40 IFAB COC(=O)[C@@H](C(=O)C(=O)Nc1nc2ccc(OC)cc2s1)c1cnc2ccccc2n1 17213238 CSKSCPISDXDWDO-QGZVFWFLSA-N 436.449 2.713 0 40 IFAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19078285 CMVDSHZZEIKMCQ-IHETXDGRSA-N 435.475 2.983 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H](C1CCN(C(=O)CCOC)CC1)C[C@@H]2C(F)(F)F 19530959 DVYNELAMFPMLJN-LSDHHAIUSA-N 432.443 2.623 0 40 IFAB COc1cccc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2nccn2C)c1 21901020 LMMHOVHRMGAOQZ-HXUWFJFHSA-N 429.498 2.658 0 40 IFAB O=C(NCc1ccco1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 23126495 RHIKFTYYPXOVLV-UHFFFAOYSA-N 431.539 2.782 0 40 IFAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O 29527477 KRWXBUHVTJYSQR-DEOSSOPVSA-N 446.463 2.965 0 40 IFAB O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)[C@H]1C[C@@H]1[N+](=O)[O-] 32932096 CWIGTCSJYJPOOI-ANKVGXQYSA-N 430.269 2.811 0 40 IFAB COc1ccc(Cl)cc1CC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 32937024 KNJKESURRLVACL-LJQANCHMSA-N 446.931 2.882 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 36446960 AADNYNIIPQNNAY-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1cccnc1 36569652 JQHKVNKETXJBOQ-XMMPIXPASA-N 428.536 2.767 0 40 IFAB O=C(c1ccc(-c2cnco2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 40150840 ISFFWKSYLPHMEK-UHFFFAOYSA-N 433.436 2.767 0 40 IFAB Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NC[C@H](O)c3cccnc3)nn2)CC1 45390442 OJLASFAHNJPVLA-QFIPXVFZSA-N 445.523 2.743 0 40 IFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C2=O 48285862 FDBPCJUTUDNBMA-LBVATQBMSA-N 427.545 2.849 0 40 IFAB Cc1csc2nc(CN3CCC(C(=O)NCCc4ccccc4F)CC3)cc(=O)n12 48287457 YSAFYCLJHMISNV-UHFFFAOYSA-N 428.533 2.774 0 40 IFAB Cc1oc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 48289616 MKCADTJGVDENIE-QGZVFWFLSA-N 445.541 2.863 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC 67287373 ISIUMSCHHUNPSC-NRFANRHFSA-N 447.532 2.615 0 40 IFAB CC(C)C[C@H](NC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C)C(N)=O 68605637 LLTBESZDWJXUAR-PKOBYXMFSA-N 428.533 2.846 0 40 IFAB CCOc1ccc(CN2CCc3nc([C@H]4CCCN4C(C)=O)nc(NC)c3C2)cc1CO 72372403 GEHHNYQEDFGXFE-OAQYLSRUSA-N 439.560 2.651 0 40 IFAB CCCC(=O)N1CCc2nc(C3CCN(Cc4c(C)nc5ccccn45)CC3)[nH]c(=O)c2C1 72398758 INKAUYWKPCDUGE-UHFFFAOYSA-N 448.571 2.790 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1Br 79016348 SBGWAJKJIJAHNY-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB NC(=O)[C@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 95957698 USPCLRNPSGESII-IAGOWNOFSA-N 436.281 2.573 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)c4cn5c6c(cccc6c4=O)CC5)C3)cc2n1 100138005 SNVLIWRVPIGCNV-INIZCTEOSA-N 429.480 2.634 0 40 IFAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)CN1C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C1=O)C2 102138931 BTTCTZVQXVCUBL-NRCYFMBTSA-N 427.501 2.513 0 40 IFAB C[C@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N=C=O)cc1 114672425 SDAXBDFPLILPQN-IYBDPMFKSA-N 440.408 2.942 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1 222900676 PBPBSOGLLLUJNC-UHFFFAOYSA-N 434.514 2.740 0 40 IFAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224243992 BYJCREMGKMNRSY-SFHVURJKSA-N 440.949 2.943 0 40 IFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 224296292 INZCUSZPCLGUMO-GOSISDBHSA-N 436.530 2.600 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224676532 MAVVXLCZMAQAND-UHFFFAOYSA-N 429.586 2.918 0 40 IFAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225580606 LTQXHYLLFMZKRB-QGZVFWFLSA-N 449.548 2.534 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@]2(CO)C(=O)O)cc1 242687792 UVYHYDKSNCCIEB-JZXOWHBKSA-N 425.300 2.761 0 40 IFAB O=C(c1ccncc1)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)C3[C@@H]4CCCC[C@@H]34)nc2C1 247952986 UGDAXLDIUINBEU-HLIPFELVSA-N 447.539 2.875 0 40 IFAB CN(C)C(=O)c1cnn2c([C@@H]3CCCCN3C(=O)CCn3ncc4ccccc43)ccnc12 257297450 RHHHIHYSEWRLTC-FQEVSTJZSA-N 445.527 2.925 0 40 IFAB COC(C)(C)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCOCC2)C1 257300032 RSPWWWFIXBBQQF-LPHOPBHVSA-N 438.952 2.610 0 40 IFAB COc1ccc(C2=NO[C@@](C)(C(=O)N3CCOC[C@@H](Cc4nccn5cccc45)C3)C2)cc1 257325402 WSUOIDHWGBQNFB-AVRWGWEMSA-N 448.523 2.944 0 40 IFAB C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N12 306144989 ZUBCFACKRSREFP-QFUCXCTJSA-N 440.569 2.634 0 40 IFAB O=C(c1cccc(Br)c1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390831507 SEXPFXXROZMXRJ-UHFFFAOYSA-N 429.274 2.737 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 408562403 ZOTSJBWKNJSJCY-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1C 408588093 CERSLCNJQJSJMH-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408624198 GBTFJDGYQSUYEP-UHFFFAOYSA-N 448.497 2.777 0 40 IFAB CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(CC)C2=O)cc1OCC 409231939 GJAHGXFRFQBSQQ-NTUHNPAUSA-N 441.278 2.702 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CCOC)C2=O)ccc1OCC(=O)N1CCCC1 409355590 DLCJRSRJBNTVFV-AQTBWJFISA-N 434.514 2.769 0 40 IFAB CC(=O)NC[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)CCO1 524002202 SFJSOCWVDADQEU-JOCHJYFZSA-N 432.524 2.884 0 40 IFAB Cc1cc(CN(CC(C)C)C(=O)c2cc(S(N)(=O)=O)oc2C)nc(N2CCCCC2)n1 538423205 CIUUXAHRRQGVCJ-UHFFFAOYSA-N 449.577 2.623 0 40 IFAB COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585281832 BXLMZLNYDUITRN-HSZRJFAPSA-N 440.531 2.834 0 40 IFAB CCCOc1ccc(CN2C[C@H](CN3C(=O)NC4(CCSCC4)C3=O)CC2=O)cc1 2298108070 RHJRWUXDCQIAJF-QGZVFWFLSA-N 431.558 2.642 0 40 IFAB O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1N1CCCCC1 1344674 HHOROVQAZMJGSL-UHFFFAOYSA-N 447.474 2.745 0 40 IFAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 3447372 GMTYHMQEJKKCMF-UHFFFAOYSA-N 442.868 2.527 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCc3ccccc3)cc2c1 4133035 KTPLEPUHQFXUST-UHFFFAOYSA-N 425.554 2.838 0 40 IFAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccccc1 6198578 RDSNCERFKWMEGL-UHFFFAOYSA-N 438.553 2.695 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCC[C@H](C)C2)sc(C(=O)OCCOC)c1C 7787463 YJHXYAVOOYAVLE-ZDUSSCGKSA-N 426.535 2.707 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)c3c(C)nc4scc(C)n4c3=O)CC2)c1C 8594613 HSKLYWWNVWFWJC-UHFFFAOYSA-N 432.571 2.501 0 40 IFAB CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCCOC)c3nc4ccccc4nc32)cc1 9353266 OYCOGBCMLVWLMW-UHFFFAOYSA-N 433.468 2.709 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCN(C(C)=O)C2 9383251 FNMUZVLYRLJKQR-MRXNPFEDSA-N 430.482 2.608 0 40 IFAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)c1 9409662 NLBUSGYDKDNNBP-BXWFABGCSA-N 442.365 2.947 0 40 IFAB CCCN(C(=O)Cc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9643230 OBZREHYMNKQIJE-UHFFFAOYSA-N 426.904 2.806 0 40 IFAB COc1ccc(Cl)cc1NC(=O)c1cn(C)c2c(=O)n(Cc3ccccc3)c(=O)[nH]c12 9659720 MYNUGPORZQJDGO-UHFFFAOYSA-N 438.871 2.991 0 40 IFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CCCCCC1)S(C)(=O)=O 10111265 UCHTZUNDPVBAMX-MRXNPFEDSA-N 446.013 2.885 0 40 IFAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 11227712 XVODQJCAJBMEKC-UHFFFAOYSA-N 432.918 2.830 0 40 IFAB CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 12522067 NXFLWZXEUANZFO-UHFFFAOYSA-N 433.512 2.810 0 40 IFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(OC)c1 12561804 ZXYBHXTWLFKETA-GJZGRUSLSA-N 434.514 2.754 0 40 IFAB O=C(CNC(=O)CNC(=O)c1ccco1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12764222 AYSGLSBQZDLGQQ-CXSBNTHRSA-N 443.503 2.539 0 40 IFAB C[C@@]1(C(=O)N(CC(=O)NCCc2ccccc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 13082994 UDMDTDJGNISNGI-VWLOTQADSA-N 434.540 2.590 0 40 IFAB CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715390 ATOIJFNLPFOREN-SFHVURJKSA-N 438.521 2.746 0 40 IFAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 14231288 WTTRJKFXNXCTGU-LJQANCHMSA-N 438.908 2.706 0 40 IFAB COc1ccnc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 15143625 YVKUULKQRIHSJF-UHFFFAOYSA-N 436.843 2.668 0 40 IFAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 15974902 ODRSGVPAKCIRNW-CBPXPLCBSA-N 443.459 2.517 0 40 IFAB COc1ccc(C(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1 16216255 MAAPUVCEABZFIU-UHFFFAOYSA-N 447.538 2.567 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccc(OC)cc2)c2sc3nc(CC)nn3c2O)CC1 16690240 MXZDHJLNGRWYBU-KRWDZBQOSA-N 445.545 2.931 0 40 IFAB Cc1nc2ccc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc2nc1C 19295355 BTMNRYSEHOWPOE-UHFFFAOYSA-N 438.532 2.638 0 40 IFAB Clc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCOCC3)[C@H]2N2CCOCC2)cc1 19329942 FLJXMLYQHFFFEJ-GOTSBHOMSA-N 426.948 2.923 0 40 IFAB COc1ccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 19497312 CCYURNUAGQVJKK-HZPDHXFCSA-N 426.517 2.688 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(C)CCC3)c(C)n1 19706096 MFHKQVFSTXDLHH-GOSISDBHSA-N 432.594 2.998 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)cc1C 19763050 HVTXOZCPMWQHHF-KRWDZBQOSA-N 446.573 2.681 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)Nc1ccccc1F 19764903 TZXQAYSOWZYJNP-IBGZPJMESA-N 439.491 2.852 0 40 IFAB Cc1ccccc1Cn1cc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)cn1 20418683 NDYBFQQBMSVQLB-UHFFFAOYSA-N 441.538 2.803 0 40 IFAB CCOc1cc(Br)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC 20444916 IENSPAPYFICTAY-FZMZJTMJSA-N 435.365 2.900 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 22228661 HTSUJQLVLNZJOY-UHFFFAOYSA-N 443.569 2.903 0 40 IFAB O=C(Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O)NCc1ccco1 23108995 QRLUASBGPMLGIQ-UHFFFAOYSA-N 425.470 2.623 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)CCCNC1=NS(=O)(=O)c2ccccc21 24314632 ZYAZSXBKNZANPB-UHFFFAOYSA-N 428.539 2.774 0 40 IFAB CCC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 24370624 KIZMVRQTNZNGPS-UHFFFAOYSA-N 431.919 2.951 0 40 IFAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCO1 26398692 NMSVXUCSVPNQQU-BLLLJJGKSA-N 436.361 2.577 0 40 IFAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 29149443 LVGDLGWTXNZELA-UHFFFAOYSA-N 434.583 2.507 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 30952159 NGTAXGZQFNPXTA-CQSZACIVSA-N 429.860 2.833 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)NCCC(=O)Nc3nc4ccccc4s3)CC2=O)cc1 32097068 KURBVMYYYSCJDQ-AWEZNQCLSA-N 438.509 2.803 0 40 IFAB O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32759090 STULVVYXBSJOLN-HXUWFJFHSA-N 427.570 2.749 0 40 IFAB COc1cc(C)ccc1OS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 48234492 CINWZNDNBYGEGF-UHFFFAOYSA-N 428.260 2.865 0 40 IFAB CCCN(CCC)C(=O)Cn1c(=O)n(Cc2cccc(OC)c2)c(=O)c2sccc21 57426826 WNUUYYDOPSBWAV-UHFFFAOYSA-N 429.542 2.930 0 40 IFAB Cc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)N2CCCC2)o1 58307638 VKUNGYINBAMXCC-PKOBYXMFSA-N 439.512 2.665 0 40 IFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 72346088 AWYNEHNZCGPSPG-SFHVURJKSA-N 433.487 2.913 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 220350008 SKIOZRYKKYDFNF-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB COc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1C 223375031 NKLVPGCSFRPYJG-UHFFFAOYSA-N 442.559 2.808 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3CCS(=O)(=O)C3)CC2)on1 257210446 BUQMQSGSYIILBE-KZNAEPCWSA-N 446.573 2.963 0 40 IFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652368 CJRORNHQLIOVJI-KMNYTQEUSA-N 432.904 2.877 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408661979 PBEVCHMTCKXSHL-XRJOUIEWSA-N 432.904 2.877 0 40 IFAB C[C@H]1c2nc(CC(=O)NCc3ccccn3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097675 MNAGCMGCFIXMBK-INIZCTEOSA-N 428.496 2.835 0 40 IFAB O=C1CN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CCN1 1673166898 KVBIODUOYLGZAM-YXJHDRRASA-N 440.466 2.799 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)n2)n1 1775970001 WVJJFOWQFNTXRF-UHFFFAOYSA-N 444.539 2.944 0 40 IFAB O=C1CN(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C(=O)N1c1ccccc1 1888917921 QJDAXDDMQCPZJU-UHFFFAOYSA-N 445.405 2.581 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2Cl)cc1 785659 OKSLXQQZAOCSTI-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C2)cc1 796798 SIYBHNBISOSANK-INIZCTEOSA-N 431.514 2.693 0 40 IFAB CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3CCCC[C@@H]3C)nnc12 1325929 WNJUJGCIKIKLSP-HNNXBMFYSA-N 428.562 2.702 0 40 IFAB O=C(C1CC1)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 1334860 XNMREHKXQKVWBP-GFCCVEGCSA-N 447.326 2.986 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 3413964 LCKFXTDUBZNBHU-UHFFFAOYSA-N 428.432 2.861 0 40 IFAB C[C@@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 4249352 BRUJHRLMIRZXIG-OAHLLOKOSA-N 425.508 2.873 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 5603828 HNHKOPQEENFDJK-UHFFFAOYSA-N 427.570 2.866 0 40 IFAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl 9154450 TXONSEISCRLNRH-HWPZZCPQSA-N 436.288 2.904 0 40 IFAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCCN1Cc1ccco1 9156924 AHPLHLPWDCIITA-UHFFFAOYSA-N 425.876 2.602 0 40 IFAB O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9223630 DVOLGRIDCFQMFM-UHFFFAOYSA-N 436.537 2.508 0 40 IFAB CC(=O)NCc1ccc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2C)cc1 9245578 RRXLJEXKPIDINL-HXUWFJFHSA-N 438.509 2.939 0 40 IFAB CCc1ccccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 9337632 VUOZBGVUBKEQEA-UHFFFAOYSA-N 439.537 2.826 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C 9351652 VONNGIQKNWJOQV-CQSZACIVSA-N 439.921 2.591 0 40 IFAB Cc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 9364448 VDAHQSMUWSVJAS-UHFFFAOYSA-N 433.530 2.911 0 40 IFAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 9464021 IMMQVXDEHMHZCF-VXKWHMMOSA-N 434.492 2.604 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc21 9743838 LXOAPNBILUUSCJ-UHFFFAOYSA-N 440.525 2.762 0 40 IFAB CC(C)OCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974455 FRXSBVYASICGMV-HNNXBMFYSA-N 447.395 2.781 0 40 IFAB O=C(NCCCOCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10103507 LEHBPTPIZNICTP-IBGZPJMESA-N 434.533 2.950 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccccc1 10433666 LEPYKVADZAXJGU-FQEVSTJZSA-N 428.510 2.948 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1OC 10900035 WWDUBWYIAYFADN-UHFFFAOYSA-N 431.558 2.866 0 40 IFAB CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 11426940 OQPXRPMGFKRGOH-HUUCEWRRSA-N 434.566 2.728 0 40 IFAB CCOc1ccccc1OCCC(=O)OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 13109351 FJKJVRYQRAPFKB-UHFFFAOYSA-N 429.425 2.967 0 40 IFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 13128797 VMXAYIZXAPVNAE-FQEVSTJZSA-N 441.484 2.640 0 40 IFAB O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 13950062 PIZDSLPKZHMXQM-UHFFFAOYSA-N 449.381 2.830 0 40 IFAB CC(C)C[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)OCN1C(=O)c2ccccc2C1=O 14018951 MEDOMKCHDMBWEL-KRWDZBQOSA-N 429.860 2.676 0 40 IFAB O=C(Cc1noc2ccccc12)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 14242373 GHMVZYMMXPCXLN-UHFFFAOYSA-N 449.898 2.918 0 40 IFAB Cc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C 15736086 FGCBVQGTXYISLU-UHFFFAOYSA-N 444.340 2.921 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)cc1 15894269 UHQGAHOMMGNWMW-KDNSLJGTSA-N 436.464 2.638 0 40 IFAB biogenic Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C[C@H]3SC(=N)NC3=O)cc2)cc1 17094408 VAHDJOHOGJSVPD-QGZVFWFLSA-N 425.466 2.530 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C)o3)CC2)cc1 17957429 ZYSFTMOKHUIHKC-UHFFFAOYSA-N 448.541 2.824 0 40 IFAB Cc1ccc(C(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)s1 19217061 QGFQFIZAXMSESO-IAGOWNOFSA-N 427.574 2.827 0 40 IFAB COc1c(C)cccc1C(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2C(C)=O)n1 19760251 SKAPMIHSCPIROZ-IBGZPJMESA-N 425.533 2.815 0 40 IFAB CCN1CCC[C@@H]1CNCC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 22789167 JJVPBUWBSQAWCV-HXUWFJFHSA-N 438.572 2.680 0 40 IFAB CCCn1nnc(NC(=O)COc2c(C)cc(Br)cc2Br)n1 32118849 SQAHSKKJEUYHRU-UHFFFAOYSA-N 433.104 2.934 0 40 IFAB COc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)cc1 33249299 AOHKOADXHBUJCE-UHFFFAOYSA-N 430.457 2.688 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1C 36383962 VQUOOXXLEYOHMI-QHCPKHFHSA-N 441.597 2.804 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2c(C)oc(C)c2S(=O)(=O)N2CCCC2)CC1 38489397 SRQIESKYBJTCLI-UHFFFAOYSA-N 447.557 2.652 0 40 IFAB Cc1nc2nc3ccn(CCCN4CCOCC4)c(=O)c3c(-c3ccccc3Cl)n2n1 40398390 JPHMDIDWRQCXNX-UHFFFAOYSA-N 438.919 2.790 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(Cl)c2)c1=O)Nc1cccc(Cl)c1 40478048 QHKJAHUBEHXWNK-UHFFFAOYSA-N 429.267 2.982 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380074 STNKAYHZSMJXJS-CQSZACIVSA-N 432.458 2.638 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3F)c2)o1 48325267 YWLOMNREHDSMJY-UHFFFAOYSA-N 445.472 2.851 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4cc(F)ccc4F)c(=O)n3c(C)n2)cc1 67226572 ZRRSCQBXAOLVSF-UHFFFAOYSA-N 425.395 2.792 0 40 IFAB COC(=O)c1cc(S(N)(=O)=O)ccc1NCCc1ccc(F)c(Br)c1 71969059 CGSLSSSQLRXAEG-UHFFFAOYSA-N 431.283 2.677 0 40 IFAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)C[C@@H](C)O1 72305403 BVKOKGVENBAURK-AQNXPRMDSA-N 438.572 2.846 0 40 IFAB CCN(CC)Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3CC)o1 72347109 QKNUOIXZSUGFSB-UHFFFAOYSA-N 425.533 2.719 0 40 IFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 72376527 ADMLNUWZEDNBNH-SFHVURJKSA-N 448.571 2.653 0 40 IFAB CNS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)c(F)c1 95443263 BVHBRUBASQXTJZ-UHFFFAOYSA-N 448.383 2.880 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117847 AMELWWFURHWRLW-WVJQBFIPSA-N 447.535 2.875 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 219147817 UTRLQLHKGBMWTC-UHFFFAOYSA-N 433.574 2.883 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O 220348466 YPAIDVQKHYUXQW-INIZCTEOSA-N 445.541 2.924 0 40 IFAB C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1cccc(F)c1)S(C)(=O)=O 220491407 STKIMNOPPYOZKM-AWEZNQCLSA-N 432.477 2.689 0 40 IFAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1NS(C)(=O)=O 225471743 MSQUSSNTQDARPE-OALUTQOASA-N 443.554 2.967 0 40 IFAB Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)NCc4nc5ccccc5n4C)C[C@@H]32)ncn1 257262157 LKJHSWDHPCKXDT-SFHLNBCPSA-N 432.572 2.879 0 40 IFAB Cc1ncc(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c(C)n1 257298741 RNCRVQHLEAJWBF-NRFANRHFSA-N 443.454 2.930 0 40 IFAB COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)Cc5nc(C)no5)CCO4)ncn3c2)cc1 585113176 XBZHDQVOTTUVDM-FQEVSTJZSA-N 433.468 2.844 0 40 IFAB Cc1nc(C)c(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)s1 643557605 YIUPYDCOFNSNLM-QHCPKHFHSA-N 443.569 2.893 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)c(C)n1 2037834598 UGXXNCXNBYJSTD-INIZCTEOSA-N 448.574 2.877 0 40 IFAB CCc1ccc(OC[C@H](O)Cn2c(SCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 727072 VSFXMJBHPGIZBR-MRXNPFEDSA-N 446.573 2.564 0 40 IFAB O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCOCC1 2722283 KUIVFVVUPKGYDB-UHFFFAOYSA-N 432.929 2.976 0 40 IFAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3315443 SSPNCVBYSWBQFV-UHFFFAOYSA-N 439.493 2.815 0 40 IFAB CC[C@H](OC(=O)[C@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 5225781 FJXSUUDNDQGLGD-GJZGRUSLSA-N 436.559 2.659 0 40 IFAB COC(=O)C[C@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1 8782167 JUNQRVKWVBKDKX-ZDUSSCGKSA-N 426.288 2.969 0 40 IFAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1 8868077 GFNXDNJXQOXGDM-UHFFFAOYSA-N 443.934 2.903 0 40 IFAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)N1CCC(Cc2ccccc2)CC1 8966282 ZZWCKRHIFVRKAB-UHFFFAOYSA-N 439.537 2.563 0 40 IFAB COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)CCC(=O)O)cc1 9060529 RVGJGHVOKKOQRB-LJQANCHMSA-N 445.497 2.609 0 40 IFAB C/C(NN1CCCC[C@H]1c1cccnc1)=C1/C(=O)NC(=S)N(C2CCCCC2)C1=O 9111609 JSLFMQXCOCNGKU-CMAIMYMYSA-N 427.574 2.963 0 40 IFAB C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9291940 MQZKFHINLITMFE-INIZCTEOSA-N 433.487 2.740 0 40 IFAB COCCN1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O 9323713 ODUIAKSSVACCNG-YRNVUSSQSA-N 435.239 2.688 0 40 IFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)N1CCOCC1 9365191 GWRHEXSCYDJEAW-OAHLLOKOSA-N 427.530 2.556 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 9438566 YKOKHHRKTZZLGE-ROUUACIJSA-N 436.574 2.913 0 40 IFAB Cc1cc2nc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)c3ccccc3n2n1 9632977 VQKIPMFTDZVXCL-UHFFFAOYSA-N 425.489 2.841 0 40 IFAB Cc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)c1 9640357 ZXAZQAOVIDWXMV-UHFFFAOYSA-N 434.529 2.680 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 9708132 DSOVBAUUUSPKTM-LJQANCHMSA-N 433.464 2.545 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccc(OC)cc1 9761802 XASOUVPTSHGPEL-UHFFFAOYSA-N 441.415 2.574 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4CCc3ccccc3)n(C)c2=O)cc1 10252573 WKUFEGQFLXEUPT-LJQANCHMSA-N 443.551 2.952 0 40 IFAB NC(=O)c1ccc(NC(=O)CCCSc2ccc(NC(=O)c3ccco3)nn2)cc1 11794453 ZEFJEGDRZQOKRK-UHFFFAOYSA-N 425.470 2.932 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 11906039 RDBBFCUFOULURO-UHFFFAOYSA-N 432.882 2.655 0 40 IFAB CSc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2=O)c1 12263354 PXBWGKRVIHTFKY-OAHLLOKOSA-N 445.566 2.940 0 40 IFAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C)n1 12522896 MBIFSWRBNOLSNU-UHFFFAOYSA-N 432.546 2.875 0 40 IFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 12523259 WUBVWLBJNVZKCG-UHFFFAOYSA-N 437.518 2.647 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12734323 IUQWDPCQRICSJX-QGZVFWFLSA-N 443.569 2.517 0 40 IFAB COc1ccccc1C(=O)COC(=O)[C@H](CCSC)NC(=O)COc1ccccc1 12911473 ASPHGRBXDJJSMD-SFHVURJKSA-N 431.510 2.738 0 40 IFAB Cc1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)n1-c1ccccc1 13417374 SIZOAABPSKLXBJ-IBGZPJMESA-N 435.509 2.961 0 40 IFAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccccn1 13566406 KJIJJEXSOCZUTR-UHFFFAOYSA-N 437.521 2.837 0 40 IFAB COC(=O)c1c(NC(=O)COc2ccc(-n3cnnn3)cc2)sc2c1CC[C@@H](C)C2 14352369 GNQAEQWUNOWMIH-GFCCVEGCSA-N 427.486 2.653 0 40 IFAB COc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c(OC)c1 16838791 OHRCBKMYNKSSMT-UHFFFAOYSA-N 435.531 2.592 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695579 WRUQNHGDCAGBAA-AREMUKBSSA-N 447.510 2.920 0 40 IFAB O=C(c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)N1CCN2CCCC[C@H]2C1 19708053 CSSYHOWDGJHJNP-NRFANRHFSA-N 433.556 2.807 0 40 IFAB Cc1nc(C2CCN(CC(=O)N(C)C)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19739514 SVCGWIUWSOTREI-UHFFFAOYSA-N 439.535 2.671 0 40 IFAB O=C(Nc1nccs1)c1cncnc1CC1CCN(S(=O)(=O)c2ccccc2)CC1 19757051 DLIGVVBYNFLUMI-UHFFFAOYSA-N 443.554 2.829 0 40 IFAB Cc1nc(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)ncc1C(=O)Nc1ccccc1 19764223 QQJGTUHDMLTHKU-UHFFFAOYSA-N 431.496 2.756 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(Cc3ccccc3)c1=O)NCC2 20326853 NXPCOYOAWLTYSO-LJQANCHMSA-N 425.510 2.912 0 40 IFAB CCN1CCN([C@@H](c2cc(OC)c(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1 22784311 LBWRMIADQHFHOV-KRWDZBQOSA-N 447.561 2.558 0 40 IFAB O=C(CN1CCN(Cc2ccco2)CC1)Nc1cccc(I)c1 22915228 OCGIBXNPGQAYNI-UHFFFAOYSA-N 425.270 2.641 0 40 IFAB CCc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 22929614 WQKWQQRBVBUYLY-HBMCJLEFSA-N 428.621 2.548 0 40 IFAB NC(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 23819831 OBSCGHYJOGTNII-IBGZPJMESA-N 442.510 2.989 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCc1ccc(OC(C)C)cc1)c1ccc2c(c1)OCO2 30867929 ASDPYGKGQDUNKU-UHFFFAOYSA-N 434.514 2.675 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 32986431 NEBZSJIUDGVDKL-NZQKXSOJSA-N 439.556 2.849 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c2ccccc2O1 35266994 HCVXIOHTWVWZCA-LPHOPBHVSA-N 436.493 2.772 0 40 IFAB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)COC1(C)C 35529535 QMRGOZHWQFEGGB-VLIAUNLRSA-N 438.480 2.962 0 40 IFAB O=C(Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O)Nc1ccc2c(c1)OCO2 49008728 NGMMZIOKOPZMBJ-UHFFFAOYSA-N 439.815 2.704 0 40 IFAB O=C1NC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)N=C1c1cccc(Cl)c1 64965692 VMEWIVYPZPOMCB-UHFFFAOYSA-N 439.871 2.718 0 40 IFAB COc1cc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc(OC)c1 67316781 YCGGFCMMIVJQMF-UHFFFAOYSA-N 441.459 2.549 0 40 IFAB COC(=O)Cn1cc(CN2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c2ccccc21 72347481 YETLFRSGGURNGS-KRWDZBQOSA-N 449.555 2.692 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 85420761 HIRQDSRUPIDXSW-VERUCKTNSA-N 434.279 2.893 0 40 IFAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(OC(F)(F)F)cc2)o1 96116677 VPJRLWAWUHFYAG-HNNXBMFYSA-N 427.375 2.933 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 96263159 ZOFFRKFZQAADJH-SFHVURJKSA-N 427.480 2.567 0 40 IFAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)OC 96385271 VAGMXVZWSGQYGD-HXUWFJFHSA-N 425.485 2.655 0 40 IFAB CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119230496 IRJWPUOTLSQRFN-IBWGZILZSA-N 444.524 2.835 0 40 IFAB CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136561468 YTGPCJHCAKRFAW-HBMCJLEFSA-N 436.556 2.505 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O 220348525 YPAIDVQKHYUXQW-MRXNPFEDSA-N 445.541 2.924 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)Cc1ccccc1Cl 223067435 XUMIBZVQCVDRNI-UHFFFAOYSA-N 431.341 2.950 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 223111601 ZVMIMDBWEYIEEP-IBGZPJMESA-N 434.514 2.974 0 40 IFAB CCOc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 223651941 VKCLCBRRAGQKQB-UHFFFAOYSA-N 426.922 2.700 0 40 IFAB O=C(Cn1cnc2ccccc21)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543438 GAUWAKTXTBVUQB-UHFFFAOYSA-N 434.475 2.531 0 40 IFAB CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245230266 OLYMSKIHWOMGRD-WYADAEROSA-N 446.500 2.924 0 40 IFAB CN(C(=O)c1ccnnc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257307818 TUGLSORDRIPNJF-PEKPJSAASA-N 425.529 2.546 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1cccc(Cl)c1C 408616772 AYIIODVMGYBWLY-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 409061495 YCHOHOWMNGWGOF-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB Cn1c(=O)nc(O)c2cc(C(=O)NCc3ccc(-c4ccc5c(c4)CCCO5)cc3)cnc21 504691274 UBEOFYJWBZOWPW-UHFFFAOYSA-N 442.475 2.956 0 40 IFAB O=C(C[C@@H]1C[C@H]2O[C@H](CNCc3ccccc3Cl)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604381842 RHKFLXSBHKASJB-JOCFFJSCSA-N 448.922 2.561 0 40 IFAB biogenic,in-vitro CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)C1 1556638379 MGWNQFAATNCXMO-OALUTQOASA-N 440.548 2.836 0 40 IFAB C[C@](NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1)(C(=O)O)[C@@H]1C[C@H]2CC[C@H]1C2 1616030756 FFMAPHSLYOTGJR-VSFMBMCQSA-N 435.420 2.961 0 40 IFAB O=S(=O)(CCOc1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888897377 VHNDDABPJPEIAS-HOTGVXAUSA-N 441.475 2.877 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2cc(-c3ccco3)cs2)cc1 1889286969 OBHKJNOGWMOGIM-INIZCTEOSA-N 446.506 2.673 0 40 IFAB O=C(NCC(F)(F)F)[C@@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226448 RRFVIHLMWONAHM-GOEBONIOSA-N 426.357 2.744 0 40 IFAB COc1ccc(NC(=O)N2C[C@@H]3CN(c4cc(-n5nc(C)cc5C)ncn4)C[C@@H]3C2)cc1 2086896902 WEDBGPNLWWMDNX-HDICACEKSA-N 433.516 2.888 0 40 IFAB COc1ccc(CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1 3340720 DYRKKPQWIITCRN-QGZVFWFLSA-N 426.535 2.551 0 40 IFAB COCCn1c(NCCC(c2ccccc2)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 6444849 PFWUCPMUFOPPFK-UHFFFAOYSA-N 433.512 2.704 0 40 IFAB Cc1oc2cc(OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 8965877 PBPWNBXZMWHDPO-QGZVFWFLSA-N 441.505 2.793 0 40 IFAB COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 9218490 DZSTVIVVIOJITG-LJQANCHMSA-N 435.567 2.562 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 9806439 DZDBJHSXIZPJFY-GOSISDBHSA-N 430.526 2.924 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1C(F)(F)F 11858095 HFYFOLHAIXTXRK-UHFFFAOYSA-N 448.444 2.881 0 40 IFAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccncc4)CC3)n2)C1 12133513 NJCHCMLJNCBMBC-MRXNPFEDSA-N 443.573 2.531 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(-n4cccn4)nc3)C2)s1 12522344 HCASRHONUCPWCH-OAHLLOKOSA-N 431.543 2.677 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 12745352 HBOHPHCQADPDSA-UHFFFAOYSA-N 428.510 2.719 0 40 IFAB CCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC 12775282 YLTNOCRSJWUQTP-INIZCTEOSA-N 447.557 2.873 0 40 IFAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCN1C(=O)c2ccccc2C1=O 13017778 GYDVOGPNYHSTBT-UHFFFAOYSA-N 432.480 2.738 0 40 IFAB CC1=CC=CC2=NC(=O)C[C@](C)(C(=O)N(CCc3ccccc3)CC(=O)NC3CCCC3)N12 13083001 SLOQBGWNTZRMPF-AREMUKBSSA-N 448.567 2.980 0 40 IFAB O=C(CCn1cnc2ccccc2c1=O)Nc1cc2c(cc1Br)OCCO2 14198347 DPRZWYBFZMAGIY-UHFFFAOYSA-N 430.258 2.959 0 40 IFAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(F)cc1 15648952 DAQMMXIULMZLLK-CYBMUJFWSA-N 426.897 2.991 0 40 IFAB Cc1ccn2c(=O)c(Cc3nnc(SCC(=O)Nc4ccccc4)n3C)c(C)nc2c1 15859212 SYNRXUFFMUKBNY-UHFFFAOYSA-N 434.525 2.761 0 40 IFAB O=S(=O)(N1CCCC1)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(CC1CCCCC1)C2 19014816 KOAIUAZTHYOVGR-HXUWFJFHSA-N 449.621 2.598 0 40 IFAB COc1ccc2c(c1)C1=C([C@H](c3cnn(C)c3C)n3ncnc3N1)[C@H](c1cnn(C)c1C)O2 19640695 AJYGEGYIHBRYLL-VXKWHMMOSA-N 444.499 2.930 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20110291 BJIDJUUIMLJNOE-UHFFFAOYSA-N 427.526 2.991 0 40 IFAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@@H]3C)C1=O)O[C@@H](C)C2 23701091 MJKFMUXNDIJRQZ-NPGVVQFXSA-N 429.517 2.526 0 40 IFAB COc1ccc(CCN(C)[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 23731893 UBHKAWXCKFIDPA-HXUWFJFHSA-N 425.573 2.911 0 40 IFAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccs1 23907619 VCJAOUSUQJPNED-GOSISDBHSA-N 433.555 2.852 0 40 IFAB O=C(COc1ccc(F)cc1Br)NC1CCN(C(=O)c2ccoc2)CC1 30878213 AAGDFDRSXRDYOF-UHFFFAOYSA-N 425.254 2.981 0 40 IFAB O=C(NCc1ccc(N2CCCC2)nc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 31315249 ZRLYDSQYALSXRE-GOSISDBHSA-N 446.548 2.538 0 40 IFAB COc1ccccc1OCC(=O)Nc1nnc(Cc2ccc(S(=O)(=O)C(C)C)cc2)o1 36659106 QFQVYJNIDVCBPP-UHFFFAOYSA-N 445.497 2.869 0 40 IFAB CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 44913725 LWPGWERFVINJIV-UHFFFAOYSA-N 427.420 2.959 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(Cl)cc23)c1 57110947 WWVKMMNZJNDWBR-YRMIPTGESA-N 445.903 2.502 0 40 IFAB COCCN(CCOC)c1nc(N2CCCC2)nc2c1CN(Cc1ccccc1)CC2 57731540 LYFLPVJQMKLSQP-UHFFFAOYSA-N 425.577 2.734 0 40 IFAB COc1cc(C(=O)NCCN2CCC(O)(c3ccc(F)cc3)CC2)cc(OC)c1OC 57763000 OWQUYGQCGUYZOS-UHFFFAOYSA-N 432.492 2.565 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 60839049 WCJITWCLUKDAPK-UHFFFAOYSA-N 425.466 2.599 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc(F)cc1Cl 65237486 SCTFVAOMXJCEEC-UHFFFAOYSA-N 441.912 2.844 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1ccc2ccc(Br)cc21 72401824 CJEQZDYDIPGWOF-UHFFFAOYSA-N 425.286 2.999 0 40 IFAB O=C([C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1)N1CCC(Cc2ccccc2)CC1 96105246 KOYICMSQQIHUCY-NRFANRHFSA-N 431.544 2.755 0 40 IFAB Cc1cc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)c(C)o1 96251361 CUDKQPWSBKSMCD-CYFREDJKSA-N 437.544 2.571 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 113949759 RORXIDPXNYBRMH-NRFANRHFSA-N 448.564 2.761 0 40 IFAB COc1ccc(S[C@@H]2CCO[C@@H](CCNC(=O)c3cc(OC)nc(OC)n3)C2)cc1 141521695 SHERWNDUWZIUHY-DOTOQJQBSA-N 433.530 2.962 0 40 IFAB O=S(=O)(c1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)CCCOc2ccccc2)C1 211107039 NVIIBCBHMOBVJN-HXUWFJFHSA-N 441.546 2.863 0 40 IFAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(OC)c(OC)c1 218795127 HQPABVSTRCYRND-KKSFZXQISA-N 448.541 2.888 0 40 IFAB COc1ccc(CCCNC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220343385 IPDGAVNPZKLONO-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB COc1cc(CN(C)C(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc(OC)c1OC 223039754 ZAQYXCFOJXFXJQ-UHFFFAOYSA-N 443.525 2.933 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)c1 225592008 AWXXHTWFRRCGCA-AWEZNQCLSA-N 430.592 2.650 0 40 IFAB COc1cccc(OC)c1CNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 226035716 KWYKFQBEAYGHRR-UHFFFAOYSA-N 447.340 2.948 0 40 IFAB O=C(c1ccncc1)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)nc2C1 247952988 UGDAXLDIUINBEU-KJNZLNQQSA-N 447.539 2.875 0 40 IFAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccccc1 408586442 AAUVGDQXIKAYKU-OAHLLOKOSA-N 438.933 2.617 0 40 IFAB COc1cc(C(=O)N2CCN(C(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)CC2)ccc1C 519288912 LOKHTLGHGYHKKS-SFHVURJKSA-N 447.601 2.626 0 40 IFAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)cc1 585270010 AYKRXJKPMYLSNO-HXUWFJFHSA-N 428.529 2.568 0 40 IFAB O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1)c1ccco1 3408105 VPRQNJYOYHAIJU-UHFFFAOYSA-N 429.454 2.740 0 40 IFAB COCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 4400847 QPTATLUOHZCVMR-IBGZPJMESA-N 449.598 2.815 0 40 IFAB Cc1ccc(C(=O)NCCSC2CCCCC2)cc1S(=O)(=O)N1CCOCC1 7881159 IFDFNZYAVNMGAN-UHFFFAOYSA-N 426.604 2.812 0 40 IFAB Cn1c(CCC(=O)Nc2nccs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9198689 IJJUIPNYEAWTBU-UHFFFAOYSA-N 433.559 2.776 0 40 IFAB COC(=O)c1cc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc(C(=O)OC)c1 9283279 OKYUWSJLGLYZOK-UHFFFAOYSA-N 426.454 2.776 0 40 IFAB CCCCN(C(=O)CN1c2ccccc2CC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9461413 LQZJSCWYBUHZTH-KRWDZBQOSA-N 441.576 2.749 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 9509281 IDONSMYBCKOYLO-UHFFFAOYSA-N 449.485 2.653 0 40 IFAB Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)nc2n1 9511204 USCHYPGJLLLCNH-UHFFFAOYSA-N 436.497 2.819 0 40 IFAB COc1cccc(-c2nc(SCC(=O)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 9517572 LFRKIFHNNFEKKE-UHFFFAOYSA-N 448.504 2.678 0 40 IFAB CC(C)(C)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O 9667455 JRFLZZNREPUXST-GOSISDBHSA-N 443.569 2.793 0 40 IFAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9865569 AORXCFTVLMHVAT-UHFFFAOYSA-N 440.529 2.544 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 10142552 YMDAJRGOXPGXGJ-UHFFFAOYSA-N 430.574 2.977 0 40 IFAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 10517243 SKAZKCCOXVBHCF-UHFFFAOYSA-N 441.473 2.645 0 40 IFAB CC(C)CCNC(=O)NC(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 11466997 HPFNONIVSRCVSS-UHFFFAOYSA-N 443.595 2.790 0 40 IFAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c21 12228465 NMJJBYBQOHUALU-UHFFFAOYSA-N 442.523 2.548 0 40 IFAB CC(C)OCCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232964 QJKMXQBTJYEHPE-MRXNPFEDSA-N 427.530 2.550 0 40 IFAB O=C(NCCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc2c(c1)OCO2 12374746 CZRQLEXQWGMKMT-UHFFFAOYSA-N 448.357 2.644 0 40 IFAB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1C[C@@H]1CCCO1 12638066 FOXBHDGVQKGIBE-SFHVURJKSA-N 448.541 2.574 0 40 IFAB COc1ccc(CN(C)C(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1F 12752261 TXQDXAYNCAPLLS-UHFFFAOYSA-N 433.911 2.904 0 40 IFAB COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c(OC)c1 12761845 CKWBPENQXJTEPD-UHFFFAOYSA-N 436.512 2.949 0 40 IFAB O=S(=O)(N1CCCC1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 12771656 BSTKVJUOKOQSDT-UHFFFAOYSA-N 447.561 2.960 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 12804926 VKWAIRXJRQCDMP-YJYMSZOUSA-N 437.452 2.514 0 40 IFAB Cc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cc1 13040680 PDWKLCYFETYZDH-OAQYLSRUSA-N 432.542 2.776 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c(C)c1 13135761 SYSLVXVLEMBQFP-UHFFFAOYSA-N 427.320 2.806 0 40 IFAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)Cn2cnc3sccc3c2=O)cc1 13984692 FZWYECDRDVHYOB-ZDUSSCGKSA-N 427.482 2.867 0 40 IFAB O=C(c1ccccc1SCc1ccsc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14242143 HKAGEZXPMWMGTG-KRWDZBQOSA-N 436.624 2.985 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 14246814 QYNMWKJTFJEORI-UHFFFAOYSA-N 449.960 2.838 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)NC(=O)N[C@@H]1c1ccccc1 14247142 ZMGYXCBJYTWOPB-HXUWFJFHSA-N 439.468 2.862 0 40 IFAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c(OC)c1 15858439 RQHSDVWESDBQMT-NSHDSACASA-N 438.889 2.922 0 40 IFAB Cc1cc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c2c(C)nn(-c3ccccc3)c2n1 17096554 HJQCIVCIIHFASS-UHFFFAOYSA-N 429.528 2.729 0 40 IFAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)c1ccc(Cl)cc1 19240611 PCFBVGHNNVTGIP-UHFFFAOYSA-N 439.834 2.665 0 40 IFAB COCC(=O)N1CCC[C@@H](c2cc(O)nc(C3CCN(Cc4ccsc4)CC3)n2)C1 19592788 FUQZUWBRFAXNIV-GOSISDBHSA-N 430.574 2.976 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2S(=O)(=O)N2CCCC2)c1 19689736 QAGLVSYXHBUHLL-IBGZPJMESA-N 431.562 2.696 0 40 IFAB COc1cc2c(cc1CCC(=O)N1CCO[C@H](c3ccc4c(N)nc(C)nc4n3)C1)CCC2 19704804 YYLUTDHRQHBSMY-QFIPXVFZSA-N 447.539 2.945 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 19709563 GMBGNNYRPDKSJQ-GOSISDBHSA-N 448.571 2.951 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1C 20008608 BSPHNZYAQCPSSU-HXUWFJFHSA-N 428.510 2.803 0 40 IFAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 24839501 CDBPEAQBEBTEPO-UHFFFAOYSA-N 442.493 2.802 0 40 IFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1n[nH]c(=O)c2ccccc12 25606839 QUWFXJBJNLFGES-UHFFFAOYSA-N 432.402 2.760 0 40 IFAB COc1ccc(Br)c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)c1 26056396 PZBGOTDVKSTYPC-UHFFFAOYSA-N 433.349 2.700 0 40 IFAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C(C)C)cc1 29317279 NYDZFCRQVUNKMA-OAQYLSRUSA-N 441.503 2.573 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 32863099 BXDSZUQZJPYNIE-INIZCTEOSA-N 447.557 2.846 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)c(OC)c1 32891454 ZJYOQDKWXXDJQV-QGZVFWFLSA-N 431.876 2.560 0 40 IFAB CCN1CCN(Cc2ccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)CC1 32932412 IWTXGBCKLUHFIS-UHFFFAOYSA-N 427.545 2.780 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(C)c2c1Cc1cc(OC)c(OC)cc1-2 36366055 ICEAQJSRYDDPEB-SFHVURJKSA-N 435.480 2.523 0 40 IFAB COc1cc(C(=O)Nc2cc(C(=O)N3CCC(C)CC3)cn(C)c2=O)cc(OC)c1OC 36685879 JBLOHUGSYHOBAY-UHFFFAOYSA-N 443.500 2.536 0 40 IFAB CCN(CC)C(=O)Cc1cccc(-c2nn3c(CC(=O)N(CC)CC)nnc3s2)c1 41127023 MLYZXLPVELGTEA-UHFFFAOYSA-N 428.562 2.675 0 40 IFAB O=S(=O)(c1cccc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)c1)N1CCOCC1 49581366 JSTKZBOEXNTUEA-UHFFFAOYSA-N 449.536 2.805 0 40 IFAB COc1ccccc1CNC(=O)Cn1cnc2c(cnn2-c2cc(Cl)ccc2C)c1=O 57428333 RHTKHUZDRBXZSA-UHFFFAOYSA-N 437.887 2.869 0 40 IFAB Cc1c(C(=O)NCCS(=O)(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2 65490200 KFRKTMIYABWILZ-UHFFFAOYSA-N 430.526 2.865 0 40 IFAB COc1cccc([C@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1 67316953 NNQPICMHNTYMLE-HNNXBMFYSA-N 439.487 2.779 0 40 IFAB COc1cccc2sc(OC3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)nc12 90594395 QLELRUHBKMTLMB-UHFFFAOYSA-N 433.511 2.715 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099597 ZWLDBYMBWNRDLB-BYICEURKSA-N 439.530 2.992 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCN(S(=O)(=O)CCOc2ccccc2)C1 96120143 JUAQJBFGZFPECM-SFHVURJKSA-N 429.947 2.597 0 40 IFAB CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935724 KQTAJQABUFCAQB-ULCGGAOLSA-N 440.552 2.562 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220048504 ZYVLPOIQPQVKCO-UHFFFAOYSA-N 430.448 2.975 0 40 IFAB COC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 224021991 NLPCFRXQCKDYEY-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 224446598 LDJLWLRJNIVULF-AWEZNQCLSA-N 440.949 2.996 0 40 IFAB CN(c1ccc(I)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224828162 FJGILXPFPHHUKK-UHFFFAOYSA-N 431.251 2.888 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)c1cccs1 248381479 TXWPDEXWFLRQQI-SMASLZHESA-N 427.526 2.845 0 40 IFAB CN(C)CCOc1ccccc1C(=O)N1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 257287474 PQDSUJLRJOBUND-HSZRJFAPSA-N 435.528 2.636 0 40 IFAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)N(C)C)c1 260834674 NSGUSUXPRFXUMA-QGZVFWFLSA-N 447.557 2.565 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 408559296 VAGJJHNUORPSER-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)cc1 408666030 NJIBEULQERVFTG-UHFFFAOYSA-N 426.469 2.832 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 408701535 ZKXVGFAIZHKCDA-UHFFFAOYSA-N 431.558 2.931 0 40 IFAB Cc1nonc1NC(=O)CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 575444509 NMGSXYACZLTLJF-UHFFFAOYSA-N 431.481 3.450 0 40 IFAB COc1ccc(-c2ccc3c([C@H]4CN(C(=O)Cc5nc(C)no5)CCO4)ncn3c2)cc1 585113177 XBZHDQVOTTUVDM-HXUWFJFHSA-N 433.468 2.844 0 40 IFAB CC(C)c1nc(S(=O)(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cn1C 1776008305 APIYOKIYLUSOEJ-UHFFFAOYSA-N 433.456 2.584 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C)cc1 1848352694 QCWZYRSGABEQFG-QFIPXVFZSA-N 437.540 2.825 0 40 IFAB COc1ccc(CN[C@@H]2C[C@H](C(=O)N3CCCC3)[C@@H](O)[C@H]2c2cnc(C(C)C)[nH]2)cc1 2332241837 QHVQJLIUNAXLHY-YVNJGZBMSA-N 426.561 2.787 0 40 IFAB Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 930448 NDDWRKMEZGLZJX-UHFFFAOYSA-N 449.536 2.521 0 40 IFAB COC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 4400801 BIMSTZCCZSBBOL-UHFFFAOYSA-N 438.480 2.778 0 40 IFAB CCOc1ccc(CN2C(=O)[C@]3(SC(NC(C)=O)=NN3C(C)=O)c3ccccc32)cc1 8843717 WMSLQGPXOIKTDN-JOCHJYFZSA-N 438.509 2.787 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2nnc3ccccn23)cc1 9245887 XBUQGHRJFQCKGP-UHFFFAOYSA-N 435.509 2.875 0 40 IFAB Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 9269405 YEPISOALXVRNDB-RTWAWAEBSA-N 441.553 2.967 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 9465535 UGNRKHIOKZKNKG-UHFFFAOYSA-N 429.476 2.807 0 40 IFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9670259 BRRCVJHRJKCSPS-UHFFFAOYSA-N 428.470 2.732 0 40 IFAB Cc1ccc(CN2N=C(c3ccc(Cl)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 9707488 IMUAVAZYTFGXJU-UHFFFAOYSA-N 448.914 2.820 0 40 IFAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 9791388 HBRDXVCHXGNFBI-VBKZILBWSA-N 433.530 2.863 0 40 IFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 9962803 PNXKQLCEBMQJOA-UHFFFAOYSA-N 436.468 2.946 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)C1 10511373 IEWVTFRMKQTRDJ-HNNXBMFYSA-N 436.555 2.763 0 40 IFAB CC(C)CCn1c2c(O)nc(=O)n(C)c2n2c(-c3ccc(Br)cc3)nnc12 10964323 HEHQJVXEZPSFSK-UHFFFAOYSA-N 431.294 2.959 0 40 IFAB Cc1cc2c(cc3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)nc(C)n32)s1 12088750 ABZJRLRTZJPNKF-UHFFFAOYSA-N 439.516 2.815 0 40 IFAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 12233426 WYAULMXDSRORSX-LBPRGKRZSA-N 428.474 2.853 0 40 IFAB CCCCNC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12517523 PCPMISGLAIYDCI-UHFFFAOYSA-N 441.937 2.894 0 40 IFAB CC(C)c1ccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 12551092 DSUBWDFMTZPWLN-UHFFFAOYSA-N 441.601 2.511 0 40 IFAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O 12753538 DLGOVOFIWNHVBZ-HZPDHXFCSA-N 426.517 2.839 0 40 IFAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12860317 SDPWABRWYXBXOL-FQEVSTJZSA-N 433.961 2.666 0 40 IFAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)cc1 12894144 UHQGAHOMMGNWMW-UQWVPHONSA-N 436.464 2.638 0 40 IFAB C[C@@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)c1nc(N)nc(N(C)C)n1 12900622 RBEGLPGEZVPVCV-CYBMUJFWSA-N 429.554 2.596 0 40 IFAB COc1ccc(-c2n[nH]c(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 12975076 LPNJAGHIDBFGLN-UHFFFAOYSA-N 427.486 2.517 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)NC[C@H](c3cccs3)c3c[nH]c4ccccc34)cnc21 14050831 NQHBGTXLGKFZFS-INIZCTEOSA-N 432.509 2.621 0 40 IFAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 14942682 ZCFZCKNCVUKUGE-SXYIGIQMSA-N 447.601 2.890 0 40 IFAB O=C1N[C@H](c2ccccc2OC(F)F)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 15906347 OPLFHFWZRUBNGY-PBFPGSCMSA-N 431.317 2.787 0 40 IFAB O=C(CC1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19014733 WWQSSMRHLADREB-OAQYLSRUSA-N 428.577 2.941 0 40 IFAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1nccnc1N 19143220 CLISLIPJIWRIFB-UHFFFAOYSA-N 426.454 2.760 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCC(=O)N2)C1 19449055 XAFSMKHRVVTISY-NTKDMRAZSA-N 439.581 2.980 0 40 IFAB CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1 19458697 YLCQTVRZVARRAE-AVIJNYRZSA-N 440.540 2.973 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2c(C)noc2C)C1 19696088 CDWAWAIILJHQPL-OAHLLOKOSA-N 442.541 2.836 0 40 IFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)COc3ccccc3)nc(N(C)C)c2C1 19710346 VJEFTZRTHJKZRD-OAQYLSRUSA-N 437.544 2.580 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)c1c[nH]c2ccccc12 21372758 DFUCTWNJSALKFG-HNNXBMFYSA-N 442.493 2.617 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 22521497 WAWVJTYZQHXDIX-MRXNPFEDSA-N 442.541 2.660 0 40 IFAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1 24747436 GIQKITJEORZIIW-KRWDZBQOSA-N 429.542 2.799 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2o1 24775892 DQFQUDUZTZFDGQ-INIZCTEOSA-N 430.530 2.592 0 40 IFAB COc1ccc(N[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N(C)C 24983850 NTQXSUBUTRAWEU-HNNXBMFYSA-N 448.545 2.711 0 40 IFAB CC[C@@H](C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 32879849 WZRFHYJAHXNIEQ-QGZVFWFLSA-N 440.569 2.993 0 40 IFAB NC(=O)[C@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 40151681 MCWQNPKDOFHFAZ-JOCHJYFZSA-N 435.524 2.594 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)cc1 40389043 NANBQBIUWYNYBP-XJKSGUPXSA-N 425.489 2.612 0 40 IFAB CCc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 44904826 KVILQESSNDGQAK-UHFFFAOYSA-N 426.542 2.826 0 40 IFAB CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1 49406461 QJKYDXAMSCXTKV-UHFFFAOYSA-N 447.495 2.593 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CC1)O2 72328009 QHKMHFQSFOUDOV-LWTKMMONSA-N 441.572 2.952 0 40 IFAB COCCN1CCN(c2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)CC1 72396619 ACKHRTPYAZSFNN-UHFFFAOYSA-N 435.532 2.562 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCN([C@H](C)CO)CC1 79016391 PEVZOJZDZCOPIT-NEPJUHHUSA-N 449.187 2.537 0 40 IFAB Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccncc3Cl)C2)ccc1-n1cncn1 95435120 JXHUFZRAWCUBMR-INIZCTEOSA-N 438.919 2.906 0 40 IFAB Cc1oc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cc1S(=O)(=O)N1CCCC1 95464070 DVYDEQVZXASQMN-UHFFFAOYSA-N 442.877 2.742 0 40 IFAB CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1ccc(Cl)cc1)Cn1ccnc12 96144655 LOOACTNFRXAZPH-QGZVFWFLSA-N 431.924 2.983 0 40 IFAB O=S1(=O)CCN(C2CCN(Cc3ccc(Br)c4cccnc34)CC2)CC1 97094641 GEFGONSKVSBFEY-UHFFFAOYSA-N 438.391 2.692 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CCCCCC3)C2=O)cc1OC 97993236 CCSYLHAFTJVFBH-XMHGGMMESA-N 447.557 2.732 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(C3CCCC3)C(=O)C2)Nc2ccccc21 100118106 AFEFUUYQHDKDIZ-XHFAZCCNSA-N 436.556 2.588 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N3CCC(N(C(C)=O)c4ccc(F)cc4)CC3)C2=O)cc1 100188831 TZERLAXXVDIVNY-QFIPXVFZSA-N 439.487 2.984 0 40 IFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cc1 107271919 CNJZDKGJBSXVDW-UCNVEGJOSA-N 429.542 2.977 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223546515 MPXTYAUATSTAKL-MRXNPFEDSA-N 430.526 2.982 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223573508 VDKDAFNKFGDWFH-UHFFFAOYSA-N 446.960 2.912 0 40 IFAB COc1ccc(CNC(=S)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 225209765 HBXXCBHSPLIGBK-UHFFFAOYSA-N 435.571 2.975 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 225408854 HYJRLLPQPLDURQ-UHFFFAOYSA-N 437.521 2.820 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257328309 XFCGHXJGUCDIKY-HNNXBMFYSA-N 428.876 2.587 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4cccc(C)c4)C[C@@H]2C3)cc1 306129291 HZVQACIDIBIEPH-ROUUACIJSA-N 431.496 2.792 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408612774 YSFAWSPYSIAVJV-AWEZNQCLSA-N 426.922 2.979 0 40 IFAB COC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 408619260 GYHSTAFQTYXZSP-FQEVSTJZSA-N 432.586 2.996 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408657303 JJBPTBIMRDIXGJ-XRJOUIEWSA-N 430.888 2.653 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408670296 XBANLHVZYRBZRO-AWEZNQCLSA-N 429.860 2.833 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1C 575612045 IITVVKPZHWQILA-CQSZACIVSA-N 442.335 2.788 0 40 IFAB C[C@]1(O)CCN(C(=O)c2ccc(OCCN3CCCC3=O)cc2)C[C@@H]1Oc1ccccc1 585262223 IZWPVUWKAYNNCK-DHLKQENFSA-N 438.524 2.732 0 40 IFAB O=C(NCc1nnnn1-c1ccccc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 593533332 XYXKVAAKDAABOH-INIZCTEOSA-N 448.462 2.941 0 40 IFAB CCOC(=O)N1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)CC1 1565524760 MZUYIRJRVQHVNE-UHFFFAOYSA-N 431.558 2.599 0 40 IFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)n1)CCC2 1888876455 QZGINFCALKPZRS-GASCZTMLSA-N 428.334 2.640 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 2646984 QSXXLCKOTYSNNV-FQEVSTJZSA-N 430.526 2.947 0 40 IFAB Cc1cccc2c(=O)n(CCC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cnc12 8748250 DQGBMYXDEPHDJV-UHFFFAOYSA-N 442.522 2.747 0 40 IFAB CCn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nnc1-c1ccncc1 9096342 YLNSLBZZQYCGSM-UHFFFAOYSA-N 438.557 2.810 0 40 IFAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](CCSC)C(=O)O 9339666 FCLVNKXOEPWSHL-OLCHLOJWSA-N 428.510 2.789 0 40 IFAB biogenic C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 9460289 YTHKGKVPRYVBRQ-WMLDXEAASA-N 449.960 2.717 0 40 IFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O 9783218 KEXHFAZYDLLCFR-FYSMJZIKSA-N 437.496 2.882 0 40 IFAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC[C@H]1COc2ccccc2O1 10214181 MNYGICPDDYTZDR-HNNXBMFYSA-N 436.420 2.645 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2CCC(C)C)n1 12231650 LTBXLCSECYIGNX-UHFFFAOYSA-N 438.507 2.933 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 12542207 ZBLHXHBSBPRUOC-LJQANCHMSA-N 442.585 2.620 0 40 IFAB C[C@@H]1C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 12633706 KSCVZXBKXLPUNV-OAHLLOKOSA-N 444.894 2.985 0 40 IFAB COCCNC(=O)[C@@H](c1ccccc1F)N(C(=O)C(=O)NC1CCCC1)C1CCCCC1 12640761 NOALBDAZZSVZKD-OAQYLSRUSA-N 447.551 2.850 0 40 IFAB COC[C@@H](C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3F)no2)c1C 12847721 UTJFFHZTSYTJPL-GFCCVEGCSA-N 429.452 2.697 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 12913558 QSOYGJRNGJCUTE-LBPRGKRZSA-N 430.885 2.810 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 13005528 QRSBZXURSRPHST-CJNGLKHVSA-N 445.379 2.779 0 40 IFAB CC(C)CCN(C(=O)CN(C)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13069053 CMWGQOYMGNFMLL-UHFFFAOYSA-N 449.555 2.683 0 40 IFAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCN(C)CC3)cc2)cc1 13114891 PMUVWYJNIWMCDZ-UHFFFAOYSA-N 431.558 2.591 0 40 IFAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 14817090 KFJLAEAWWOXFSY-RMKNXTFCSA-N 438.452 2.961 0 40 IFAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15028493 ZNPRXPKWYHFHFB-UHFFFAOYSA-N 440.974 2.883 0 40 IFAB S=C(NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NC1CCCCC1 16490585 CDICFXCQIYIYCC-UHFFFAOYSA-N 428.566 2.576 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 18218969 CSXKQWNXOFDHAJ-UHFFFAOYSA-N 442.459 2.758 0 40 IFAB COc1ccccc1CCC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693744 CENTUWOABMJGCK-GOSISDBHSA-N 434.544 2.900 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3=O)cc1)C2 19707398 YYWOWMKQSVRXQW-QFIPXVFZSA-N 448.571 2.887 0 40 IFAB COc1ccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(OC)cc4)nn23)cc1 22720546 JKSDFIQORSAZIT-UHFFFAOYSA-N 438.469 2.640 0 40 IFAB COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc(C)nn3C)sc2c1 22768228 UBPJUJSQURZYMD-UHFFFAOYSA-N 429.546 2.716 0 40 IFAB CCCNC(=O)CN1CCN(Cn2nc(-c3ccc(N(CC)CC)cc3)oc2=S)CC1 22924486 LKEAEXLLAPSAHU-UHFFFAOYSA-N 446.621 2.820 0 40 IFAB Fc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22929041 GYHPIIOOROCYOB-NFBKMPQASA-N 436.535 2.898 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)c1)c1ccccc1 25290416 VAPICHTUTSYZMB-QHCPKHFHSA-N 444.535 2.576 0 40 IFAB COc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1NS(C)(=O)=O 25599952 OCKIHEFAGFCMSS-UHFFFAOYSA-N 445.545 2.845 0 40 IFAB COC(=O)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 28467079 IBMSVYIXYROWOT-DOXZYTNZSA-N 438.427 2.742 0 40 IFAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)Cc1ccccc1 29918185 VLSNOFAKOPXVJL-OAQYLSRUSA-N 429.586 2.692 0 40 IFAB COc1ccc(OC)c2c1CN(C(=O)/C=C/c1cc(OC)c3c(c1)OCCO3)C[C@H]2O 32902687 FEOYGBJURFZQHM-IEXSPKMKSA-N 427.453 2.573 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3CCCc4cccc(F)c43)CC2)cc1 32909059 SSADUPQQZIJTOF-UHFFFAOYSA-N 445.560 2.810 0 40 IFAB COc1cc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)cc(OC)c1OC 32930019 VXFKBLGWUSQNHJ-GOSISDBHSA-N 447.513 2.782 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccc(Cl)cc2)Oc2ccccc21 38848564 KXUJHNVRTYODOZ-GOSISDBHSA-N 440.974 2.917 0 40 IFAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 40135679 MURZPZTYTNPTLQ-DZGCQCFKSA-N 435.933 2.867 0 40 IFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(C(=O)OCC)cc3)c3ccccc3n12 57522663 GOVYOZFROTVJQI-UHFFFAOYSA-N 433.468 2.812 0 40 IFAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCN(S(=O)(=O)N(C)C)C3)c2)cc1 72390554 PUHKPZLIINHWSP-QHCPKHFHSA-N 429.586 2.791 0 40 IFAB CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 72392019 LVPVDECLZUAJKD-SFHVURJKSA-N 430.549 2.680 0 40 IFAB CN(C)CCOc1cc(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 95448404 ICJFSNROCMZAIY-QGZVFWFLSA-N 447.333 2.776 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@H]1CSCN1C(=O)/C=C/c1ccccc1 97124310 ACNPTVFJBCKZJN-RQWLHQTBSA-N 436.533 2.729 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@]5(CN(C(C)C)C(=O)[C@H]35)O4)CC2)nc1C 100186197 PCNUZSSDYQQJGY-DDOIHHOZSA-N 443.569 2.551 0 40 IFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 101165656 YIFYCHUIYSPJQG-IAGOWNOFSA-N 442.273 2.689 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccccc3C)C2)cc1 108401380 LHFDQHIHWFTAMD-GOSISDBHSA-N 432.542 2.600 0 40 IFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC 206801700 QQOHZBODTQJWKT-XJKSGUPXSA-N 433.432 2.687 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 222635194 VCRQIYOLJHRYMJ-GFCCVEGCSA-N 428.457 2.625 0 40 IFAB COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 222647620 XIDUQAIJJQKRHK-UHFFFAOYSA-N 448.541 2.620 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3=O)ccc21 223868076 SGRRFYAIQGXOKI-UHFFFAOYSA-N 441.553 2.587 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 226060391 MYMRWQKLOQYRRD-UHFFFAOYSA-N 448.541 2.759 0 40 IFAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc(Cl)c1)S(C)(=O)=O 260908000 VYDKAPXVEBYNTH-IRXDYDNUSA-N 438.933 2.841 0 40 IFAB CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(OC)cc3)CC1)COC2 306134451 NNUMVSMBRGXGKG-QGZVFWFLSA-N 427.549 2.628 0 40 IFAB Cc1nc(CN2CCO[C@]3(CN(C(=O)C4CCCC4)C[C@@H]3c3cccnc3)C2=O)cs1 306136150 PKVRCKOREUQQMZ-OFNKIYASSA-N 440.569 2.760 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 408600663 BUVZLPAOHUFHCQ-QGZVFWFLSA-N 434.558 2.756 0 40 IFAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)CCc2ccccc2Cl)CCO1 585282490 DZFBIPNGXJOIDS-JOCHJYFZSA-N 434.895 2.964 0 40 IFAB O=C1[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(CCO)C3)CCN1c1cccc(Br)c1 1686304117 PIKRGMAAPFNWOX-BZSNNMDCSA-N 436.350 2.889 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 2648675 WRMYXRUQVYEAJQ-UHFFFAOYSA-N 436.917 2.981 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1 3524072 KMMGBSGPZIEUHQ-UHFFFAOYSA-N 440.319 2.667 0 40 IFAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1C[C@@H]1COc2ccccc2O1 3543033 YLRGYKRQDVEQGK-CQSZACIVSA-N 425.514 2.874 0 40 IFAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 4090972 PENOYUJZFQLLOZ-LFYBBSHMSA-N 438.553 2.890 0 40 IFAB CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)CC1 4143877 YXAMUPZTXUTTFO-HNNXBMFYSA-N 430.835 2.762 0 40 IFAB COc1ccc2cc(CN(Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 6282820 UHEZEDBFFHOQKM-HXUWFJFHSA-N 438.532 2.647 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 8720532 NMQBIZNOZOJTPW-UHFFFAOYSA-N 425.510 2.633 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2c1 9341256 FCWSJWNUMDENRG-SFHVURJKSA-N 441.553 2.936 0 40 IFAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 9414181 QMJDRFFHQIYNNU-UHFFFAOYSA-N 439.497 2.960 0 40 IFAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9416443 SKMKDNHNOBEKQT-CYBMUJFWSA-N 427.486 2.621 0 40 IFAB CCCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570205 CWXBLAIRNDZMTB-UHFFFAOYSA-N 445.585 2.747 0 40 IFAB COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 9782711 MSAHBZSAHSLWLT-MRXNPFEDSA-N 430.526 2.824 0 40 IFAB O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031345 YPZQKGZKPLBIEU-CQSZACIVSA-N 431.894 2.692 0 40 IFAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc(F)cc3)cc2)CC1 12115096 SLEXFYNZNWCGCU-UHFFFAOYSA-N 444.488 2.815 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)n4ncc5ccccc5c4=O)C3)cc2n1 12134623 IZIXTYHINHHUOD-NVXWUHKLSA-N 446.511 2.674 0 40 IFAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCc1ccccc1 12233073 FUHOKFUVUHUIIE-SFHVURJKSA-N 431.521 2.978 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccco2)C3)cc1 12499908 XHMWDPZTFJRMSJ-AYHJJNSGSA-N 431.514 2.742 0 40 IFAB COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 12637368 SWDPBTNMTXOOHB-INIZCTEOSA-N 438.571 2.737 0 40 IFAB COC(=O)c1cc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)n2)c[nH]1 12892089 RHEMOSZWUSACHX-ZDUSSCGKSA-N 440.481 2.925 0 40 IFAB O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12916724 ZNDPBRCVNMTXTJ-SFHVURJKSA-N 441.534 2.996 0 40 IFAB CCCN(C(=O)/C=C/c1cccc(OC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13039548 CVHYMAXZGRPFTR-OUKQBFOZSA-N 434.496 2.632 0 40 IFAB COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13040889 RNKFLRLOUGUTHL-UHFFFAOYSA-N 442.459 2.790 0 40 IFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)c(C)c2)no1 13505885 NDTSCOGMFVKAKQ-LJQANCHMSA-N 442.516 2.647 0 40 IFAB C[C@@H](Sc1nnc(CN2CCOCC2)n1-c1ccccc1)C(=O)Nc1nccs1 13945811 SUMBHVSOGHNTAN-CQSZACIVSA-N 430.559 2.675 0 40 IFAB CCCn1c(=O)n(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 14198643 DZYJXBWDEHNBBG-MRXNPFEDSA-N 429.542 2.884 0 40 IFAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14371595 HEAFMPDJUYDKGA-UHFFFAOYSA-N 443.500 2.946 0 40 IFAB COc1ccc(CN(C)[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 15298090 LTTBTXVKVDATDH-GFCCVEGCSA-N 439.434 2.696 0 40 IFAB C[C@H](OC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C(=O)Nc1cccnc1Cl 16925591 IXPZLMTVCJUUKL-AWEZNQCLSA-N 442.859 2.555 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19572169 YVMGDTZIQDJLOX-IBGZPJMESA-N 432.528 2.897 0 40 IFAB O=C(NCCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(NC(=O)C2CC2)cc1 21682968 UUBJGLCSJTXOPI-UHFFFAOYSA-N 441.553 2.622 0 40 IFAB COc1ccccc1Nc1nc(N)nc(COC(=O)CSCc2c(C)noc2C)n1 21736168 NGQCGEINHQMWCY-UHFFFAOYSA-N 430.490 2.787 0 40 IFAB CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@H](CCCCN)C(=O)OC(C)(C)C 22048192 SLEOTGKREMTOTD-MRXNPFEDSA-N 430.586 2.811 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCC1=CCCCC1 22249190 AUFWUSNMBKDJPZ-UHFFFAOYSA-N 442.965 2.746 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1C 22911942 OXUSWGWGWUNXAB-KRWDZBQOSA-N 441.528 2.578 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 23762221 MSFCMVJUJGWJLJ-QFBILLFUSA-N 437.496 2.606 0 40 IFAB COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)ccc1O 27988590 QCKNOIILUDZJLU-RLFYNMQTSA-N 428.338 2.644 0 40 IFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(Br)c2c(c1)OCO2 28924274 SAFZIICRDYLRHM-GOSISDBHSA-N 432.274 2.515 0 40 IFAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccn2)CC1 30592201 MXSWXCFUHPFXJZ-UHFFFAOYSA-N 444.948 2.873 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 32123956 BNRCGFXRASFFRO-AVRDEDQJSA-N 448.479 2.580 0 40 IFAB biogenic COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)C[C@@H]2CCS(=O)(=O)C2)C3)cc1 36719605 BZNSTISJBPZJRT-KFKAGJAMSA-N 444.557 2.604 0 40 IFAB O=C(c1cccc(F)c1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 41108725 VEBHLGUHWZEDJD-UHFFFAOYSA-N 449.511 2.915 0 40 IFAB Cc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49402766 RZZFSXRXHYBJAP-UHFFFAOYSA-N 433.917 2.615 0 40 IFAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc1 72307391 KQKUUZPEAQGKCC-AWEZNQCLSA-N 431.498 2.755 0 40 IFAB COc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1 72330991 MHGNDOBRWPYHLB-UHFFFAOYSA-N 441.221 2.861 0 40 IFAB CN1CCC(CNS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)CC1 72345810 AESLBUHWGUKVPQ-QFIPXVFZSA-N 427.570 2.724 0 40 IFAB Cc1ccn(C[C@@H](C)C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2cccnc2)n1 72351541 NVBIGIMGQYRNHT-WZONZLPQSA-N 431.540 2.802 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCc2ccc(CN(C)C)c(F)c2)C(C)C)c1 89791081 KMHJKOACIZBMKN-JOCHJYFZSA-N 445.535 2.975 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)sc1Cc1ccccc1 96232388 NDLXBFUDLVBLDS-KRWDZBQOSA-N 448.508 2.930 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 224150594 NTBNOSNNWUFHBV-OAQYLSRUSA-N 445.585 2.705 0 40 IFAB CCS(=O)(=O)N(CC(=O)NC(C)(C)Cc1ccccc1)c1ccc2c(c1)OCCO2 224879525 JMRUUUXEVWXJBR-UHFFFAOYSA-N 432.542 2.751 0 40 IFAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(F)c(F)c1 225217829 DHQQSCAHVUBENN-UHFFFAOYSA-N 438.496 2.595 0 40 IFAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@H]1O 245228776 FKJUUKVGJGPQSF-VEYVBMQYSA-N 431.485 2.661 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 245229820 GOVUQBBUCNXHLN-ACTFIFLWSA-N 428.510 2.837 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCn2cnc3ccccc32)(c2ccccc2)CC[C@@H]1O 257214851 CNRXHIMAYDLZNZ-GVUKDKGQSA-N 448.567 2.920 0 40 IFAB COc1cc(CCC(=O)N2CCC3(CC2)CO[C@@H]([C@@]2(C)CC[C@H](O)C(C)(C)O2)C3)on1 257329527 XKIKUSGTDPSXLQ-NJNPRVFISA-N 436.549 2.722 0 40 IFAB Cn1cncc1CCC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 525997531 MSAMYCGIFLVNTG-UHFFFAOYSA-N 432.524 2.916 0 40 IFAB CCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2)CC1 549148182 BGFLIPLBIRDGKQ-UHFFFAOYSA-N 447.543 2.716 0 40 IFAB CC(=O)N[C@@]12CCNC[C@@H]1[C@@H](c1ccccc1)N(S(=O)(=O)Cc1cccc(Cl)c1)C2 585260974 HUUKAADTSWLGOV-YPAWHYETSA-N 447.988 2.711 0 40 IFAB Cn1ncc(C(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1Cc1ccccc1 1618130522 OXEOVWQDDASXMD-GOSISDBHSA-N 440.544 2.909 0 40 IFAB C[C@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)Cc2ccccc21 1675890327 AUBODBKAZIISMY-SFHVURJKSA-N 443.569 2.678 0 40 IFAB CC(C)(C)c1cn2nc(N3CCCN([C@H]4CCN(CC(F)(F)F)C4=O)CC3)ccc2n1 2298051608 DGTADWPJKHSHCZ-HNNXBMFYSA-N 438.498 2.702 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1ccc(Cl)cc1 2225513 UJHXXLFVTXHFBH-WBVHZDCISA-N 430.888 2.857 0 40 IFAB CCOC(=O)N1CCN(C(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)CC1 8661768 QTTBRELASSYDPP-UHFFFAOYSA-N 432.546 2.920 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2cc(C)n(C3CC3)c2C)CC1 9578788 ZQEINPNXGXVBFN-VMPITWQZSA-N 432.546 2.591 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 9668197 DIDJBQWMNNSBSV-HFPIOELMSA-N 434.602 2.951 0 40 IFAB Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 10021770 YKFUUACFNZLTPW-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB NC(=O)c1oc2ccccc2c1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 10186828 VMFYAAHGMRRLOP-UHFFFAOYSA-N 433.511 2.633 0 40 IFAB CCCCn1c(=O)n(CC(=O)c2ccc(Cl)s2)c(=O)c2c1nc(CO)n2CCC 10487478 OLOICELCMHRMDL-UHFFFAOYSA-N 438.937 2.660 0 40 IFAB O=C(OCCOc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10793631 VDHJOLYHJXMDSG-UHFFFAOYSA-N 443.880 2.736 0 40 IFAB O=C(Nc1nc(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)c1ccccc1 11835015 ZJJKVTONQIIGRL-UHFFFAOYSA-N 438.509 2.906 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Br)cc4)nc32)cc1 12080836 GXKCBGZBCWYARK-UHFFFAOYSA-N 440.257 2.646 0 40 IFAB CCCC[C@H](C(=O)c1ccccc1)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C 12419637 HRBSDSMVOCULSW-CYBMUJFWSA-N 433.306 2.810 0 40 IFAB Cn1c(=O)c2ccccc2n2c(COc3cccc(I)c3)nnc12 12562784 NFKHJKBIHFVEPR-UHFFFAOYSA-N 432.221 2.765 0 40 IFAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12631710 STSYDKZAZRNIJR-MCIONIFRSA-N 434.890 2.900 0 40 IFAB Cc1nc(COc2ccc(C(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)no1 12823951 UVSKQABTVXCQLP-UHFFFAOYSA-N 426.816 2.975 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cccc(OC)c1OC 12872150 WBGQNXNTMIHTOU-DHZHZOJOSA-N 426.469 2.975 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCOC 12888563 OMMMDYIFLSTSLG-SVJMLJPDSA-N 447.601 2.719 0 40 IFAB biogenic C[C@H](N[C@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13037958 FGYPYMKTRLRAIB-NEPJUHHUSA-N 426.336 2.774 0 40 IFAB COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c1 13137282 PYBJRKSZQXBPHS-UHFFFAOYSA-N 434.514 2.756 0 40 IFAB COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(=O)c1ccccc1C 13566295 SIFNVRDEUREUGK-UHFFFAOYSA-N 428.514 2.821 0 40 IFAB O=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(Cl)nc1 13592924 ZCIUDHREMOUVCP-UHFFFAOYSA-N 426.207 2.928 0 40 IFAB O=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2ccccc2)CC1 14199481 ZNAAIWYXMDPRFD-UHFFFAOYSA-N 427.295 2.735 0 40 IFAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCn2cnc3ccccc3c2=O)CC1 14682884 PXJJKLLJSCDLOS-UHFFFAOYSA-N 425.920 2.831 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)c1 14791391 LUIRGRRWBQZTIC-ZIAGYGMSSA-N 427.482 2.717 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc21 16119689 KJAQENXKIYNLFQ-CQSZACIVSA-N 429.494 2.736 0 40 IFAB CS(=O)(=O)c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c(S(C)(=O)=O)c1 16311148 WEQRKRZLZXNTFS-KRWDZBQOSA-N 426.560 2.726 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)CC1=O 18002853 ZUITVNADKZFKKA-INIZCTEOSA-N 425.485 2.544 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2-c2cccc(C)c2)NC(=O)N[C@@H]1c1ccco1 18476911 LHWYUUDGRSRIRO-QGZVFWFLSA-N 440.485 2.527 0 40 IFAB Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)Cn4ccnc4)CCO3)cc2)c1 19235365 BNXHZDQVHBRCBS-AREMUKBSSA-N 446.551 2.787 0 40 IFAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 19527808 VOMLVXLOULKBBU-UHFFFAOYSA-N 434.389 2.558 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)CCc3nc(C)no3)C2)c1 19694927 MMBJRDFJTMOFQI-KRWDZBQOSA-N 436.516 2.858 0 40 IFAB Cn1c(=O)c2ccc([C@H]3CCCN(Cc4ccccn4)C3)nc2n(Cc2ccccc2)c1=O 19743065 YZEFQROFEDUXEX-FQEVSTJZSA-N 441.535 2.918 0 40 IFAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 21636623 HOKVDNMJBJYNER-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB CCC[C@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 22208127 XSQRSHAXSDCJDV-KRWDZBQOSA-N 434.533 2.938 0 40 IFAB Cc1ccc(Oc2ccc(NC(=O)CN3CCN(CC(=O)N4CCCC4)CC3)cc2)cc1 22797014 QRZPLBMDFHXKMA-UHFFFAOYSA-N 436.556 2.966 0 40 IFAB CCC[C@@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@@H]1CCCO1 24959397 BOPQELSVVLSOTB-ZBFHGGJFSA-N 447.557 2.759 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(I)c1 27384720 APTKMHVNGGNTOI-NSHDSACASA-N 444.294 2.772 0 40 IFAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 28189483 XNOLHSIKDKKRLJ-UHFFFAOYSA-N 434.543 2.776 0 40 IFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1C 32850723 LMCHLBAMZWBMDG-INIZCTEOSA-N 433.505 2.581 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 33765315 ULGTXPLUUBXOKR-UHFFFAOYSA-N 438.267 2.864 0 40 IFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35375083 XFGCKMHBTHYXGS-XVRXDJILSA-N 447.535 2.771 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 58163353 FUCHKCSCJOPVTC-AWEZNQCLSA-N 425.913 2.813 0 40 IFAB CCOC(=O)c1csc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)n1 62001749 OABWOSZUWHATNA-UHFFFAOYSA-N 432.454 2.933 0 40 IFAB biogenic CCOC(=O)C[C@@H](c1cc(Br)ccc1OC)c1oc(CO)cc(=O)c1O 71279378 IMJQOZKIGAAFTA-ZDUSSCGKSA-N 427.247 2.694 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nc(-c4ccncc4)[nH]c3=O)CC2)cc1 72278436 GAJMMOKSZHHGKD-UHFFFAOYSA-N 445.523 2.624 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cn2c(=O)oc3ccccc32)c1C 84218785 NRRIWJJTUAJDOT-GOSISDBHSA-N 437.496 2.858 0 40 IFAB CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 84791115 YVRYEFIQBQKCPR-MZEUMTGBSA-N 444.479 2.768 0 40 IFAB Cc1nc(-c2cccc(CNC(=O)c3sccc3S(=O)(=O)N3CCCC3)c2)n[nH]1 89497141 FBLVNIAJJWXJOG-UHFFFAOYSA-N 431.543 2.556 0 40 IFAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nncn1-c1ccccc1 95457332 CITFVDDUXIDDBU-KRWDZBQOSA-N 438.513 2.503 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1 101416175 IKEATKONWUQSQP-ZWKOTPCHSA-N 427.848 2.671 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 103513890 BNQWFBYQJUWALC-ZRNYENFQSA-N 435.867 2.946 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N4CCc5ccccc54)CC3)on2)cc1 108257916 FMOVOHKWVLXTSN-UHFFFAOYSA-N 430.508 2.997 0 40 IFAB O=C(COc1cccc2cccnc12)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 223137281 IBCMTDWXFPXXNG-UHFFFAOYSA-N 437.521 2.987 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc4c(c3)OCO4)cn2)cc1 223383761 NKQAIVLBWNYTDR-UHFFFAOYSA-N 440.481 2.587 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccc3ccccc3c1)CN2S(C)(=O)=O 223623985 DJRITZJZVWBNIY-JOCHJYFZSA-N 440.521 2.870 0 40 IFAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)N2CCOCC2)C1 225765703 YISSZKJLHMMHPU-UKCJKJFHSA-N 444.553 2.807 0 40 IFAB CCOC(=O)[C@@]12C[C@@H]3[C@@H](O[C@@H]1CCN(C(=O)CCC(=O)O)C2)c1ccccc1OC3(C)C 257330352 XNZROKMUHCMZLJ-SXVFIEPFSA-N 445.512 2.950 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 260746112 RWSASQITQOECGM-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306138426 RXGWGZYRQUZFFH-NBGIEHNGSA-N 444.539 2.913 0 40 IFAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1cncc(Br)c1 390827092 DWHIRQPJYWMALI-UHFFFAOYSA-N 446.290 2.644 0 40 IFAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)CN1c1ccc2c(c1)OCCO2 533749881 IUPXJTBQCNEXPF-PKOBYXMFSA-N 446.507 2.852 0 40 IFAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@H]12 585109770 RUAFTAWRJPLNFQ-WPFOTENUSA-N 428.504 2.754 0 40 IFAB O=C1NC(=O)c2cc(NC(=O)N3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)ccc21 620428567 DZZVVUKOBSRNAM-LLVKDONJSA-N 427.848 2.501 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)Cc2ccccc21 643553592 ATIRLUVBPXRHEL-UHFFFAOYSA-N 432.528 2.803 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@H]2C1 1549160783 HMRJYHJBYKBIDB-GOSISDBHSA-N 428.439 2.676 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(Cc4ccc(F)c(C)c4)C[C@H]23)n1 1549161640 HQLUYAANPLDUSA-FQEVSTJZSA-N 425.508 2.908 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2COC2)C12CCN(Cc1cccnc1)CC2 1549168737 YWAPMLBWTLNAKD-QHCPKHFHSA-N 448.567 2.579 0 40 IFAB Cc1ccc2nc(CCC(=O)NCC3(O)CCN(c4ccnc5ccncc45)CC3)[nH]c2c1 2037880220 TZBRIFIPZUWXJM-UHFFFAOYSA-N 444.539 2.895 0 40 IFAB CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC(C)(C)C)ccc3OCC)nc12 2271538 YYOZWOPBAQVJSP-UHFFFAOYSA-N 447.561 2.752 0 40 IFAB CCOc1ccc(CN2C(=O)CC(=O)N(S(=O)(=O)c3ccc(OCC)cc3)C2=O)cc1 2328532 XQRFDZKTPKYNIK-UHFFFAOYSA-N 446.481 2.554 0 40 IFAB COCCNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 2624134 SSWODUCMENRNJH-UHFFFAOYSA-N 426.498 2.577 0 40 IFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc12 3375723 INOHFGIABFREOF-UHFFFAOYSA-N 437.481 2.914 0 40 IFAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 3446787 UCBFELSKNKJGSL-AWEZNQCLSA-N 441.509 2.933 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1C 3477430 PVBFNTJUYUUGHY-UHFFFAOYSA-N 430.526 2.749 0 40 IFAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCCn2ccnc2)cc1 6135049 VDMHTMODKAXXSI-JOCHJYFZSA-N 438.553 2.514 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2c(C)noc2C)c1 8692388 UMEUFRUKDZQPKI-UHFFFAOYSA-N 443.909 2.771 0 40 IFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)Nc1ccc(F)cc1Cl 9112311 DRXZKLSXTIAOHM-NRFANRHFSA-N 445.834 2.570 0 40 IFAB Cn1c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nnc1-c1ccccc1F 9263866 LBJFYWBMMIIMBW-UHFFFAOYSA-N 426.477 2.542 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@@H]3c1ccc(OC)c(OC)c1 9302725 ZUBLKCODVOFPPL-OAQYLSRUSA-N 438.480 2.926 0 40 IFAB COC[C@@H](C)n1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O 9507900 PMDUMVKNXLSGCA-CQSZACIVSA-N 438.509 2.681 0 40 IFAB Cn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)NC(C)(C)C 9615116 HJUWOVIPQJHMCF-UHFFFAOYSA-N 440.367 2.514 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@H]1c1cccs1 10391775 OOQCMDQGHNTYGM-INIZCTEOSA-N 431.470 2.570 0 40 IFAB CCOc1ncccc1C(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1 11695288 QNNFVZWVUDRFPU-UHFFFAOYSA-N 449.511 2.917 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(N2CCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 11780705 ASWPLAQPZQAHPE-CQSZACIVSA-N 429.546 2.954 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1cc2ccccc2oc1=O 12443230 JIIMCABTLPIHMM-UHFFFAOYSA-N 427.420 2.707 0 40 IFAB C[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 12476555 SGXZZQFEVWPVTI-QMMMGPOBSA-N 441.916 2.567 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 12555658 XKIBRDBGBDWMEE-UHFFFAOYSA-N 427.526 2.724 0 40 IFAB CCc1ccc(NCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 12757961 QJNHEAIBVKTFPQ-UHFFFAOYSA-N 437.949 2.974 0 40 IFAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14252412 ZAYJIVIRSNKPLR-IBGZPJMESA-N 448.972 2.864 0 40 IFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1 16215562 VKLWRJIYJHEAMY-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB O=C(NCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Br)o1 17824062 WMXGZNIHWACJJB-ZDUSSCGKSA-N 434.290 2.649 0 40 IFAB Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)Cn4ccnc4)CCO3)cc2)c1 19235366 BNXHZDQVHBRCBS-SANMLTNESA-N 446.551 2.787 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)C[C@H]3CCCCO3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19285432 MHNCPWTXTMPYRQ-CEXWTWQISA-N 441.528 2.764 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)C3CCCCC3)[nH]c2=O)C1 19404966 RXJDDFUGQMUIDP-HXUWFJFHSA-N 435.528 2.607 0 40 IFAB C[C@H](C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)N1C(=O)c2ccccc2C1=O 19604072 JMAWCHYRNCIJIH-CYBMUJFWSA-N 436.493 2.756 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CCC(=O)N2Cc1ccccc1 19741351 JZMMPDCXYIEGCC-HXUWFJFHSA-N 447.539 2.550 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1OC 19755951 HXANZIAJQBBEML-IBGZPJMESA-N 438.528 2.944 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)cc1 21756868 FLFNJTAUNVSFJD-UHFFFAOYSA-N 431.514 2.762 0 40 IFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 22246270 HXRYSULOZQHTLA-DEOSSOPVSA-N 449.576 2.925 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)cc1 28209980 WVGOMXHKCJHHMW-GOSISDBHSA-N 432.498 2.721 0 40 IFAB O=C(c1cc(Br)ccc1F)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29225475 QYPLWGBPDZGRIO-UHFFFAOYSA-N 445.292 2.554 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1)[C@H]1CCCO1 32769417 HGZNVPSTZSCTOE-HXUWFJFHSA-N 425.460 2.541 0 40 IFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32781566 KLURMLCPJAFJSZ-QHCPKHFHSA-N 446.551 2.926 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(-c3ccccc3)no2)cc1 32865400 NGRPVDGJEIMSBK-CQSZACIVSA-N 443.481 2.710 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1 36369982 IEYPXRVVJFDYKV-FQEVSTJZSA-N 437.456 2.788 0 40 IFAB biogenic O=C(NCc1ccc(N2CCCCC2)nc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 40121462 LREUPOPXFFIVRH-NRFANRHFSA-N 442.585 2.932 0 40 IFAB Cc1nc2nc3ccn(CCCN4CCOCC4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398351 LURKUWMKPGQVHP-UHFFFAOYSA-N 438.919 2.790 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1N1CCN(Cc2ccccc2)CC1 56939979 IPOHOZZWDRZKLG-UHFFFAOYSA-N 436.487 2.871 0 40 IFAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)NCC)cc2)c1C 58011188 NUTMZUQNCYNVSD-UHFFFAOYSA-N 439.559 2.697 0 40 IFAB CN(C)C[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](O)c1ccccc1 58146474 XBGIHIPTYWXXSD-HNAYVOBHSA-N 439.965 2.776 0 40 IFAB CN(C)c1cccc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c1 60277496 IUOPSEOPJUWQTE-UHFFFAOYSA-N 425.348 2.746 0 40 IFAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)NCc4nc5ccccc5[nH]4)C3)nn2)n1 62164335 XWHZEGQEDYYDCS-QGZVFWFLSA-N 430.516 2.688 0 40 IFAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCc2nc(-c3ccncc3)no2)cc1 65577572 YANSQVFZLJZCCJ-QGZVFWFLSA-N 439.497 2.613 0 40 IFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2cccc(Cl)c2)c(=O)c1CCO 67321141 BXZWLKHMAWKTRD-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CC[C@H](Nc3ccccc3)C2)sc(C(=O)NC)c1C 69946663 ZAGLKDNOQJHNQG-INIZCTEOSA-N 444.557 2.718 0 40 IFAB COc1ccc2nnc(CCCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n2n1 71284380 SUPOJYXSQCHHSS-UHFFFAOYSA-N 429.908 2.619 0 40 IFAB COC(=O)c1cc(CN(C)C(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)oc1C 96012268 TZRIOSCNXILGOQ-UHFFFAOYSA-N 434.392 2.908 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1 96121520 PKWWGQULAFEHMW-UHFFFAOYSA-N 440.525 2.589 0 40 IFAB O=C1C[C@]2(CN1)CN(C(=O)Nc1ccccc1)CCN(C(=O)c1cccc(Cl)c1)C2 96143362 MJWMLACAQSWQAA-JOCHJYFZSA-N 426.904 2.836 0 40 IFAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cc(C)cc(C)c2)CC3)C1=O 96144429 IBPIKHCCOZWLBM-VWLOTQADSA-N 440.588 2.762 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1F 96239955 GKGMVIMBDZIXRB-UHFFFAOYSA-N 433.549 2.832 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@@H]3C2=O)cc1 101166175 PFNSOOOZUMNPKV-ROUUACIJSA-N 427.848 2.671 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1cccc(Cl)c1 219661094 SBFHTQVAYBYYOD-UHFFFAOYSA-N 438.958 2.924 0 40 IFAB COc1cc(CNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)ccc1OC(C)C 220090691 OXOAKIKVGZMHDW-UHFFFAOYSA-N 442.484 2.843 0 40 IFAB CSc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1C(=O)N1CCOCC1 222621514 LTJJCCXNHLXAJY-UHFFFAOYSA-N 444.644 2.835 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 222686140 JUUAZSAVOXRPQT-OAHLLOKOSA-N 446.525 2.742 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cccc(Cl)c1 223278904 DFQIFGMVPOCTAT-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)c1ccccc1 223528493 BETQIOROTIBEFT-UHFFFAOYSA-N 427.526 2.648 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 223648782 UKDGTXMIPCIZOG-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB CN(c1ccc(Cl)c(C(=O)N2CCC(C(N)=O)CC2)c1)S(=O)(=O)c1ccccc1 224333530 VJJBPFZPWADWPX-UHFFFAOYSA-N 435.933 2.503 0 40 IFAB O=C(NCC(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1)c1ccccc1 225561075 NGNWYKSCWZVMBX-UHFFFAOYSA-N 449.486 2.937 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCCn1nc(C)cc1C)NC2=O 247961106 QSDYHZULMVYJGK-JJLPPOTMSA-N 438.528 2.580 0 40 IFAB C[C@H](C(=O)N1CC[C@H](c2ccccc2)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 253373793 KDKJTALXJLMTFF-ZTEVPRNISA-N 446.551 2.955 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 257234756 GUYBPSWHPUGHFN-LJQANCHMSA-N 441.513 2.694 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@@H](Cc2cccn3nccc23)C1 257240337 HTBKOCDWOBJDLX-SFHVURJKSA-N 447.495 2.936 0 40 IFAB Cc1nc(CN2CCO[C@@]3(CN(C(=O)C4CCCC4)C[C@H]3c3cccnc3)C2=O)cs1 306136149 PKVRCKOREUQQMZ-NZQKXSOJSA-N 440.569 2.760 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 408970450 IAIFMSXKVNEXQF-UHFFFAOYSA-N 426.513 2.924 0 40 IFAB CC(C)(N)C(=O)N1CCC(c2cncc(Nc3ncc(CC(F)(F)F)s3)n2)CC1 585263104 KKMMHDPCUKIEAB-UHFFFAOYSA-N 428.484 3.225 0 40 IFAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)c1 585270466 KQJFJOAFTVKSKU-OAQYLSRUSA-N 442.556 2.958 0 40 IFAB CN(C)c1nc(N)nc(CSc2nnc(CCc3ccccc3O)n2-c2ccccc2)n1 1426269 OHFIWYUGZMKHOZ-UHFFFAOYSA-N 448.556 2.884 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3Cl)CC2)cc1 2388135 PMXOQPHKARQEMW-UHFFFAOYSA-N 445.932 2.753 0 40 IFAB CCCCN(C(=O)NC(=O)Nc1ccccc1I)S(C)(=O)=O 3214892 VHFFUOWCJHXEIT-UHFFFAOYSA-N 439.275 2.594 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)sc(C)c1C 3445974 NZIYQEXQLPPZRO-UHFFFAOYSA-N 437.470 2.973 0 40 IFAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 4327980 HLRAESUHXKXVKC-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 5664812 JUWAUXATKRGHCK-KRWDZBQOSA-N 427.453 2.684 0 40 IFAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 8605445 ATZWBMWIWSXJLH-UHFFFAOYSA-N 440.525 2.799 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 8625941 HFEGTNLMXXGMOH-UHFFFAOYSA-N 433.482 2.502 0 40 IFAB Cn1c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nnc1-c1cccnc1 9126214 PFGKSLFATGULJT-UHFFFAOYSA-N 437.934 2.665 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 9425919 IGCZFSMXFVGTFR-UHFFFAOYSA-N 447.399 2.911 0 40 IFAB CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2[C@@H]1c1ccccc1F 9716384 ZJCJMNSVYCDIBV-IBGZPJMESA-N 435.455 2.997 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)Cc2cccs2)ccc1F 11467634 SOQLJOMYOQIPMJ-UHFFFAOYSA-N 442.534 2.733 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3nc(C)ncc3-c3ccncc3)ccc21 12088875 MSFNIAVSLDGHGT-UHFFFAOYSA-N 439.497 2.596 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccc(F)cc2)c1 12595880 AOJGHVCBXCZGJR-UHFFFAOYSA-N 449.548 2.874 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 12600248 BPASXPPVZGCWCP-UHFFFAOYSA-N 447.516 2.795 0 40 IFAB CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)C(C)C 12730487 QKWSTVXRICFLDV-UHFFFAOYSA-N 436.405 2.945 0 40 IFAB O=C(COc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 13002547 AHGKWFYELATTIK-UHFFFAOYSA-N 429.325 2.905 0 40 IFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cccc(Br)c1 13128843 HWPLLWJUIFSOQB-UHFFFAOYSA-N 439.331 2.912 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 14233797 PKSNHCBRZWQYJY-VQIMIIECSA-N 437.496 2.872 0 40 IFAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)N1CCN(c2ccccn2)CC1 18525689 WNWIQURKJWXBPZ-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4ccccc4)nn3c(O)c2C1 19017941 CYPWBSLHWJEHSH-OAQYLSRUSA-N 433.512 2.636 0 40 IFAB C[C@@H](C(=O)N1CC[C@@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459026 WYUUSSLKNWGKSU-WIYYLYMNSA-N 443.551 2.843 0 40 IFAB CCN1C[C@H](C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19526876 CCTCIGOKEHPRPQ-KOSHJBKYSA-N 439.581 2.920 0 40 IFAB Cc1cnc(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)C2CCCC2)C3)s1 19749627 UYTCUBYTRPTMHJ-SFHVURJKSA-N 433.599 2.746 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 22228832 RABBHVOQXRUDEN-UHFFFAOYSA-N 437.949 2.668 0 40 IFAB COCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 22274357 ZROJHTLJABGZNB-UHFFFAOYSA-N 441.347 2.797 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24610094 OZVKDAPYCRMLJG-UHFFFAOYSA-N 434.489 2.777 0 40 IFAB CC(=O)c1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)oc1C 25171918 UBEMAOCWXMIAFF-UHFFFAOYSA-N 444.553 2.745 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 26908032 AOSOYBUXKGWAFU-HNNXBMFYSA-N 433.555 2.914 0 40 IFAB O=C(Cc1csc(-c2ccco2)n1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 29671430 DMVYZTBTAIQXKQ-UHFFFAOYSA-N 425.466 2.659 0 40 IFAB COc1ccc(CCNC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)cc1OC 32124529 YPQBVGVINUPQOK-UHFFFAOYSA-N 437.496 2.998 0 40 IFAB biogenic CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 32126741 GJWNLPMDHULICJ-UHFFFAOYSA-N 430.511 2.765 0 40 IFAB C[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 40143388 PAPMAKVSWXHULF-LAUBAEHRSA-N 426.538 2.819 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1cccs1 57415932 WWJULIHYIDGKKU-FQEVSTJZSA-N 426.542 2.660 0 40 IFAB CCOC(=O)c1cnn(-c2cccc(NC(=O)NCc3ccc(-n4cncn4)nc3)c2)c1C 58167182 GYYGMMWEBVDVGD-UHFFFAOYSA-N 446.471 2.655 0 40 IFAB O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 58175091 AVBRDHJMLZKIGJ-UHFFFAOYSA-N 437.481 2.650 0 40 IFAB C[C@@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 58305112 FLFBYGKGRXYZJP-CBGDNZLLSA-N 449.571 2.504 0 40 IFAB O=C(NCC(F)(F)F)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 60392418 FKQIZXGASDUHHZ-UHFFFAOYSA-N 443.378 2.760 0 40 IFAB CC(C)n1ncc2cc(NC(=O)N3CCN(CC(=O)N4CCCC[C@H]4C)CC3)cnc21 69950898 RBWQIMKZRXKUAY-QGZVFWFLSA-N 427.553 2.563 0 40 IFAB COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3S(=O)(=O)N(C)C)nc21 72373783 YGRNIOZCTNKYQU-LJQANCHMSA-N 445.589 2.690 0 40 IFAB COc1cc(NC(=O)COc2ccc(I)nc2)cc(OC)c1OC 83921454 YGJIVAGGDZQSSO-UHFFFAOYSA-N 444.225 2.730 0 40 IFAB COC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 85955677 ZGYAVTLYBOAMLX-DOTOQJQBSA-N 442.269 2.665 0 40 IFAB COC(=O)c1ccc2nc(CO[C@H]3CN(Cc4ccc(C(=O)O)cc4)C[C@H]3F)[nH]c2c1 96112370 LUVDZNRGACZYON-APWZRJJASA-N 427.432 2.787 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)C2=NO[C@]3(CCCN(S(=O)(=O)c4ccccc4F)C3)C2)cc1 96225160 ILGAKXSECOGGGS-OAQYLSRUSA-N 447.488 2.773 0 40 IFAB COC(=O)c1ccccc1N1C(=O)[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C1=O 100830436 IRDPHMCVNASMCQ-ZBFHGGJFSA-N 429.226 2.528 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(OC)c1 138533845 GFGVNCVBGIZJEI-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 165643752 POEMEBQZOKKCGM-CJGRYMHTSA-N 426.513 2.841 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)c1 220151833 PIMTUNUAPKSWGE-MRXNPFEDSA-N 428.514 2.824 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1F 224918439 CMSORDLEBVUYIR-UHFFFAOYSA-N 433.427 2.774 0 40 IFAB CSc1cccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 225009249 GEEDAAZOEHRNNK-UHFFFAOYSA-N 435.571 2.650 0 40 IFAB COc1ccc(N(CCCC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 225193576 PJJABAYAZVVYJZ-UHFFFAOYSA-N 442.541 2.744 0 40 IFAB CN1CCN(Cc2nc(C3(O)CCN(C(=O)Nc4cccc(F)c4)CC3)cs2)CC1 225472526 HYIAGGOIMWDBAF-UHFFFAOYSA-N 433.553 2.545 0 40 IFAB biogenic,in-vitro O=S1(=O)CC[C@H](N(Cc2cccc(F)c2)C[C@@H](O)COc2ccc(Cl)cc2)C1 226776090 KKDTWOFEPUNPTQ-RBUKOAKNSA-N 427.925 2.908 0 40 IFAB Cc1noc(-c2ccn3c(CNC(=O)CCc4nc(-c5ccccc5C)no4)nnc3c2)n1 238874317 NQYWSUYSLZWLNQ-UHFFFAOYSA-N 444.455 2.695 0 40 IFAB O=C(C[C@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1)NCC1CCOCC1 257230509 GCQHWFIOWOITAF-QGZVFWFLSA-N 430.524 2.806 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1CCN(C(C)=O)C2 257252805 JWERIWRUFUHNDY-SFHVURJKSA-N 437.544 2.516 0 40 IFAB O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)NC[C@H]1CCS(=O)(=O)C1 508194999 MVMLNQJLVRPFQD-LJQANCHMSA-N 438.553 2.832 0 40 IFAB CO[C@@H]1C=C[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@@H](C)[C@@H](C)CCC=C1C 585660736 XBLHNZRXAORYAC-GZTLTRGWSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro O=C(c1cnn(-c2ccccc2)n1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888909699 LFRCMGFPMJINTI-GJZGRUSLSA-N 428.418 2.890 0 40 IFAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 879771 IQPOVGFQAOLJIJ-RBUKOAKNSA-N 431.558 2.571 0 40 IFAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc1 3284041 NGXOVAGQKOGZFQ-IERDGZPVSA-N 440.496 2.726 0 40 IFAB O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1N1CCOCC1 6548544 MBGUTPDVXPCUFZ-UHFFFAOYSA-N 438.507 2.683 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)Nc1ccccc1F 8708385 LXMIJOLGIODQOJ-FQEVSTJZSA-N 440.475 2.754 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCO2 8720653 UXTSLPCJNUYOII-CYBMUJFWSA-N 435.527 2.714 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 8984766 ZMGMBBZDZXLSMR-UHFFFAOYSA-N 434.283 2.994 0 40 IFAB CCCCN(C(=O)CSc1nc2ccc(C)cc2[nH]1)c1c(N)n(CCC)c(=O)[nH]c1=O 9466860 HFKLHPVIILKQMH-UHFFFAOYSA-N 444.561 2.639 0 40 IFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 10253694 ZYDLLRAJVAEGKK-UHFFFAOYSA-N 429.454 2.942 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)CCC5CCCC5)CC4)ncnc32)c1 10256427 MFUWXJVFROQIEY-UHFFFAOYSA-N 435.532 2.838 0 40 IFAB Cc1csc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 12322431 MPIVYJVXORFJAT-HNNXBMFYSA-N 430.505 2.821 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(-c2cccc(Cl)c2)nc1C 12697396 MONKEKSQVIRLRS-UHFFFAOYSA-N 449.920 2.740 0 40 IFAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)s1)C1CC1 12795532 PKVWPAGEYPPLBD-UHFFFAOYSA-N 440.572 2.790 0 40 IFAB CN(CC(=O)N[C@@H](CC(=O)O)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 12987740 AFXYZSKDJRZFRM-FQEVSTJZSA-N 426.494 2.793 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 13555695 OCXWVYMCAVPLDJ-CECAUBDESA-N 435.524 2.747 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCc2sccc2C1 14302092 MQHDFFUKZYNBSQ-UHFFFAOYSA-N 441.582 2.842 0 40 IFAB Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)cc(=O)c2c1 15039889 NYKGPCZTTQNCPR-UHFFFAOYSA-N 448.447 2.526 0 40 IFAB CSCC[C@@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)N1C(=O)c2ccccc2C1=O 18700610 PMRJKRIVMZNWBU-SFHVURJKSA-N 446.550 2.755 0 40 IFAB CN1C[C@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)CC1=O 19083924 YXOCXMPPIPWYKY-LVQVYYBASA-N 437.535 2.888 0 40 IFAB NC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)Cc2cccnc2)CCO1 19338439 BFVRLNLZMUNGDT-RUZDIDTESA-N 433.483 2.756 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527525 OUBGZJANMSRAIB-NRFANRHFSA-N 444.535 2.909 0 40 IFAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 19555654 VQRQCALWAZSTTO-IBGZPJMESA-N 445.523 2.774 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@H]2CCC(=O)N2)C1 19579719 GOHZIRHDZIUYBZ-BWKNWUBXSA-N 437.515 2.621 0 40 IFAB Cc1oc2c(c1C(=O)N1CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C1)CCCC2 19692633 CCIWEUURTKOCQP-HXUWFJFHSA-N 448.527 2.994 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 19694568 UEXLQAFOZBTESJ-KRWDZBQOSA-N 433.553 2.869 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CCc1ccc(F)cc1)CC2 19707895 QNAAORHKWWWIGJ-UHFFFAOYSA-N 439.535 2.901 0 40 IFAB Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)n(-c3ccccc3)c2n1 20353560 PBCGHVHXTYURTQ-UHFFFAOYSA-N 444.447 2.532 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn12 20736428 JYXPLCRNJMOHLV-KRWDZBQOSA-N 445.570 2.629 0 40 IFAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(N2CCCS2(=O)=O)c1 21833421 CUNRNVHWUQAREE-UHFFFAOYSA-N 428.510 2.820 0 40 IFAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 22766656 PLTWEHNHDHDYIZ-INIZCTEOSA-N 427.448 2.895 0 40 IFAB CSc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)n1 23012672 XIYVPAHQMBOPNS-UHFFFAOYSA-N 443.573 2.657 0 40 IFAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23989562 IDGFLORWCUGEMT-OAQYLSRUSA-N 437.565 2.640 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1C 24020762 AYMNXSBFTCIOSW-UHFFFAOYSA-N 429.498 2.504 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 24612262 VVTIPVYINLPMOH-UHFFFAOYSA-N 430.526 2.947 0 40 IFAB CCN1C[C@@H](CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)Oc2ccccc21 32781125 USBOEHYPCOAOKW-GOSISDBHSA-N 431.558 2.733 0 40 IFAB O=C(CCNS(=O)(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 32781173 RHGUWEJORFWLCB-UHFFFAOYSA-N 435.977 2.789 0 40 IFAB COC(=O)c1occc1COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 32848644 DCGBEBMOOVHJJS-OAHLLOKOSA-N 429.878 2.766 0 40 IFAB O=C(COC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)NCCc1nc2ccccc2s1 32912287 NLTAHTORZFRPGW-KRWDZBQOSA-N 427.457 2.831 0 40 IFAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 40116578 CYYUFCGYFKPEHE-GOSISDBHSA-N 426.416 2.946 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O 49409152 HRHKBEGEVJTILN-UHFFFAOYSA-N 437.949 2.869 0 40 IFAB Cc1ccc(N2CCC(CNS(=O)(=O)c3ccccc3Br)CC2)nn1 70922870 PIPYORPKDMZWDX-UHFFFAOYSA-N 425.352 2.742 0 40 IFAB Cc1ccc(NC(=O)NC[C@H]2COC(C)(C)O2)cc1NC(=O)NC[C@@H]1COC(C)(C)O1 84186119 LAJGAPUAKVIKJB-JKSUJKDBSA-N 436.509 2.541 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1OC)n1cccc(-c2nc(-c3cnccn3)no2)c1=O 90592155 CBSUZQIYDSEKKX-QGZVFWFLSA-N 432.440 2.954 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(SC)c4)[C@@H]3C2=O)cc1 101166423 RNLUDMGEZLHVNK-OALUTQOASA-N 439.497 2.739 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223184612 AFYIIWUFUUBBLJ-OTWHNJEPSA-N 445.947 2.535 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(OC(C)C)cc1 223954664 GTOJUBCTYLTBCE-UHFFFAOYSA-N 434.558 2.982 0 40 IFAB O=C1[C@@H]2C[C@@H](CN2S(=O)(=O)Cc2ccccc2)Oc2ccccc2N1Cc1ccccn1 225478922 UOSLYGFYISXTNW-UNMCSNQZSA-N 449.532 2.980 0 40 IFAB biogenic,in-vitro Cc1cc(C)n(CC(=O)NCc2cccc(-c3nn(C)cc3-c3ccncc3)c2)c(=O)n1 257291107 QFSBOIJWAOVEJB-UHFFFAOYSA-N 428.496 2.639 0 40 IFAB CCc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)S(C)(=O)=O)cc1 408603851 GHGDFKHTJXKAED-UHFFFAOYSA-N 436.555 2.991 0 40 IFAB CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl 408635384 AICMAUCUMJUREX-UHFFFAOYSA-N 426.922 2.845 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408657170 GMJNTWXQJBHCRQ-WWLNLUSPSA-N 446.459 2.802 0 40 IFAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1 408661817 CWBMRMRMTNJDCH-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB COCCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409004076 WKQZKHBUIUZJGE-FQEVSTJZSA-N 428.485 2.568 0 40 IFAB CCCc1cnc(Nc2cccc([C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1 643551146 YILHUKIGJZXSMU-MRXNPFEDSA-N 448.574 2.730 0 40 IFAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2N)c1 687566 LLEAJWVTHBQIBF-UHFFFAOYSA-N 441.513 2.867 0 40 IFAB COC(CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2C)C1=O)OC 2108481 VKNOYTRGTAJFOT-RDPSFJRHSA-N 433.508 2.780 0 40 IFAB biogenic Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)no1 3337433 BFFFXXYBHUHSFK-UHFFFAOYSA-N 429.426 2.863 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@H](O2)C(Cl)(Cl)C(=O)C3(Cl)Cl)cc1 3851521 WOECHQWDNJKQPF-AAEUAGOBSA-N 445.151 2.898 0 40 IFAB COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCCCCC3)c(=O)[nH]c2c1 6282844 GJAZGBSYZQTJIS-RXVVDRJESA-N 438.532 2.668 0 40 IFAB COc1ccc(CN2C(=S)N(CC3CCCCC3)[C@@H]3[C@H]4C[C@@H](O)[C@H](OC4=O)[C@@H]32)cc1 8295887 NANVJBWWMBTQRF-ONUIULTDSA-N 430.570 2.721 0 40 IFAB biogenic,in-vitro O=C(CSc1nc(-c2cccs2)n[nH]1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 8704043 NXZHYNQCSNSFKP-HNNXBMFYSA-N 448.595 2.841 0 40 IFAB CSCC[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)O 8876190 DSAFWRSZUUPRHU-AWEZNQCLSA-N 449.525 2.906 0 40 IFAB biogenic COc1ccc(CN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)C2CC2)cc1 9253131 PWWIHNMNXORXIX-RUZDIDTESA-N 433.508 2.970 0 40 IFAB COc1ccc(C(=O)Nn2cc3c(c2-c2ccccc2Cl)c(=O)n(C)c(=O)n3C)cc1 9302853 LFIYUKOSKUVUER-UHFFFAOYSA-N 438.871 2.752 0 40 IFAB COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1OC 9321131 RDHMVIGMWJMLAO-UHFFFAOYSA-N 432.480 2.805 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc3c2C(=O)NC3=O)ccc1Cl 9440150 MIMFXWJPYIWEPG-UHFFFAOYSA-N 435.889 2.506 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 9491199 MNPHKTDQWAFOQF-UHFFFAOYSA-N 447.344 2.528 0 40 IFAB CSc1cccc(N2C[C@H](C(=O)OCc3cc(=O)n4c(C)csc4n3)CC2=O)c1 9494207 YSGVDSWODYNUEW-CYBMUJFWSA-N 429.523 2.883 0 40 IFAB Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 9782067 NHBNDTRPNYHLCL-UHFFFAOYSA-N 426.473 2.699 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1 9806381 PVEHFMDYKOOIGP-LJQANCHMSA-N 447.532 2.659 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3n2)NC(=O)N[C@@H]1c1ccccc1 9865207 SSZLIYRZVZBFMR-HXUWFJFHSA-N 432.436 2.658 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)cc1 11533031 QWDOWXSCFDTDMX-GOSISDBHSA-N 438.480 2.961 0 40 IFAB Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C(N)=O)c(C)c1C 12741172 QEKMSFGYICEXBX-UHFFFAOYSA-N 439.541 2.634 0 40 IFAB O=C(CCSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)NC1CCCCC1 12813027 LIFRJXYOWBIKEY-UHFFFAOYSA-N 429.546 2.623 0 40 IFAB COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(OC)c1Br 13002620 NGSGYHZYANSBRB-UHFFFAOYSA-N 432.274 2.975 0 40 IFAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 13118083 KCSBRYOQKABDDI-UHFFFAOYSA-N 442.965 2.542 0 40 IFAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1ccccc1C 13508864 CTSICORKOBWONU-QHCPKHFHSA-N 437.544 2.872 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 13798503 WQFVITGSNVZUSG-UHFFFAOYSA-N 433.917 2.941 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 14198814 PATFFIQLWQSKEV-OAQYLSRUSA-N 444.553 2.689 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2-c2ccc(C)cc2)NC(=O)N[C@H]1c1ccco1 18278533 VVJWUSZHQJMKBV-KRWDZBQOSA-N 440.485 2.527 0 40 IFAB COc1cc2cc(N)c(C3CCN(C(=O)[C@@H](C)CN4CCOCC4)CC3)nc2cc1OC 19456228 NCARGNMYLUEJJG-INIZCTEOSA-N 442.560 2.509 0 40 IFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502671 HZLVBFKKBZIRBW-GOTSBHOMSA-N 433.552 2.872 0 40 IFAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(Cc1ccc(OCC(N)=O)c(OC)c1)C2 19562513 MOLWHAHTCOFSEZ-QFIPXVFZSA-N 440.540 2.921 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)o1 19693980 XNTRYQODZILAMY-SFHVURJKSA-N 448.527 2.933 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2CC1CCOCC1 19706274 HICAIOIPUZAWLP-NRFANRHFSA-N 438.576 2.915 0 40 IFAB Nc1nc(CN2CCN(C(=O)c3ccccc3Br)CC2)nc2ccccc12 24866912 GBYHUUVMBUALPJ-UHFFFAOYSA-N 426.318 2.933 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C(=O)NC)cc2)C2CC2)c1 26118013 RQERELSCIHRQGN-UHFFFAOYSA-N 443.569 2.882 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)N1C(=O)c2ccccc2C1=O 28471964 LQCUFJLJUWXCSI-WTLGNFPFSA-N 446.569 2.888 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)nn1-c1ccccc1 31137813 SIDUJMFISVEJGX-MRXNPFEDSA-N 443.467 2.584 0 40 IFAB CC1CCN(c2nnc(SCC(=O)NC[C@H]3COc4ccccc4O3)n2C2CC2)CC1 32876407 IQVYNHKDDMOEQL-KRWDZBQOSA-N 443.573 2.898 0 40 IFAB Cc1cc(C)nc(NN/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)n1 33014568 FJZROBQFBVSWBK-YBFXNURJSA-N 443.463 2.962 0 40 IFAB C[C@@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cccc2[C@@H]1C 36387063 UUILXVLLKFPRLU-CVEARBPZSA-N 429.542 2.759 0 40 IFAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 36762440 HBAVRAUGQYMMFP-UHFFFAOYSA-N 437.588 2.949 0 40 IFAB C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 48273530 JULDTFXDRUHXBK-MRXNPFEDSA-N 425.514 2.574 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@H]1c1ccccc1 57414295 LQUMCSSNWJFULE-NRFANRHFSA-N 440.931 2.943 0 40 IFAB COCCn1nc(C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)ccc1=O 58148208 HVKMOJVGVOCCNS-UHFFFAOYSA-N 443.454 2.578 0 40 IFAB Cc1ccc2c(c1)N(C(=O)Cn1c(=O)n(Cc3ccco3)c(=O)c3ccccc31)CCO2 67197185 RQXFIVPGQUKJAQ-UHFFFAOYSA-N 431.448 2.539 0 40 IFAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 70762570 GRLMOZXOLMYEKM-IBGZPJMESA-N 442.459 2.651 0 40 IFAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)NCc3ccc(C)cc3)C3=C2C(=O)OC3)cc1 71326820 RRSZAHVCFCTPGQ-NRFANRHFSA-N 437.521 2.911 0 40 IFAB O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 72040518 KIKLYYCCXDETDO-UHFFFAOYSA-N 430.349 2.767 0 40 IFAB Cc1[nH]c2ccc(C(=O)Nc3cc(C(N)=O)ccc3CN3C(=O)CN(C)C3=O)cc2c1C 72313758 MWYYNAZEZCGVIJ-UHFFFAOYSA-N 433.468 2.530 0 40 IFAB COc1ccc(OC)c(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c1 72340574 VWOJCAQXAZSNRW-QHCPKHFHSA-N 440.519 2.980 0 40 IFAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cccc(-c3cccc(CO)c3)n2)C1 72350149 LGVYCNRYWXPYNM-IBGZPJMESA-N 426.542 2.851 0 40 IFAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 95347392 BYKKGBNZQFIPFJ-INIZCTEOSA-N 435.553 2.788 0 40 IFAB COc1cccc([C@@H]2[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 95463668 OOKYKCHLJIJJKX-XORNHQRDSA-N 435.524 2.568 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3ccccc3)CN(C)C(=O)C2)cc1 96113299 NFGBWJZPWHNHNJ-NHCUHLMSSA-N 437.540 2.759 0 40 IFAB biogenic,in-vitro CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2 100944646 BYVPYJYHCMIHMK-IFXJQAMLSA-N 445.507 2.948 0 40 IFAB Cc1cc(C)c(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c(C)c1 219149172 NGSHBWGIQAZJAC-UHFFFAOYSA-N 428.514 2.744 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 220271476 FBILBQGBJDVSLI-KRWDZBQOSA-N 433.549 2.891 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223517736 DKGJJVFFTKITCB-LJQANCHMSA-N 445.585 2.623 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(C)c(C)c1)S(C)(=O)=O 223671964 BWJYFXNSMTZWMX-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)s1 225684867 RKZPOMCNSUCJHF-HNNXBMFYSA-N 448.551 2.855 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cccnc2-c2cccs2)cc1 225763559 XVKOXRTXEKKLFO-UHFFFAOYSA-N 427.507 2.942 0 40 IFAB CS(=O)(=O)N[C@H](CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 225952164 AMYDLZYUBGUFEX-HXUWFJFHSA-N 435.977 2.665 0 40 IFAB CC(C)S(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@H]3CC34CCC4)nc2C1 249682104 BXAJVLVYKLQSJU-AEFFLSMTSA-N 448.589 2.522 0 40 IFAB COC(=O)[C@@H]1CC[C@@H]2[C@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@@]5([C@@H](OC)O3)[C@@H]4CC[C@@]21C 253596092 NAWSESIXRIDTIN-QBCHLVJCSA-N 436.545 2.970 0 40 IFAB NC(=O)CC1(COc2ccc(F)cc2)CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 257219222 DGBPWEJIVQMQES-UHFFFAOYSA-N 442.459 2.829 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2cnc(C3CC3)nc2)CC1 257329257 XJCKNODZGKCGCQ-WRALFONMSA-N 436.556 2.804 0 40 IFAB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1cccc(OC)c1)S(C)(=O)=O 260832402 JBEJWWKFRJVWQH-BEFAXECRSA-N 448.541 2.888 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408597550 XMAGQXDGNMGBNU-OAHLLOKOSA-N 441.475 2.721 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCN1CCCCCC1 408700181 BOYBUOIZSWFWRV-UHFFFAOYSA-N 437.606 2.722 0 40 IFAB O=C(NCc1cccs1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710093 OLENNYVIPUCGMG-UHFFFAOYSA-N 437.477 2.662 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 409393484 XCKLPCGHZUKGBW-IBGZPJMESA-N 446.569 2.772 0 40 IFAB COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)nc2C)c1 409412885 ZWCPKZBWWOKIBF-DLVCFXQMSA-N 436.556 2.933 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@@]3(CCCN3CC(=O)N(C)C)CC2)c(OC)c1 585100093 FQGKOVOTVWUQEH-XMMPIXPASA-N 431.577 2.572 0 40 IFAB CC(=O)OC[C@@]1(CC(=O)N2CCOCC2)CCCN1C(=O)/C=C/c1cccc(Cl)c1 643587047 QLRFXISDGJTYBK-WMWRJIBUSA-N 434.920 2.526 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 827608943 OYQDJPCWSOEIQO-CYBMUJFWSA-N 430.507 2.671 0 40 IFAB Cc1cnc(N(C)[C@H]2CCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)nc1 1889218768 HMWNOFCPKUGTPE-AWEZNQCLSA-N 430.452 2.973 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 3411505 FCRXASDBUJAROX-KRWDZBQOSA-N 434.496 2.875 0 40 IFAB COc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 3557083 UBWCNDLESSEOEM-UHFFFAOYSA-N 435.274 2.955 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)C)cc32)cc1 4965822 OREPNLHTYGFDHY-UHFFFAOYSA-N 425.485 2.976 0 40 IFAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2c(C)cccc2CC)c1=O 8223602 SHFQOWVYZOHVME-UHFFFAOYSA-N 427.549 2.502 0 40 IFAB Cc1ccccc1COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8879645 RKENOAPCDWMHFC-UHFFFAOYSA-N 431.510 2.910 0 40 IFAB COCCn1c(SCC(=O)NC(=O)c2ccc(OC)cc2)nnc1-c1cccc(C)c1 8943109 CBNVLXBHVBZLBV-UHFFFAOYSA-N 440.525 2.957 0 40 IFAB COc1cc(OC)cc(C(=O)NCC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)c1 9319322 TUWLCHIMEGIGSV-LJQANCHMSA-N 442.541 2.921 0 40 IFAB COc1ccc(C(=O)CSc2nc(CC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 9382362 OJEGOTQMXNYZDN-UHFFFAOYSA-N 442.541 2.599 0 40 IFAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1 9406703 MNEXLQUIOGHEOU-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2o1 9569848 BSYIRRUYDLFRIH-UHFFFAOYSA-N 447.944 2.968 0 40 IFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 9756641 LYSALGXVDYAZSB-UHFFFAOYSA-N 443.466 2.546 0 40 IFAB CCOC(=O)c1cnc(SCC(=O)OCc2cc(C(C)=O)ccc2OCC)nc1N 9960780 YABGIVIBFDXXIE-UHFFFAOYSA-N 433.486 2.672 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccc2c(c1)OCCO2 12237694 AVJHTEYPHCEHOV-UHFFFAOYSA-N 437.843 2.646 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 12584633 ALUJFXMSUQDAEK-UHFFFAOYSA-N 434.481 2.740 0 40 IFAB Cc1cccc(C(=O)NCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 12773323 COFAEVPEZVNEAS-UHFFFAOYSA-N 432.318 2.941 0 40 IFAB COc1cc(C(=O)NCc2ccccc2CN2CCCC2)cc(Cl)c1OCC(N)=O 12880374 YCDXXFGNSWDYBW-UHFFFAOYSA-N 431.920 2.739 0 40 IFAB CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 12941598 OQPXRPMGFKRGOH-GASCZTMLSA-N 434.566 2.728 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 15718367 XAJNIBKNQAMZPF-UHFFFAOYSA-N 439.331 2.911 0 40 IFAB O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1 15881853 WDAROCLYXWLFES-UHFFFAOYSA-N 433.530 2.948 0 40 IFAB COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)nc2O)cc1 16954600 AVIIKXLIGJBTFE-UHFFFAOYSA-N 449.485 2.894 0 40 IFAB NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2ccc(O)nn2)C1 19331306 JRZADKLYMZTZFV-XMMPIXPASA-N 434.471 2.939 0 40 IFAB O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343699 PPGZMNPLHIOMCT-IBGZPJMESA-N 436.541 2.547 0 40 IFAB O=C(c1ccccc1)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703300 RAOXFBHRBPYJTI-GOSISDBHSA-N 437.521 2.982 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cc(CCOc3ccccc3Cl)[nH]n2)c1 19703768 GPALWELCXFBOQX-KRWDZBQOSA-N 435.937 2.944 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 19708829 PWUIBYJANIRAEN-KRWDZBQOSA-N 437.544 2.760 0 40 IFAB COc1ccc(-c2coc3c(C)c(OCCN4CCN(CCO)CC4)ccc3c2=O)cc1 20624119 MYSIBTJKGZAYEX-UHFFFAOYSA-N 438.524 2.766 0 40 IFAB biogenic CN1CCN(c2ccc(NC(=O)C3CCN(C(=O)OCC(F)(F)F)CC3)cc2)CC1 22192724 TXVIHZTWSLXTTP-UHFFFAOYSA-N 428.455 2.788 0 40 IFAB Cn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(Cc3ccc(F)cc3)nc12 23126054 LOFWZYFIQBOLPL-UHFFFAOYSA-N 449.486 2.598 0 40 IFAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(Cl)cc(Br)c1OC 24371560 ARJAOFJYUMOJCW-UHFFFAOYSA-N 427.748 2.600 0 40 IFAB C[C@@H]1CN(S(=O)(=O)CCNc2nc(-c3ccncc3)nc3ccccc23)C[C@@H](C)O1 29625489 CKVSNJVNDXVNSE-HZPDHXFCSA-N 427.530 2.543 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 29808512 HMNGMRWLUYUZHW-QYFOZDBKSA-N 442.516 2.664 0 40 IFAB C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1Cl 32759348 GPZYNFKEXAJXFN-OAHLLOKOSA-N 439.940 2.663 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)cc1 32995875 OEMHJUJIVGJJSK-BJRSVTDJSA-N 430.526 2.687 0 40 IFAB CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1 35336505 HVVQMTYZLLHJTA-UHFFFAOYSA-N 445.479 2.517 0 40 IFAB CCc1cccc2c(C(=O)CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c[nH]c12 35392687 OLDOSMJKIYLYQH-HSZRJFAPSA-N 433.508 2.897 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c2ccccc2O1 36392168 BDDQVYNHTWZPRI-NZQKXSOJSA-N 433.533 2.975 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)Oc2ccccc21 38831803 QEOXUXDLMFMBIT-JOCHJYFZSA-N 443.569 2.516 0 40 IFAB COc1ccc(Br)cc1C(=O)CCC(=O)OCC(=O)Nc1cc(C)on1 39514717 GJKVPDIQYCOWJJ-UHFFFAOYSA-N 425.235 2.899 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 40069401 GDFFOBQQMJSEMB-QGZVFWFLSA-N 449.598 2.603 0 40 IFAB Cc1occc1C(=O)Nc1nc(CC(=O)NCCc2ccc3c(c2)OCCO3)cs1 48325271 PNLHOKCCQPUOSY-UHFFFAOYSA-N 427.482 2.969 0 40 IFAB Cc1noc(-c2ccnc(-n3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c3C)c2)n1 49420799 UUYDDHLQWBARMS-UHFFFAOYSA-N 443.511 2.892 0 40 IFAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)cc1 57426580 WRWMEWUGTFGXLI-UHFFFAOYSA-N 435.505 2.945 0 40 IFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 58337688 KUARUJPEENNVPB-FQEVSTJZSA-N 444.963 2.644 0 40 IFAB COc1ccc(C)cc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67301048 PALWRPZEHGLNFD-UHFFFAOYSA-N 425.460 2.848 0 40 IFAB COc1cccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(OC)cc34)n2)c1 71288163 YNZUDTJWBKTDEU-UHFFFAOYSA-N 432.480 2.768 0 40 IFAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371334 CFFYNTNCUSQFNN-CQSZACIVSA-N 428.505 2.685 0 40 IFAB Cc1ccc(C2(CN3CCC(NC(=O)CC[C@H]4NC(=O)NC4=O)CC3)CCCCC2)cc1 72393576 QSTUEOFSSMJGDW-OAQYLSRUSA-N 440.588 2.766 0 40 IFAB CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)N3CCC[C@@H](CCC(=O)O)C3)o2)cc1 95992028 WHIQTJLIMQVKBG-HNNXBMFYSA-N 434.514 2.781 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 102213508 IENXUKKITSQZFI-FUHIMQAGSA-N 436.574 2.959 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1OC 216251953 UJYTYYCZMXQEKT-UHFFFAOYSA-N 449.573 2.592 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219695367 OEQOULWQAMYENC-CQSZACIVSA-N 426.922 2.553 0 40 IFAB CCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224411058 AKWSAWOQIRXLRP-UHFFFAOYSA-N 426.564 2.833 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)CC1 225235502 BAZRYKVIUDQONC-XMHGGMMESA-N 434.587 2.509 0 40 IFAB Cc1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)cn1 257214291 CLLVJPJPLJXQFU-GNKBHMEESA-N 437.584 2.818 0 40 IFAB C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@H]1CCCC(=O)N2 257239664 HQHKXPBQIUZMAQ-QLWBXOBMSA-N 447.539 2.539 0 40 IFAB Cc1ccccc1-c1cccc(C[C@H]2C(=O)N(C)CCN2C(=O)Cc2nnc(N)s2)c1 257336297 YNUYQDBTXSILOL-IBGZPJMESA-N 435.553 2.550 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 260890312 BURPEGVQDVRTSX-KRWDZBQOSA-N 438.933 2.842 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 408612841 YXXGGRDZSIIRLW-HNNXBMFYSA-N 434.514 2.876 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1C(F)(F)F 408659381 JKKFXIWNUPKDSG-YDOWWZDFSA-N 438.402 2.608 0 40 IFAB Cc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409409547 HVRJRRYXECMVOU-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 554031667 LBQYZOJTAYSHFJ-MSOLQXFVSA-N 439.478 2.936 0 40 IFAB COc1ccc(Cl)cc1NC(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O 575613883 XPQBABMGWFMUCD-UHFFFAOYSA-N 428.873 2.810 0 40 IFAB Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)nc(N)n1 1848357440 MMKUVTCRFQPASS-WOJBJXKFSA-N 437.544 2.604 0 40 IFAB COc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 3337570 ATOIZPYDVJWYLG-UHFFFAOYSA-N 447.509 2.918 0 40 IFAB O=C(OCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3523800 POLDTFMVZHTGEY-UHFFFAOYSA-N 425.890 2.597 0 40 IFAB CC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4ccccc4)CO[C@H]23)c1 3841725 IFGCQOOPPYPAJL-MTQWCTHYSA-N 441.509 2.959 0 40 IFAB biogenic,in-vitro CSc1ccccc1NC(=O)C1=CC(c2ccc3c(c2)OCO3)=NS(=O)(=O)N1C 8587823 FXEQKLASQRPKCQ-UHFFFAOYSA-N 431.495 2.639 0 40 IFAB Cc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4)s3)CC2)cc1 8587951 HMGKZWNQRZWZPZ-UHFFFAOYSA-N 443.554 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1C 9227688 ZYPRKWAYCSGLQF-FQEVSTJZSA-N 428.554 2.989 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCn1ccc2ccccc21 9339397 VDJGKVBZVXHICG-IBGZPJMESA-N 428.558 2.863 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccccc2)CCC1 9575494 VNYADXSWCSNXPY-UHFFFAOYSA-N 430.526 2.777 0 40 IFAB CCn1c(=O)n(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)c2ccccc21 12054383 UFXUINIGFWFEAW-UHFFFAOYSA-N 439.497 2.814 0 40 IFAB Cc1nc2cc([C@H]3CCCN(C(=O)CCn4ncc5ccccc5c4=O)C3)nn2c(O)c1C 12134372 NGCNWEVBWCWWLK-SFHVURJKSA-N 446.511 2.558 0 40 IFAB COc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)c(OC)c3)cc2c1=O 12414493 RUFYTMOLNWAXFN-UHFFFAOYSA-N 434.452 2.828 0 40 IFAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12588998 LBNPNNCBBBHUBT-UHFFFAOYSA-N 434.518 2.653 0 40 IFAB CCCNC(=O)NC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1 12763635 QVVAAAAMNYWVCP-UHFFFAOYSA-N 432.527 2.727 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 13112605 DZNSBDXAUNABGZ-UHFFFAOYSA-N 440.525 2.669 0 40 IFAB CC(C)[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 13502737 IYIGWQRTZPNNGF-FQEVSTJZSA-N 449.573 2.526 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 13695471 KXUIYAWZJHFMNE-UHFFFAOYSA-N 439.493 2.985 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)C(=O)N(C3CC3)C1=O)CC2 14169523 ANRWEYBWOAMUHG-NRFANRHFSA-N 435.480 2.562 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 15359035 GVEZSJIBVCWWQU-LLVKDONJSA-N 448.360 2.901 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 15858685 RWKBYMQOCKYTND-UHFFFAOYSA-N 430.482 2.818 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 18109769 HPNUGHIOVUGCPQ-NVXWUHKLSA-N 448.516 2.875 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502983 MSTHBBKNRNVAEJ-HSZRJFAPSA-N 431.540 2.885 0 40 IFAB Cc1ccc(C(=O)NCCCN2CCOCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 19938276 KZWTXWUKNDLIPH-UHFFFAOYSA-N 445.585 2.865 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 20460852 PWMQBLVFUPFRMM-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB COc1ccc(-c2noc(CCCCCNC(=O)CN(C)C(=O)c3ccco3)n2)cc1 22872367 XKZVXVHKRZUXIG-UHFFFAOYSA-N 426.473 2.939 0 40 IFAB CCN1CCN([C@H](c2cccc(OC)c2OC)c2nnnn2CCc2ccccc2)CC1 22929959 UFZLTAXLNOFZHM-JOCHJYFZSA-N 436.560 2.660 0 40 IFAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 23108306 IKOPDLAXYUNAKN-KBPBESRZSA-N 448.449 2.889 0 40 IFAB O=S(=O)(c1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)nc1)N1CCCC1 24001968 BFENNNNTOPPJEL-UHFFFAOYSA-N 443.598 2.798 0 40 IFAB C[C@H]1CN(c2ccc(C(=O)NCCCc3cc(N)n(-c4ccccc4)n3)cn2)C[C@@H](C)O1 24795976 OCEIAMUOURVKSG-HDICACEKSA-N 434.544 2.826 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccc3c(c2)OCCCO3)C1=O 25139831 JFWJMNWOMYBANG-JOCHJYFZSA-N 441.509 2.829 0 40 IFAB CCn1c(=O)n(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc21 25638397 QYGXATIUJCTTBJ-QFIPXVFZSA-N 440.519 2.542 0 40 IFAB COc1cc2nc(CSc3nnc(N4CCCC4)n3C3CC3)[nH]c(=O)c2cc1OC 32801695 DVPNHLHPMWZWPT-UHFFFAOYSA-N 428.518 2.759 0 40 IFAB Cc1cc(C)n(-c2ccc(Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)cc2)n1 32815487 DRAOEERXUBLFGW-UHFFFAOYSA-N 429.402 2.965 0 40 IFAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 32954707 SUDOENBQJKDUGH-LLVKDONJSA-N 437.345 2.652 0 40 IFAB Cn1c(-c2ccc(F)cc2)c(-c2cn3cc(Br)ccc3n2)c(=O)n(C)c1=O 36365020 NQWRGZGVNOXJHJ-UHFFFAOYSA-N 429.249 2.967 0 40 IFAB CC(C)Cc1cc2c(=O)n(CC(=O)c3ccc4c(c3)N(S(C)(=O)=O)CC4)cnc2s1 40268182 IFABWLNDBIATDD-UHFFFAOYSA-N 445.566 2.862 0 40 IFAB CC(C)CN1C(=O)CO[C@H](c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)[C@H]1CO 72321147 LTBYQLRRNCHLCE-IFMALSPDSA-N 432.542 2.545 0 40 IFAB biogenic,in-vitro CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(C(=O)Cc3ccccc3)CC2)o1 72344910 WIRQEHOQLOGWKM-IBGZPJMESA-N 446.573 2.895 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCSCC1 72405637 QPZLDIDTMCWNTJ-ZDUSSCGKSA-N 431.389 2.789 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 77135601 DLHSXCCVIPVMRB-UHFFFAOYSA-N 442.523 2.991 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1 89496685 WOGPWMPVTQPSAL-KKSFZXQISA-N 443.569 2.964 0 40 IFAB O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC[C@@H](CCO)c1ccccc1 95410268 YAXZGOYMKVPXDE-QGZVFWFLSA-N 440.359 2.646 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96103502 RNLSWPIXZFWSEY-SFHVURJKSA-N 427.931 2.780 0 40 IFAB O=C(c1cccnc1)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 96145888 DQDLRAHRLRPWHK-OALUTQOASA-N 427.526 2.548 0 40 IFAB CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(Br)cc1 96519944 AIDVDGOINDXJTI-RKDXNWHRSA-N 439.496 2.855 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)c(Cl)c1 101389101 WOKMULVKYFUXJI-SJORKVTESA-N 433.802 2.859 0 40 IFAB CN1CCN(CCNC(=O)c2nc(N3CCCCC3)ncc2Cl)[C@@H](c2ccccc2)C1 195529409 VHEZNOCSVZFTEW-HXUWFJFHSA-N 442.995 2.839 0 40 IFAB COc1cccc(CNC(=O)CCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 199419201 RVHDVNQNJVFBQX-UHFFFAOYSA-N 436.512 2.918 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccccc1F 219442306 VEMNLARJIYDESZ-UHFFFAOYSA-N 436.530 2.800 0 40 IFAB COc1ccc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)cc1N1CCCC1=O 224620910 KEYLTIRXZWHPSA-UHFFFAOYSA-N 443.569 2.896 0 40 IFAB COc1ccc(CCNC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1OC 225950212 YSYYDECPLZICOQ-KRWDZBQOSA-N 440.949 2.697 0 40 IFAB Cc1nc2cc(NC(=O)CN3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc2n1C 257272106 NBBXTLHCNKBPFS-GMAHTHKFSA-N 426.492 2.864 0 40 IFAB CC(C)n1nccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257307712 SZXORSMUGIQPFI-UGKGYDQZSA-N 440.544 2.623 0 40 IFAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1 409388165 CHVFTJAYBWKLPV-UHFFFAOYSA-N 436.530 2.808 0 40 IFAB COCCc1noc(CN2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)n1 502303365 OVSUYLZOKVWIGX-LJQANCHMSA-N 427.505 2.643 0 40 IFAB COc1cnc(NS(=O)(=O)c2ccc(NC(=O)Cc3noc4ccccc34)cc2)nc1 535204203 BWTOFMVYALYLPH-UHFFFAOYSA-N 439.453 2.608 0 40 IFAB CCOC(=O)[C@]12CCCN(C(=O)c3ccnc(F)c3)C[C@H]1CN(Cc1cccc(C)n1)C2 585108091 WLIMDMRANNUVGN-DVECYGJZSA-N 440.519 2.842 0 40 IFAB C=CC(=O)N1CCC(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)(c2ccccc2)CC1 1136434243 OZNDPLIBPZVHLF-UHFFFAOYSA-N 426.538 2.916 0 40 IFAB O=c1nc2s/c(=C/c3ccccc3Br)c(=O)n2nc1Cc1ccc(F)cc1 2373589 DHVRWMISSUPMTQ-MHWRWJLKSA-N 444.285 2.551 0 40 IFAB COc1ccc(Cn2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccsc3c2=O)cc1 2908686 LNCHKUUGKXGKQC-INIZCTEOSA-N 445.566 2.902 0 40 IFAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 6632150 VGSPJWBUOVOXLX-GOSISDBHSA-N 442.495 2.794 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(Br)cc1 8724133 VUUSNDWVFCVYOY-UHFFFAOYSA-N 446.301 2.740 0 40 IFAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9130951 SUVZBKMVHJVQOR-HNNXBMFYSA-N 431.514 2.681 0 40 IFAB CCn1c(CSCC(=O)NC(C)C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9350375 IPFAFNZPQRNHPY-UHFFFAOYSA-N 438.619 2.989 0 40 IFAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)Cn1c(=O)oc2ccccc21 9534795 AVLRYCDUFRONQI-UHFFFAOYSA-N 435.436 2.864 0 40 IFAB COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)Nc2nnc(C(F)(F)F)n2[C@]1(C)O 9539779 NIVZTNPERHLOPR-PKFCDNJMSA-N 435.200 2.680 0 40 IFAB CCCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(F)c(F)c1F 9584605 QORAUDIWVWGKJK-UHFFFAOYSA-N 428.455 2.913 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1c(C)noc1C 9665420 OLAUDDYFXCTHKW-UHFFFAOYSA-N 447.488 2.721 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2=O)cc1 9698687 LMFATCRPVKZAPJ-QFBILLFUSA-N 437.496 2.596 0 40 IFAB CCc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)cc1 9713274 KEMJQUHETZCLII-UHFFFAOYSA-N 441.491 2.957 0 40 IFAB O=C([C@@H]1CN(C(=O)/C=C/c2nc3ccccc3s2)c2ccccc2O1)N1CCOCC1 9739004 GFYZEOLQRTXNKF-YXBWYFRISA-N 435.505 2.963 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 9796463 MLBDWKQWUGDDSR-VOTSOKGWSA-N 446.569 2.513 0 40 IFAB O=C(CCc1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851814 YNEHKLRVUNSQEI-UHFFFAOYSA-N 427.512 2.551 0 40 IFAB COc1ccc(OC)c(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 10102303 JVSSXOGMOYWEPQ-UHFFFAOYSA-N 447.495 2.504 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCc1cccc(Cl)c1 12086596 CGXYGVSOGIOKIO-HSZRJFAPSA-N 441.915 2.530 0 40 IFAB CCCC(=O)N(c1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CC)S(=O)(=O)CC 12275469 IBHCLJUIPODBPG-UHFFFAOYSA-N 442.559 2.833 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4ccccc4C)CC3)CC2)cc1 12556342 MPOSYKJZYOHNKX-UHFFFAOYSA-N 434.584 2.664 0 40 IFAB CCCN(C(=O)c1ccc(C(F)(F)F)nc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12763362 OUQDYLRIQNCSJA-UHFFFAOYSA-N 447.417 2.638 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl 13074733 LGQGCXZJFSVCGX-UHFFFAOYSA-N 441.889 2.905 0 40 IFAB Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1C 13539196 LJZAXOLZVHSPOY-UHFFFAOYSA-N 441.488 2.905 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H](Cc3ccccc3)n3cnnn3)n2)cc1 14180331 VPAXTSKYISBHKH-HXUWFJFHSA-N 447.524 2.855 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Br)c2)cc1 14180947 LXTHTHTYSJPQBW-UHFFFAOYSA-N 440.319 2.715 0 40 IFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 14371164 GLUMQLMBNRHPEJ-UHFFFAOYSA-N 428.489 2.635 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 15942436 NCKIPAVSALWGOV-UHFFFAOYSA-N 429.542 2.588 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15967032 MESVUDPNTKQKQP-CQSZACIVSA-N 438.933 2.861 0 40 IFAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 16442464 GGUPZKPDTKCBIA-OAHLLOKOSA-N 449.960 2.751 0 40 IFAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)O[C@@H]1CCS(=O)(=O)C1 16680152 JHXRNZSBWWQLIB-CQSZACIVSA-N 435.552 2.818 0 40 IFAB Cc1ccc(C(=O)NCCSCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 18105630 SAJYRHJBXSRNHB-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19448777 JAEOATFFBBKYPG-DHLKQENFSA-N 436.556 2.999 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(C(=O)c3ccccn3)CC2)n1 19695162 GXOGGFBSLHLOKN-UHFFFAOYSA-N 430.512 2.723 0 40 IFAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(C)c2)nc2c1CN(C)CC2 19710248 CVBPHPBFGHMWDL-IBGZPJMESA-N 433.553 2.870 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN(C)Cc2ccc(F)cc2)ncc1C(=O)N(C)C 19751814 WHFLSBRJZQRCER-HXUWFJFHSA-N 427.524 2.812 0 40 IFAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2c[nH]c3ccccc23)cc1 19820958 JWSAZBZGNJQFGO-VXKWHMMOSA-N 446.594 2.502 0 40 IFAB COc1ccc(C(=O)N2CCC(N[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 19890112 AIPMWMAWCQNJRO-HXUWFJFHSA-N 441.915 2.875 0 40 IFAB CCN(CC)CCn1c(S)nc2cc(C(=O)NCc3ccccc3OC)ccc2c1=O 20645455 CVPRCXJJRDTJQR-UHFFFAOYSA-N 440.569 2.966 0 40 IFAB O=C(COc1ccccc1C(=O)OCC(=O)NC1CC1)Nc1ccc(Br)cc1 20819850 PYTSHXWDVFHHFQ-UHFFFAOYSA-N 447.285 2.902 0 40 IFAB CCOC(=O)C(Cc1c[nH]c2c(OCc3ccccc3)cccc12)(NC=O)C(=O)OCC 22051210 ABDOJCPPJSPZBO-UHFFFAOYSA-N 438.480 2.900 0 40 IFAB in-vitro CC(C)c1ccc(OCC(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc1 23134414 KWGGVCULGFXFMX-UHFFFAOYSA-N 438.507 2.648 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2cc(-c3ccco3)on2)CC1 23908803 WEIOJXUTTSPCAR-UHFFFAOYSA-N 445.497 2.602 0 40 IFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCc1nc(-c2cccs2)no1 25188694 JOFSPIVDQLIPPU-UHFFFAOYSA-N 442.497 2.993 0 40 IFAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C(C)(C)C)cc1)n2CCN1CCOCC1 25460518 YXENKFAZBVNWGV-UHFFFAOYSA-N 439.560 2.593 0 40 IFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1Br 28223205 MMPMFCOBMKMBSS-NSHDSACASA-N 426.130 2.574 0 40 IFAB O=C(NCc1nnc2n1CCC2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32873612 BUBSLTPBBVKKJW-UHFFFAOYSA-N 428.846 2.824 0 40 IFAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)Nc3ccc4c(c3)OCCO4)N=C2O)cc1 36589775 ZBBXIONGQCEYJW-QGZVFWFLSA-N 425.441 2.510 0 40 IFAB Cc1c(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 40092015 ZBUIFJOOAUCWLB-QGZVFWFLSA-N 437.466 2.921 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855720 YRPHXOSBTONLEG-UZLBHIALSA-N 446.525 2.641 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 57414942 QCSLXBBKJHXYLQ-OAQYLSRUSA-N 440.931 2.943 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1 57429011 YTDPVZYWHZWVMO-CHWSQXEVSA-N 433.480 2.997 0 40 IFAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58111574 XFUHEVVPGSWOGG-PZJWPPBQSA-N 431.558 2.834 0 40 IFAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccccc1 58538525 HMOOHAJODBTTHZ-PMNYKWLYSA-N 429.472 2.831 0 40 IFAB Cc1sc2nc(N3CCN(CC(=O)NC4CCCCC4)CC3)n3ncnc3c2c1C 61966205 DIADUWUYVQWNEC-UHFFFAOYSA-N 427.578 2.527 0 40 IFAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)N1CCN(c2ccccc2F)CC1 67246124 OOPRWTXRGXPQPA-UHFFFAOYSA-N 439.516 2.757 0 40 IFAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)C1 100115276 NDERVWNMXLSBFB-AJHZIAPWSA-N 438.572 2.978 0 40 IFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 104000170 DDROSTQOBGJOIA-BZSNNMDCSA-N 434.558 2.507 0 40 IFAB COc1cc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c(OC)cc1Cl 219439360 UOIVOBUTEPCQAZ-UHFFFAOYSA-N 438.889 2.921 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223140501 LLHAHIXFLLUWGY-ZIFCJYIRSA-N 445.947 2.535 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nnc(SC)s2)cc1I 224877968 ABWUNTVDIPCUND-UHFFFAOYSA-N 443.313 2.674 0 40 IFAB COc1ccccc1N(CCCC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225062922 VKDNBJBBVOZMBA-UHFFFAOYSA-N 449.554 2.794 0 40 IFAB Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 225460027 RTLDSVJSZNTBQD-IBGZPJMESA-N 445.585 2.703 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1N1CN=C(NS(=O)(=O)c2ccc(Br)cc2)NC1 253564061 GCQSNAMFGIYCLD-DVOMOZLQSA-N 429.384 2.728 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 257204597 AVJRJUWJOREATH-OAHLLOKOSA-N 441.557 2.571 0 40 IFAB Cc1ccc2nccc(N3CCC[C@@](O)(CN(C)C(=O)CC(C)(C)CC(=O)O)C3)c2n1 257283516 OYRFYSOKLDPMET-HSZRJFAPSA-N 428.533 2.619 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)CC1 408605709 NHUWPINMRGNQHW-UHFFFAOYSA-N 431.558 2.653 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(F)cc1 911012 VRSXHTMMEJTFKP-DPWKNNTCSA-N 426.444 2.686 0 40 IFAB Cc1c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 2120497 MGNPLPPZHVAOMF-INIZCTEOSA-N 431.828 2.521 0 40 IFAB biogenic Cc1cccn2c(=O)c3cc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)n(C)c3nc12 2360133 SFPLKAXAGDEMHS-UHFFFAOYSA-N 442.479 2.545 0 40 IFAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 3442460 RMJCDABHRXJEAO-UHFFFAOYSA-N 442.868 2.527 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4o3)CC2)cc1 3523440 CTDKITBXGSGFJX-UHFFFAOYSA-N 431.539 2.761 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C 6578136 UCQQSMZLWLGUIR-UHFFFAOYSA-N 441.538 2.979 0 40 IFAB aggregator CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccccc1N1CCCCC1)C2=O 8729012 GMXZRZMQSDXKFI-UHFFFAOYSA-N 441.576 2.641 0 40 IFAB CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)CC1 8789177 TVZBMYDJHZPXMZ-NYVOZVTQSA-N 444.620 2.617 0 40 IFAB biogenic NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)CC1 8810116 SIOHFSRAQOTMRD-UHFFFAOYSA-N 439.896 2.617 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1cccc2ccc(C)nc12 9112552 LKUBVVWBJBVZEJ-UHFFFAOYSA-N 442.493 2.792 0 40 IFAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9218404 WTWQDSKYIVVEEN-UHFFFAOYSA-N 443.569 2.580 0 40 IFAB COc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2cc1OC 9410180 KBENNFVKGZHLEL-UHFFFAOYSA-N 431.448 2.808 0 40 IFAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2ncccc21 9660648 ZIEFSDVDWVQTEN-UHFFFAOYSA-N 430.464 2.562 0 40 IFAB COc1ccccc1-n1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 9829470 OIJHLOUNKAFQLL-UHFFFAOYSA-N 447.470 2.951 0 40 IFAB Cc1c(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c(=O)n(-c2ccccc2)n1C 9986510 NDYVBMPCNJIURN-UHFFFAOYSA-N 440.544 2.622 0 40 IFAB O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccc(Br)cn1 10059025 QVEVYTAAWBUMHA-UHFFFAOYSA-N 447.314 2.955 0 40 IFAB CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc12 10337270 BUQJONAOMFUISO-UHFFFAOYSA-N 433.530 2.730 0 40 IFAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)NC1CC1 10386517 OTZCGYGXRGUMMP-UHFFFAOYSA-N 448.928 2.522 0 40 IFAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 11365335 DROUPXXPDNUSLZ-IAGOWNOFSA-N 431.562 2.721 0 40 IFAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccc(Cl)c(Cl)c2)=C1 12155169 VPLUMDBEOCPQEH-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12536392 GFEQWMCXJVWMAZ-UHFFFAOYSA-N 447.532 2.702 0 40 IFAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 12762064 NSMAPVIDERDUFQ-QGZVFWFLSA-N 436.917 2.581 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 12775071 REVFXOSVVWMAOX-UHFFFAOYSA-N 431.436 2.847 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(SC(F)F)cc1 12801541 POBAVCIDANZRNI-UHFFFAOYSA-N 443.497 2.586 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1 12809508 PIOANVXAHAEHFE-QFIPXVFZSA-N 429.586 2.815 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 13674089 IIKDARPGPRJIKZ-UHFFFAOYSA-N 446.525 2.753 0 40 IFAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)NN1C(=O)NC2(CCCCC2)C1=O 14124655 BRKIFLAANZBCDL-HNNXBMFYSA-N 441.557 2.762 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 14629426 XCXDDEFGZXHQQH-IBGZPJMESA-N 432.498 2.648 0 40 IFAB CCCCN(C(=O)CSC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 18264300 UGLWBGYLSKJZKO-UHFFFAOYSA-N 430.574 2.976 0 40 IFAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078317 HKVOOVOIECISAI-LVQVYYBASA-N 435.475 2.983 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 19694597 GIXAMZRZJJSJAI-QGZVFWFLSA-N 433.553 2.869 0 40 IFAB COCCN1Cc2cccc(C(=O)Nc3cccc([C@@H]4CCc5nncn5C4)c3)c2C1=O 19699068 PGAWEPBTEKWADB-QGZVFWFLSA-N 431.496 2.863 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(-c3ccccc3OC)c1=O)NCC2 20410660 IRCGXDPBYSDVOL-IBGZPJMESA-N 441.509 2.862 0 40 IFAB biogenic Cc1ccccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O 21843124 NSUWXUJNZPQJPV-XYOKQWHBSA-N 427.570 2.619 0 40 IFAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(I)cc2)S1 28757008 GCQBJVIWDMZSQB-GFCCVEGCSA-N 431.299 2.960 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCn1cnc2ccccc2c1=O 32843274 IDRURVURCLEHGT-UHFFFAOYSA-N 443.301 2.612 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)c1 32906552 JAJVJMNTDQTHQT-UHFFFAOYSA-N 432.420 2.891 0 40 IFAB Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@@H]2c1ccco1 38519863 LCCCCFRGRIYFIN-IUODEOHRSA-N 437.431 2.618 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCCC[C@@H]3N3C(=O)CSC3=O)[nH]n2)c1 38679688 ZLLWAYISKRMZOW-YOEHRIQHSA-N 444.513 2.830 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 40149791 NATZWEPUCSOKKP-SFHVURJKSA-N 436.917 2.769 0 40 IFAB CCOC(=O)c1ccc2c(c1)n(C[C@H](O)COc1cccc(C(C)=O)c1)c(=O)n2CC 46580561 IYWCIODMDPUMFT-SFHVURJKSA-N 426.469 2.642 0 40 IFAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)CC2)c(C)o1 48366691 PKNLGALTPOYVOV-UHFFFAOYSA-N 432.864 2.871 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc3nn(Cc4ccc(F)cc4Cl)c(=O)n3c2)CC1 49408004 AWCJMJYMEWHYIM-UHFFFAOYSA-N 438.912 2.757 0 40 IFAB COc1ccc(NC(=O)COc2cc(CC(=O)NC3CC3)nc(-c3ccccc3)n2)cc1 57522496 SMPKTBOSMQBTNK-UHFFFAOYSA-N 432.480 2.991 0 40 IFAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 59284084 DSIMTXQHRXPUTR-UHFFFAOYSA-N 448.936 2.905 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204889 BRAUZWGWEHHWDU-OAQYLSRUSA-N 442.466 2.568 0 40 IFAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)cc2OC)c1C 71327038 KGSKKAUYNJALGN-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cnn(-c2ccccc2)n1 72313312 QDXLBWSKPSLGBS-UHFFFAOYSA-N 433.493 2.998 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CCN(C)Cc2ccccn2)ncc1C(=O)N1CCCC1 72345433 LAMKRLPNIPQFBJ-NRFANRHFSA-N 436.560 2.602 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc(OC)c1OC 72394206 ROMGRWPVJPGRNJ-CQSZACIVSA-N 434.514 2.531 0 40 IFAB CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 79074161 DMJRPWDKBCNFOF-CQSZACIVSA-N 448.511 2.860 0 40 IFAB CC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 84734884 NSNPMGRPIOILCV-RISCZKNCSA-N 442.335 2.891 0 40 IFAB O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)Cc1cc(F)ccc1F 96025230 WBBHLCLAQBBUNM-UHFFFAOYSA-N 444.463 2.585 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1 102320068 DWPYLYPPXJXUCQ-NJFASDTFSA-N 443.503 2.923 0 40 IFAB O=C(COC(=O)c1ccccc1NCCO)/N=c1/sccn1Cc1ccccc1Cl 103125281 MPAAQYAXTSJNKJ-DARPEHSRSA-N 445.928 2.940 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 113945822 FCZBKOSKHOLDDI-OAQYLSRUSA-N 430.574 2.622 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225476297 FBSALXMKPUEDRR-GOSISDBHSA-N 446.569 2.988 0 40 IFAB CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 225485493 TUVJZMQQCJHFHG-SFHVURJKSA-N 425.528 2.615 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)=C2)c1 230118683 JPAGQUIAIQVZQO-ZAAXVRCTSA-N 431.558 2.986 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1CN1CCc2ccccc21 245225576 YMDLGCXXGKIUIB-XZUXRINTSA-N 427.504 2.995 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(CN(C)C)cc2)(c2ccccc2)CC[C@@H]1O 257210066 BSZRVDFCALWKBI-GNKBHMEESA-N 437.584 2.856 0 40 IFAB O=C(N1CCO[C@H](c2cnccn2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 257285838 PJCPSOBBOGXUMM-SFHVURJKSA-N 435.933 2.817 0 40 IFAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257316242 VETGXGIKTWNMFH-IBGZPJMESA-N 442.969 2.645 0 40 IFAB Cc1ncsc1CN1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306132167 LAPXEBKOFGIQSF-QZTJIDSGSA-N 442.566 2.683 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@@]2(CCn3ncnc3[C@H]2NC(=O)c2cccs2)C1 306141727 WEXLLOUYVJHNTK-NFBKMPQASA-N 435.553 2.984 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1 408542992 BRASGCDEQHFLEX-UHFFFAOYSA-N 437.345 2.561 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 409390130 JOJOPOBLGVAVIJ-IBGZPJMESA-N 434.514 2.560 0 40 IFAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2ccc3ccccc32)CCO1 585287578 ZFEWMCJJZZXAOE-HSZRJFAPSA-N 441.915 2.847 0 40 IFAB O=C1CN(C(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)Cc2ccccc2N1 1679960845 WFPQSRZXTQTRAG-HNNXBMFYSA-N 432.402 2.975 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(CC3(O)CCN(c4ccc(C)cc4)CC3)CC2)C1 2037845907 HFSNLEZHPZRHMH-HSZRJFAPSA-N 429.605 2.818 0 40 IFAB O=C(Oc1ccccc1Br)c1cccc(S(=O)(=O)N2CCOCC2)c1 797289 DPUAWYNUYYOSRN-UHFFFAOYSA-N 426.288 2.689 0 40 IFAB CC(=O)Nc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 8757138 VCEHWCZAVZUHFQ-UHFFFAOYSA-N 429.542 2.679 0 40 IFAB COc1ccc(OC)c(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 8879587 LNLOZBNGPYNYDD-UHFFFAOYSA-N 443.500 2.818 0 40 IFAB biogenic COc1cc(OC)cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)c1 9252600 SCEHOFJKEDTBLU-RTWAWAEBSA-N 434.496 2.937 0 40 IFAB COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)c(Cl)c4)c3n2)c1O 9346561 BSDMIOVOLQIBJA-UHFFFAOYSA-N 446.250 2.896 0 40 IFAB Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 9530033 FTFFMWZCZKQYBN-DOTOQJQBSA-N 435.596 2.709 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1F 9675380 RCHYYIOWBPJQSH-IRXDYDNUSA-N 433.802 2.859 0 40 IFAB COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C(C)(C)C)cc4)c3n2)c1O 9738963 MOYLIEFJLOJPNI-UHFFFAOYSA-N 433.468 2.886 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 9806300 CTLRUXTUGWDUIG-FQEVSTJZSA-N 443.569 2.828 0 40 IFAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)NC(=O)[C@H]1COc2ccccc2O1 9819791 UBTSHXMUWKPFQD-OAHLLOKOSA-N 442.522 2.916 0 40 IFAB COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2C[C@@H]2CCCO2)c1 9830419 GEZVCIMYUDCBHG-INIZCTEOSA-N 426.498 2.710 0 40 IFAB CCN(CC)CCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 10233412 QMERWUQOZTZFGA-UHFFFAOYSA-N 442.951 2.501 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 11594349 YFLFEPWUCDDWRL-UHFFFAOYSA-N 442.843 2.512 0 40 IFAB CCOC(=O)Cn1cc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c2ccccc21 12222165 RVDKEIZSYFMOSU-UHFFFAOYSA-N 443.507 2.908 0 40 IFAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1F 12627164 ZKJWNQMXGUSYRX-UHFFFAOYSA-N 426.897 2.571 0 40 IFAB CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 12892684 RVCBISNRLBCNKN-UHFFFAOYSA-N 437.518 2.606 0 40 IFAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12913395 CIGXYNNYNKCELN-CQSZACIVSA-N 432.933 2.644 0 40 IFAB COc1ccc(-c2nnc(S)n2CC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 13001874 SBAMHAKZLRYJDK-UHFFFAOYSA-N 425.514 2.614 0 40 IFAB CCCCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)c(F)c1)c(=O)n2CCCC 13074159 QZOLHUUNBWTMQO-UHFFFAOYSA-N 433.459 2.877 0 40 IFAB Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(C)c1 13108843 YPFYZNMATBAOLU-UHFFFAOYSA-N 444.553 2.610 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c1 13114274 YETKWPSIFGLCMR-UHFFFAOYSA-N 449.583 2.644 0 40 IFAB COc1ccc(CCn2ccc3c(cnc4nc(-c5ccncc5)nn43)c2=O)cc1OC 13692224 QSIUKRRDKYREAA-UHFFFAOYSA-N 428.452 2.761 0 40 IFAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)Nc1ccc(I)cc1 13856063 OWNWGISRDQJPBF-OJXGSEEGSA-N 438.265 2.651 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 15607031 LIRNKEXIYPFVMX-FQEVSTJZSA-N 444.553 2.684 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 16550967 JMYVBCOLIHMMMK-HOCLYGCPSA-N 448.416 2.995 0 40 IFAB O=C(CSc1nccn1Cc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 17170391 JFONCQLLSRPOJH-UHFFFAOYSA-N 425.466 2.797 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc(C)n4c(C)csc34)C2)CC1 19520268 ZXEULCHCCAEYEV-QGZVFWFLSA-N 438.619 2.780 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)COc2ccccc2)CCO1 19591830 HCZHOXDLCLVJOM-AREMUKBSSA-N 445.519 2.714 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccccc2-n2cccn2)C3)c(OC)n1 19594755 OVHOSNHUEIHXQL-QRQCMCJISA-N 435.528 2.799 0 40 IFAB CC(C)(C)CN1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699633 QCVARVVXUXXMJF-IBGZPJMESA-N 426.561 2.724 0 40 IFAB COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4ccnn4C)CC3)nc2C)cc1 19763776 QDAXUPHHWYGIDJ-UHFFFAOYSA-N 434.500 2.799 0 40 IFAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 23005226 ADVXLZLJEQWCMK-INIZCTEOSA-N 428.920 2.512 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)C2=O 24067320 FYBNOXKYJXCUMG-NPGVVQFXSA-N 429.517 2.772 0 40 IFAB COc1ccc(C(=O)COC(=O)c2ccccc2S(C)(=O)=O)cc1Br 24162903 FMMCCPIBPPFCAH-UHFFFAOYSA-N 427.272 2.901 0 40 IFAB COc1ccccc1CN(Cc1cccs1)C(=O)Cn1nnn(-c2cccs2)c1=O 24839395 QBJYUSQOSBGWDU-UHFFFAOYSA-N 441.538 2.790 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 36051258 JBQCFXKBRAYSFE-UHFFFAOYSA-N 428.341 2.938 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)c(C)c1 36700315 FCZBMJHBWFFDPN-OAQYLSRUSA-N 431.558 2.695 0 40 IFAB CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)CC1 38206999 VXTRFHPIUXAXML-CXAGYDPISA-N 437.422 2.660 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 38695731 SGTXNGOUXIWKEC-UHFFFAOYSA-N 442.946 2.682 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(F)c(Cl)c1 38773087 SXYWOXGNYOWCJW-UHFFFAOYSA-N 436.896 2.747 0 40 IFAB COC(=O)c1cn([C@@H]2CCCC[C@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 40152711 ASZIXOMBHPJYBW-UKRRQHHQSA-N 431.518 2.697 0 40 IFAB COc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 44903385 LXCRERIJNVQANE-UHFFFAOYSA-N 430.570 2.986 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)c1 57426833 MGKYAYSLVUSKNP-HNNXBMFYSA-N 427.526 2.683 0 40 IFAB CCOc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 59059081 RIZLDMYZMSDSPU-LJQANCHMSA-N 426.513 2.810 0 40 IFAB COc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 65091283 OHKLDUSMEMCFMH-LJQANCHMSA-N 446.569 2.854 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3OC)[nH]n2)cc1 67244818 PNZURXNQXADWND-UHFFFAOYSA-N 446.485 2.879 0 40 IFAB CC(C)(C)NC(=O)CN1CCN(C(=O)CN2Cc3ccccc3-c3ccccc3C2)CC1 69924939 XPCBRKBANGAJDA-UHFFFAOYSA-N 434.584 2.728 0 40 IFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325514 FHCMTOXDZTYOTG-NRFANRHFSA-N 430.892 2.892 0 40 IFAB O=C(CCS(=O)(=O)NC(=O)c1cc2c(nc3sccn32)s1)OCc1ccccc1 89836591 YNRXNVVAAMPGIR-UHFFFAOYSA-N 449.535 2.804 0 40 IFAB O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1cc(-c2cccs2)n[nH]1 96024208 ZURPTJUTMYRIKF-UHFFFAOYSA-N 448.552 2.874 0 40 IFAB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(Br)cc1 96519946 AIDVDGOINDXJTI-IUCAKERBSA-N 439.496 2.855 0 40 IFAB Cc1c(Cl)cc(S(=O)(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1Cl 97143798 BCMMWPGFNNFHGN-QGZVFWFLSA-N 428.297 2.962 0 40 IFAB COc1cccc(-c2noc(CNC(=O)CCCN(c3ccccc3)S(C)(=O)=O)n2)c1 219176202 ITHRNMDEURZEKG-UHFFFAOYSA-N 444.513 2.608 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1OC 220229513 AMLJWWREFADLTG-OAHLLOKOSA-N 438.571 2.767 0 40 IFAB CC[C@H](C(=O)N[C@H](C)COc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220601962 AHGJTCQBYFCPHT-DNVCBOLYSA-N 438.521 2.963 0 40 IFAB COc1ccc(CCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1C 223023001 XVDUUEUYPQWZNO-UHFFFAOYSA-N 448.541 2.604 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223140445 LLHAHIXFLLUWGY-SCTDSRPQSA-N 445.947 2.535 0 40 IFAB O=C(NCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224220202 OMPHSWDKDTZCDU-UHFFFAOYSA-N 448.560 2.995 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCc2ccncc2)s1)c1ccc(Cl)cc1Cl 224728191 DJMGPIHGFNGVAH-UHFFFAOYSA-N 444.325 2.971 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225474821 GZXCDIMXYJRBSP-UHFFFAOYSA-N 440.525 2.796 0 40 IFAB CC1(C(=O)N2CCC[C@H]2c2n[nH]cc2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 257248212 JCQKBRHRSYUMHS-SFHVURJKSA-N 430.574 2.779 0 40 IFAB COc1ccc(C(=O)N2CCC[C@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)c(OC)c1 257261472 LHLOYXGYAXIFEH-KRWDZBQOSA-N 440.544 2.761 0 40 IFAB Cc1c(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n(C)n3)C2)cnn1C 257279111 OFARWOQTINZQEG-OAQYLSRUSA-N 443.935 2.951 0 40 IFAB Cc1cc(CN2CCC3(CC2)Cc2nnc(C(=O)NCC4CC4)n2-c2ccccc2O3)no1 306137234 QQALUVGGMMMAIR-UHFFFAOYSA-N 448.527 2.673 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)on1)C2=O 408668619 VFTPUCMQZPBFOY-UHFFFAOYSA-N 449.419 2.978 0 40 IFAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)C[C@@H](N2CC[C@@H](n3cncn3)C2)C1=O 681590232 GDBJTFDCHWXACX-YLJYHZDGSA-N 449.898 2.741 0 40 IFAB Cc1ncnc(N(C)CC2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1F 1888959788 SZFOSJUEPUGNQU-UHFFFAOYSA-N 433.495 2.801 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2OC)n1C 903376 BTAUDVUACAZNQY-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB COc1ccc(/C=C/C(=O)NC(=S)Nc2c(C(N)=O)cnn2-c2cccc(C)c2)cc1 2622178 VGVUZVITZRERSO-DHZHZOJOSA-N 435.509 2.815 0 40 IFAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3323573 JPMKNLUOSWGZDU-UHFFFAOYSA-N 428.470 2.539 0 40 IFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3534274 CFKXLFQJDPRJOI-XMMPIXPASA-N 432.480 2.534 0 40 IFAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)COc3ccc(Cl)cc3)c2n1 8946693 VAPUOIKJODTGKF-UHFFFAOYSA-N 446.964 2.997 0 40 IFAB CCOc1ccc(CNS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1OC 9153058 YEYDBFCWZCRXMZ-UHFFFAOYSA-N 443.481 2.566 0 40 IFAB COCCn1cc(C(=O)N2CCc3ccccc3C2)c2nn(-c3ccccc3)c(=O)c-2c1 9661557 RJIGBEYWSGOMCE-UHFFFAOYSA-N 428.492 2.984 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccc(F)cc1 9674736 KFQBDQSHXCEMRR-HOTGVXAUSA-N 446.236 2.520 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9727712 KODBCISABFYKFM-IBGZPJMESA-N 443.525 2.523 0 40 IFAB CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)N1CCCCC1 10080298 VVVJXGBQFVTKAY-UHFFFAOYSA-N 443.013 2.620 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(Cl)cc4)cc3c2=O)c(OC)c1 11666398 NYGJCNLUHPOIPH-UHFFFAOYSA-N 439.859 2.867 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)c(OC)c1 11695334 VZMRNTNQNWMXSQ-UHFFFAOYSA-N 440.525 2.672 0 40 IFAB COc1ccc(OCCCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 12509131 ALGRNYFQGJDANO-UHFFFAOYSA-N 441.528 2.788 0 40 IFAB CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cc(C)on1 12812789 HBHMHZQDOHLWFQ-KRWDZBQOSA-N 437.408 2.946 0 40 IFAB CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3ccc(F)cc3)no2)cc1OCC 15082003 MMOSVMUMOSENNK-UHFFFAOYSA-N 442.447 2.833 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 15244219 IRGZEYULDDZVRI-UHFFFAOYSA-N 448.497 2.590 0 40 IFAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2C)cc1 17135911 JTUOFGFZVBAIKD-UHFFFAOYSA-N 435.509 2.844 0 40 IFAB Cc1cn(CC(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)nn1 19238763 HYWSRKXJSQSPQQ-UHFFFAOYSA-N 444.474 2.906 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccc5c(c4)CCCO5)C3)[nH]c(=O)c2C1 19345760 VZIUIICUSXVTQK-HXUWFJFHSA-N 448.567 2.769 0 40 IFAB O=C1CCC[C@]2(CN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)C[C@H]2c2cccc(F)c2)N1 19369905 XHBSLUPYYJXSFL-LIXHSBQKSA-N 449.526 2.807 0 40 IFAB Cc1cc(N2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)nc(C)n1 19759402 SVTNXONHZUAAQH-JOCHJYFZSA-N 433.512 2.692 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1C 20008632 GBSIQKKQRFOJJQ-OAQYLSRUSA-N 439.537 2.605 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244348 XXICGDFEVXNDLZ-HXUWFJFHSA-N 438.638 2.687 0 40 IFAB COc1ccc(OCCOC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 20866298 YFFIXKOGAWGOFP-UHFFFAOYSA-N 448.541 2.782 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC)c(OC)c2)c1 22229937 FLLBHPVQDRYTKQ-QGZVFWFLSA-N 434.514 2.813 0 40 IFAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22268590 MKNODAWZDOYUSD-OAQYLSRUSA-N 448.585 2.826 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CCN(C)CC2)cc1 22795611 GQHSCVDSTBNXDM-NRFANRHFSA-N 444.963 2.700 0 40 IFAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 23994645 CIPDYEXPKDZSJK-RUZDIDTESA-N 434.540 2.641 0 40 IFAB Cc1cccc(-n2c(SCC(=O)N3CCNC3=O)nc3cc(Cl)ccc3c2=O)c1 24915728 SVOCABNJOJVVFT-UHFFFAOYSA-N 428.901 2.991 0 40 IFAB Cc1c(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C 25315103 BRZGVZHRGDVWAL-UHFFFAOYSA-N 446.554 2.583 0 40 IFAB Cc1cc2nc(NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3ccccc3n2n1 26761797 FLCOYAFILXRJDD-UHFFFAOYSA-N 437.525 2.824 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664404 MFKHXFHMYVBDGS-GJYPPUQNSA-N 440.374 2.513 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1)N1CCCCC1 32823645 OIXAWFXVNPRHSG-UHFFFAOYSA-N 429.492 2.768 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)cc1 33278743 BPBLEKIHIAVJHD-UHFFFAOYSA-N 435.480 2.629 0 40 IFAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cccc2c1=O 36395131 GJLPHXSHBHSVCQ-UHFFFAOYSA-N 445.519 2.805 0 40 IFAB COc1cccc2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@H]4c4cccs4)CC3)c(=O)oc12 38730708 QINHOPIEUKLPGW-HZPDHXFCSA-N 438.505 2.951 0 40 IFAB COc1ccc(N2C(=O)C[C@]3(CC(c4cc(OC)c(OC)cc4OC)=NO3)C2=O)cc1 40266368 QWODXDNOCOPASF-JOCHJYFZSA-N 426.425 2.548 0 40 IFAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44853007 UQLRTJJNYVHYFN-LIRRHRJNSA-N 438.933 2.759 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@@H]1c1ccc(OC)cc1 49605844 ADFFSZVJACTIJC-UNMCSNQZSA-N 429.561 2.712 0 40 IFAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1C 58310338 OHOIWLHYXFAHFB-UHFFFAOYSA-N 448.522 2.722 0 40 IFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 67198507 FFBBNXXSCWTFAI-UHFFFAOYSA-N 437.496 2.603 0 40 IFAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(OC)cc(OC)c3)c2C)cc1 71327270 CXYOLXAUSJMICV-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB COC(=O)c1nc(NC(=O)COc2cn(C)c(C)cc2=O)sc1-c1ccccc1OC 72406189 HCCPZTPRQYWMLM-UHFFFAOYSA-N 443.481 2.630 0 40 IFAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 77101110 FGWVINXAAMIQQJ-UHFFFAOYSA-N 442.463 2.561 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)cc1 78935828 TXUAGYMMONHGKM-UONOGXRCSA-N 436.534 2.670 0 40 IFAB COCc1cc(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(-c2ccncc2)n1 90610180 VNAJBKJMZBQTTL-UHFFFAOYSA-N 444.875 2.761 0 40 IFAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 95397011 ZTHDIPAUUVCIBW-QGZVFWFLSA-N 449.960 2.897 0 40 IFAB COc1cccc([C@@H]2[C@H](C(=O)N[C@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 95463666 OOKYKCHLJIJJKX-FQQGMQMYSA-N 435.524 2.568 0 40 IFAB COc1cc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCOCC2)cc(OC)c1OC 96117132 QHLDQBQXEHCYCJ-GOSISDBHSA-N 435.502 2.741 0 40 IFAB COc1ccc2cnn(CC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)c2c1OC 96231558 UVKHAVDWHBAYTP-UHFFFAOYSA-N 435.484 2.661 0 40 IFAB NC1(C(=O)N2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CCCCC1 97019873 RWSZVYKSPBQFQJ-UHFFFAOYSA-N 428.537 2.907 0 40 IFAB COCCn1nc(C)c(NC(=O)C(=O)NC2(c3ccc(Br)cc3)CC2)c1C 97229674 JREVSYMXPIHYBB-UHFFFAOYSA-N 435.322 2.653 0 40 IFAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(C(=O)c2ccncc2C)C3)c(OCC)n1 100152909 FXCFUAVYPCOOAV-IRXDYDNUSA-N 426.517 2.737 0 40 IFAB COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 100455061 SRECDMCLFAYYPY-HDICACEKSA-N 440.500 2.659 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 104673150 QGBBBPRGXZCWRC-ABHRYQDASA-N 433.892 2.903 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219438384 HQOBYQFOVSWRLT-UHFFFAOYSA-N 436.873 2.690 0 40 IFAB COc1cccc(N(CCCC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 222590719 AYLMNAUIDRHGCB-UHFFFAOYSA-N 426.560 2.884 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1 223056171 ZAPMPBQFSXUDHC-UHFFFAOYSA-N 432.498 2.630 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4ccccc4Cl)no3)ccc21 223913533 HMTWBSGGJMNJQT-UHFFFAOYSA-N 432.889 2.778 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(C)c(C)c3)C2)cc1 224216071 SXOXNUVVHYHEIN-LJQANCHMSA-N 446.569 2.908 0 40 IFAB CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 224314691 KRHMQIHUKUOIBY-UHFFFAOYSA-N 439.541 2.846 0 40 IFAB CCOc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)ccc1OC 225862048 BOBHKPLFMVOWET-UHFFFAOYSA-N 438.571 2.753 0 40 IFAB COc1cc(-c2cc(C(=O)N[C@H](Cn3nccn3)c3ccccc3)[nH]n2)cc(OC)c1OC 253473278 TYSBJITWQVRAMK-LJQANCHMSA-N 448.483 2.865 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 257242936 IEUNOXBSDNQFGU-IBGZPJMESA-N 432.524 2.798 0 40 IFAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)CC1(CC(=O)O)CCCC1 257263619 LQTNCTQIIRDGGR-UHFFFAOYSA-N 428.533 2.549 0 40 IFAB Cn1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O 257298473 RLTXNHCLJVWQHC-FQEVSTJZSA-N 442.903 2.597 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408594264 OFRWJMMQPBLVAJ-LBPRGKRZSA-N 440.905 2.831 0 40 IFAB Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c(C)c1 585274201 UPCYHQTYSSHELV-HSZRJFAPSA-N 428.573 2.886 0 40 IFAB O=C(NCc1nnnn1-c1ccccc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 593533333 XYXKVAAKDAABOH-MRXNPFEDSA-N 448.462 2.941 0 40 IFAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555551 AZLZUGAYHIRQMS-DEOSSOPVSA-N 441.528 2.766 0 40 IFAB O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1345772 PNQHXWOGFHVZAP-UHFFFAOYSA-N 427.448 2.818 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 3286356 XKGJUAWIIFVOFX-UHFFFAOYSA-N 441.475 2.918 0 40 IFAB O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 9168279 CHGOLNXNGIBMPQ-UHFFFAOYSA-N 430.461 2.915 0 40 IFAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2F)s1 9405074 UMFDWDUVLIYNLU-UHFFFAOYSA-N 436.490 2.515 0 40 IFAB Cc1cccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c1 9435529 KEGMQRGCIBMBFE-UHFFFAOYSA-N 429.517 2.571 0 40 IFAB CCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 9714514 LTLTYYBWZCDCRG-UHFFFAOYSA-N 439.456 2.570 0 40 IFAB COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)cc1OC 9761990 OJAGCGUVRZLHHE-UHFFFAOYSA-N 425.463 2.685 0 40 IFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 9797825 YDHNUZDEIPZZBH-UHFFFAOYSA-N 433.482 2.704 0 40 IFAB COc1cc(Cl)c(C)cc1-n1ccn(CC(=O)NCc2ccccc2Cl)c(=O)c1=O 9808659 GBGUEBXPRWLMMY-UHFFFAOYSA-N 448.306 2.939 0 40 IFAB COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2C[C@H]2CCCO2)c1 9830420 GEZVCIMYUDCBHG-MRXNPFEDSA-N 426.498 2.710 0 40 IFAB COc1ccc(OCCSc2nc(C)nc3c2c(=O)n(C)c(=O)n3CC(C)C)cc1 9964722 XFEGLBHUVFIRLJ-UHFFFAOYSA-N 430.530 2.634 0 40 IFAB Cc1ccc(Sc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1C 10021771 ZDSVWWXGIMYRIW-UHFFFAOYSA-N 449.536 2.840 0 40 IFAB Cc1cc(O)c(Cc2c(O)cc(C)n(Cc3ccccn3)c2=O)c(=O)n1Cc1ccccn1 10217793 ORKUNLTXEPNWOW-UHFFFAOYSA-N 444.491 2.515 0 40 IFAB COc1ccc(F)c(C[C@]2(CCC(=O)N(C)C[C@@H](O)c3ccccc3)CCC(=O)N2)c1 11783482 AXCLSLQJVVPSEI-ZJSXRUAMSA-N 428.504 2.998 0 40 IFAB CCCOc1cc(N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3C)CC2)nc(C)n1 12224802 BFYFDRXJJFTLFW-UHFFFAOYSA-N 434.562 2.710 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C)n1 12231527 CHHQVODXKRKNCY-UHFFFAOYSA-N 426.908 2.982 0 40 IFAB CN(Cc1ccco1)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 12526386 RTPMJKDLVVGOFX-UHFFFAOYSA-N 426.454 2.522 0 40 IFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(Br)cc1 12911988 WRMRDWWKHNJOSZ-UHFFFAOYSA-N 436.281 2.805 0 40 IFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1 13071606 DHEZOBJIRWXCNI-LFIBNONCSA-N 441.582 2.979 0 40 IFAB O=S(=O)(c1ccc(NC(=S)NC[C@H]2CCCO2)cc1)N1CCc2ccccc2C1 13323884 GBSLNZRHURAEPT-LJQANCHMSA-N 431.583 2.899 0 40 IFAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCO2 13501927 ATEGRIRTEMCYAC-UHFFFAOYSA-N 446.529 2.786 0 40 IFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCc3cc(OC)c(OC)cc3C2)C1=O 14181804 KJXWYTAVAURERF-DEOSSOPVSA-N 439.512 2.885 0 40 IFAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O[C@H](C)C(=O)O 16606793 ZSWLHFCJYIPSAS-CWTRNNRKSA-N 443.431 2.953 0 40 IFAB O=C(c1ccccn1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19399993 FKVFDMZFAUFBFZ-INIZCTEOSA-N 435.553 2.805 0 40 IFAB COc1ccccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19571389 HNCIMGZBPDLABG-JKIFEVAISA-N 439.438 2.892 0 40 IFAB Cn1nc(C(=O)NCCc2nc(-c3ccccc3)ncc2C(N)=O)cc1-c1ccc(F)cc1 19697186 UAEZAOMTLXAQIF-UHFFFAOYSA-N 444.470 2.755 0 40 IFAB Cc1nnc2n1C[C@H](c1cccc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)c1)CC2 19698123 FDGYJSLIUSBCBA-GOSISDBHSA-N 442.516 2.659 0 40 IFAB CN(CCO)C(=O)c1cc([C@H]2CCN(Cc3cccnc3N(C)C)C2)nc2ccccc12 19761767 RHEKNWFSANCDRA-SFHVURJKSA-N 433.556 2.750 0 40 IFAB CNC(=O)c1cc([C@@H]2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)nc2ccccc12 19762012 YTBFLKUQDFNJBX-QFIPXVFZSA-N 439.537 2.973 0 40 IFAB COc1ccc(CCN2C(=O)[C@@](NC(C)=O)(C(F)(F)F)N=C2c2ccccc2)cc1OC 19939464 JZKGRGFQTZXXMK-NRFANRHFSA-N 449.429 2.930 0 40 IFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 20802410 FKYYWPSGGRGHAL-UXHICEINSA-N 439.468 2.512 0 40 IFAB CCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1nn(CC)c(=O)c2ccccc12 21266185 GZHDFMGNTHGFCL-UHFFFAOYSA-N 441.459 2.770 0 40 IFAB O=C(NCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(NC(=O)C2CCCC2)cc1 21683103 GROODIDGQSABEP-UHFFFAOYSA-N 433.505 2.663 0 40 IFAB CC(C)CN1CCO[C@@H](CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1 22694214 VDQAPZLWPRDMTP-SFHVURJKSA-N 449.548 2.713 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 22714366 WUYLCUWNQJKIJY-UHFFFAOYSA-N 447.479 2.742 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 24830935 GRPCLHDWTWBLLU-UHFFFAOYSA-N 440.525 2.622 0 40 IFAB CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 30850853 XCITVPNXWONBGS-UHFFFAOYSA-N 439.597 2.606 0 40 IFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 30852167 VRUXLFKMMSMQNT-UHFFFAOYSA-N 428.466 2.938 0 40 IFAB C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1Cl 32759351 GPZYNFKEXAJXFN-HNNXBMFYSA-N 439.940 2.663 0 40 IFAB Cc1cnc2c(S(=O)(=O)N3CCN(CC(=O)NC4CCCCCC4)CC3)cccc2c1 32824011 VOHGCSYVGQHLOU-UHFFFAOYSA-N 444.601 2.689 0 40 IFAB O=C(NCc1ccccc1)N1CCN(C(=O)c2cccc(I)c2)CC1 32876137 QMHQRSWYUCFNPY-UHFFFAOYSA-N 449.292 2.959 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCO[C@H](c2ccc(Br)cc2)C1 48366461 CHNFHNKZSOQPPU-SFHVURJKSA-N 428.286 2.828 0 40 IFAB Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1 49002224 UMIOWUWVPKNPPL-UHFFFAOYSA-N 426.423 2.858 0 40 IFAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)cc2c1 57589455 MCBUYXCINDYNKF-QFIPXVFZSA-N 448.502 2.557 0 40 IFAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC[C@H](c4ccnc5ncnn45)C3)cc2n1 72334867 QSVHXIPUXPKBLK-LBPRGKRZSA-N 430.394 2.514 0 40 IFAB CC[C@H](C(=O)NCc1ccc(C)cc1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O 77199990 KDXDBKBYEUFJQA-LJQANCHMSA-N 430.468 2.931 0 40 IFAB Cn1ncnc1COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 84304011 WGQRDINNJYYJFJ-UHFFFAOYSA-N 447.948 2.558 0 40 IFAB COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 86131590 USQZDYOWAJTBII-UHFFFAOYSA-N 445.585 2.874 0 40 IFAB CN(Cc1ncc(C2CC2)o1)C(=O)CNC(=O)c1ccccc1I 89364910 YABPZNAUTVJPAY-UHFFFAOYSA-N 439.253 2.545 0 40 IFAB O=C(NCC1([C@@H](O)c2ccccc2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 89825929 HPAOSJQSWJRRTP-RTWAWAEBSA-N 428.554 2.860 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)[C@@H](c3ccco3)C2)cc1 102381663 SEMNONKIKNRDCV-WSTZPKSXSA-N 433.464 2.917 0 40 IFAB COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Br)cc2)c1 102690196 NEQYFFVJHRIPRS-CEXWTWQISA-N 442.313 2.993 0 40 IFAB COc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 103155136 HMFVNIBUVSOZIM-YRXWBPOGSA-N 447.896 2.848 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCCCO)cc1 222954223 PZZXNBCWAVZPIG-INIZCTEOSA-N 434.920 2.643 0 40 IFAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1N1C(=O)CCC1=O 224471940 LXWCMNUAOYMLIQ-UHFFFAOYSA-N 434.539 2.560 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c1 224598523 OEJVJSLOVXHALR-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225207536 TYZAKRDVOVISIK-IBGZPJMESA-N 445.585 2.705 0 40 IFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229617381 UCASHEFULBEDKL-HCXYKTFWSA-N 438.281 2.917 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)n1 257319827 VUFGCCZSGKXHCO-NRFANRHFSA-N 438.915 2.791 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(OC)c1 408669533 WKJMGDCFOCUGKV-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409065315 FXYRDBUJWRNRNV-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)c(Br)c1 409135155 VAVCYSRRKNFMLU-CYBMUJFWSA-N 446.301 2.613 0 40 IFAB CC(C)c1nc2ccccc2n1CC(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 2037880254 ZLWQASRYZSQOFF-HSZRJFAPSA-N 425.508 2.842 0 40 IFAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 2659743 XMXOJCRDLDVHOT-UHFFFAOYSA-N 435.502 2.744 0 40 IFAB COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC 2724038 FEIKXXXHWYWLAL-UHFFFAOYSA-N 448.526 2.541 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)N1CCOCC1 3292944 YXKOFMGHNKVPKP-UHFFFAOYSA-N 447.463 2.938 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 3320054 YVUXCXNUDKSKCT-UHFFFAOYSA-N 436.555 2.948 0 40 IFAB COc1ccc(CN(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1 4848224 JXLAMKCPKNMISU-UHFFFAOYSA-N 426.517 2.752 0 40 IFAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1nc2ccccc2[nH]1 6173445 KZQPUBYYRUBTEP-ZDUSSCGKSA-N 448.932 2.728 0 40 IFAB CSCC[C@@H](CO)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 8765361 IXTZGBVDNFJDBE-HNNXBMFYSA-N 429.494 2.775 0 40 IFAB biogenic O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)NCc1ccco1 8921626 FRAIEQPBBJFJTO-UHFFFAOYSA-N 425.393 2.914 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1nc2ccc(Cl)cc2n1CCO 9120728 JKIOSUZKLYVUIY-UHFFFAOYSA-N 441.871 2.802 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1ccccc1)Nc1nccs1 9279153 VWOPHGWVUMKRNP-UHFFFAOYSA-N 440.510 2.978 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9313990 HLRSUOOYGGUJEN-QFBILLFUSA-N 430.526 2.878 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 9418434 RPUDAMLERHQJSW-VQIMIIECSA-N 429.542 2.923 0 40 IFAB C[C@H](NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)c1cccs1 12086030 WNWZWHHHSGYAFG-AYSMAOOMSA-N 426.542 2.878 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)n1 12166191 IJWNGZWLNQWITI-UHFFFAOYSA-N 427.482 2.779 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)c(C)c1 14342481 ZYIVORJQNIEFSP-UHFFFAOYSA-N 432.571 2.707 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022015 KBYNEFDHULKTTC-WPMYHTOXSA-N 434.334 2.624 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@@H](NCC3CCN(Cc4cccs4)CC3)C2=O)cc1 18220156 ZTJHDDTUFVYKCV-HXUWFJFHSA-N 441.553 2.668 0 40 IFAB COCCC(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 19081211 WCLNXOLTHUAQAL-QGZVFWFLSA-N 432.565 2.677 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3cccs3)[nH]c(=O)c2C1 19239478 CURRWMOXUGIHIO-GOSISDBHSA-N 449.536 2.711 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 19703036 RQUDAYJGFRQINO-INIZCTEOSA-N 447.463 2.913 0 40 IFAB COc1cc(C)ccc1CN1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703264 NUBPTTWQLHLYFD-LJQANCHMSA-N 441.553 2.909 0 40 IFAB Cc1cc(C)n(-c2cc(C(=O)N3CCC(c4ncc(C(N)=O)c(C)n4)CC3)ccc2F)n1 19766642 LXZUAQBUROIXSI-UHFFFAOYSA-N 436.491 2.845 0 40 IFAB Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCc2ccccc2C1 21155537 GOKOCPXIUBIYHI-QHCPKHFHSA-N 434.515 2.696 0 40 IFAB O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22916628 OPLJEWIACRGGDY-HXUWFJFHSA-N 448.947 2.643 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 23057664 RMJXZOQWYHHCNZ-LEWJYISDSA-N 440.632 2.761 0 40 IFAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 33499827 OPRGAHNYESDSTG-UHFFFAOYSA-N 439.541 2.835 0 40 IFAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3cccc(Cl)c3)c(COC)nn12 40385162 HJAXYWDCFHRMIM-UHFFFAOYSA-N 432.864 2.873 0 40 IFAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1)CC(=O)N2 40390479 QEJGZXVOGCBZPE-HOCLYGCPSA-N 425.489 2.612 0 40 IFAB CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(CC)Cc3ccco3)s2)cc1 41085556 ICCWQLLGTOHPDF-UHFFFAOYSA-N 436.515 2.993 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1OC 44874878 CRDRFCSZBUJQFN-UHFFFAOYSA-N 431.558 2.519 0 40 IFAB O=C(NCc1cccnc1-n1cncn1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 48234637 RLJANKMSVAQLJZ-HNNXBMFYSA-N 431.422 2.609 0 40 IFAB CCCCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1=NCCS1 48263595 WSDACQJPUOTKFC-OAHLLOKOSA-N 427.567 2.958 0 40 IFAB C[C@H](NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)c1cccs1 72326829 WNWZWHHHSGYAFG-DFFLPILJSA-N 426.542 2.878 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(F)c4)[C@@H]3C2=O)cc1Cl 101168848 FUCVEDWQHNSZPN-ROUUACIJSA-N 445.838 2.728 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)c1ccccc1F 219243861 UNQLWMCKVAYMJS-KRWDZBQOSA-N 435.521 2.857 0 40 IFAB CCOc1ccc(N(CCCC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 222620507 PDMBOVAGDLBZLE-UHFFFAOYSA-N 434.514 2.677 0 40 IFAB C[C@@H]1Cc2ccccc2N1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225068842 CNHWQQRNXXZZMQ-CYBMUJFWSA-N 437.591 2.642 0 40 IFAB O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1ccn(C(F)F)n1 257323735 WLQCQJZABSGMSV-SXWKCWPCSA-N 448.514 2.582 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1 260592244 RDOLQESIHGLLRK-SJORKVTESA-N 434.558 2.996 0 40 IFAB C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 306144988 ZUBCFACKRSREFP-LMNJBCLMSA-N 440.569 2.634 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831664 TYXVYQVPLPRVHC-YWZLYKJASA-N 448.491 2.706 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 408602115 HTLGPMAOKKVXGK-LBPRGKRZSA-N 440.905 2.815 0 40 IFAB COc1ccc(Cl)cc1CS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 500327097 JHBVXSMMYVGKFK-UHFFFAOYSA-N 426.897 2.776 0 40 IFAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 500539576 HPGADVDLPXIUEG-NSHDSACASA-N 436.896 2.527 0 40 IFAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CCCN(c2ncccn2)C1 524729538 XSQJJYSUMVENMR-FDFHNCONSA-N 429.609 2.823 0 40 IFAB biogenic CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)c1cccc(C(F)(F)F)c1 561425598 LOLNXPGELUZVLR-MJGOQNOKSA-N 440.510 2.557 0 40 IFAB O=c1c2ccccc2ncn1[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 575617683 QIHNVRNLAFCTBW-SFHVURJKSA-N 435.509 2.608 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147554 QRMKPIOYKHVLDY-UHFFFAOYSA-N 446.504 2.755 0 40 IFAB CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCC(=O)N2CCCC2)cc1 585269799 KGFMNFTWSVGJSI-NRFANRHFSA-N 442.556 2.958 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CCC[C@]4(COc4ncc(F)cn4)C3)nn2)n1 1888922119 LLBNAVMQAOKWJZ-KSFYIVLOSA-N 437.479 2.530 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)CC1 1891148751 QMMQPYGWWQEKJR-UHFFFAOYSA-N 436.965 2.661 0 40 IFAB O=C1N[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]2CCCCCOc2ccccc21 2037844597 ZAGINALZRGOVPQ-FXAWDEMLSA-N 433.512 2.943 0 40 IFAB CCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OCC 2377442 OTFYIWDJJXHCOI-RCCKNPSSSA-N 449.532 2.837 0 40 IFAB O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)N1CCN(c2ncccn2)CC1 2779165 OXEKNEALMWRQGN-UHFFFAOYSA-N 428.846 2.962 0 40 IFAB CCN(C(=O)CSc1nc(C)nc2sc3c(c12)CCC3)[C@@H]1CCS(=O)(=O)C1 3411714 GHORBLORNKZRMZ-GFCCVEGCSA-N 425.601 2.616 0 40 IFAB COC(=O)[C@H](CSCc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1 5339658 CZDJLEBHQCQYAU-IBGZPJMESA-N 430.526 2.894 0 40 IFAB COc1ccc(CCNC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)cc1 8808507 AMHKROBXXKHEPW-UHFFFAOYSA-N 429.542 2.811 0 40 IFAB CSc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 8936097 JVFPEWOTTVWQIX-JOCHJYFZSA-N 441.509 2.976 0 40 IFAB COc1cc(C(=O)NCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 9127902 FNMVUVRMTBIGEZ-UHFFFAOYSA-N 445.512 2.771 0 40 IFAB Cc1ccc(C)c(C(=O)CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 9284380 NYICPJJSZGDPRG-UHFFFAOYSA-N 426.542 2.917 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9742966 BXUUCOBFGDJFFR-IBGZPJMESA-N 429.542 2.683 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nn1-c1ccccc1 9744209 WJPREUYIZCASGE-UHFFFAOYSA-N 438.509 2.578 0 40 IFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)c(F)c1F 10229588 XITMIUMZLVTDJE-UHFFFAOYSA-N 439.419 2.969 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 11330563 VOTXKWPTDLCRKH-UHFFFAOYSA-N 440.468 2.833 0 40 IFAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 11906658 SHPXZSXRDUCVQN-UHFFFAOYSA-N 438.527 2.629 0 40 IFAB COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1 12071644 HTTOJBSYSKDRQC-UHFFFAOYSA-N 449.486 2.538 0 40 IFAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C 12422567 NUJFBVZPFQGFSH-UHFFFAOYSA-N 426.424 2.974 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(C)nsc2NC)NC(=O)N[C@H]1c1cccs1 12686860 ZHCPZMMQEDOMIU-AWEZNQCLSA-N 436.515 2.583 0 40 IFAB COc1ccc([C@@H]2N(C(=O)CN3CCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 12867462 GDGQPSDKTDWXQH-HSZRJFAPSA-N 443.569 2.631 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(Br)cc1 12999640 DCALGOHSUUOQFV-UHFFFAOYSA-N 427.320 2.889 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5cccc(C)c5)CC4)ncnc32)cc1 13036866 WRRKRNWFKBCULZ-UHFFFAOYSA-N 443.511 2.555 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)NCc1ccccc1Cl 13532943 KUGRGPQGPJKBNJ-UHFFFAOYSA-N 429.885 2.836 0 40 IFAB COc1cccc2sc(N(Cc3cccnc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc12 16847957 SIMOHURLQPPFGZ-HNNXBMFYSA-N 446.554 2.657 0 40 IFAB Cc1cnc(C(=O)N2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19238830 FNYHEDBPVFEEBU-DYESRHJHSA-N 425.508 2.735 0 40 IFAB C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19463427 DBZUUQWHTJEADB-RIFZZMRRSA-N 426.561 2.945 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 19744401 IZTLDDUNTKEPAW-IBGZPJMESA-N 442.523 2.727 0 40 IFAB O=C(Cn1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1=O)Nc1nccs1 19749321 NDAWSYZBAQBYCZ-UHFFFAOYSA-N 429.527 2.921 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1nc(-c2cccs2)no1 21589045 YYAYHAQBQQMEQQ-UHFFFAOYSA-N 436.515 2.628 0 40 IFAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc3c(c1)OCO3)S(C)(=O)=O)CC(C)(C)O2 22368333 CRFMLOYMJFQDDJ-QGZVFWFLSA-N 446.525 2.908 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(C)cc3C)C2)cc1 24388826 UGOFZTFWNOSYQX-IBGZPJMESA-N 446.569 2.908 0 40 IFAB Cc1cc(NC(=O)[C@@H](NCCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)no1 28622520 UKWUMNASWUHINJ-SFHVURJKSA-N 425.489 2.507 0 40 IFAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](O)CC(C)=C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]2[C@]1(O)C(C)C 31157355 KHLABRVSJLTKHQ-GPSBYCFDSA-N 432.513 2.974 0 40 IFAB biogenic,in-vitro Cc1cccc(-c2nnc([C@H](C)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)o2)c1 32889898 MLCDPMUJDBTYGU-SFHVURJKSA-N 433.578 2.844 0 40 IFAB O=C(CN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)Nc1ccc(F)cc1F 32909541 YJYAVLAOTYSZMJ-UHFFFAOYSA-N 425.382 2.963 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1 33440921 SBMZPDXQXQAZEY-JOCHJYFZSA-N 428.920 2.895 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092929 MFKHXFHMYVBDGS-JTDSTZFVSA-N 440.374 2.513 0 40 IFAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945296 ZUWJPPGPZGNSJL-QHCPKHFHSA-N 446.551 2.618 0 40 IFAB O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 58085877 XRBSUBBULCVGMB-RTBURBONSA-N 435.981 2.542 0 40 IFAB CCN1C[C@@H](CN(C)C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 58155422 SYIPVXAMMQYVTP-TZIWHRDSSA-N 438.507 2.650 0 40 IFAB COc1cc(CCC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc(OC)c1 58161588 ZURRCFNQQDNCJD-UHFFFAOYSA-N 438.590 2.547 0 40 IFAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(CC(C)(C)O)C1CCOCC1 72308458 AVVZISFWJBGTOZ-UHFFFAOYSA-N 433.332 2.970 0 40 IFAB CNc1cc(Nc2nccc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)ncn1 72377721 HTXVYUHOQQLQNQ-CQSZACIVSA-N 443.508 2.759 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cnn(C)c1 72403221 YFHATYJNGGKDJI-LBPRGKRZSA-N 425.320 2.586 0 40 IFAB CN1C(=O)c2cccc3c(S(=O)(=O)N4CCC[C@H]4C(=O)Nc4nccs4)ccc1c23 83881758 YTANPVCKTYYYNF-HNNXBMFYSA-N 442.522 2.678 0 40 IFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C[C@@H](CC(=O)O)c2cccs2)CC1 90607344 OALWSFDXQDXAMP-AWEZNQCLSA-N 436.559 2.525 0 40 IFAB CCOC(=O)C[C@@H](O)CSc1nnc2n(-c3ccccc3C)c(=O)c3ccccc3n12 95980782 JJRLQCVESOHKIA-OAHLLOKOSA-N 438.509 2.748 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@H](O4)[C@H](C(=O)NC4CCCC4)[C@@H]5C3=O)nc2c1 101238375 IYFIFVRJEYGKAR-CTWQGKMFSA-N 425.510 2.650 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@](C)(CC)[C@@H]3C2=O)cc1 138250083 XWCNBSANBFCENW-KQHSUYLTSA-N 432.523 2.945 0 40 IFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC 206801787 QQOHZBODTQJWKT-BBRMVZONSA-N 433.432 2.687 0 40 IFAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 218809499 BEUKOJAPVOZNIG-UHFFFAOYSA-N 443.550 2.761 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 224130020 SAQUVSSIRLAPFC-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224642577 UVYHEVOICMUKMC-LJQANCHMSA-N 445.585 2.705 0 40 IFAB O=C(CSCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761283 XEIJDPKUGAKXET-UHFFFAOYSA-N 427.501 2.926 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)[C@H]1O 253389944 VMCFTVWDHVWSOB-QTANEDGKSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro O=C(COc1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257201724 AITVQXXZIXASIV-QHCPKHFHSA-N 447.539 2.842 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257291228 QGENJFKTTXGVNS-VWFBZHOWSA-N 425.529 2.776 0 40 IFAB CC(=O)N1CCC(Cc2cnc(-c3cnc(CC4CCN(C(C)=O)CC4)cn3)cn2)CC1 257328262 XEWKYUIIZRDLRU-UHFFFAOYSA-N 436.560 2.536 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)c3cccc(N4CCCC4)c3)C2)nc2c1CN(C(C)=O)CC2 257339997 ZEBZFCAJCYYMGX-LJQANCHMSA-N 448.571 2.653 0 40 IFAB CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306126543 DYTMTPNGONNGEC-XUZZJYLKSA-N 433.560 2.611 0 40 IFAB Cc1ccc(CN2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(C(=O)NC(C)C)C2)s1 306135041 OFTZMOCTBFRYSX-QHCPKHFHSA-N 441.601 2.637 0 40 IFAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1ccc2c(c1)OCO2 408565895 DDHVTKWWPXBOIX-UHFFFAOYSA-N 447.491 2.882 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408651961 BWOQYLXCBPZCFZ-MASOJFRBSA-N 439.295 2.895 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(C)o1 408980625 GDSHASIRBXGIEC-XGHXRCDJSA-N 426.469 2.839 0 40 IFAB O=C(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N[C@@H]1CCN(c2ncccc2F)C1 540954624 NGDJKZYNWZWPGN-DLBZAZTESA-N 439.470 2.511 0 40 IFAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)CCc2ccc(Cl)cc2)CCO1 585285473 YRAFEIVERHAAGM-JOCHJYFZSA-N 434.895 2.964 0 40 IFAB COc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)cc(OC)c1OC 1888994974 XSBHQIRLDRUQSC-IAGOWNOFSA-N 436.512 2.808 0 40 IFAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1889090990 SBBRVFMENCZFOM-QGZVFWFLSA-N 434.374 2.559 0 40 IFAB CCOc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)C3)[nH]c2c1 1424221 CWIZLCUQWDHVRB-UHFFFAOYSA-N 446.554 2.544 0 40 IFAB COC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 2135595 VNGNXYUNZYSBGK-UHFFFAOYSA-N 449.554 2.870 0 40 IFAB COc1ccc(C(=O)c2sc3c(c2N)c(=O)n(C)c(=O)n3-c2ccccc2)cc1OC 3226883 YIXSSIHNTZFTJC-UHFFFAOYSA-N 437.477 2.581 0 40 IFAB CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 3320145 DZHMUUZHUBURIR-UHFFFAOYSA-N 436.917 2.774 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc21 6147884 HIGPIFMNTPLTMV-UHFFFAOYSA-N 448.570 2.664 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)nc(C)n1 6156121 SILUVYOYOLFCJQ-IAGOWNOFSA-N 432.502 2.724 0 40 IFAB Cc1cc(C)c(OCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 8986970 IEKBOCODFIDMJA-UHFFFAOYSA-N 436.505 2.789 0 40 IFAB CCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 9119291 IRILXMLADWWQTF-UHFFFAOYSA-N 446.500 2.839 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288695 DOEBUPWMQSDTDF-AWEZNQCLSA-N 433.505 2.894 0 40 IFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Br)cc1 9464936 OREURFQFBQHKAD-UHFFFAOYSA-N 432.318 2.996 0 40 IFAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9466449 QHMCRUHFOUUKPZ-UHFFFAOYSA-N 425.438 2.802 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(N(C)C)cc2)NC(=O)N[C@@H]1c1cccs1 10390740 YETQFLGNODXIFN-GOSISDBHSA-N 429.498 2.842 0 40 IFAB CC1CCN([C@@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccco2)CC1 11998607 YTFPHWKTYMZTCX-IBGZPJMESA-N 445.541 2.549 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3ccc(C(N)=O)cc3F)C1)O2 12237164 ZRJLDRAWISIYGX-SZNDQCEHSA-N 426.444 2.819 0 40 IFAB O=S(=O)(c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1)N1CCOCC1 12274132 UVSBLRDNHHPKRK-UHFFFAOYSA-N 427.511 2.541 0 40 IFAB CCN(CC)S(=O)(=O)N1CCN(Cn2ccn(-c3ccc(C)cc3C)c2=S)CC1 12588566 UVFHGBQGTUGPBZ-UHFFFAOYSA-N 437.635 2.787 0 40 IFAB COC(=O)c1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12751853 ICNOALLQDSMJIT-UHFFFAOYSA-N 425.510 2.899 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C 12806982 UPJKHWFYPUEWOT-NPMABZOXSA-N 439.468 2.687 0 40 IFAB COc1cc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(OC)cc1Cl 12891020 YQAMLXDUQMUHRX-NRFANRHFSA-N 429.860 2.905 0 40 IFAB COc1ccccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3C1=O 12896687 IKGLSQKPYQOTPN-JTKRFKOTSA-N 443.503 2.822 0 40 IFAB CCOc1ccc(NC(=O)CSc2nnc(SCC(N)=O)s2)cc1OCC 12940025 HVLUGQQWSHNCEO-UHFFFAOYSA-N 428.561 2.644 0 40 IFAB COc1ccc(NC(=O)[C@H](OC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2)cc1 14172345 IUCGITZAASMIPQ-HXUWFJFHSA-N 446.525 2.590 0 40 IFAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1 15783793 IPIGTJCMQZFPPH-UHFFFAOYSA-N 426.473 2.654 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1 17111949 VQCFDVDQMUCOOJ-UHFFFAOYSA-N 430.505 2.566 0 40 IFAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(C)cc1 18699474 DMAACUPNSKYXBP-HXUWFJFHSA-N 432.542 2.906 0 40 IFAB Cc1nc(C)n(CC(=O)N2CCC[C@@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)n1 19285713 OGHWHAWGRXHILO-QHCPKHFHSA-N 437.569 2.960 0 40 IFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 19343817 SCRCBDIHIKQTNF-OAHLLOKOSA-N 427.454 2.762 0 40 IFAB CCN(Cc1ccc(CN2CCN(CC3(c4ccccc4)CC3)CC2)o1)S(C)(=O)=O 19526602 JBIODWMBZOHZBY-UHFFFAOYSA-N 431.602 2.911 0 40 IFAB COc1ccc(OCc2sc([C@]3(O)CCCN(CC(=O)N(C)C)CC3)nc2C)cc1 19705205 PDHDBBHRPHTOFM-QFIPXVFZSA-N 433.574 2.801 0 40 IFAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 22930045 IAHYMBCICRECRE-NRFANRHFSA-N 449.624 2.805 0 40 IFAB Cc1nc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)cc(-n2cccn2)n1 23144518 AZRBDUABLRYZNH-UHFFFAOYSA-N 434.525 2.613 0 40 IFAB Cc1cccc2c(=O)n(CCCC(=O)O[C@@H](C)C(=O)NCc3ccc(F)cc3)cnc12 26951802 NUYBBOWEKSFWON-INIZCTEOSA-N 425.460 2.872 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3SCC(N)=O)cc2)CC1 32741086 IWWRNLPXGDAFGZ-UHFFFAOYSA-N 447.582 2.937 0 40 IFAB CC(C)c1c(C(=O)OCC(=O)NC(=O)NCCc2cccs2)cnn1-c1ccccn1 40072815 OUBNRJIVADTTKG-UHFFFAOYSA-N 441.513 2.678 0 40 IFAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O 49581393 AFJKQBSTILPNIU-KRWDZBQOSA-N 441.915 2.686 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)Nc1ccccc1 57428178 UBDLZRWRHYHPOB-UHFFFAOYSA-N 435.461 2.640 0 40 IFAB CCN(CC)CCN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 59118167 JTRGCSOUBGRZIE-UHFFFAOYSA-N 442.626 2.519 0 40 IFAB COc1cc(C(=O)NS(=O)(=O)c2cncc(Br)c2)ccc1OC(C)C 69521450 SNQICXPVQKTYLR-UHFFFAOYSA-N 429.292 2.759 0 40 IFAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)no1 71892593 BAJCMEQZOVKVPX-JOCHJYFZSA-N 444.495 2.997 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3CCN(C(=O)c4ccccc4Cl)CC3)CC2)c1 95469851 FCHGWHLNUOSBCA-UHFFFAOYSA-N 440.975 2.755 0 40 IFAB COCCN(C)C(=O)c1ncn2c(C3CCN(C(=O)c4ccsc4)CC3)ccnc12 96267244 GUVONGTYWAOCHZ-UHFFFAOYSA-N 427.530 2.529 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 101166095 ALMQMZBYXATNAO-SJORKVTESA-N 447.373 2.646 0 40 IFAB COc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(C)C)cc1 136572204 FNMKEBJWHKYPMV-JKSBSHDWSA-N 438.528 2.649 0 40 IFAB Cc1cccc(N([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1 220126984 SNNOHUUTGBFTNI-QGZVFWFLSA-N 442.541 2.586 0 40 IFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C)c(C(=O)OC)c3)n2)cc1 223614326 JQCGUWXFIKEYLI-UHFFFAOYSA-N 431.470 2.709 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1cccc(C)c1)S(C)(=O)=O 223670878 QHZCXWWXFNBENZ-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)s1 224974328 LOWAFXUSKAGUJN-UHFFFAOYSA-N 442.573 2.863 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1C 224992836 UKRMMSYXFWQZKX-SFHVURJKSA-N 431.558 2.933 0 40 IFAB O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)Nc1ccccc1 245187592 ZPRPZTQRPZFVRF-UHFFFAOYSA-N 442.519 2.692 0 40 IFAB O=C(O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 253496008 YWBBQAWHZQMDHT-WXNWJBHASA-N 441.909 2.908 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccc(OC)cc2)cc1Cl 408611371 WUARZUMDKKJZEC-CQSZACIVSA-N 440.949 2.773 0 40 IFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)s1 408681971 FRXBOUAUPYMLLR-UHFFFAOYSA-N 448.501 2.560 0 40 IFAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCCO 409020539 QGYXWRWCZPSJRV-UHFFFAOYSA-N 445.368 2.725 0 40 IFAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 409194170 NQWCNFHOLIHVSO-OUKQBFOZSA-N 425.466 2.509 0 40 IFAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1sccc1S(=O)(=O)N1CCCC1 561620145 AOHXFYQCOZZGCS-CQSZACIVSA-N 449.602 2.999 0 40 IFAB O=S1(=O)C[C@@H](O)[C@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 575422307 UUFDUFHSMBIELB-WOJBJXKFSA-N 443.396 2.743 0 40 IFAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1c[nH]c(Cl)c1)C2 585107207 RQRKPODWMZCZFB-QFIPXVFZSA-N 438.919 2.503 0 40 IFAB Cc1cc(NC(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)ccc1Cl 1772595438 WYLPHBJATZGDME-HXUWFJFHSA-N 445.995 2.841 0 40 IFAB O=C(Oc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 851599 DPDPYRKYJREWLC-UHFFFAOYSA-N 426.288 2.689 0 40 IFAB CC[C@@H]1CCCCN1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 2433408 SVULNGAEWAIQRI-OAHLLOKOSA-N 433.530 2.968 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1nc2ccccc2s1 4195438 QJHCRQKVOCZVDC-UHFFFAOYSA-N 446.550 2.993 0 40 IFAB O=C(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9466722 WICLMHHINZYOQV-UHFFFAOYSA-N 438.509 2.928 0 40 IFAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(N)=O)C1 9639442 OKPVUUGRNPAWAN-UHFFFAOYSA-N 428.333 2.828 0 40 IFAB Cc1cc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 9672697 DKWCSEGHEGZSTA-SJORKVTESA-N 434.583 2.830 0 40 IFAB CN1[C@@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@H](c2ccc(F)cc2)NS1(=O)=O 12159519 LNTUDWMNISYOAN-LWRZALCUSA-N 435.565 2.738 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)[C@H]1CC=CCC1 12527494 HZCVPYIQEHQNGX-ROUUACIJSA-N 449.573 2.593 0 40 IFAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCN1C(=O)c2ccccc2C1=O 13004888 BJEITZOGNLALLM-GOSISDBHSA-N 426.494 2.643 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2 13148299 VESFLNJPFDGEBI-ZDUSSCGKSA-N 436.555 2.980 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cc2c(s1)CCCCC2 16492698 NOJARWPKYTWWOY-UHFFFAOYSA-N 436.555 2.996 0 40 IFAB Cc1cc(C(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c(C)n1C1CC1 16695211 FHZVWOGBGKWFCT-IBGZPJMESA-N 428.510 2.941 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3ccc(C)cc3)CC1)C2=O 19700725 ADJSOTLEHYJQFF-UHFFFAOYSA-N 440.588 2.573 0 40 IFAB COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 19897805 BBYJMJUPIVNOLJ-OAQYLSRUSA-N 438.455 2.818 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20451301 ZBPSLZNBNOUXMM-QGZVFWFLSA-N 438.889 2.601 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ncn3n2)cc1 21027931 JITWTWKMWPTLHL-UHFFFAOYSA-N 437.887 2.927 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23010634 PZDYJYMGSUBMAD-UHFFFAOYSA-N 437.418 2.994 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1CC 23259626 AYRZSPSDYXEGOS-AEFFLSMTSA-N 429.517 2.893 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1F 32551599 UQHBGSAPIMCSNT-UHFFFAOYSA-N 434.411 2.947 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(Cl)nc3ccccn23)NC(=O)N[C@H]1c1ccco1 32936184 DAGGBMSUFPMMKL-HNNXBMFYSA-N 444.831 2.609 0 40 IFAB CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 33028558 UZFMDFDVIQQEKM-UHFFFAOYSA-N 441.475 2.966 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 33326515 FJUOSANGWWBRNN-OAHLLOKOSA-N 426.541 2.846 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)CC1 36801120 ZPWDHNWFPIVSKR-LBPRGKRZSA-N 425.411 2.722 0 40 IFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc(OC)c(OC)c3)cc(C(C)C)nc21 40069541 NUZPJOGRJPAXOJ-UHFFFAOYSA-N 440.500 2.565 0 40 IFAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1 40399847 APAWQQYTAACHEL-KRWDZBQOSA-N 447.451 2.789 0 40 IFAB CN(C)C(=O)COc1ccccc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 48310177 DLKIYMJUAQFAHF-UHFFFAOYSA-N 448.317 2.675 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318392 USRGQTMHQFPJDN-QFIPXVFZSA-N 438.503 2.737 0 40 IFAB CCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCOCC2)c1 57327726 KGHAFMDESVPDGR-UHFFFAOYSA-N 443.525 2.835 0 40 IFAB CS(=O)(=O)[C@H]1CSCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21 78878719 JPQSSBDYZVIIIZ-NRFANRHFSA-N 445.566 2.561 0 40 IFAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1COc2ccccc2O1 89326615 WPWPZBXNOGFRDU-NRFANRHFSA-N 445.541 2.706 0 40 IFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 100563787 NEDALZTUYWOKAR-FUHWJXTLSA-N 427.844 2.646 0 40 IFAB Cc1nn(C[C@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c(C)c1Br 102004242 MWXPKEYOSCSCGP-VIFPVBQESA-N 436.335 2.667 0 40 IFAB COc1ccc(CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1OC 219174021 LZVGDPXMIIAJHP-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 223097730 FZCLQAKDDFSBFZ-UHFFFAOYSA-N 436.537 2.958 0 40 IFAB COc1ccccc1N(CCCC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O 223565876 KSZAVLNDHSYXJK-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)ccc1OC 223850969 JGDKKPTZVVPKNJ-UHFFFAOYSA-N 436.530 2.719 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)N(c3cccc(OC)c3)S(C)(=O)=O)ccc21 225114882 KSSHOFZHVYUZBQ-CYBMUJFWSA-N 449.554 2.885 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O 238862345 KYOVHHVQZVADOF-INIZCTEOSA-N 437.924 2.577 0 40 IFAB COc1cccc([C@]2(O)CCC[C@@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@H]32)c1 248064842 VTFDMEDNNCDSHC-WIBUTAKZSA-N 439.965 2.699 0 40 IFAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)C1 248332052 IDBTUGPLJHENMR-XNWMQKSCSA-N 439.556 2.945 0 40 IFAB Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2c(C)n[nH]c2C)n1 257263063 LOFMTMQQMBOREU-GOSISDBHSA-N 446.577 2.667 0 40 IFAB CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CCN4CCOCC4)C3)n2)s1 257342903 ZQOBWSMPQFUMCL-MRXNPFEDSA-N 430.578 2.667 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 408549052 WDSBOFZQBGBMBI-CQSZACIVSA-N 440.949 2.871 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408661358 MMHNPRMOTSYGNP-BNBDDXAPSA-N 439.295 2.896 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(OC)c1 408666281 HBLKZQSIURDHMZ-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB Cc1c(CCC(=O)N2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)c(=O)oc2c(C)c(O)ccc12 524729108 CXFUZNOBMAUAAY-HLIPFELVSA-N 438.524 2.907 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCOc2cc(O)ccc2C1 561263213 RCVABIBOQIMTDP-CQSZACIVSA-N 431.286 2.929 0 40 IFAB O=S1(=O)C[C@@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)[C@@H](O)C1 575422304 UUFDUFHSMBIELB-UXHICEINSA-N 443.396 2.743 0 40 IFAB CCCC(CCC)N1CCN(C(=O)COC)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585283561 RXZJBXIHVVJJAC-JOCHJYFZSA-N 428.520 2.834 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(OCc3cn4ccccc4n3)c1)CC2 605371412 GQNZIVMSPPUFIG-UHFFFAOYSA-N 448.504 2.764 0 40 IFAB Cc1cccc(Cc2ccccc2C(=O)OCCOCC(=O)OCCOCC(=O)O)c1C 725416254 PZAPMQLKPMNKCF-UHFFFAOYSA-N 444.480 2.712 0 40 IFAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)C[C@H]2C1 1228281432 NKXWCSOHOLAICM-IECFSIQFSA-N 443.610 2.677 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1 1888987378 RGLMRUQMNKUNQY-UHFFFAOYSA-N 445.516 2.954 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC 1085334 PEBHRDUDLKKOOT-LUDQZLGDSA-N 434.517 2.807 0 40 IFAB CC(C)CCN(C(=O)Cc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3437189 IUUNRFGUCIVULF-UHFFFAOYSA-N 438.503 2.928 0 40 IFAB COc1cc(Cl)c(C)cc1-n1c(SCC(=O)NC(N)=O)nc2ccccc2c1=O 3489943 KSDOPGSSVQXFKM-UHFFFAOYSA-N 432.889 2.643 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 4295608 LWEBIUKLNWRIHH-QFBILLFUSA-N 436.505 2.845 0 40 IFAB C[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O 4574698 NLTGCWQJVYQJHP-OXJNMPFZSA-N 441.528 2.691 0 40 IFAB CN(Cc1ccccc1)Cc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8297609 HRNAZPCXZKSTOP-FJIJXJHWSA-N 448.571 2.530 0 40 IFAB biogenic,in-vitro O=S(=O)(c1ccc(Sc2nnc(-c3ccc4c(c3)OCO4)o2)nc1)N1CCCC1 8710749 HTRFVBMFQRBNKN-UHFFFAOYSA-N 432.483 2.796 0 40 IFAB COC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 8763017 FDALIFRVHFZOBT-HNNXBMFYSA-N 440.525 2.965 0 40 IFAB O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1)c1cccs1 8770684 JKLXJDNNTWMHRF-JZJYNLBNSA-N 434.930 2.862 0 40 IFAB C[C@]1(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)NC(=O)NC1=O 8778399 VEAOUOMSCGHJAS-OAQYLSRUSA-N 427.482 2.790 0 40 IFAB Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 8926312 HZFCRFFHGBPIHO-UHFFFAOYSA-N 446.294 2.763 0 40 IFAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)Cc3ccc(Cl)cc3)c2=O)cc1 9016327 QBBHWPNOHUWRIJ-UHFFFAOYSA-N 435.915 2.962 0 40 IFAB CCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1cccnc1 9584930 XQSNGQQGXRDEEY-UHFFFAOYSA-N 425.514 2.679 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1 9662952 USOZBSJBBOMPLC-UHFFFAOYSA-N 429.527 2.523 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)CC1 10112911 ZYPLCQTWMAUWGQ-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ncn3n2)cc1 11666432 PJMARLFABJPOFX-UHFFFAOYSA-N 425.395 2.874 0 40 IFAB CSCC[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O 12296921 KAASLVRNIIZCIU-HNNXBMFYSA-N 443.477 2.867 0 40 IFAB biogenic C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 12691006 PDTAWQBXYFTWBQ-UHFFFAOYSA-N 443.525 2.791 0 40 IFAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 12757513 BFCNVRSHUGOFFT-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB COCCCN(C(=O)c1oc2ccc(F)cc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12772913 HKMUZHGOUGKYCO-UHFFFAOYSA-N 446.479 2.652 0 40 IFAB C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O 12774216 RXHQPZPXTWONPI-QMTHXVAHSA-N 445.526 2.607 0 40 IFAB CCCCN(C(=O)CN[C@@H](C)c1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039942 SEOPAXHXXMAGCR-HNNXBMFYSA-N 449.983 2.912 0 40 IFAB Cn1c(=S)n(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 13073632 HRSLJOOLFXJMQU-UHFFFAOYSA-N 438.525 2.951 0 40 IFAB COc1ccc(OC)c(NC(=O)C[C@]2(NC(C)=O)C(=O)N(C(C)C)c3ccccc32)c1 13629477 ZANDFECUXZIWHO-HSZRJFAPSA-N 425.485 2.819 0 40 IFAB Cc1c(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 13629706 WXFMLDOUGLVIQQ-CQSZACIVSA-N 443.521 2.962 0 40 IFAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 14094962 SARBOYCIFWPYGZ-GOSISDBHSA-N 446.598 2.798 0 40 IFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 14247999 YNVWNLSUUYXWMV-UHFFFAOYSA-N 428.432 2.601 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3CCN(C(=O)c4ccco4)CC3)ccc21 16548367 NBWFBZBILJPDJG-OAHLLOKOSA-N 438.480 2.855 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)CC1 16682740 IVYHTJJUNOVSEE-UHFFFAOYSA-N 436.574 2.812 0 40 IFAB COC(=O)c1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1 19291268 SBGQFCVIILFCJM-QFIPXVFZSA-N 438.503 2.750 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 19292924 RIZIFIBRPMCKBR-MRXNPFEDSA-N 428.483 2.722 0 40 IFAB NC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCc2ccccc2C3=O)CC1 19372622 NOWGDDHCSSNEKA-WNCULLNHSA-N 445.563 2.658 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)c2ccc(COC)cc2)nc2c1CN(C(C)=O)CC2 19710361 GSRHGZQMPQLKJV-NRFANRHFSA-N 437.544 2.937 0 40 IFAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)N(C(=O)c3cccnc3)CCC4)ccc2N1 19819237 ZASYYQORLOQURR-UHFFFAOYSA-N 448.504 2.970 0 40 IFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@H]1C 21867255 OKIUCZRJNZZCSA-CABCVRRESA-N 425.514 2.604 0 40 IFAB COc1ccc(-c2nnc(COC(=O)CNC(=O)c3ccc(Br)cc3)o2)cc1 28079986 DZVSMRAZGVOIRH-UHFFFAOYSA-N 446.257 2.981 0 40 IFAB CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H](c2ccccc2)C1 30029022 RPQHQFJRDLXFRO-JOCHJYFZSA-N 427.570 2.990 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 30755089 JRMJXFIRNZTEIY-UHFFFAOYSA-N 430.555 2.651 0 40 IFAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)o2)c1 32889896 MLCDPMUJDBTYGU-GOSISDBHSA-N 433.578 2.844 0 40 IFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccccc1OCc1ccccn1)CC(=O)N2 36358059 ZEBSIYDBAYSDAF-QGZVFWFLSA-N 428.452 2.712 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 40087670 PKUWXNBKAWJDBF-MRXNPFEDSA-N 426.579 2.969 0 40 IFAB CNC(=O)C1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCCC1 40155252 HWSANKPWBLPKQF-UHFFFAOYSA-N 433.505 2.805 0 40 IFAB COc1ccccc1CN(C)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 44843837 DNGCWEXAHVPWSA-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB CCCn1c(=O)n(CC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c2ccccc21 48277281 DWHXCLMYVZTJPT-UHFFFAOYSA-N 438.503 2.773 0 40 IFAB CCOc1ccc(C[C@H](CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C(N)=O)cc1 58162150 FIEUNYOHAMEORQ-QGZVFWFLSA-N 449.515 2.539 0 40 IFAB Cc1cnc(CNC(=O)c2nc(-c3cn(Cc4ccncc4)c(C)n3)n3ccccc23)cn1 96155214 LZULRLWFLJGKGR-UHFFFAOYSA-N 438.495 2.978 0 40 IFAB COc1ccc(-c2noc(CN3CCN(Cc4nc(O)c5sccc5n4)CC3)n2)cc1 97527641 HGNFAJQDPCSHSV-UHFFFAOYSA-N 438.513 2.773 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1=O 103054654 RVKCMPYSZJYMFU-MGYGNFHQSA-N 428.529 2.921 0 40 IFAB COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220457372 RKKGNTQBGROHLU-AWEZNQCLSA-N 426.485 2.877 0 40 IFAB CN(CC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccccc1 223365488 OQWIFLCHWUHNTQ-UHFFFAOYSA-N 442.541 2.971 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 223673041 SUDPDOZJIZRXTB-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1C 223743895 QNLSMDIJICNCHW-UHFFFAOYSA-N 434.514 2.676 0 40 IFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(OC)c1 224296348 INZCUSZPCLGUMO-SFHVURJKSA-N 436.530 2.600 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225223485 DTABJTUSVQZNNC-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)c2O1 225727427 BIHLMSZHMORZDH-UHFFFAOYSA-N 436.434 2.937 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@H]3[C@@H]4C(=O)N(C(C)C)C[C@@]45C=C[C@H]3O5)CC2)nc1C 248167229 PCNUZSSDYQQJGY-NWFVXXGESA-N 443.569 2.551 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 408600662 BUVZLPAOHUFHCQ-KRWDZBQOSA-N 434.558 2.756 0 40 IFAB O=C(OCN1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408638326 BVRIKQVRZHOOEU-GFCCVEGCSA-N 443.253 2.599 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408662734 XPJUVPKBAPWXPD-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB O=C(CN1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1)Nc1ccccc1C(=O)O 585260833 JNUNOENLMVPBKQ-MHECFPHRSA-N 439.487 2.991 0 40 IFAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)cc1 585270726 PKIVHYKPCNPLJT-OAQYLSRUSA-N 442.556 2.958 0 40 IFAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)Cc3coc4cc(C)ccc34)cc2NC1=O 585281499 KJDHGROWSZPOHC-KRWDZBQOSA-N 428.466 2.898 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3n[nH]c(Cc4ccccc4)n3)C2=O)cc1 618254864 IGYCUKKJIXWUOJ-QGZVFWFLSA-N 436.493 2.996 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)s1 1772595256 GWNDVYKOZMHCDW-HXUWFJFHSA-N 438.597 2.647 0 40 IFAB CCOc1ccc(-c2ccc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)nn2)cc1 1888926766 QRZFIYUGLDOEGS-UHFFFAOYSA-N 430.516 2.854 0 40 IFAB COc1cnc(OC2CCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)nc1 1889264633 PSCIACAWZHOCNZ-UHFFFAOYSA-N 430.486 2.681 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(C)C 2169356 FJLQNIFSIIAISA-LDADJPATSA-N 434.514 2.768 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2619718 PRDHHTFXDFITPU-FQEVSTJZSA-N 428.286 2.805 0 40 IFAB CN(CC(=O)OCC(=O)c1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1 3332238 PQVOGVDFNVFOFZ-UHFFFAOYSA-N 447.843 2.988 0 40 IFAB C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 3456550 JWNPOKLTBRBDBL-MAUKXSAKSA-N 426.494 2.930 0 40 IFAB COCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ccccc2c1=O 3493582 NEHXKRSJZCTQEM-UHFFFAOYSA-N 429.498 2.791 0 40 IFAB COc1ccc(C)cc1NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1N 3542098 SUVWJCSBYUCYIU-QGZVFWFLSA-N 427.486 2.552 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1 4399677 GCHOEGFEDCLDHD-IBGZPJMESA-N 442.516 2.647 0 40 IFAB C[C@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 6531079 YGWLDMTVPHQFIX-ZDUSSCGKSA-N 433.915 2.506 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 8893193 XCVSLGHYRQGYBN-GOSISDBHSA-N 429.542 2.827 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc2c(c1)OCCO2 9223779 JOSCMGOAXZVFLS-UHFFFAOYSA-N 446.525 2.822 0 40 IFAB CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(Cl)c1 9253280 PYULQVLFRZQPJD-INIZCTEOSA-N 437.974 2.817 0 40 IFAB COc1cc(C(=O)NCC(=O)Nc2nc(-c3ccccn3)cs2)cc(OC)c1OC 9657902 FGZWFMLDMQTNRK-UHFFFAOYSA-N 428.470 2.599 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 9708715 SBOJBRCXBZPAKR-LJQANCHMSA-N 433.464 2.910 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)c(C)c1 10447397 FSXJGVGXOPIAGK-UHFFFAOYSA-N 448.497 2.695 0 40 IFAB Cc1cc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)ccc1F 11694545 HGJYKRYCLDIWMZ-UHFFFAOYSA-N 427.461 2.596 0 40 IFAB COCCNC(=O)C(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 11797284 NXOCBTJUKMWLQX-UHFFFAOYSA-N 441.513 2.683 0 40 IFAB O=C1N[C@]2(COC3(CCN(C(=O)C4=Cc5ccccc5OC4)CC3)C2)Nc2ccccc21 12085462 IJRKKKRGTUYURR-RUZDIDTESA-N 431.492 2.796 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 12086687 JLWFUXSIFTWIKN-QZTZHPFYSA-N 427.545 2.692 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 12229925 SOALVZMSSCVOQC-KRWDZBQOSA-N 439.493 2.568 0 40 IFAB O=C(Cn1cccnc1=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 12257252 PBXPFNIEXIAGIL-UHFFFAOYSA-N 438.491 2.956 0 40 IFAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)no1 12507827 OVLMQNVTTVWSDY-CQSZACIVSA-N 429.454 2.968 0 40 IFAB O=S1(=O)CC[C@@H](N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)C1 12697945 YWUHZYADRBGVSP-MRXNPFEDSA-N 432.546 2.807 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCSc2ccccc21 12991633 ONQOWZNCAPNZRE-IBGZPJMESA-N 432.567 2.983 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(Cl)cc3)CC2)cc1 12993387 AULKLWSDUNSSST-UHFFFAOYSA-N 437.949 2.743 0 40 IFAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 13038218 SIPTYDACBDOCPP-UHFFFAOYSA-N 442.493 2.674 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13056459 UKJJASCVMDWAIL-MAUKXSAKSA-N 447.523 2.707 0 40 IFAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1 13504263 IECHAFIOSRUBDR-HSZRJFAPSA-N 436.560 2.857 0 40 IFAB O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 15692932 DABUYQAMPJNSNS-UHFFFAOYSA-N 442.946 2.710 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(I)c3)ccc21 16048522 VEMUBKHIFRZMCX-UHFFFAOYSA-N 442.278 2.866 0 40 IFAB C[C@H](O)CN(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(C)C[C@@H](C)O)cc2)cc1 16576380 GFZJTJBFMKYCJZ-CALCHBBNSA-N 428.533 2.966 0 40 IFAB Cc1ccn2cc(C(=O)N3CCO[C@]4(CC=CCN(CCc5ccccc5)C4=O)C3)nc2c1 19704464 UWXQZLZSPZNUNS-AREMUKBSSA-N 444.535 2.885 0 40 IFAB CNC(=O)c1cc([C@@H]2CN(C(=O)C3CN(Cc4ccccc4)C3)CCO2)nc2ccccc12 19762499 SIKDXTPULAEUOP-DEOSSOPVSA-N 444.535 2.626 0 40 IFAB O=c1oc2cc(OC[C@@H](O)CN3CCN(Cc4ccccc4)CC3)ccc2c2c1CCC2 19912355 XARXGOHNADHJFA-FQEVSTJZSA-N 434.536 2.839 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1 20109268 HTTVJIQAYGXFBX-UHFFFAOYSA-N 434.540 2.881 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(C)cc1 20674568 XJAYZGRVDFWZJU-RTWAWAEBSA-N 438.503 2.663 0 40 IFAB O=C(N[C@@H](C(=O)O)c1ccccc1)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 25107266 NTLOSRFHIIJIAF-PCHILHPBSA-N 449.551 2.566 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 32755631 GQSMCHZUJDDBHP-UHFFFAOYSA-N 433.917 2.977 0 40 IFAB O=C(NCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(C(F)(F)F)cc1 32909886 VQMGWQSVHUWDIP-HNNXBMFYSA-N 437.418 2.697 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)c1 32960733 FEKKZVDYRQEYLX-UHFFFAOYSA-N 444.451 2.941 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1cccc(OC)c1 33581504 DRFNEKPZPRHYPF-DMVFFGLYSA-N 440.546 2.868 0 40 IFAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 35590506 GFSZOSHYKVOEGF-IYBDPMFKSA-N 447.499 2.525 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](C)CN3CCCCC3)CC2)cc1C 40157525 DJPXCWZIFMPQSB-GOSISDBHSA-N 435.634 2.942 0 40 IFAB O=C(NCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccsc1 42383335 JQXWSEKDBGNWLO-UHFFFAOYSA-N 447.504 2.503 0 40 IFAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(C(=O)NCc2ccccn2)c1 58356369 JQGJKHNCQXYOTM-UHFFFAOYSA-N 446.511 2.565 0 40 IFAB COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 59309115 PNXVQRLKDFTJHB-LJQANCHMSA-N 428.916 2.933 0 40 IFAB Cn1ccnc1COc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 59421033 WQNGRQCLJTYKSU-UHFFFAOYSA-N 440.569 2.647 0 40 IFAB Cc1ccc(N2CCN(C(=O)c3cn(-c4cc(-c5nc(C)no5)ccn4)cn3)CC2)cc1 71768231 FSGAYERVNVGDAK-UHFFFAOYSA-N 429.484 2.897 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N[C@H]1CCCOC1 72351318 JRRIMUXEKCRJGV-GHTZIAJQSA-N 439.560 2.647 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 77101225 JXRSUHMAHLHELM-UHFFFAOYSA-N 441.475 2.897 0 40 IFAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 90616696 VCBXLIAXBMUGKX-UHFFFAOYSA-N 427.320 2.873 0 40 IFAB COc1ccc([C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 95941996 GWDSRZKHERIWSU-HXUWFJFHSA-N 430.526 2.998 0 40 IFAB CS(=O)(=O)c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c(S(C)(=O)=O)c1 95946818 WBJUDZVXAJGPPD-UHFFFAOYSA-N 449.019 2.531 0 40 IFAB COc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124106 GUPGRCYCWDCWGT-CYBMUJFWSA-N 447.421 2.940 0 40 IFAB Cc1ccccc1NC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 96144749 UDZONUZOTILISU-LJQANCHMSA-N 425.533 2.886 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)CCc3nc4ccccc4oc3=O)nn2c(O)c1C 100138799 LORYHWMMCAROKR-GOSISDBHSA-N 433.468 2.849 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 138947289 CVNODTVHTJBQSV-UHFFFAOYSA-N 432.498 2.608 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222658779 APBHQOAJXVMINK-INIZCTEOSA-N 438.521 2.964 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223607057 JXHBQLMIQQLBGV-IBGZPJMESA-N 445.585 2.623 0 40 IFAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 224245953 ZTMIXFFTVUGMHO-UHFFFAOYSA-N 438.918 2.931 0 40 IFAB CCOc1ccccc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224698892 VEAUFYMROXNTND-UHFFFAOYSA-N 434.558 2.965 0 40 IFAB C[C@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2ccnc(N3CCOCC3)n2)C1 257287062 POIHGVMYUKNCST-LRXVAGHRSA-N 435.576 2.601 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1ccc(OC)cc1 408730285 GTXWUAIRWZKJIY-PHJXOXRPSA-N 434.517 2.916 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 408923976 MMWAQTAYPBUESP-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB COCCCNC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409004078 WKQZKHBUIUZJGE-HXUWFJFHSA-N 428.485 2.568 0 40 IFAB O=C1C[C@H](c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)N2NC=NC2=N1 409369993 IXMCOGTXUAPEOS-MRXNPFEDSA-N 442.273 2.643 0 40 IFAB CSCC[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1c(O)nc2ccccc2c1=O 524732388 XWKIEHVJDKOHKX-QRFQSNJMSA-N 431.558 2.550 0 40 IFAB CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)S1(=O)=O 575414124 NOZVEFOSHQZKJU-UHFFFAOYSA-N 443.554 2.944 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@]3(CCCN(Cc4ccnn4C)C3)C2)c1 2056223491 OESRDFIITCNTOG-QFIPXVFZSA-N 448.589 2.504 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1OC 6549986 OEOYJDNICKHIML-UHFFFAOYSA-N 436.530 2.937 0 40 IFAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCC(=O)Nc1ccc(F)cc1 9245183 FXHFBWDLGLUCAV-UHFFFAOYSA-N 436.472 2.802 0 40 IFAB Cc1ccccc1Cn1ccc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)n1 9290158 DRQDGOGPNGWKCB-UHFFFAOYSA-N 441.538 2.803 0 40 IFAB O=C(CCSc1ccc(Cl)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 9335290 CPYLVYXNVADGBW-UHFFFAOYSA-N 436.917 2.943 0 40 IFAB CCc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)Nc3nc(SCC(=O)OC)nn32)cc1 9427251 PBIAKSRECAGQCC-GOSISDBHSA-N 446.529 2.584 0 40 IFAB CC(C)CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9465282 ULZNSELRDPFZCU-SFHVURJKSA-N 448.614 2.909 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc(C(N)=O)c1C 9508622 YQJOJZWMQPZOPQ-UHFFFAOYSA-N 436.511 2.678 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1C 9517997 RHOMFDRMFMJQPH-HNNXBMFYSA-N 444.557 2.675 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9729803 RQVMGVWUYLKXSI-QUCCMNQESA-N 425.916 2.631 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O 9985688 KNDLITRGKXMGRH-VOIUYBSRSA-N 441.528 2.646 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 10334886 XMEYTQREOQXXMP-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 11494430 AOTYOBQPYBZHFS-UHFFFAOYSA-N 436.468 2.614 0 40 IFAB C[C@H](NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1)C(=O)N1CCCCC1 12219730 UVQZFBCQTQJVLU-INIZCTEOSA-N 428.558 2.778 0 40 IFAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 12274206 RBXHWXTXPSWMMA-QGZVFWFLSA-N 437.573 2.842 0 40 IFAB COc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(OC)c1 12555756 SKVUHPJNAMVNPL-QFIPXVFZSA-N 439.512 2.922 0 40 IFAB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1N1CCCC1 12562112 WAEUJSGLLOVXKJ-UHFFFAOYSA-N 442.585 2.540 0 40 IFAB COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)CCCCC1 12932353 NRSYNKDVFOHXBL-CYBMUJFWSA-N 438.908 2.702 0 40 IFAB Cc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2N2CCOCC2)cc1 14095937 YMEJFLBOXMIWKN-UHFFFAOYSA-N 430.559 2.908 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(c3nc4ccccc4o3)CC1)C2=O 14281020 ZHLWTZOXJHFMQB-UHFFFAOYSA-N 425.489 2.576 0 40 IFAB Cc1cccn2cc(COC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc12 14676831 BDZGUUNMPWONBQ-UHFFFAOYSA-N 431.489 2.926 0 40 IFAB COC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 15858460 ABRLJRKALXGTKD-LLVKDONJSA-N 436.873 2.691 0 40 IFAB COC(=O)c1ccc(CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 15883733 LYVLJLYEBPYTRV-UHFFFAOYSA-N 427.526 2.910 0 40 IFAB COC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)o1 16050664 NSJSYWMKMSLMQP-UHFFFAOYSA-N 429.450 2.902 0 40 IFAB COc1cc(CCNC(=O)CSc2nnnn2C2CCCC2)ccc1OC(F)F 16372632 JCKOJCXTDSKNDC-UHFFFAOYSA-N 427.477 2.849 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccc(C)cc3)CC2)cc1 18074896 LULNAWLYOPGKEA-UHFFFAOYSA-N 432.542 2.600 0 40 IFAB Cn1cc(CN2CCC[C@@H]2c2nc(=O)c3c([nH]2)CCN(C(=O)CC2CCCCC2)C3)cn1 19290693 DBBSGEXATRLORG-OAQYLSRUSA-N 438.576 2.696 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCC(=O)N2)C1 19449063 WXLWHLMPAUYEPH-NTKDMRAZSA-N 439.581 2.980 0 40 IFAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1OC 19567807 ZBCCSNWSSVOMFL-MRXNPFEDSA-N 429.517 2.668 0 40 IFAB CNc1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19592378 RWMPBYOBDQZTDK-RXVVDRJESA-N 426.540 2.828 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 19766111 LDFFAWSBSRXRPZ-IBGZPJMESA-N 444.539 2.880 0 40 IFAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCOCC1)CO[C@@](C)(CC)C3 20646758 JTFZVPKNHFHFAA-QFIPXVFZSA-N 447.557 2.985 0 40 IFAB O=C(c1ccc2c3c(cccc13)CC2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 21437202 HBJXMBYIYWKMKD-UHFFFAOYSA-N 430.533 2.966 0 40 IFAB O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 23075388 FYPMAJCBCYOIOT-OAHLLOKOSA-N 430.461 2.915 0 40 IFAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1OC 23221201 VAVAIEYYMRQRCS-LBPRGKRZSA-N 437.470 2.512 0 40 IFAB O=C(OCc1sc2ccccc2c1Cl)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 26887611 POARUADTDMCHOK-NSHDSACASA-N 440.930 2.763 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1F 26911292 GNZPBTOOALLZLW-XVNBXDOJSA-N 440.443 2.659 0 40 IFAB CC1CCN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC1 27530832 WHHLGWZDNPYZSA-UHFFFAOYSA-N 449.404 2.526 0 40 IFAB CCOC(=O)C(NC(=O)COc1ccc2ccccc2c1Br)C(=O)OCC 30180521 PZBZOZNPDIPOSY-UHFFFAOYSA-N 438.274 2.592 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 31192582 LZYHPIOSEGRGPJ-KRWDZBQOSA-N 429.517 2.724 0 40 IFAB C[C@@H](NC(=O)CSc1nnnn1CCc1cccs1)c1ccc2c(c1)OCCO2 32858479 JVEZSPXBEIICPY-CYBMUJFWSA-N 431.543 2.718 0 40 IFAB Cc1sc2ncn(CCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1C 32870708 AUEWNBMKJVMZHT-UHFFFAOYSA-N 428.470 2.584 0 40 IFAB CSCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)cs1 36594785 UFTWVSUMCJOKOW-GOEBONIOSA-N 432.571 2.681 0 40 IFAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 40089303 IWJDJQMESSMPDI-GUDVDZBRSA-N 446.569 2.676 0 40 IFAB COc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 57328817 FNPBMYTZQTXDQP-YBFXNURJSA-N 440.477 2.819 0 40 IFAB O=C(c1nnc2sc(-c3ccc(I)cc3)nn12)N1CCCC1 57354604 KSULLHOFIZPIDR-UHFFFAOYSA-N 425.255 2.693 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)c1OC 57526089 FOSREPKCMUQEQV-UHFFFAOYSA-N 439.512 2.543 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCOc5ccc(C)cc54)ncn3n2)cc1 67208871 UBJODFHLZTZOOQ-UHFFFAOYSA-N 429.480 2.854 0 40 IFAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351739 BXBYVONCSVQTCJ-XZOQPEGZSA-N 448.567 2.607 0 40 IFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C[S@@](=O)Cc2ccc(Br)cc2)C1 95435218 UOTIAQRGCTWGER-YHAMSUFESA-N 443.407 2.709 0 40 IFAB C[C@H](CNC(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1)c1ccccc1 96225755 IILNLLYSRZPFQV-OPAMFIHVSA-N 445.516 2.655 0 40 IFAB O=C(CN1CCN(CCO)CC1)N[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 96235385 NNBUVIDQCALOBO-LJQANCHMSA-N 431.989 2.815 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC3CCCC3)cc2)C1 102424105 NDCFWRZCYCLZJX-BRWVUGGUSA-N 436.574 2.957 0 40 IFAB NCC1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218238727 DTWOKSAOLIYTED-HOTGVXAUSA-N 429.767 2.946 0 40 IFAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc3c(c2)OCO3)S1(=O)=O 219195058 HOYKPWRQRUOHBZ-UHFFFAOYSA-N 446.481 2.972 0 40 IFAB CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220644401 RCHQXKDPBLPSKO-QFIPXVFZSA-N 445.585 2.584 0 40 IFAB COc1ccccc1N(CCCC(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 222586602 VLZJUFMKAVQVFE-UHFFFAOYSA-N 433.574 2.884 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224861609 NVQKTBJZFLDVQR-GOSISDBHSA-N 430.014 2.872 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225018428 YAUBXYXISOMMAZ-KRWDZBQOSA-N 447.532 2.702 0 40 IFAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N1CCc2cc(Br)ccc21 225879223 XBVHBRVUUPLXIW-UHFFFAOYSA-N 430.349 2.813 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)C2CCN(C(C)C)CC2)CC1 257253914 KAUNRUQJINXNKY-DGWZTRNLSA-N 443.632 2.943 0 40 IFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1)c1cncs1 257271598 MYZCSMBLBGUAPX-JTAQYXEDSA-N 429.586 2.571 0 40 IFAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1 257334710 YHBTXIRPYSPJKY-CQSZACIVSA-N 432.571 2.951 0 40 IFAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)CN4CCC(C)CC4)CCO3)n2)s1 257335965 YMPLWGLRCHNXHY-KRWDZBQOSA-N 430.578 2.871 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3OC)C2)cc1 260810603 IKIHWGYVHNILBM-SJORKVTESA-N 432.542 2.982 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260841094 JGUQBKMQXQLHAM-KGLIPLIRSA-N 442.484 2.712 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OC 408560505 PHZGRYVGZLLUML-MRXNPFEDSA-N 442.537 2.883 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 408923978 MMWAQTAYPBUESP-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB Cc1sc(-n2cnnn2)c(C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1C 524733838 ULBVXQBZUCGZKN-UHFFFAOYSA-N 432.531 2.523 0 40 IFAB CC1(C)C(=O)Nc2cc(C(=O)NCCCNC(=O)c3ccc4c(c3)NC(=O)C4(C)C)ccc21 552371040 MEXGTTPNFGOPLP-UHFFFAOYSA-N 448.523 2.696 0 40 IFAB Cc1cc(Br)ccc1CNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 601225042 BIYUMCFWBNGLHA-LJQANCHMSA-N 445.361 2.811 0 40 IFAB COc1cccc(CN(CC(=O)NC2CCCCC2)C(=O)Cn2nnc3ccccc32)c1 922405 LHZWPTUQZGMFHW-UHFFFAOYSA-N 435.528 2.918 0 40 IFAB CCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 1863040 ZWHCMCUJSHPCFE-UHFFFAOYSA-N 430.940 2.594 0 40 IFAB CCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007650 XDLZNUYWPLPUAH-UHFFFAOYSA-N 433.508 2.732 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3coc4cc(OC)ccc34)CC2)cc1 3554215 MNMFEOJKFNJEJC-UHFFFAOYSA-N 444.509 2.526 0 40 IFAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 9278156 YPZDYJSZKNRAHX-UHFFFAOYSA-N 430.346 2.515 0 40 IFAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)cc1 9306819 CWZXEKCVSLOCHL-XEVCZEQESA-N 449.617 2.597 0 40 IFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)Cc1cccc2ccccc12 9447253 AIFNZDMIXPKQOE-UHFFFAOYSA-N 428.492 2.784 0 40 IFAB O=C(OCC(=O)c1ccc(OC(F)F)cc1OC(F)F)c1ccc(-n2cnnn2)cc1 9466445 FDNSLBOZVROSEV-UHFFFAOYSA-N 440.309 2.905 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCNS(=O)(=O)c1cccs1 9516035 INSFCJGXGZWRSK-UHFFFAOYSA-N 432.571 2.878 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(F)c1 9761868 HCUQTEUPTGAYEJ-UHFFFAOYSA-N 425.416 2.874 0 40 IFAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c12 9798954 OULZAGWHUAXARV-UHFFFAOYSA-N 446.536 2.572 0 40 IFAB Nc1nccnc1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 10141789 YFUCXIBJCRZMSK-HNNXBMFYSA-N 425.832 2.840 0 40 IFAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 10271911 ATNMJVDMTDNNRH-UHFFFAOYSA-N 449.433 2.811 0 40 IFAB CCOc1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1 12129678 LOEFIFIRARMINI-UHFFFAOYSA-N 435.484 2.738 0 40 IFAB O=C(CCn1ccc2ccccc21)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 12609261 YIRNDYABUSSKQB-UHFFFAOYSA-N 431.489 2.830 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 12777028 FGUDJMCQKMYBKT-GOSISDBHSA-N 433.549 2.708 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)n1C 13114833 FWXLPYBPTZAUFA-INIZCTEOSA-N 446.554 2.696 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)CC1=O 13133826 LNGUHJDOQGOSFL-OAHLLOKOSA-N 448.483 2.611 0 40 IFAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(Cl)s1 14093117 VTWVACVALMGKQQ-UHFFFAOYSA-N 432.976 2.959 0 40 IFAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 14136212 JXPPGAKRPZQPQF-UHFFFAOYSA-N 448.394 2.998 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(C)=O)cc2OC)cc1 14136370 ZUKIWMVUAZCRJS-UHFFFAOYSA-N 434.514 2.946 0 40 IFAB O=C(CNc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15086685 XJXDVYLASHRDPB-UHFFFAOYSA-N 427.501 2.924 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 15513406 NOMSHGONLXPNPZ-CYBMUJFWSA-N 431.466 2.932 0 40 IFAB COc1ccc(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1OC 15552179 BNPWFYOSUZGVEL-UHFFFAOYSA-N 446.301 2.535 0 40 IFAB Cc1cc(Br)c(NC(=O)CSc2nc(N)cc(=O)[nH]2)c(Br)c1 15587209 IHKAJDWEGLFMGV-UHFFFAOYSA-N 448.140 2.916 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)COc2ccc(I)cc2)cc1 16046020 XHIDTYCKJMXTNE-UHFFFAOYSA-N 431.251 2.712 0 40 IFAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc(Br)c1O 16806436 FWMREIJGLVVDHQ-MRXNPFEDSA-N 446.253 2.807 0 40 IFAB Cc1sc2ncn(CC(=O)NCC(=O)Nc3ccccc3Br)c(=O)c2c1C 18353584 QAEWPXWDTDVKCE-UHFFFAOYSA-N 449.330 2.592 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)CCOC)C1)C[C@@H]2C(F)(F)F 19530926 MCONIJYANQLFPC-VHDGCEQUSA-N 432.443 2.623 0 40 IFAB CCOC(=O)C1=C(COC(=O)CSc2ccc(Br)cc2)NC(=O)N[C@H]1C 22870355 DIYZSSWNQSQBIM-JTQLQIEISA-N 443.319 2.603 0 40 IFAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)ccc21 22903305 FLOSQIMCFNRBOD-UHFFFAOYSA-N 439.497 2.917 0 40 IFAB O=C(CN1CCN(CC(=O)N2CCCCC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 23470092 YUVWKFWULNWNFX-UHFFFAOYSA-N 446.901 2.927 0 40 IFAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 24764554 BSIOONUQLUKWNI-UHFFFAOYSA-N 442.493 2.817 0 40 IFAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 24958382 TZIMGOWUJFXDHJ-ZDUSSCGKSA-N 427.482 2.742 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1)[C@@H]1CCCO1 26279097 IINRXKNIXMTECF-QHCPKHFHSA-N 435.524 2.697 0 40 IFAB COc1ccc2c(C(F)(F)F)cc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1 30831846 UCIIYWIVRUEAAB-JTQLQIEISA-N 434.461 2.658 0 40 IFAB CCOc1cccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 30848270 CRJGFYADCUEFBP-UHFFFAOYSA-N 426.922 2.830 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CCOc1ccc(F)cc1 32788796 DMZUCQKPYUWHBI-LJQANCHMSA-N 426.485 2.805 0 40 IFAB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1C[C@@H]1COc2ccccc2O1 35362419 VLEISURZIUAIQG-HXUWFJFHSA-N 447.539 2.740 0 40 IFAB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 36407962 AIEOCZJJBPNJSP-GOSISDBHSA-N 427.570 2.533 0 40 IFAB COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)c1 49406380 DKPOKKZYHFZBNC-UHFFFAOYSA-N 447.539 2.856 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCSc3ccccc3)c2)CC1 68789582 GUBLMNPRLXZFGB-UHFFFAOYSA-N 433.599 2.535 0 40 IFAB Cc1cccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2cnc(N(C)C)nc2)CC1 72340682 AJYSXBZEVVEAJQ-QHCPKHFHSA-N 436.535 2.789 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 102827589 JSQKXMAIWPYSOX-OALUTQOASA-N 433.512 2.951 0 40 IFAB COC(=O)c1c(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)nc2ccccc2c1C 104001076 JWUHDINBJVAKMJ-CALCHBBNSA-N 436.464 2.714 0 40 IFAB COC(=O)c1cn(C(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c2ccccc12 222582189 HEWRQBVJSXYAFR-UHFFFAOYSA-N 446.481 2.552 0 40 IFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)s1 223432151 RIDWYNABXKTPNE-UHFFFAOYSA-N 437.547 2.560 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1C 223696490 KHVFISWXWNMFCG-UHFFFAOYSA-N 446.510 2.995 0 40 IFAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225029450 SOAWBZUANDGYDV-UHFFFAOYSA-N 439.946 2.967 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)c1 225572270 JGZIDDURYOOWBZ-UHFFFAOYSA-N 426.498 2.760 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccon1 257274860 NMXLHMJGWFSQHF-LUKWVAJMSA-N 437.471 2.551 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 408601772 HEYITZILWRFXHR-INIZCTEOSA-N 434.514 2.512 0 40 IFAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 409224009 IDWQLHXBRXOKCM-UHFFFAOYSA-N 443.253 2.982 0 40 IFAB O=C1NCCN1CCOc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 585273614 QYEUXJQCAYGQSM-UHFFFAOYSA-N 443.519 2.636 0 40 IFAB O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1ccccc1S(=O)(=O)C(F)F 1670290430 ZIMMJIXCYHSEAZ-INIZCTEOSA-N 441.477 2.848 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N1CCC(COc2ncc(Br)cn2)CC1 1775970025 XRVWOSDSFFYNAH-UHFFFAOYSA-N 430.299 2.858 0 40 IFAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1I 3391557 UOKAREHAINSOLM-UHFFFAOYSA-N 439.205 2.873 0 40 IFAB COc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 8671365 XLVLZBXZWGNJBU-LJQANCHMSA-N 428.510 2.907 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2)c1 8687815 MXHBBUUVEHHHMT-UHFFFAOYSA-N 431.558 2.735 0 40 IFAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCCCC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2 8694635 BTTCODLPLQKRFY-YKSBVNFPSA-N 433.464 2.990 0 40 IFAB CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 8724956 RFACFKVXOKYZFL-UHFFFAOYSA-N 437.931 2.767 0 40 IFAB Cc1csc(CC(=O)N2CCN(C(=O)/C=C/c3cnn(Cc4ccccc4)c3)CC2)n1 8756476 CEGWSIQLEGGJAX-BQYQJAHWSA-N 435.553 2.623 0 40 IFAB COc1cc(OC)c(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 8816372 ZLOIXHXTOZAVGR-BOPFTXTBSA-N 425.441 2.552 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccco1 9391642 VUEIUPWPQQSBPY-CVEARBPZSA-N 439.493 2.502 0 40 IFAB biogenic CCCCc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 9646936 HMAYAPHRKWWPDL-UHFFFAOYSA-N 432.542 2.937 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 9746549 KGGVJTYEOILISI-QGZVFWFLSA-N 435.571 2.745 0 40 IFAB COc1ccccc1N1CCN(C(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)CC1 9862231 ZRTFFYUYKIXTOP-HNNXBMFYSA-N 449.602 2.579 0 40 IFAB CCOc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 10111373 AWNLOCYRGXAEPN-UHFFFAOYSA-N 433.574 2.657 0 40 IFAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(NS(=O)(=O)CC)c1 12747071 ISNMEMDXDUAFGG-UHFFFAOYSA-N 434.543 2.799 0 40 IFAB COc1ccc([C@@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCCCC2)cc1 12768538 BJYKZRMSYPHYEA-HXUWFJFHSA-N 432.546 2.691 0 40 IFAB COC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)sc(C)c1C 12858109 ONZMKGSFTVPZCL-UHFFFAOYSA-N 425.532 2.527 0 40 IFAB COc1ccc([C@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCOCC2)cc1 12904849 OUHRCZVBFBEDFZ-QHCPKHFHSA-N 437.540 2.621 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 13063507 MCKRESSPFTYDEG-UHFFFAOYSA-N 436.556 2.691 0 40 IFAB Cc1c(NC(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)c(=O)n(-c2ccccc2)n1C 13137425 ZALUCYSODGAXAT-NSHDSACASA-N 440.451 2.751 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1OC 13533008 HOXSZKVQHNRMMI-UHFFFAOYSA-N 441.465 2.522 0 40 IFAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 14019120 SVTHOBBHQNHIDH-DEOSSOPVSA-N 446.551 2.927 0 40 IFAB NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 16490416 BDBPQKNMILZUHJ-UHFFFAOYSA-N 425.466 2.604 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccco2)cc1 17043186 NNSHLTSHGAWYKZ-HXUWFJFHSA-N 444.484 2.675 0 40 IFAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)CCn4nccc4C)CCO3)c2)cc1 19212669 AFAMXMFQMFXSIG-SANMLTNESA-N 446.551 2.883 0 40 IFAB O=C1CCC[C@]2(CN(S(=O)(=O)CCOc3ccccc3)C[C@H]2c2cccc(F)c2)N1 19373561 LZHGWAPPRXHGBK-RBBKRZOGSA-N 432.517 2.673 0 40 IFAB CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 19625946 CQQQBRKVLLQKLB-UHFFFAOYSA-N 431.436 2.711 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)c(C)n1 19693437 ZCRSAFMQEOAXHG-KRWDZBQOSA-N 431.493 2.570 0 40 IFAB O=C(Nc1nccs1)c1cc([C@@H]2CN(C(=O)c3cnccn3)CCO2)nc2ccccc12 19762741 ITLXZBIBPSMFHV-IBGZPJMESA-N 446.492 2.947 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 22520065 OHQNLRSKBVZNME-UHFFFAOYSA-N 432.542 2.733 0 40 IFAB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 23107734 NXRFVVZYJKBKPV-QFIPXVFZSA-N 433.508 2.977 0 40 IFAB Cc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1N1CCOCC1)S(C)(=O)=O 23123308 SFONICRVXCJHIR-UHFFFAOYSA-N 437.949 2.890 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1)c1ccccc1 23141836 ZNLNZQOKGPDFEY-QGZVFWFLSA-N 447.630 2.997 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)c(F)c1 28721395 XBFOPEIFTZWHEO-QFIPXVFZSA-N 439.466 2.879 0 40 IFAB CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 28914339 HJCUSCRIRYMFCK-ZDUSSCGKSA-N 428.304 2.966 0 40 IFAB COc1c(C)cnc(CN2CCN([C@H](C(=O)O)c3c[nH]c4ccc(CO)cc34)CC2)c1C 31808535 ZUTKFESAYLGWIX-QFIPXVFZSA-N 438.528 2.624 0 40 IFAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cccnc1Oc1ccccc1 40121150 DPIPBZBHULRPOI-UHFFFAOYSA-N 433.516 2.998 0 40 IFAB NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2-n2cccc2)CC1 44920743 JQIWXLRCXJDTOB-UHFFFAOYSA-N 447.417 2.899 0 40 IFAB COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 56998167 ZGNYLZDVHVDOIU-UXHICEINSA-N 448.972 2.796 0 40 IFAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1=O 60346609 VNDDUBRBLRDWAA-NRFANRHFSA-N 446.960 2.513 0 40 IFAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 61720357 QUILDPUBDKSIRP-AWEZNQCLSA-N 440.406 2.772 0 40 IFAB CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN2CCCC[C@H]12 71842126 HWSQTBDIFYDHFB-SESVDKBCSA-N 426.586 2.829 0 40 IFAB Cc1cc(S(=O)(=O)N2CC(c3nc(-c4ccc[nH]c4=O)no3)C2)c(Cl)cc1Cl 77099651 ZALLKHTZUGKPFV-UHFFFAOYSA-N 441.296 2.828 0 40 IFAB Cc1c(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cnn1-c1ccccc1 77154607 JRLOZBYZYVLFND-UHFFFAOYSA-N 443.554 2.740 0 40 IFAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(OC)c4OC)C3)n2)c1 77191202 QSMRUMRUNXFQPH-UHFFFAOYSA-N 437.456 2.745 0 40 IFAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 78985042 BPIDWRKLBUXXAI-QFIPXVFZSA-N 440.519 2.700 0 40 IFAB C[S@](=O)C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 89493044 FLINFBUWIIFFHB-ODCWNRFASA-N 427.295 2.763 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@H]1c1ccc(F)cc1 95348805 YMNUHJAJMNGMCO-SFHVURJKSA-N 438.546 2.814 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)on2)c(NS(=O)(=O)C(F)F)c1 95448004 XEUWTUPUUNHUEY-UHFFFAOYSA-N 439.462 2.746 0 40 IFAB Cc1cccc(CN2CCN(C(=O)COC(=O)c3c(-c4ccncc4)noc3C)CC2)c1 95971243 WPRGIPFWRNSTKR-UHFFFAOYSA-N 434.496 2.855 0 40 IFAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F)c1cnn2cccnc12 96224091 MTNINGRYDIIAQC-LLVKDONJSA-N 431.374 2.861 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCN4C(=O)c4ccc(F)cc4)nn3c(O)c2C1 100234870 OPJQFCBXGAMIGE-HXUWFJFHSA-N 449.486 2.846 0 40 IFAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)CC1 100237715 UHRDAPYWOHFAAA-FUHIMQAGSA-N 442.560 2.736 0 40 IFAB CCCOc1ccc(CNc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)cc1 102911738 GTWBNPWDOJRNOG-UHFFFAOYSA-N 447.451 2.599 0 40 IFAB Cc1ccc(CN2C[C@@H]3[C@H](C2)c2nc(N4CCC[C@@H](C)C4)ncc2CS3(=O)=O)cc1 107260522 RMRVTUMGJRUGPY-JRGCBEDISA-N 426.586 2.918 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(NC[C@H]3CCCO3)c(C(=O)O)c2)cc1 217620304 NWOBLTONZDTRRR-QGZVFWFLSA-N 434.514 2.505 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 219699290 LGIZSXGBYNYCPI-UHFFFAOYSA-N 434.905 2.669 0 40 IFAB Cc1cccc(OCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 223642379 RJRNHMPBUNAENM-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224650231 LEKNSZFDSOBEAQ-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225387487 ROZCGHJNLALSOW-CYBMUJFWSA-N 440.547 2.722 0 40 IFAB Cc1nccn1CCCC(=O)N1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 257259077 KWTFSVFKAXJNNS-QFIPXVFZSA-N 433.512 2.733 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(OC)cc3)C2)cc1 408560836 QICWTVSXAAWHDN-LJQANCHMSA-N 446.569 2.854 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 408650936 CLBICHAOOAQNAG-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1ccc(N2CCOCC2)cc1 1371504 YBJDLUBZEZAERD-UHFFFAOYSA-N 433.559 2.844 0 40 IFAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)OCCN1C(=O)c2ccccc2C1=O 1772793 SNOVQYSYVDFLKV-UHFFFAOYSA-N 434.448 2.682 0 40 IFAB COc1cc(/C=C2\C(=O)N(C)C(=S)N2C)ccc1OS(=O)(=O)c1ccc(C)cc1 3419349 KQUAUCNJTJICCB-LFIBNONCSA-N 432.523 2.801 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN(C)C)cc2c1 4132147 WXGLMZQCQRDHGL-FQEVSTJZSA-N 430.618 2.952 0 40 IFAB CCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)c1 4710855 UVGKCDPZVFVOJW-UHFFFAOYSA-N 425.485 2.793 0 40 IFAB COCCCn1c(C)c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 6300117 GDWZAZMPNWTWRI-UHFFFAOYSA-N 447.898 2.644 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 7923754 KDEQXUGEXNBNOR-UHFFFAOYSA-N 427.570 2.997 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3nc(C)no3)c(=O)c3ccccc32)c(Cl)c1 8593665 DVCAYHWRRSCEMS-UHFFFAOYSA-N 439.859 2.503 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c2ccccc2O1 8723690 KMSMQGDXTUHNOG-RXVVDRJESA-N 425.485 2.846 0 40 IFAB C[C@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)C(N)=O 9195587 HDRVGIYUZOHUPP-ZDUSSCGKSA-N 447.413 2.813 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2ccc(F)cc2)cc1OC 9252628 QOPYEIQRHGVGIV-UXHICEINSA-N 438.459 2.767 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 9306495 MQXONOHBUYBROB-IBGZPJMESA-N 429.542 2.704 0 40 IFAB CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Br)o2)cc1OC 9440728 JXNZMYYYWOLWRK-UHFFFAOYSA-N 425.279 2.838 0 40 IFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 9651365 PVMDQNJJQUFGCS-UHFFFAOYSA-N 442.878 2.996 0 40 IFAB O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CC1 9818309 BCLITOGGCSSUQM-UHFFFAOYSA-N 428.905 2.939 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NCC(C)C)Oc2ccccc21 10009169 HXLNPGCOTCDZPJ-HXUWFJFHSA-N 445.541 2.628 0 40 IFAB CCc1cc(CC)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)n1 12232109 WJFRCYQNUGDHDM-UHFFFAOYSA-N 444.898 2.585 0 40 IFAB O=C1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12390217 PNSIDDPENYMVMV-LLVKDONJSA-N 435.406 2.844 0 40 IFAB CC[C@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 12516843 SJMLUKAFCKMRIZ-PKOBYXMFSA-N 442.025 2.585 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)cc1 12792321 MPGJVYZCSIYGMN-UHFFFAOYSA-N 443.500 2.838 0 40 IFAB Cc1c(C)c2ccc(OCC(=O)NCC(=O)NCCc3c[nH]c4ccccc34)cc2oc1=O 12900682 WHDYYCQZQOQFNS-UHFFFAOYSA-N 447.491 2.745 0 40 IFAB biogenic Cc1nc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)nc(-c3ccco3)c2s1 13010478 ALKCXXIZGSNWED-UHFFFAOYSA-N 435.509 2.770 0 40 IFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 13127861 QRTDNSFHBOSNPC-UHFFFAOYSA-N 438.513 2.837 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccccc1 13671777 LSOMGWFQKYXRDX-UHFFFAOYSA-N 445.585 2.801 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 13677467 JBQSIDUWAMUXHB-NSHDSACASA-N 426.878 2.871 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc(OC)c(Cl)cc2OC)Oc2ccccc21 13680078 VACTXGBXQYZODX-GOSISDBHSA-N 440.905 2.913 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1OCC 15517116 WXHUQLKDKDTWEB-UHFFFAOYSA-N 437.470 2.858 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1n[nH]c(=O)c2ccccc12 16044241 KMNVZAHVFQQUBG-UHFFFAOYSA-N 426.498 2.740 0 40 IFAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc2c(c1)OCO2 17320770 FUZJBFVBMOIGOD-UHFFFAOYSA-N 445.269 2.870 0 40 IFAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3CCOCC3)CC1)N2 19084157 XZMDAHHQFRVAPG-DLBZAZTESA-N 439.551 2.742 0 40 IFAB C[C@@H]1CN(CCC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C[C@@H](C)O1 19497502 DFWJGMBUQFVYQB-IAGOWNOFSA-N 440.573 2.684 0 40 IFAB COCCn1c(C(=O)N2CC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc2cc(Cl)ccc21 19758101 MQBAGABVCVCILT-AWEZNQCLSA-N 441.919 2.768 0 40 IFAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 20487361 KULZFIDRMOQXMW-HNNXBMFYSA-N 434.514 2.894 0 40 IFAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 20726258 FXGYQOQKBPJDHM-LJQANCHMSA-N 433.917 2.954 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 23845195 LQMIWFZQHDDDIP-UHFFFAOYSA-N 437.949 2.814 0 40 IFAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 24760786 XLHGEUTXDSFDFO-OAHLLOKOSA-N 444.498 2.835 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 26162053 AGKHMJSRVDKRHV-GJZGRUSLSA-N 428.510 2.532 0 40 IFAB Cc1nc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)sc1C 32071973 GHFCCFTXODGCEY-QGZVFWFLSA-N 426.542 2.990 0 40 IFAB Nc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2ccco2)nc(Nc2ccc(Cl)cc2)n1 32854388 OOXZOIMGFSMSIN-AWEZNQCLSA-N 442.863 2.792 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c2ccccc2O1 35266992 HCVXIOHTWVWZCA-QFBILLFUSA-N 436.493 2.772 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)=C2)c1 35339809 JPAGQUIAIQVZQO-CVAIRZPRSA-N 431.558 2.986 0 40 IFAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(Cc3cccs3)CC1)cn2CC(=O)O 36357238 HWPUWIRFKSMVAL-OAQYLSRUSA-N 443.525 2.740 0 40 IFAB CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 39985970 YREAWPIDOLORBV-JXMROGBWSA-N 441.597 2.863 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 44606409 OYPZRUFXBRMDHW-UHFFFAOYSA-N 435.340 2.699 0 40 IFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCCN(c3nccs3)CC1)C2=O 58008827 XUTRSMZZRUHTOA-UHFFFAOYSA-N 447.605 2.709 0 40 IFAB O=C(CS(=O)(=O)CCCc1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 58804336 LGONBCXCDVYNMV-UHFFFAOYSA-N 432.561 2.908 0 40 IFAB Cc1cccc(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 63459452 BIPHVHAAHRETSL-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB COC(=O)CCN(Cc1nc(-c2ccc(Br)s2)no1)CC(OC)OC 96007161 OFQOFDRQCQVHRT-UHFFFAOYSA-N 434.312 2.545 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 100234556 NRJPIIRLMDOQFH-KRWDZBQOSA-N 437.544 2.626 0 40 IFAB COc1ccc(-c2c(C)nn3c(=O)cc(CSc4nnc(N)s4)[nH]c23)cc1OC 100240116 UXQBYJVCBPWNTM-UHFFFAOYSA-N 430.515 2.741 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 107760020 SBGXZAOXZABRML-OAHLLOKOSA-N 440.949 2.911 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccccc2F)Oc2ccccc21 218789906 HTIRLUMDZGOEPU-IBGZPJMESA-N 438.546 2.792 0 40 IFAB COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1N1C(=O)CCC1=O 223649128 ANEZOIZDFZXBOR-UHFFFAOYSA-N 432.498 2.614 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 223679059 LJGIRIYJVDRNIB-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CC(C)c1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 223837395 BTVVPSAORYMVMH-UHFFFAOYSA-N 432.542 2.640 0 40 IFAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc(Cl)c1)S(C)(=O)=O 225262151 VYDKAPXVEBYNTH-SJORKVTESA-N 438.933 2.841 0 40 IFAB CC(C)CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 225565815 WDGFJMUYGYZLCF-UHFFFAOYSA-N 442.588 2.559 0 40 IFAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 245229789 FRNWPTRXNLTCSJ-KCESLBEFSA-N 426.469 2.840 0 40 IFAB CCOCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 257267126 MGBFTQLDEUNRHH-QFIPXVFZSA-N 438.952 2.613 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@](O)(c3ccoc3)c3ccco3)n(C)n2)c1 390827023 SIBPIOXXWLIWCU-HSZRJFAPSA-N 437.452 2.956 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1OC 408560744 PTXNLPQZSGHPFZ-LJQANCHMSA-N 444.553 2.689 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408612076 YEWRAGXNKUUEEO-FQEVSTJZSA-N 438.505 2.986 0 40 IFAB C[C@H](C(=O)NCCSC1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704459 NUKILNBSCHDHQE-OAHLLOKOSA-N 442.603 2.794 0 40 IFAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)O 408983440 BROOSYJNTPRZPQ-HXUWFJFHSA-N 425.441 2.815 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 504331361 ZWDYXNOEIUTSHH-KTIHBUSBSA-N 435.549 2.982 0 40 IFAB biogenic CC(C)(CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)S(C)(=O)=O 673996225 LDQMBDFHSDYLQK-UHFFFAOYSA-N 441.903 2.910 0 40 IFAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CN(C)C1=O 1888898044 XNFDGLOABYFXQL-YCJFDJCISA-N 448.463 2.517 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1 1889073522 MKHICOVPPZOYQH-UHFFFAOYSA-N 434.525 2.994 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)cc1 932192 BSRYAFKUOZTBIQ-UHFFFAOYSA-N 443.485 2.587 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCCc2ccccc21 3235070 RXYLSMLEEICBEB-JOCHJYFZSA-N 428.554 2.834 0 40 IFAB CCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6481462 ICAOKUWXBDJLNO-CYBMUJFWSA-N 435.550 2.533 0 40 IFAB CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6500973 IRFXJPPTPQVIQI-AWEZNQCLSA-N 447.561 2.563 0 40 IFAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O 8878373 YYOKINWHIOKPNX-RDJZCZTQSA-N 429.542 2.517 0 40 IFAB Cn1c(SCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1-c1ccco1 9377212 OGRAYHDKXUMZII-UHFFFAOYSA-N 432.527 2.835 0 40 IFAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9413278 DSOBRNIRHWZIEV-QGZVFWFLSA-N 447.582 2.592 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)N1CCCC1 9426085 YUQCJDXDNPIWDZ-UHFFFAOYSA-N 447.532 2.581 0 40 IFAB COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 9531560 HBSLWFJMPONUBT-INIZCTEOSA-N 449.511 2.671 0 40 IFAB NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 9593468 MPRDNSQZXRMNFN-HNNXBMFYSA-N 443.847 2.671 0 40 IFAB C[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 9633416 RYJOCVLESLERKE-AWEZNQCLSA-N 430.457 2.828 0 40 IFAB O=C(CCn1nc(-c2cccs2)oc1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 9751428 NOMYLEPWGGKADX-UHFFFAOYSA-N 440.525 2.897 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 10095912 CGJKSYOCXALEDD-OAHLLOKOSA-N 441.937 2.635 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 10167147 BTNDEMFNJCABMW-LLVKDONJSA-N 429.395 2.686 0 40 IFAB Cc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc(S(=O)(=O)N(C)C)c1C 10900949 GSNMCDMAKOMWNR-UHFFFAOYSA-N 445.585 2.663 0 40 IFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 11244294 KRBVJYFGIARLJR-UHFFFAOYSA-N 441.427 2.931 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)n1 12231359 AOUDYGPKFCYFHT-UHFFFAOYSA-N 433.299 2.591 0 40 IFAB Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 12444331 HEYUOOLIBZYBRQ-UHFFFAOYSA-N 443.442 2.923 0 40 IFAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 12851454 ZBMITNOQJQNYDL-JTQLQIEISA-N 449.537 2.898 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(F)c(F)c(F)c3F)CC2)cc1 12987580 SVKNNBZVPJFIAG-UHFFFAOYSA-N 446.422 2.835 0 40 IFAB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 12990705 FCTRZRSGRRMEOB-HXUWFJFHSA-N 438.915 2.770 0 40 IFAB O=C(c1c(F)cccc1F)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 13036878 RQIPGFHVYVWZDY-UHFFFAOYSA-N 439.401 2.590 0 40 IFAB NS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)ccc1Cl 14232191 NLCTZFRSATVOIF-UHFFFAOYSA-N 435.933 2.544 0 40 IFAB O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 14246543 BDSKBRPHWHGMNR-KZNAEPCWSA-N 433.574 2.567 0 40 IFAB Cc1cc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC(C)C)c3)CC2)nc(C(C)C)n1 16103362 LPKSGRQJJNQDAY-UHFFFAOYSA-N 445.589 2.558 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 16550965 JMYVBCOLIHMMMK-ZBFHGGJFSA-N 448.416 2.995 0 40 IFAB C[C@H](NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cl 16589260 NSKFCNLQOXXUBJ-KRWDZBQOSA-N 444.963 2.924 0 40 IFAB O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349303 YAFLMMLRJIBBCA-NRFANRHFSA-N 433.487 2.840 0 40 IFAB COc1ccccc1C(=O)N1CCC(c2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 19697342 PGTYADRXXQCTDS-KRWDZBQOSA-N 437.544 2.517 0 40 IFAB COc1ccc(CCC(=O)N2CCO[C@H](c3c(C(N)=O)sc4ncccc34)C2)cc1 19703220 BOWMZRWRHJUYCE-KRWDZBQOSA-N 425.510 2.937 0 40 IFAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cnn(C)c2C)ncc1C(=O)Nc1ccccc1 19755292 NBLJMWWURAPUSP-GOSISDBHSA-N 440.529 2.605 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3csc(-c4ccncc4)n3)ccc21 19942577 AQUOTULWSXXUHJ-UHFFFAOYSA-N 428.539 2.635 0 40 IFAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1OC 20024774 MLPDZHCTDRYDOZ-OAHLLOKOSA-N 448.541 2.988 0 40 IFAB COc1ccccc1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20452673 GYKPTXKSHXEGDU-IBGZPJMESA-N 438.933 2.625 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 20453977 SWJGVSRVLIPHLD-KRWDZBQOSA-N 432.542 2.818 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)cc(OC)c1)C(=O)OC 20761407 QATGDIKBGJSNQD-ORPRQENYSA-N 430.505 2.672 0 40 IFAB biogenic C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(CCOc2ccccc2)CC1 22919935 JQBGZHXHXXLVKY-NRFANRHFSA-N 438.572 2.547 0 40 IFAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 24753409 NZWLAFQQXBGREO-DMZKTXOQSA-N 437.477 2.532 0 40 IFAB COc1ccc([C@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(OC)c1 30281752 VYVYCSCSUYWEIC-QGZVFWFLSA-N 429.498 2.851 0 40 IFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 32824115 RPQKOBDFKQSZFK-LBPRGKRZSA-N 447.904 2.633 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1(c2cccc(F)c2)CCCC1 32865717 YJOQZGFRXWHXNT-UHFFFAOYSA-N 446.544 2.975 0 40 IFAB O=C(NCCCN1CCCC1=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 32876673 BZKCSIICSSCMRI-UHFFFAOYSA-N 425.451 2.686 0 40 IFAB CC(=O)Nc1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 32901146 BGQQLOLWLGNWTR-OAQYLSRUSA-N 429.542 2.813 0 40 IFAB CCOc1cc(/C=C2/C(=O)NC(=O)N=C2O)ccc1OCC(=O)Nc1ccc(OC)cc1 33773479 CHVGYPIZYJQLTG-UHFFFAOYSA-N 439.424 2.701 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 35311644 JXTPRBPJHLNRNK-UHFFFAOYSA-N 437.587 2.556 0 40 IFAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2cc(N3CCCC3)ncn2)CC1 36708278 CWBRWNQTCBHMOH-UHFFFAOYSA-N 442.372 2.895 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O 65213858 HWQYLSRDJMLQEW-UHFFFAOYSA-N 437.949 2.869 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N[C@@H]1CCCOC1 72351316 JRRIMUXEKCRJGV-WIYYLYMNSA-N 439.560 2.647 0 40 IFAB CC1(C)C=C(CC(=O)N2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)CC(C)(C)N1 72370863 VHRPOCWUKVWWNC-IBGZPJMESA-N 436.560 2.888 0 40 IFAB CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371333 CFFYNTNCUSQFNN-AWEZNQCLSA-N 428.505 2.685 0 40 IFAB CCn1cc(NC(=O)C2CCN(C(=O)[C@@]3(C)CCCN3C(=O)OC(C)(C)C)CC2)cn1 89306088 ZAYJXWRMCNLPNH-JOCHJYFZSA-N 433.553 2.870 0 40 IFAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@]1(CC(O)=N2)C(=O)N(C)c2ccc(Cl)cc21 95472102 BGSKGSILFZDUST-HXUWFJFHSA-N 434.847 2.755 0 40 IFAB CSC[C@H]1CCN(C(=O)C2(NC(=O)C(F)(F)F)CCN(Cc3ccccc3)CC2)C1 95997804 FVRMQHIWUXSLIU-KRWDZBQOSA-N 443.535 2.911 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2C)CC1 102120164 DVEFCAILRAQDFB-BGYRXZFFSA-N 426.561 2.641 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1OC 107686890 GLGIIHIPSPAXOQ-FUHWJXTLSA-N 432.542 2.982 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 109037598 VDHBIFFCUGKQIW-SRGWNRLKSA-N 426.561 2.501 0 40 IFAB COc1cccc(-c2noc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)n2)c1 219284884 ZRXFENFPZUODBM-UHFFFAOYSA-N 436.877 2.700 0 40 IFAB Cc1cccc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 220153477 STUSPDIAJBEEIH-AWEZNQCLSA-N 434.543 2.920 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 220215678 IXGHQXFPIUBRBX-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1ccc2c(c1)OCCO2 222851054 QTDQFYXEEKQHRM-UHFFFAOYSA-N 426.494 2.693 0 40 IFAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 223186960 HQJNXNITOHJFDQ-GOSISDBHSA-N 428.554 2.866 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1cc(C)ccc1C)S(C)(=O)=O 223991746 OAGCTFRFZWCFRE-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3F)S(C)(=O)=O)n2)c1 224335161 IDJFHWPGJNBIKX-UHFFFAOYSA-N 446.504 2.604 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 225030306 MWHIYFDFDRCVHQ-ZDUSSCGKSA-N 449.554 2.792 0 40 IFAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1 245226123 IRMUKTVOJHDYFJ-FMWKFLBASA-N 434.565 2.739 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](Oc4cccc5cccnc45)C3)cc21 252572031 YVAMXIHRBUHMRD-HNNXBMFYSA-N 425.466 2.522 0 40 IFAB NC(=O)CC1(COc2ccc(F)cc2)CCN(S(=O)(=O)c2c(F)cccc2F)CC1 257251659 JRPRBSKVJGYZGY-UHFFFAOYSA-N 442.459 2.829 0 40 IFAB CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257290014 QBCZAZXSFUGCTQ-OAQYLSRUSA-N 448.567 2.879 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3cccc(F)c3)c2)C1 257311905 ULNMZAWTZJCKRB-KRWDZBQOSA-N 444.536 2.819 0 40 IFAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408558738 SJFYQJYFLDKTIO-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB Cc1ccc(Cl)cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 409027299 GETHZFOZZSTIQO-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB O=C(c1cccc(F)c1)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643555579 BXYYSVXBMCWDNN-XMMPIXPASA-N 426.488 2.959 0 40 IFAB O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1525734170 ALCLSLIEVPHTIZ-TZMCWYRMSA-N 430.858 2.818 0 40 IFAB Cc1cnc(N(C)[C@@H]2CCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)nc1 1889218769 HMWNOFCPKUGTPE-CQSZACIVSA-N 430.452 2.973 0 40 IFAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 3353124 WAXNVRCEIPXRTB-UHFFFAOYSA-N 444.738 2.644 0 40 IFAB COc1cc(NC(=O)COC(=O)c2cncc(Br)c2)cc(OC)c1OC 3488597 YPDJMATWDFZZDR-UHFFFAOYSA-N 425.235 2.665 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCN(C)C)C23CC4CC(CC(C4)C2)C3)c1 4143994 DYMRSCPTKMATHW-DRQCUQGNSA-N 443.588 2.696 0 40 IFAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 4249495 OPRQZPGTIYHVGS-CQSZACIVSA-N 427.505 2.502 0 40 IFAB CC[C@H](C)N(C(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 8825317 GAYBZBXVLLQXRJ-JJGIJDNGSA-N 436.555 2.667 0 40 IFAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)n2n1 9647351 VXFHPEZEGSNUKO-RDJZCZTQSA-N 444.582 2.797 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 9666775 ZRFCKYRIHNROOQ-UHFFFAOYSA-N 435.480 2.834 0 40 IFAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccccc2-n2cnnn2)n(-c2ccccc2)n1 9839215 GQJACDTYLNYCJS-UHFFFAOYSA-N 445.483 2.941 0 40 IFAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)c1 10105081 DKMHANHQQJKZPJ-QGZVFWFLSA-N 443.507 2.876 0 40 IFAB COc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1 10219423 JWJCORJZHVPTEZ-UHFFFAOYSA-N 449.529 2.567 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1Cl 11866598 SLCQJHRMHPGNRD-AWEZNQCLSA-N 437.924 2.781 0 40 IFAB COc1cccc(OC)c1CN1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 12219496 WDGDYQNUFIUMRY-GOSISDBHSA-N 437.544 2.964 0 40 IFAB COc1nn(C)cc1-c1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n1C 12422556 ACNBKYHHIIMKAW-UHFFFAOYSA-N 440.573 2.798 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1OC 12795713 XQMWDWWVIZDXPH-QGZVFWFLSA-N 446.525 2.742 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 13073675 CTPRGYJVBRVJLR-OAHLLOKOSA-N 442.468 2.596 0 40 IFAB CCCNC(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12 13085657 HRGAOHQVNSIBEF-UHFFFAOYSA-N 428.562 2.751 0 40 IFAB COC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sc3c(c21)COC(C)(C)C3 13593304 KDBQBPQFIJDFAA-UHFFFAOYSA-N 434.901 2.892 0 40 IFAB O=C(COc1ccc(Br)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 13759227 QGIIAFMMTCVRBO-CQSZACIVSA-N 428.304 2.637 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 13955786 DGZWYSFISJPZKK-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 13992280 UOFFASMMVYBFLN-UHFFFAOYSA-N 435.402 2.857 0 40 IFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 14241332 ILDSVHKPTBZSJZ-IBGZPJMESA-N 441.553 2.962 0 40 IFAB CCCc1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)cc1 14252922 UJWUXPCNTLVRIW-UHFFFAOYSA-N 435.509 2.961 0 40 IFAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16021199 CAJIAIMMSHCSFM-PABYOWBDSA-N 425.435 2.541 0 40 IFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)N[C@@H]1CCCc2ccccc21 16589392 ZPBXZCOACHWNET-HSZRJFAPSA-N 436.556 2.587 0 40 IFAB CSCC[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1nc2ccccc2[nH]1 16677990 XWXWHEGKARXNJD-MRXNPFEDSA-N 429.546 2.728 0 40 IFAB COc1ccc(OC)c(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)c1 16980832 RPKPWFLHHJRKCV-UHFFFAOYSA-N 425.489 2.778 0 40 IFAB C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCO2 17134305 FONRJIHZFIQBQY-CYBMUJFWSA-N 430.482 2.899 0 40 IFAB COc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1OC(F)F 17701960 WTUSUJLZBMCLGI-UHFFFAOYSA-N 440.468 2.584 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)s1 19217022 ABNPMIGYZOPYBW-SFHVURJKSA-N 449.536 2.711 0 40 IFAB O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19343664 JXQVRBVMMRDDRI-OALUTQOASA-N 428.558 2.622 0 40 IFAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)C1 19376201 YFQVSWWJJSSXKA-PMACEKPBSA-N 429.524 2.967 0 40 IFAB O=C(c1cscn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 19405682 XZGWFBBYAIGUJG-QGZVFWFLSA-N 436.541 2.852 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)c4cnn(CC)c4)C3)cc2N1 19520811 OTOZLYYLJIQKOX-XJKCOSOUSA-N 446.499 2.975 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F 19530912 MPIRIYFEXQTVSV-QCEMKRCNSA-N 444.454 2.765 0 40 IFAB CC(C)Oc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819843 OXTYGPCILFCQEC-FQEVSTJZSA-N 448.541 2.554 0 40 IFAB O=C(NCCCN1CCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20111472 RKHJQDMHAPNLJD-UHFFFAOYSA-N 441.597 2.797 0 40 IFAB COc1ccc(CCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC 20237356 IZBGQBYOFTVGKI-UHFFFAOYSA-N 440.949 2.791 0 40 IFAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccccc2)CC1 20426342 LGFSVNOJIAEVME-UHFFFAOYSA-N 434.540 2.595 0 40 IFAB COc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC 21670238 FWYHFYITVBULFA-DNQXCXABSA-N 440.540 2.661 0 40 IFAB Cc1ccccc1Nc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 23847130 MOTYYFFPDZNBQW-UHFFFAOYSA-N 446.558 2.968 0 40 IFAB CSc1nc(C)c(CCC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C)n1 25894635 BHWQEPKOXYMCAZ-UHFFFAOYSA-N 448.614 2.717 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C(C)C)cc3)c(=O)n2N)cc1 27643155 PWGANHNHDCYLAR-UHFFFAOYSA-N 439.541 2.806 0 40 IFAB CS(=O)(=O)N1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 32876161 KWPHTKUSQDHDEN-UHFFFAOYSA-N 438.553 2.752 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c2ccccc2O1 49643470 PNUCJYASGYPKPM-MBSDFSHPSA-N 443.503 2.972 0 40 IFAB COc1ccc([C@H](NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1 58157541 PDWIFBGPAZIJLM-JOCHJYFZSA-N 425.510 2.660 0 40 IFAB O=C1C[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)CN1Cc1cccc(C(F)(F)F)c1 59037252 HWLHUBMFFJGZSI-SFHVURJKSA-N 446.473 2.793 0 40 IFAB Cn1nc([C@@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n(-c2ccccc2)c1=O 77100571 JCARYJCJSSGSLG-QGZVFWFLSA-N 430.464 2.697 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 96232038 VBYYLMBVPLLPPK-SFHVURJKSA-N 427.457 2.552 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc(C4CCN(Cc5ccccn5)CC4)nn3c(O)c2C1 100232607 KLHNPCQSWJJAGT-UHFFFAOYSA-N 432.528 2.504 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@@H]3C2=O)cc1 101166182 YHWMJHFWDAQQJZ-ROUUACIJSA-N 427.848 2.671 0 40 IFAB O=C(CN1CCn2cccc2[C@@H]1c1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 105570327 ITKSIONSXRUPDD-URXFXBBRSA-N 441.597 2.851 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1 222662247 NBXHOSBFUPPPDJ-INIZCTEOSA-N 448.541 2.887 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)CC1 224168451 JHNXXNKOXFLGMI-UHFFFAOYSA-N 449.504 2.565 0 40 IFAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1Cl 224248660 NSVJLBHEEYDISE-UHFFFAOYSA-N 426.922 2.940 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3CC)S(C)(=O)=O)cc1 225083566 NFOCASQSMNGLPH-UHFFFAOYSA-N 449.554 2.886 0 40 IFAB COc1cc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1OC(C)C 225085417 TXBCIQQKTVAOCM-UHFFFAOYSA-N 432.498 2.614 0 40 IFAB Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCN(c4ccc(F)cn4)C3)cc2)n1 257229682 FZDIZNIQYYDYMF-DEOSSOPVSA-N 439.535 2.844 0 40 IFAB Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257242945 IEVKZUDGKQOFAC-HTDNTCHWSA-N 433.508 2.721 0 40 IFAB COc1cccc(Nc2ncccc2C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)c1 257329432 XJZFXTLXYMTNLM-XMMPIXPASA-N 431.496 2.888 0 40 IFAB CN(C(=O)c1cncnc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257341805 ZMBBPUQZMFYGIK-GTTYTOFKSA-N 425.529 2.546 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1 408648538 ZCHHCQNEVFUXGV-UHFFFAOYSA-N 432.498 2.608 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408651977 BYJUORLKRNTAJW-DQJMSKHYSA-N 437.279 2.671 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 408655986 DXODWSMQVMKHLI-YKTUVVHCSA-N 446.459 2.802 0 40 IFAB O=C(C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCCn1ccnc1 524729923 OLPZCFZKMKIMLP-INIZCTEOSA-N 447.447 2.762 0 40 IFAB biogenic O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cncc(Cl)c1 533174076 HYQTWRLGMTYNPX-FQEVSTJZSA-N 429.929 2.941 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(C(=O)c1ccncc1)CC2 1549168703 YKHBXGSTLXXMIW-NRFANRHFSA-N 434.540 2.793 0 40 IFAB COc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC 645258 MHFFACHAUUOANV-UHFFFAOYSA-N 447.509 2.918 0 40 IFAB CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(-c2nnc3c4ccccc4c(C)nn23)c1 2396330 YASINDYEIDWRSC-HNNXBMFYSA-N 425.514 2.611 0 40 IFAB COc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 6298913 APARZAJTZAOUQV-OAHLLOKOSA-N 425.528 2.884 0 40 IFAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 8672421 CUPZBCDMDRUQLS-CABZTGNLSA-N 425.511 2.659 0 40 IFAB CN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Cc1ccsc1 9156200 PKRQJPMCBGDGEC-UHFFFAOYSA-N 443.594 2.866 0 40 IFAB COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cn1 9221042 OUKBLVXYMMKXKS-UHFFFAOYSA-N 432.546 2.862 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N(C)CC(=O)Nc1ccccc1Cl 9339295 CGHRHPXUNAOTRQ-UHFFFAOYSA-N 449.891 2.653 0 40 IFAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)c1 9366158 QUWRLCNQPLKFTB-UHFFFAOYSA-N 437.528 2.995 0 40 IFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9377197 NDYFYTUKNMSUCR-CYBMUJFWSA-N 427.482 2.794 0 40 IFAB COc1cc(-c2c3c(C)nn(-c4ccccc4)c3nc3[nH]c(=O)[nH]c(=O)c23)cc(OC)c1O 9547986 SOXZMFBOTOCOQD-UHFFFAOYSA-N 445.435 2.649 0 40 IFAB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)N[C@H]1CCS(=O)(=O)C1 9612404 RSRYETPJWJGTIN-HNNXBMFYSA-N 446.550 2.526 0 40 IFAB Cc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)s1 11913890 YDEDGIFETFNQRQ-UHFFFAOYSA-N 427.870 2.655 0 40 IFAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCc2ccccc2Cl)c3=O)cc1 12234110 NENYHQYHVYEAMT-UHFFFAOYSA-N 425.876 2.772 0 40 IFAB CCN1CCN(c2ncc(-c3ccnc(N4CCOCC4)n3)c(-c3cccs3)n2)CC1 12275117 FQZXDROAIATDEL-UHFFFAOYSA-N 437.573 2.641 0 40 IFAB Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nc1Cc1ccccc1 12532120 BRPZMFAOPFAAIQ-AWEZNQCLSA-N 444.582 2.926 0 40 IFAB CCCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1nnc(-c2ccco2)o1 12567864 KBOAQGSVFKNONU-UHFFFAOYSA-N 443.529 2.588 0 40 IFAB CNC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12853046 BKHDUSZBIIABSC-UHFFFAOYSA-N 429.542 2.792 0 40 IFAB Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)n1 13009349 BJVRNRGPKLSFJI-UHFFFAOYSA-N 440.573 2.779 0 40 IFAB Cc1cc(I)ccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 13688824 VLJNNSGSDBBBBC-OKILXGFUSA-N 438.265 2.879 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=S)Nc1ccc(F)cc1 16268495 RJEGZXHQFVNUIS-UHFFFAOYSA-N 425.507 2.664 0 40 IFAB CCC(=O)N1CCc2nc(N3CCCC3)nc(CC[C@H]3CCCN(C(=O)CC)C3)c2C1 19499082 XFEYMBKZZNBGBP-GOSISDBHSA-N 427.593 2.953 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 19558633 XKVUBAXLCKKMRU-UHFFFAOYSA-N 431.518 2.644 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)c2nccn2C)ncc1C(=O)NCc1ccc(F)cc1 19764959 AJUJRVQDCTWWBS-IBGZPJMESA-N 436.491 2.955 0 40 IFAB COc1ccc(CCN2C(=O)[C@](NC(C)=O)(C(F)(F)F)N=C2c2ccccc2)cc1OC 19939465 JZKGRGFQTZXXMK-OAQYLSRUSA-N 449.429 2.930 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)c(C)c1 22395875 JVROWPRAANZYMJ-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB COc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC[C@H]1C 29090714 ZHHDRUXRKHDUES-MRXNPFEDSA-N 435.590 2.615 0 40 IFAB COC(=O)c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc(C(=O)OC)c1 30867877 UMLLCCXGNSDGGD-UHFFFAOYSA-N 440.861 2.537 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 32721400 YEKYODZEDZNIHV-LJQANCHMSA-N 430.526 2.792 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)ccc21 32988527 FFVXQYGYDNDAJF-FQEVSTJZSA-N 440.931 2.930 0 40 IFAB C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSCC(=O)O 35363836 BISACJKFFWCVNW-ZXYWLKTFSA-N 436.570 2.607 0 40 IFAB biogenic CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)CC1 40073540 YBBVMFROSHBOBU-UHFFFAOYSA-N 425.514 2.940 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C 40156350 ZAXGAOKXBYGWSP-KRWDZBQOSA-N 446.548 2.518 0 40 IFAB CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C 58166281 BWKPGIDAJORUFY-URXFXBBRSA-N 443.636 2.629 0 40 IFAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2Cl)cc1 84150408 XYGIRISVVYUZAW-LJQANCHMSA-N 444.963 2.913 0 40 IFAB CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1 84791116 YVRYEFIQBQKCPR-VEGGFIAOSA-N 444.479 2.768 0 40 IFAB O=C(Cn1ncc2ccccc21)N1CC[C@@H](N(C(=O)Cn2ncc3ccccc32)C2CC2)C1 89873285 DLMIMBNIHBLANP-OAQYLSRUSA-N 442.523 2.678 0 40 IFAB CSC[C@@H]1CCN(C(=O)C2(NC(=O)C(F)(F)F)CCN(Cc3ccccc3)CC2)C1 95997803 FVRMQHIWUXSLIU-QGZVFWFLSA-N 443.535 2.911 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc(C4CCN(Cc5ccncc5)CC4)nn3c(O)c2C1 100232606 BIOMEVVBXCMWIP-UHFFFAOYSA-N 432.528 2.504 0 40 IFAB COc1cc([C@H]2c3cc4c(cc3[C@](C)(O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 103989485 WFRLJGNYKYVMET-MVUQTOHYSA-N 428.437 2.583 0 40 IFAB O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 219260604 QOQGRVFIBFWJRI-LBPRGKRZSA-N 438.556 2.577 0 40 IFAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224341126 RLMHRXUELPJCLQ-OAQYLSRUSA-N 432.542 2.824 0 40 IFAB COc1ccccc1CN(C)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225171378 OAXPUWNXSGHFRU-UHFFFAOYSA-N 432.527 2.928 0 40 IFAB COC(=O)c1cc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl 225374388 FMIWAHOPUOMYHG-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB COc1ccccc1OC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225599470 ADCXBTCFIXHVFA-ZDUSSCGKSA-N 448.526 2.545 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225670626 FTVMHACUAUSITQ-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1ccsc1 245225489 VZTKCKDLXAETPI-JXFKEZNVSA-N 449.598 2.933 0 40 IFAB COCc1c(C(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)noc1C 257211839 CAQXHEXPAFIMQQ-PQNGQFLHSA-N 443.544 2.579 0 40 IFAB O=C1NCCN(C(=O)COc2ccc(F)cc2F)[C@@H]1Cc1ccc(-c2ccncc2)cc1 257220074 DJKSQRITCWWGPN-OAQYLSRUSA-N 437.446 2.975 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(C(=O)C3(c4ccccc4F)CCOCC3)CC2)C1 257297118 RFYFIAMWZRWWAZ-IBGZPJMESA-N 432.536 2.892 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl 408593452 NRNQAHFRMCUEGY-CQSZACIVSA-N 426.922 2.979 0 40 IFAB CCOCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408636138 LPEHQWQIBNLCGB-UHFFFAOYSA-N 448.585 2.780 0 40 IFAB O=C(NCCn1cccc1)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 524733625 WWCGBHVYFOWNAL-QGZVFWFLSA-N 432.933 2.795 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 618119888 CZZPXCQCCADTOE-GOSISDBHSA-N 430.516 2.623 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(CC3(O)CCN(c4ccccc4F)CC3)CC2)C1 2037846756 XMIDDIXWMMPLHS-FQEVSTJZSA-N 433.568 2.649 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 2382984 BHYVNMFOXJCMMI-UHFFFAOYSA-N 440.543 2.679 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCc1cccs1 2653218 XURSWBIPYVURIL-UHFFFAOYSA-N 441.486 2.599 0 40 IFAB COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(OC)cc4)CO[C@H]23)cc1 4235611 NVRWZVMCCHOZAG-MTQWCTHYSA-N 443.456 2.609 0 40 IFAB biogenic,in-vitro CC(C)CNC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 6759093 BPPRPRLPQCLAGO-UHFFFAOYSA-N 425.554 2.924 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1nnc(C)s1 6878499 KCVPVFXBTXLQQK-UHFFFAOYSA-N 431.547 2.678 0 40 IFAB Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)NCc1ccco1 8661427 ICCAFRAOEQTMPK-UHFFFAOYSA-N 437.521 2.994 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)ccc21 8939274 NEMPXEATXFIZQL-UHFFFAOYSA-N 436.917 2.753 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9127257 UXRWVLSLDKABDL-SFHVURJKSA-N 442.566 2.888 0 40 IFAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9335557 GAPFNBRFKQBCTC-UHFFFAOYSA-N 443.447 2.777 0 40 IFAB O=C1Cc2cc(C(=O)CSc3nnc(N4CCOCC4)n3Cc3ccccc3)ccc2N1 9365945 CYIVPTSTOHLAKW-UHFFFAOYSA-N 449.536 2.633 0 40 IFAB O=C(c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCOCC1 9663730 NVRNCFQKIHRFPA-UHFFFAOYSA-N 432.455 2.799 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(C(=O)c2ccco2)CC1 9747701 WKKPPNMKXLMOTB-UHFFFAOYSA-N 431.514 2.555 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(SC)c3)C2=O)cc1 9836002 RNLUDMGEZLHVNK-MOPGFXCFSA-N 439.497 2.739 0 40 IFAB Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 9860698 DHGASWJTXWJWCY-PMACEKPBSA-N 443.594 2.956 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1 9862399 HMZXYXYIQJHYRN-UHFFFAOYSA-N 448.564 2.888 0 40 IFAB CCCCNC(=O)CSC(Nc1ccc(CC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973861 AFCNNVPMXFALKP-UHFFFAOYSA-N 432.546 2.572 0 40 IFAB C[C@H]1CCCCN1C(=O)CSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974333 YPHBXCHRSYBWOA-ZDUSSCGKSA-N 448.520 2.634 0 40 IFAB CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 10111021 CNYDMUWTFZBZRN-UHFFFAOYSA-N 446.569 2.777 0 40 IFAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 10219532 KXTIZCOTICWPGP-UHFFFAOYSA-N 434.495 2.879 0 40 IFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O 10757963 SCYBWPOVJFHQOD-QGHHPUGFSA-N 443.319 2.737 0 40 IFAB COC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696099 LBNLGEMKPNZJED-PBHICJAKSA-N 442.541 2.531 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c(c2=O)S[C@@H](C)C3)cc1 11726682 YPAKBYBSPKASDV-BBRMVZONSA-N 447.582 2.665 0 40 IFAB O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)o1 12522463 APFJHIUAGJMJDM-UHFFFAOYSA-N 426.698 2.774 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccccc4C)nn23)cc1OC 13527451 LDKXPRFUCGNIQY-UHFFFAOYSA-N 433.468 2.926 0 40 IFAB COc1ccc2cc(C(=O)OCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)ccc2c1 14189282 FFFKGWAVGIVIOS-HXUWFJFHSA-N 445.537 2.964 0 40 IFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 14244625 PPQMALTYRBYWHX-GOSISDBHSA-N 441.553 2.641 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(C)C)c3)c2)CC1 14597651 GAOYXKCMGXESEW-UHFFFAOYSA-N 429.542 2.915 0 40 IFAB Cc1cc(C)nc(N2CCC(CN[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)n1 15023284 JLZRDTKVEDGDDK-LJQANCHMSA-N 427.936 2.885 0 40 IFAB CCCN1C=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc21 15867537 NMJKGVIXDKJECM-UHFFFAOYSA-N 442.541 2.605 0 40 IFAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H](C)N2CCCC2=O)C1 19528772 ORXTWQHVOSEYEF-AFMDSPMNSA-N 448.567 2.657 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(CC(=O)N3CCCCC3)CCO2)cc1 19694893 UVRCTTXGMQWVJK-OAQYLSRUSA-N 439.560 2.604 0 40 IFAB COCCN1C[C@@H](c2cc(N(C)C)nc(C3CCN(C(=O)CC(C)(C)C)CC3)n2)CC1=O 19697489 YBBOEXJRRJSKFG-SFHVURJKSA-N 445.608 2.647 0 40 IFAB COc1cccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)c1 19751048 IWWMKRIKSKZVQO-GOSISDBHSA-N 438.509 2.929 0 40 IFAB COc1ccc(Cc2nn3c(SCC(=O)Nc4cccc(C)c4)nnc3nc2O)cc1 22721090 VZKFOMQQHFECIP-UHFFFAOYSA-N 436.497 2.864 0 40 IFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N(Cc1ccccc1F)C1CC1 22774582 WRNYNKQHQWCPDQ-UHFFFAOYSA-N 425.504 2.863 0 40 IFAB C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(N)nc(N(C)C)n1 24904210 YLRZTAFTXRJSFF-VXGBXAGGSA-N 431.545 2.716 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2=O)cc1 28719500 IUWCGMQBJBCPJK-CQSZACIVSA-N 431.418 2.980 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 29422313 ZYPZCMDZSNEVQF-LJQANCHMSA-N 447.582 2.634 0 40 IFAB CCCn1c(CCC(=O)NCCCOC)nc2cc(S(=O)(=O)N(CC)CC)ccc21 29899978 LVLQPFLXWOBQBW-UHFFFAOYSA-N 438.594 2.562 0 40 IFAB O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 32900972 GMOOESHEJHGVSY-LBPRGKRZSA-N 444.376 2.623 0 40 IFAB C[C@H](CO)NC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 36584563 HUQRADVUGFMGJE-SNVBAGLBSA-N 425.919 2.861 0 40 IFAB COc1cccc(CNC(=O)COC(=O)c2ccccc2I)c1 39582097 HJMKLEYIZYQGAJ-UHFFFAOYSA-N 425.222 2.773 0 40 IFAB C[C@H](C(=O)Nc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1)n1cncn1 40141996 QGAPDOGVMCFXOD-CYBMUJFWSA-N 440.895 2.774 0 40 IFAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 40150821 IDGNNTNLGAXEFS-KRWDZBQOSA-N 427.954 3.000 0 40 IFAB CCN(Cc1ccccc1)C(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O 40477232 COJFRPUNGVXDSD-UHFFFAOYSA-N 436.903 2.738 0 40 IFAB Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)n2)n1 49411627 RRBNEBFVKWIUAL-UHFFFAOYSA-N 445.571 2.844 0 40 IFAB COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 49550560 TXFBGZJRHWRGMY-NSHDSACASA-N 435.253 2.856 0 40 IFAB COC(=O)C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 58003273 RCOPWWCHUHBVBK-QGZVFWFLSA-N 437.334 2.818 0 40 IFAB CC(=O)N[C@H](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 69620530 LSALAGKASSQRBQ-HXUWFJFHSA-N 443.931 2.980 0 40 IFAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)n1 72356209 GYTUNFZRZWWCDM-GOSISDBHSA-N 435.977 2.889 0 40 IFAB CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 95458131 HPAGTDHZHSJOPE-SZNDQCEHSA-N 436.505 2.589 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1ccccc1F 96521132 JZXZJESWKZCOKN-NXEZZACHSA-N 437.068 2.778 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)C5CCCC5)CC4)nn3c(O)c2C1 100242813 FFQSMMNXJQWOEL-UHFFFAOYSA-N 425.533 2.626 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 101513805 WFPYHBYBIXXFGM-BGYRXZFFSA-N 440.477 2.868 0 40 IFAB Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O 137480993 RCDRDNAWCRDRDC-UHFFFAOYSA-N 429.542 2.944 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165643342 POEMEBQZOKKCGM-XJEZRWEYSA-N 426.513 2.841 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1)c1ccccc1Cl 225773468 QHTKFXSLUMEDMC-UHFFFAOYSA-N 438.874 2.973 0 40 IFAB Cc1nc(Nc2cccc(C3CCN(C(=O)CC[C@@H]4NC(=O)NC4=O)CC3)n2)sc1C 257341849 ZMDYSOZIARSGHV-INIZCTEOSA-N 442.545 2.593 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c(C)c1 408653573 INSAAGZQWHOAIM-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408655382 CTWDJEGXNIZNQF-AYJQOQHFSA-N 444.487 2.587 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 409068120 KGQHOUJQUAJFOM-LMOLPZMTSA-O 448.474 2.859 0 40 IFAB Cc1ccc(NCCCNC(=O)N(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)nc1 1564607022 IYWYMABUWYFRNE-GOSISDBHSA-N 445.589 2.820 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 667380 GIDFTSPCKXBXIU-INIZCTEOSA-N 432.542 2.982 0 40 IFAB Cc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 1015466 AYTHHBUHIGECLO-UHFFFAOYSA-N 439.940 2.902 0 40 IFAB CCOC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1 2971562 WUSGLHPQYXIUHS-UHFFFAOYSA-N 439.537 2.937 0 40 IFAB O=C(OCc1nc2ccccc2s1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3387982 JFMDVPVSVHHSAD-UHFFFAOYSA-N 436.486 2.813 0 40 IFAB COc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1S(=O)(=O)N(C)CCc1cccnc1 6143262 KVMJSOHQLYZHNC-UHFFFAOYSA-N 448.541 2.725 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1 6530341 FGJIWVPVKJDONB-UHFFFAOYSA-N 428.547 2.621 0 40 IFAB O=C1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1Cc1ccc(F)cc1 9038195 JFZAUNFFMVSGIT-CQSZACIVSA-N 441.322 2.915 0 40 IFAB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(Cl)c1 9253284 PYULQVLFRZQPJD-MRXNPFEDSA-N 437.974 2.817 0 40 IFAB CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCO 9431995 DPGIYMXDQPFYBI-RUZDIDTESA-N 432.476 2.858 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1cccc(Cl)c1 9485607 LIYZPTHLALPOCS-INIZCTEOSA-N 429.860 2.586 0 40 IFAB COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2 10186682 LRJQIFPJQLZVLH-UHFFFAOYSA-N 436.537 2.592 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)c1 10254914 XSUSEYANNQECII-UHFFFAOYSA-N 442.497 2.595 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1=O 10677392 MVPZIDJVEHZZEC-DEOSSOPVSA-N 431.496 2.688 0 40 IFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F 10833796 FYLWINFIJYQKPM-ZDUSSCGKSA-N 445.310 2.809 0 40 IFAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 10871078 XCKBRJOBVCCTDB-UHFFFAOYSA-N 444.509 2.859 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 12228348 WWCXVRPNCXJASL-UHFFFAOYSA-N 434.431 2.627 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CN(C)CC(=O)Nc1ccccc1Cl)CC2 12743961 FBAPMRHBGKRQEY-UHFFFAOYSA-N 431.920 2.812 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 12766403 KXQQQBQMWMFGTH-UHFFFAOYSA-N 440.525 2.997 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 12769291 GBRXDJKCHIJMSM-HXUWFJFHSA-N 447.626 2.802 0 40 IFAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(Br)cc1F 12981680 KMGYUBKTQUFAOM-UHFFFAOYSA-N 432.249 2.599 0 40 IFAB COC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)sc(C)c1C 13022594 TUZRBXKINPPYBQ-UHFFFAOYSA-N 439.559 2.529 0 40 IFAB CC1=CC=CN2C1=NC(=O)C[C@]2(C)C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1 13083016 BTWRCKNHFIYJAG-RUZDIDTESA-N 434.540 2.937 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 13165328 JMDIKTVMRYULLA-JOCHJYFZSA-N 427.570 2.665 0 40 IFAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 13567095 BZHALDSLZJOHSF-UHFFFAOYSA-N 436.555 2.755 0 40 IFAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2NC1=O 14162674 HIHIEDCNZVQXPS-ZDUSSCGKSA-N 441.465 2.730 0 40 IFAB O=C(CSc1nnc(-c2ccc[nH]2)o1)NCC(=O)Nc1ccccc1Br 14198084 YRIXZBOBJKQRFM-UHFFFAOYSA-N 436.291 2.674 0 40 IFAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cn2)cc1C 16841943 TUUJEAIAMKGFHZ-UHFFFAOYSA-N 436.537 2.889 0 40 IFAB O=C([C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2O1)N1CCOCC1 16964608 DGFLOGKBMQLNEV-GOSISDBHSA-N 436.386 2.852 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cn2cncn2)C1 19448829 VIEGILALKUJXST-VWLOTQADSA-N 446.555 2.716 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692692 VMXIXEKXLSCNCD-FQEVSTJZSA-N 448.527 2.595 0 40 IFAB Cc1ncc(C(=O)N2CCOCC2)c(CCNC(=O)C2(c3ccccc3F)CCCC2)n1 19697228 CLHURNIITALRPP-UHFFFAOYSA-N 440.519 2.567 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)CC3CCCC3)nc2n(C)c1=O 19743647 WFIAGBUUPOLYPV-HNNXBMFYSA-N 438.450 2.895 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2cccs2)n1CC(N)=O 22765081 XJIBPHDPBLUTBI-UHFFFAOYSA-N 441.991 2.958 0 40 IFAB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 23080102 AAFNJJFCERTDST-UHFFFAOYSA-N 426.469 2.677 0 40 IFAB O=C(O)C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(CCOc2ccccc2)CC1 24835056 XTYZTBRWMJPFNC-HXUWFJFHSA-N 449.910 2.958 0 40 IFAB O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1nc2ccccc2s1 32073933 PHUPWIAPYFNALQ-CYBMUJFWSA-N 426.473 2.933 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C1 32841555 MHNAHWYHKNKBKA-AWEZNQCLSA-N 437.418 2.975 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCc2ccco2)C(=O)CN2C(=O)COc3ccccc32)c1 35312439 HMKFCLOOGRLQLT-UHFFFAOYSA-N 447.491 2.971 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 35392933 RGGBLOJLAMJKIK-UHFFFAOYSA-N 428.341 2.938 0 40 IFAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 36397095 GUNLEEONGGEUCV-QFIPXVFZSA-N 448.502 2.727 0 40 IFAB CCN(CC)c1nc2sc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2s1 40155396 CUROPSJRONQXPO-UHFFFAOYSA-N 449.646 2.974 0 40 IFAB CSCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 40156181 GJQRZPAHKGJJOY-HNAYVOBHSA-N 446.598 2.981 0 40 IFAB CCOc1ccc(NC(=O)Cn2nc3cc(-c4ccc(OC)cc4)nc(C)n3c2=O)cc1 49407179 RYMKUHYEJFOYTC-UHFFFAOYSA-N 433.468 2.912 0 40 IFAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57063872 NUFQAXMADQENHW-UHFFFAOYSA-N 440.475 2.863 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C[C@H]3CCCO3)cc2c1 57643397 DMQLXFASHKYSIB-LJQANCHMSA-N 434.500 2.646 0 40 IFAB C[C@H]1C[C@@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C(=O)[C@H](C)C1 61895120 BCMABKOQTPATAU-DZJHOTPTSA-N 427.497 2.865 0 40 IFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)CN(C)c2nc3c(C)ccc(C)c3s2)cc1 70973881 QMNHJPGLDKSUGE-UHFFFAOYSA-N 446.554 2.813 0 40 IFAB O=C(COc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321244 PZHFFDYRMIDMKP-RCZVLFRGSA-N 447.491 2.560 0 40 IFAB biogenic,in-vitro CCOC(=O)c1sc2ncnc(N3CCN(C(=O)c4ccc(O)cc4)CC3)c2c1C 84795600 AVCOTYTUVBQNOQ-UHFFFAOYSA-N 426.498 2.844 0 40 IFAB COC(=O)C1CCN(CCCNC(=O)c2ccc(C)c(I)c2)CC1 95348994 ZNZHXOVDFYCOGZ-UHFFFAOYSA-N 444.313 2.605 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)Cc5ccccc5)CC4)nn3c(O)c2C1 100242805 OPZLVDADDFIDNF-UHFFFAOYSA-N 447.539 2.678 0 40 IFAB CSc1ncc(-c2nnsc2C(=O)OCCCNC(=O)c2cccc(F)c2)cn1 223858012 RJOWTZHDZWEIKQ-UHFFFAOYSA-N 433.490 2.833 0 40 IFAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 224134115 PDNADFCCKLDOTC-HNNXBMFYSA-N 430.526 2.740 0 40 IFAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224328981 ULOUNKYFLBZJSD-UHFFFAOYSA-N 429.524 2.943 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccccc1C(N)=O 224433947 KKTMDZOETVCZES-UHFFFAOYSA-N 445.541 2.540 0 40 IFAB C[C@@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 224775035 GWDIKWMPXBVXDY-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB COC[C@@H](C)NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224797026 URLFMTARUDWXFK-CQSZACIVSA-N 440.949 2.934 0 40 IFAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225580637 LTQXHYLLFMZKRB-KRWDZBQOSA-N 449.548 2.534 0 40 IFAB CC(C)Cc1cc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)n(C)n1 257310928 UHFOIZUMPWVJOV-QHCPKHFHSA-N 430.524 2.935 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 260834418 LVEKXYPZZVMFSF-HZPDHXFCSA-N 448.541 2.807 0 40 IFAB CC(C)CC(=O)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(C(=O)c1ccccc1)CC3 306134167 NEZSHBPYRDXZPP-UHFFFAOYSA-N 448.567 2.653 0 40 IFAB O=C1CNC(=O)N1C1CN(S(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 390825918 PSGPTPQKKSOCLS-UHFFFAOYSA-N 440.308 2.585 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(I)cc1 409025297 SUQWICCDLLKHGK-UHFFFAOYSA-N 448.257 2.835 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 409254669 FHECYWLGIFAWPX-UHFFFAOYSA-N 447.557 2.938 0 40 IFAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H]4Cc5cc(F)ccc5O4)CC3)cc2NC1=O 607112210 DDKGWXWMIGCSQU-YEJXKQKISA-N 438.455 2.970 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 670438 LSQBWNAZHMKJMI-XGHXRCDJSA-N 426.469 2.839 0 40 IFAB CC(C)COC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2245993 JGKNUOYNTZMHEK-UHFFFAOYSA-N 439.497 2.616 0 40 IFAB O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3219606 PBEHCJAJPAEXEE-UHFFFAOYSA-N 425.268 2.657 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)cc1OC 3280121 RYCOEMFNEHOPEG-UHFFFAOYSA-N 433.921 2.738 0 40 IFAB COc1cc(C2=NO[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1OC 4056922 QKXAMLBOJCXPTF-NRFANRHFSA-N 443.475 2.693 0 40 IFAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 6821022 LNJOHORCYMNVNS-CQSZACIVSA-N 449.964 2.962 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CN(C)CC(=O)Nc1cccc(C)c1C)CC2 7455266 VFNVKLFDTCJARW-UHFFFAOYSA-N 425.529 2.776 0 40 IFAB CCOCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 8246704 DQMQLKWRSLAEAI-UHFFFAOYSA-N 427.501 2.927 0 40 IFAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(Cl)cc1)N1CCNC1=O 8966008 AHOJVIOKPZJJBG-UHFFFAOYSA-N 434.953 2.551 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C[C@H](C)O1 9141149 JDKJZIBXOHSNAX-GJZGRUSLSA-N 435.473 2.663 0 40 IFAB CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl 9192723 KDRQOJZQTNTYPX-UHFFFAOYSA-N 440.331 2.627 0 40 IFAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccc2c(c1)OCO2 9659259 MCVKPMZNRRJEGT-UHFFFAOYSA-N 439.449 2.712 0 40 IFAB CCCN1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)CC)c3)c2C(N)=O)C1 9707745 BPJCAIFBRLTIPB-UHFFFAOYSA-N 435.571 2.661 0 40 IFAB NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 9739460 OXWLKLYBIDCNMC-UHFFFAOYSA-N 443.341 2.622 0 40 IFAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 10143607 BPUNQWNWMGWGAC-LBPRGKRZSA-N 425.532 2.631 0 40 IFAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCN(C(=O)c2ccco2)CC1 10157601 ZTXGNSOFKUEERD-UHFFFAOYSA-N 432.440 2.861 0 40 IFAB biogenic CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccc(F)c(F)c1 10281717 AXYMCGVETVJNTQ-UHFFFAOYSA-N 432.489 2.920 0 40 IFAB CCN(CC(=O)Nc1ccc(C)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430628 GKKXOSAUVWBPGR-UHFFFAOYSA-N 441.919 2.594 0 40 IFAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)C2)on1 12251877 YISBCSRARRMOQT-CYBMUJFWSA-N 436.497 2.687 0 40 IFAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 12412335 IAYMMRZDTONQQU-KRWDZBQOSA-N 449.536 2.899 0 40 IFAB COc1cccc(N2C[C@H](C(=O)Nc3nc(C)c(-c4nnc(S)n4C)s3)CC2=O)c1 12909301 SXZWMNLFWZEJQS-LLVKDONJSA-N 444.542 2.536 0 40 IFAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12981445 BHRIDNSVLNQIGS-GOSISDBHSA-N 427.570 2.817 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@@H]1c1ccc(OC)cc1 13006974 JYPWELMUUQJECK-LPHOPBHVSA-N 430.530 2.508 0 40 IFAB O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 13118044 OPIJFIYCVWSSGO-CYBMUJFWSA-N 427.573 2.849 0 40 IFAB O=C(NCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 13548346 KQJNAGFUOFNHFR-ZGXDEKTJSA-N 427.504 2.809 0 40 IFAB O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 13566287 KBXGXUSPBIZUFL-UHFFFAOYSA-N 445.372 2.797 0 40 IFAB O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cc3c2N1CCC3 17156147 RNLXKWNRMWSSEA-UHFFFAOYSA-N 429.517 2.562 0 40 IFAB O=C(NCCSc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 17370932 POWBBUFNBLQEQN-UHFFFAOYSA-N 440.974 2.883 0 40 IFAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4cnc(C)cn4)CCO3)c2)cc1 19212768 KJMKJRWMWYZFHI-VWLOTQADSA-N 430.508 2.700 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19591175 JRRQJRHMKPKYTI-VWLOTQADSA-N 448.498 2.787 0 40 IFAB Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19793667 GUNDOCKFAJIUFV-UHFFFAOYSA-N 434.540 2.949 0 40 IFAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)N1CCN(c2ccccn2)CC1 21882520 WGMSOKOHTGWVNG-UHFFFAOYSA-N 437.569 2.930 0 40 IFAB O=C(CNCCN1CCOCC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 22030032 MGMHJNFUVXTTKF-UHFFFAOYSA-N 427.570 2.718 0 40 IFAB COc1ccc2nc(NC(=O)c3nn([C@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2c1 27985854 WLEYSNSDPWJZES-LBPRGKRZSA-N 446.554 2.992 0 40 IFAB CCCn1c(N2CCN(C(=O)Nc3ccccc3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555901 XWYITIHFDBKNLZ-UHFFFAOYSA-N 449.511 2.932 0 40 IFAB O=C(CN1CCN(C(=O)c2ccccc2SCc2cccs2)CC1)N1CCOCC1 36389549 CLCQTUYYYAGSIF-UHFFFAOYSA-N 445.610 2.657 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38835167 KEQSBQCWQIYJGU-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)NCc1ccc(F)cc1 49411544 PFVGCSZGCGLVOF-UHFFFAOYSA-N 444.463 2.776 0 40 IFAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccc(F)cc1F 57520204 UQSSYOKROVWWET-UHFFFAOYSA-N 430.440 2.564 0 40 IFAB COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)CC(F)(F)F)n2)cc1OC 58049068 QGXREPWSZWQBDQ-UHFFFAOYSA-N 425.367 2.541 0 40 IFAB O=C(CN1C(=O)S/C(=C2/SC(=O)NC2=O)C1=O)Nc1cccc(C(F)(F)F)c1 65090545 YVOQAIOOLJBMLN-MDZDMXLPSA-N 431.373 2.534 0 40 IFAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1 78985032 BPIDWRKLBUXXAI-JOCHJYFZSA-N 440.519 2.700 0 40 IFAB COc1ccccc1CNC(=O)[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 80337872 NCVGRIAESUFRPU-MRXNPFEDSA-N 430.936 2.885 0 40 IFAB CCOC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(C)C 84791155 NAUGNYXZTXRXNG-LJQANCHMSA-N 438.590 2.716 0 40 IFAB O=C(Nc1nc2c(s1)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2)c1ccoc1 90582632 ZTAJANVTHSUDTD-OAHLLOKOSA-N 436.493 2.926 0 40 IFAB CC[C@@H]1c2cccn2CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 95427586 DZRRNPFZGCYZOE-MRXNPFEDSA-N 440.363 2.865 0 40 IFAB COCC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 95465960 LAUGBKKHTMNPKZ-MSOLQXFVSA-N 440.587 2.882 0 40 IFAB COCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc21 96120147 CZOORIVEDYDQND-UHFFFAOYSA-N 438.452 2.861 0 40 IFAB Cc1cccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)c1 96145916 WAFCDMAVHPILJJ-VXKWHMMOSA-N 443.613 2.973 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)[C@H](c3ccco3)C2)cc1 102381660 SEMNONKIKNRDCV-NSHGMRRFSA-N 433.464 2.917 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc3c(c1)OCO3)=C2C 219188973 FTGXRGSHTVHSRR-UHFFFAOYSA-N 432.454 2.582 0 40 IFAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)n2)cc1 222466527 BHHNDHKTLGPUNX-UHFFFAOYSA-N 444.513 2.722 0 40 IFAB Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223153185 OBINZYBLDJTVCZ-DHIUTWEWSA-N 449.580 2.883 0 40 IFAB CCSc1nnc(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)s1 223298534 DIWCORQNGWKMIX-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O 223893961 KUNSAZUDBLSPBQ-LBPRGKRZSA-N 442.584 2.810 0 40 IFAB COc1ccccc1OCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223897261 GMJZBZCVHDFNDZ-CQSZACIVSA-N 426.922 2.698 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 223982953 FIHMCAAZLNCBKO-OAHLLOKOSA-N 440.949 2.694 0 40 IFAB COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 224877330 LYBAUQGJPJKYFM-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB CCSc1nnc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)s1 225390655 FQEMVMFGAMSDSA-UHFFFAOYSA-N 436.968 2.717 0 40 IFAB CC(=O)N1CCC(N2CCN3[C@H](CN(C(=O)c4ccc(Cl)cc4)CC3(C)C)C2)CC1 253403866 QPFWVIJWJUOGSK-NRFANRHFSA-N 432.996 2.572 0 40 IFAB biogenic,in-vitro O=C(NCCn1nnn(-c2cccs2)c1=O)C1(c2c(F)cccc2Cl)CCCC1 257291335 QGNMYWCRWZOLIC-UHFFFAOYSA-N 435.912 2.911 0 40 IFAB O=C(NCc1cccc(F)c1)[C@@H]1CCc2nnc([C@@H]3CCN(C(=O)c4ccccc4)C3)n2C1 306123889 AZOYDSCBJJVAHE-WOJBJXKFSA-N 447.514 2.926 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 408590026 GRYLLLLDSWTAQD-LJQANCHMSA-N 445.585 2.636 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)COC)c(C)c2)cc1 408675005 OPCBVGSWRXGUQX-MRXNPFEDSA-N 436.530 2.724 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 827608939 OCIZJTGFMSFSOU-AWEZNQCLSA-N 430.507 2.671 0 40 IFAB COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 1177259563 OTPVJUSTJCDXDB-SGTLLEGYSA-N 435.546 2.926 0 40 IFAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2)N1CCN(C(=O)c2ccco2)CC1 793187 QQZOXZBHASSWBN-CZUORRHYSA-N 437.422 2.772 0 40 IFAB Cc1cc(C)n2c(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)nnc2n1 2627181 PPFDNVAHNVPQOR-SECBINFHSA-N 430.559 2.757 0 40 IFAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCc2ccccc21 3544598 TYBKHXXIVUJZCI-KRWDZBQOSA-N 442.537 2.996 0 40 IFAB CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)c5ccccc5)CO[C@H]34)n2)cc1 5397772 XHNXEKHIBUVLIM-MYDTUXCISA-N 445.523 2.586 0 40 IFAB biogenic,in-vitro COC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 6577221 TXRCCSOLOJKLNZ-HXUWFJFHSA-N 432.270 2.738 0 40 IFAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6631810 WVDFZVBVGUQFSK-AWEZNQCLSA-N 449.602 2.756 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O 8644299 WLOPKGWPHOEJSA-OAQYLSRUSA-N 429.498 2.947 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c(C)c1 8984537 XCAWCFLFAHHSMS-UHFFFAOYSA-N 430.936 2.890 0 40 IFAB O=C([C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccccc2)CC1 8992906 JTNWOZQADZMADN-HNNXBMFYSA-N 425.924 2.572 0 40 IFAB Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(Oc2ccccc2)cc1 9243140 RZWGMUQGDKTBMC-UHFFFAOYSA-N 445.479 2.622 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1 9302957 MBAYEIOOGYAWMY-GOSISDBHSA-N 441.553 2.936 0 40 IFAB COC(=O)c1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 9430107 BDJWLPHUBNYJOT-HXUWFJFHSA-N 436.464 2.695 0 40 IFAB COCCNC(=S)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 9465798 XSARFXHBAJYJGB-UHFFFAOYSA-N 439.541 2.670 0 40 IFAB COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 9519402 DTEKKMCCFLYBMA-UHFFFAOYSA-N 435.480 2.639 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9584843 FLEFRSZRLROBIQ-MYYSRTQBSA-N 432.480 2.534 0 40 IFAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10219312 GZQNUVWWJNJIKP-UHFFFAOYSA-N 432.479 2.960 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11795861 QSAKRFDFIUBZFB-INIZCTEOSA-N 447.538 2.719 0 40 IFAB O=C1N[C@@]2(CCCN(C(=O)C3CCN(C(=O)Cc4ccccc4)CC3)C2)Nc2ccccc21 12089272 GVKMKEZCVQRIOV-AREMUKBSSA-N 446.551 2.642 0 40 IFAB O=C(OCc1ccccc1)C1=NN[C@]2(CC(=O)N(c3ccc(Br)cc3)C2=O)C1 12376509 SLRQMCICRXEZAA-FQEVSTJZSA-N 442.269 2.544 0 40 IFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12531585 YCULQSKXBYFMPV-UHFFFAOYSA-N 436.537 2.712 0 40 IFAB CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1 12746147 ZLMOVGIPZNKOKB-GOSISDBHSA-N 439.578 2.707 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 12781287 UBXBMOGMKNDFGN-RDTXWAMCSA-N 441.484 2.730 0 40 IFAB COc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cs2)cc1 12870551 HWAUKOXUVBEGKS-UHFFFAOYSA-N 443.550 2.965 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccccc1Cl 12870734 DIVUCVIWEFTJHL-UHFFFAOYSA-N 433.961 2.774 0 40 IFAB COc1ccc(C(=O)COC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)cc1 12872850 DALVWSUFBWTPRE-IBGZPJMESA-N 431.510 2.738 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 12882413 UEHDPZJXRLFTPG-MRXNPFEDSA-N 434.514 2.551 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC(=O)Nc1cccc(C)c1C 12927882 PJHOIJYONRXWAG-UHFFFAOYSA-N 429.542 2.765 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 13163366 HUNRUGGDVNUWMC-SHACYNPGSA-N 449.463 2.848 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCN(C)CC1 13941786 OTEQIVPPVZOYBK-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB COc1ccc(CN2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)cc1OC 19561216 PCFHORVAPGRIOD-SBUREZEXSA-N 432.467 2.857 0 40 IFAB COc1cccc(CN2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)c1OC 19568103 ONUVLICOOBHFFK-SBUREZEXSA-N 432.467 2.857 0 40 IFAB CCOC(=O)Cc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 19991941 VBIKMBOILPRPJK-UHFFFAOYSA-N 432.524 2.787 0 40 IFAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1cc2ccccc2c(=O)[nH]1 21591925 QHASGRKWUVRICD-UHFFFAOYSA-N 444.465 2.882 0 40 IFAB COc1cc(OC)cc([C@@H](NC(=O)CCNC(=O)Nc2ccccc2)c2nccn2C)c1 24022376 WUQSSHLMBSZXKS-OAQYLSRUSA-N 437.500 2.855 0 40 IFAB Nc1nc(CN2CCN(C(=O)c3cccc(Br)c3)CC2)nc2ccccc12 24527271 ODHGLOHLMSUAFK-UHFFFAOYSA-N 426.318 2.933 0 40 IFAB COc1cc(CC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(OC)c1OC 25212542 WKMMNULVTPYOQW-UHFFFAOYSA-N 430.476 2.815 0 40 IFAB O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 25480636 ZGRQDZYMXGUTTC-UYAOXDASSA-N 436.599 2.510 0 40 IFAB CCCNC(=O)[C@@H]1CN(C(=O)CCCn2cnc3c(C)cccc3c2=O)c2ccccc2O1 32847887 MPSJCIUTODLPIX-NRFANRHFSA-N 448.523 2.806 0 40 IFAB CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 32996095 GWTNDTHGDQNGIA-VZUCSPMQSA-N 446.525 2.767 0 40 IFAB Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O 38753135 GQRKBMXHAPCTNQ-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 44904262 DOHKKSULVOPDJT-CQSZACIVSA-N 438.933 2.861 0 40 IFAB CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc(C(=O)O)cc4)n3)cn2)CC1 49155099 ZBNFCQDXLVOEHI-FQEVSTJZSA-N 448.527 2.919 0 40 IFAB biogenic,in-vitro C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 58139757 HYTHEVIYSNDMSN-APWZRJJASA-N 448.614 2.715 0 40 IFAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)c3ccc(OC)cc3)c(=O)n2n1 65535133 DOHOMGNFFRBILF-UHFFFAOYSA-N 436.468 2.905 0 40 IFAB Cc1cc(C)n([C@H](C)C(=O)NCCN(CC(F)(F)F)C(=O)[C@@H](C)n2nc(C)cc2C)n1 72292813 GZOOHKPKXPTBBY-IAGOWNOFSA-N 442.486 2.643 0 40 IFAB COC(=O)c1cccn1C1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 78878190 CJIBVZQIPOQMBF-UHFFFAOYSA-N 430.892 2.935 0 40 IFAB CCN(C)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 78935313 LUOYEZYNERNJAV-KRWDZBQOSA-N 431.558 2.910 0 40 IFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-n3cccc3)nn2)CC1 90607799 YZMRNQVWSWECJB-UHFFFAOYSA-N 437.447 2.797 0 40 IFAB CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 95100962 SXLVYXORHYMBFQ-HSZRJFAPSA-N 434.540 2.676 0 40 IFAB Cc1cccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)c1 96241139 NQGBNUYUSBBWFA-LJQANCHMSA-N 434.583 2.790 0 40 IFAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1cc(F)ccc1Br 97160138 UIDAWKUKBGOQFM-IJEWVQPXSA-N 430.343 2.930 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1cccc2ccccc12 222710640 TYZOFBACBNNQPY-UHFFFAOYSA-N 440.521 2.556 0 40 IFAB Cc1ccc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1C 225253907 ASWVEDGHARUQRY-LJQANCHMSA-N 432.542 2.806 0 40 IFAB COc1ccc(S(=O)(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)cc1C(N)=O 225684741 UYQLLOJCLFOKKY-ZDUSSCGKSA-N 438.571 2.699 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 225886522 PPYQOXMHULUURP-SFHVURJKSA-N 448.932 2.981 0 40 IFAB Cc1c(CCC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cnn1C 257233078 GNQYPMWGDIRSSJ-QFIPXVFZSA-N 432.952 2.878 0 40 IFAB CCOc1ccc(N(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 260746160 SXLHOERIEPEQRT-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1nnc(-c3ccccc3)s1)O2 260837089 DBVOSWVRGLQGPD-MRXNPFEDSA-N 430.511 2.679 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 408550218 BOYQNLXRQFSVRJ-AEFFLSMTSA-N 432.542 2.982 0 40 IFAB Cc1ccc(CN(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1 408619475 IOEGFSJWQHGGGJ-UHFFFAOYSA-N 426.542 2.589 0 40 IFAB Cc1ccc(NC(=O)c2sc3[nH]c(CN(CC(N)=O)C(C)C)nc(=O)c3c2C)c(C)c1 552306099 GFVPIWSZAARGCN-UHFFFAOYSA-N 441.557 2.858 0 40 IFAB O=S1(=O)C=C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575424176 SZLJAQZANYWGPO-INIZCTEOSA-N 442.356 2.951 0 40 IFAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 585261884 IZBSCRDQLQNXMT-XMMPIXPASA-N 426.532 2.969 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCN(c4ccccc4)C3)n(C)c2)C1 604241449 QSJQNAZZHNSFDZ-RTBURBONSA-N 444.601 2.845 0 40 IFAB O=C(Cc1ccccc1F)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643557168 SXZSEEBKWZHNGO-RUZDIDTESA-N 440.515 2.887 0 40 IFAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)NCc1cccc(Cl)c1 1547200743 BUWKHFYUDSAXPX-UHFFFAOYSA-N 432.267 2.656 0 40 IFAB COc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)COc2ccc(OC)cc2)cc1 676661 DARHGKCPOYAWFW-FGZHOGPDSA-N 442.512 2.705 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Cc2cccs2)C1)c1ccncc1 4258981 SVXCXUDZHWSGRC-DOTOQJQBSA-N 434.521 2.746 0 40 IFAB biogenic,in-vitro COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 4436161 JMHKDCTWTYLZNH-ZDUSSCGKSA-N 432.527 2.739 0 40 IFAB COc1ccc2cc(CN(CCCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1 6198482 IPYNNLOGFMHASL-UHFFFAOYSA-N 428.558 2.958 0 40 IFAB CCCN(CC(=O)N1CCN(c2ccc(O)cc2)CC1)Cc1nnc(-c2ccco2)o1 7241396 UKMWJZCJDPLUEW-UHFFFAOYSA-N 425.489 2.596 0 40 IFAB Cn1cnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 8692943 XFNCTCYYVGIOJU-UHFFFAOYSA-N 443.982 2.764 0 40 IFAB COc1ccc(C(=O)N(C)Cc2ccc(Br)cc2)cc1S(=O)(=O)N(C)C 8750119 WQEOXOGKTSNDKO-UHFFFAOYSA-N 441.347 2.980 0 40 IFAB O=S(=O)(NCCc1nc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1 8834526 IZGRTQGVRKHBHC-UHFFFAOYSA-N 441.534 2.794 0 40 IFAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1CCc1cccs1 9349356 QRCDZAFNCGISIQ-UHFFFAOYSA-N 447.582 2.704 0 40 IFAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1nccnc1N 9464510 SKOAJMKQQUOUOJ-UHFFFAOYSA-N 432.483 2.821 0 40 IFAB COC(=O)c1ccc([C@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 10232714 GOSIQNLKQREXQH-KRWDZBQOSA-N 435.831 2.970 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc(Cl)c(C(F)(F)F)c1 10450079 OFGMDHWYNMMSJE-UHFFFAOYSA-N 441.903 2.727 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F 11068527 LCKUFXJVNHQJMO-GFCCVEGCSA-N 434.418 2.738 0 40 IFAB CNS(=O)(=O)c1ccc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1 11919020 JRFBFNRIKYVRKR-UHFFFAOYSA-N 446.525 2.550 0 40 IFAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 12229929 IKNNYINJEQBNTC-MRXNPFEDSA-N 435.509 2.716 0 40 IFAB O=C(CSc1ncnc2sccc12)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 12549418 VXQCMQRJWYAZPI-HNNXBMFYSA-N 433.580 2.999 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](C)c3cccc(F)c3)CC2)c(C)c1 13031456 ONEUGIPYIOJFLY-SFHVURJKSA-N 433.549 2.626 0 40 IFAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3nccs3)C(=O)[C@H]12 13371424 JGAMTRCHRAOMSO-ZFYQLXOFSA-N 444.123 2.909 0 40 IFAB CCN(C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@@H]1CCS(=O)(=O)C1 13525700 VXZDRTXPFHHIRF-QGZVFWFLSA-N 427.950 2.731 0 40 IFAB COc1ccc(OC)c2c1cc(C(=O)NCCCC(=O)N=c1[nH]c3ccccc3[nH]1)n2C 13688656 KWFWLOWJIJZZNI-UHFFFAOYSA-N 435.484 2.642 0 40 IFAB O=C(NCCc1cnc[nH]1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 13735663 NORSXMLTCXURDL-UHFFFAOYSA-N 427.511 2.793 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)s1 13848271 VZEGTKYYDSNUSO-UHFFFAOYSA-N 444.542 2.519 0 40 IFAB O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(Cl)cc1 13894038 KOYMJEVSOMMNOV-UHFFFAOYSA-N 449.338 2.506 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)ccc21 14249962 QFOPDXTYZVMDJT-HXUWFJFHSA-N 431.558 2.949 0 40 IFAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1ccc(F)c(F)c1 16279279 DAZHYGAKCBPJCQ-LBPRGKRZSA-N 436.436 2.598 0 40 IFAB Cc1ccc2nc(NC(=O)CSc3nc(=O)n(CCN(C)C)c4c3CCC4)sc2c1 17122112 ZVEIIDYZUSISEE-UHFFFAOYSA-N 443.598 2.943 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3cscn3)CC2)on1 19123176 NOLWDDREGACUHV-UHFFFAOYSA-N 440.529 2.753 0 40 IFAB CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 19201497 HLGZUBWHWHNEGW-UHFFFAOYSA-N 444.586 2.985 0 40 IFAB Cc1cccc(OC[C@@H](O)CN2CCN(CC(=O)c3ccc(Br)cc3)CC2)c1 19229503 DGBXRWBJIVSWCX-FQEVSTJZSA-N 447.373 2.998 0 40 IFAB COCc1ccc(C(=O)N2CC[C@@H](C(=O)c3cnn(-c4ccc(OC)cc4)c3N)C2)cc1 19594380 JRYZHIPTODLIFW-GOSISDBHSA-N 434.496 2.955 0 40 IFAB NC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cnc(N3CCCCC3)nc2)C1 19702172 RKLIPBVITCTNIH-CQSZACIVSA-N 436.541 2.805 0 40 IFAB COc1c(CN2CCC(c3ccc(C(=O)NC4CCCC4)c(N)n3)CC2)c(C)nn1C 19765808 MLAXAQMTDLPDEZ-UHFFFAOYSA-N 426.565 2.766 0 40 IFAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC 19930784 GYWRIMIFXFUVER-HNNXBMFYSA-N 432.542 2.955 0 40 IFAB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc2c(c1)OCCO2 20528825 KOTGMAUOAZYXNC-UHFFFAOYSA-N 435.402 2.921 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C(=O)OC)cc1)S(C)(=O)=O 22252082 VJGCNYJJWUSQEY-UHFFFAOYSA-N 436.486 2.529 0 40 IFAB Cc1cc(C)c(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c(C)c1 22388579 XHZQRAKJCFIFBA-UHFFFAOYSA-N 433.549 2.866 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 26111672 GOIXYIFPQJAOGJ-UHFFFAOYSA-N 444.553 2.706 0 40 IFAB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc(Br)c1OCC 27563775 ZZXQOFCISAHRIP-CQSZACIVSA-N 438.282 2.695 0 40 IFAB CC(C)(C)c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n(-c2ccccc2)n1 31681739 HQGSHMZUNKQHOP-UHFFFAOYSA-N 438.509 2.953 0 40 IFAB COc1cccc(-c2nc(CN3CCN(CC(=O)N4CCCCC4)CC3)cs2)c1OC 32490257 XKGHEJOGISJJPG-UHFFFAOYSA-N 444.601 2.957 0 40 IFAB CC(C)Cn1c(N)c(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O 32855995 ZDJMZUBJVFVXIV-UHFFFAOYSA-N 436.843 2.817 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44851512 AVGFVSMUCPEGID-NRFANRHFSA-N 432.542 2.751 0 40 IFAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 56945127 NGAYKGZBLLJGOU-QHCPKHFHSA-N 446.551 2.884 0 40 IFAB COc1ccc(CNC(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 65183455 HSFZQDGRYYLNBH-UHFFFAOYSA-N 436.493 2.954 0 40 IFAB O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1nccs1 67255521 JNKGTZJETSSJTI-UHFFFAOYSA-N 432.918 2.932 0 40 IFAB CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCc3sccc3C2)c1 72019024 HUMTUYRCKDTVAT-UHFFFAOYSA-N 436.374 2.661 0 40 IFAB CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 72306489 BJVXXFXNQSXBGN-UHFFFAOYSA-N 447.333 2.658 0 40 IFAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 72337884 FCRIDGYCOYMMEJ-MFSJNOQSSA-N 428.577 2.573 0 40 IFAB COc1cc(CN2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)ccc1OCC(N)=O 72353449 VFFPODDFAKBHQF-GOSISDBHSA-N 448.527 2.868 0 40 IFAB CCCO[C@H]1CCCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373058 STNNVXVUQYJFFX-PMACEKPBSA-N 430.593 2.567 0 40 IFAB O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 84380038 IFSFZPNODLQRBS-UHFFFAOYSA-N 448.488 2.667 0 40 IFAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(CC2CCOCC2)CC3)C1=O 96036482 URYBJFSPBHKFKM-VWLOTQADSA-N 426.605 2.645 0 40 IFAB COc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124107 GUPGRCYCWDCWGT-ZDUSSCGKSA-N 447.421 2.940 0 40 IFAB COc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 222681603 HXOZNUAXQVNTSK-UHFFFAOYSA-N 438.918 2.931 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(C)c(C)c2)c(Cl)c1 222836717 FJRHAEOMSLGAEL-UHFFFAOYSA-N 440.949 2.923 0 40 IFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)s1 223769807 UFZDMMVGUGMJFJ-UHFFFAOYSA-N 437.547 2.704 0 40 IFAB C[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224403206 CBZYOHNOTWOKDV-SFHVURJKSA-N 432.542 2.824 0 40 IFAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccc(OC)cc1)S(C)(=O)=O 225061537 VHPHGXBDTWGGOM-INIZCTEOSA-N 449.554 2.792 0 40 IFAB Cc1ncccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257312304 UNHXOAYQYVQHID-GNKBHMEESA-N 437.584 2.818 0 40 IFAB CC[C@@H](NC(=O)Cc1ccc(Br)cc1O)c1cccc(S(N)(=O)=O)c1 501431523 AWVUZIKKRJFQQY-OAHLLOKOSA-N 427.320 2.612 0 40 IFAB COc1c(F)c(F)cc(C(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)c1F 585147596 CXTNDMUSSDVQDY-UHFFFAOYSA-N 441.431 2.576 0 40 IFAB O=C(c1ccc(F)cc1)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643557548 XRWNZVYDKIHOON-XMMPIXPASA-N 426.488 2.959 0 40 IFAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CCc2c(cccc2C(F)(F)F)C1 1260615469 UPZUOGRYFYICBT-UHFFFAOYSA-N 425.388 2.807 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(Cc1ccn(C)n1)CC2 1549166923 KNPIWBLCQOVDBF-JOCHJYFZSA-N 435.572 2.635 0 40 IFAB O=C(c1cncc(Br)c1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776007952 OUXMASJPUSCUBX-UHFFFAOYSA-N 429.196 2.747 0 40 IFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 4354447 FNDRMHMJFIHCSU-XHOYROJHSA-N 438.455 2.800 0 40 IFAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 8298709 ICVNAHZVCBTRGW-TYPHKJRUSA-N 441.551 2.596 0 40 IFAB biogenic,in-vitro O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N[C@@H]1CCC[C@@H]1Cc1ccco1 8740001 AUDRWADRXKYILE-WERVVEIQSA-N 437.540 2.695 0 40 IFAB biogenic CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2cc(S(N)(=O)=O)ccc21 8862077 HYJGCMRGJBSWLQ-NSHDSACASA-N 448.526 2.552 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(c4ccccc4)CC3)cc2C1=O 9120282 NVKQPAGKYTXEAI-UHFFFAOYSA-N 449.507 2.588 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)NCCSCc2cccs2)n1N 9124807 SPWKFZHHUIFGII-UHFFFAOYSA-N 435.600 2.871 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9378380 FHLZDUSCHZMBMH-MRXNPFEDSA-N 432.571 2.623 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NC3CCCC3)CC2=O)cc1 9486907 AZTZGWDNRPQMNQ-XXBNENTESA-N 449.551 2.834 0 40 IFAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 9496287 KHXILQTWNCIXFU-UHFFFAOYSA-N 433.464 2.895 0 40 IFAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)NC(=O)NC3CCCC3)nnc12 9616277 YPRJXVTZWDEMPU-UHFFFAOYSA-N 442.545 2.705 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 9716132 BJLQLETUCXNECK-UHFFFAOYSA-N 440.525 2.983 0 40 IFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 9741901 FQHRCTLGOYJXGZ-UUOWRZLLSA-N 433.464 2.516 0 40 IFAB O=C(CNc1cc2c(cc1Cl)OCCO2)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10940751 LGXQEHAUDKDIAJ-OAHLLOKOSA-N 436.917 2.743 0 40 IFAB COCCn1c(S[C@H]2CCCCNC2=O)nc2ccc(Br)cc2c1=O 11971863 PMDZJRYAALDLIH-AWEZNQCLSA-N 426.336 2.566 0 40 IFAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4ccnn4C)CC3)C1)c1cccn1-2 12086244 ZCADRJQQJSQUSS-DEOSSOPVSA-N 433.512 2.936 0 40 IFAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c1 12348227 IMLHCAFTCIEHKF-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 12553153 IIECIOCCTRPKRR-SFHVURJKSA-N 436.622 2.988 0 40 IFAB COc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1S(=O)(=O)N1CCOCC1 12978683 IHSJQDBUHICHRI-UHFFFAOYSA-N 433.530 2.722 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 13001493 KDEGCJYJYYNTGR-GOSISDBHSA-N 426.494 2.507 0 40 IFAB CCCN(C(=O)COc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13057318 DJFXVJZWSTVIEP-UHFFFAOYSA-N 442.903 2.643 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 13137871 BXPSSPHOYIXITE-UHFFFAOYSA-N 428.432 2.861 0 40 IFAB CCOc1ccc(N(CC(=O)NCCCc2ccccc2OCC)S(C)(=O)=O)cc1 13670921 RHQOAMWZWDJNFX-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB Cn1ncc2c(N3CCN(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)ncnc21 14328984 OLTMUBWMAAGWFD-UHFFFAOYSA-N 444.421 2.754 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 15976290 DBTYTKQFLCWXMF-UHFFFAOYSA-N 432.498 2.521 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1ccc(F)cc1)NCc1ccccc1 17179192 NDMATVHDFIPHNI-UHFFFAOYSA-N 428.489 2.562 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)N(C)CC(=O)Nc2ccc(OC)cc2)CC1=O 18002856 ZUITVNADKZFKKA-MRXNPFEDSA-N 425.485 2.544 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)C3)cc2n1 19522359 QBLJXXXIBMDGOM-ZIAGYGMSSA-N 437.466 2.883 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 19591850 KVSVMGQHFUDBFB-AREMUKBSSA-N 445.519 2.957 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 19709835 UJQSQUNNPDLDPH-IBGZPJMESA-N 431.562 2.721 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2OC)cc1Cl 20013957 DFHIRNYOSMZRMT-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 20462156 CBODKDUAHAHXQH-UHFFFAOYSA-N 434.489 2.793 0 40 IFAB NC(=O)c1c(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)sc2c1CCCC2 21548697 IJKIZZLQXXKHTQ-RMKNXTFCSA-N 438.597 2.995 0 40 IFAB Cc1ccc(-c2nnc(CSc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)o2)cc1 23172484 NVLUELVYRNVGRH-UHFFFAOYSA-N 445.570 2.668 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 23222500 HIEQBEZQEHERJJ-MRXNPFEDSA-N 445.475 2.877 0 40 IFAB CCCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1 24417588 MVMUABIMAWAUNL-UHFFFAOYSA-N 440.485 2.919 0 40 IFAB CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 30879996 YZPZQSPMXUTTEB-VABKMULXSA-N 442.604 2.505 0 40 IFAB biogenic,in-vitro Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2cc(S(N)(=O)=O)ccc21 32946770 KVWLHKQXMBUKSG-UHFFFAOYSA-N 444.460 2.970 0 40 IFAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 35316064 XTORPSQYYCTDEN-NRFANRHFSA-N 426.492 2.686 0 40 IFAB CCOc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)cc1 38486635 VGBMCTHTDJDQIM-UHFFFAOYSA-N 429.440 2.533 0 40 IFAB CS(=O)(=O)N1CC[C@H](C(=O)NCCSCc2ccccc2F)Oc2ccccc21 44909161 WRLXBLIZWHUSKL-LJQANCHMSA-N 438.546 2.792 0 40 IFAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1ccc(Cl)cc1 49550219 HRHZKUBVCARRIJ-UHFFFAOYSA-N 432.267 2.656 0 40 IFAB COc1ccc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc1 56949812 KJBGDPRHAHSJNG-UHFFFAOYSA-N 449.507 2.988 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1 57473306 ZARVDXWOIFCZMN-UHFFFAOYSA-N 449.532 2.792 0 40 IFAB O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)NCc1ccccc1 57504148 JFRWCQXZXRHSLS-UHFFFAOYSA-N 444.426 2.669 0 40 IFAB CC(=O)c1ccc(N2CCN(c3ncc(C(=O)NCc4ccccc4)c(N)n3)CC2)cc1 71772177 HBZYKGMKYMMAPL-UHFFFAOYSA-N 430.512 2.518 0 40 IFAB Cn1ccnc1[C@](O)(CCNC(=O)NCc1ccccc1CN1CCCC1)C(F)(F)F 71853565 SIESHGJJUREBPE-HXUWFJFHSA-N 439.482 2.655 0 40 IFAB CC1=C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 72320873 LEMFYBPBNROVGX-BQFCYCMXSA-N 425.512 2.902 0 40 IFAB biogenic,in-vitro COc1ncc(C2(O)CCN(C(=O)c3oc(CN4CCCCC4)cc3C)CC2)c(OC)n1 72337532 NTHPJAQLJPUQNL-UHFFFAOYSA-N 444.532 2.505 0 40 IFAB CC[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)CCn4nc(C)nc4C)CC3)cc2NC1=O 72339741 YNQYEJFMNRIPKD-IBGZPJMESA-N 439.516 2.516 0 40 IFAB CCn1ncc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)c1C 72380704 MFPCQBGIZPPLTI-GOSISDBHSA-N 434.566 2.523 0 40 IFAB CCOC(=O)c1sc(NC(=O)N2CC[S@@](=O)[C@H](C)[C@@H]2C)c(C(=O)OCC)c1C 84795573 REUNKDMUNRGHEQ-FJZFZPNASA-N 430.548 2.783 0 40 IFAB CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1 90647803 WSNWGUDQZFLDGP-QKJLQPOQSA-N 448.487 2.511 0 40 IFAB Cc1c(C(=O)OC[C@H](COc2ccc(Cl)cc2)OC(=O)c2cnn(C)c2C)cnn1C 95979710 PSTMUKWNYNDUNJ-KRWDZBQOSA-N 446.891 2.885 0 40 IFAB CC(=O)NCCN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)[C@@H](C)C(=O)OC(C)(C)C 96004667 KQWDFFDOAKYWFO-AWEZNQCLSA-N 434.924 2.834 0 40 IFAB CN1[C@H]2CCN(C(=O)NCCc3ccc(F)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145694 UNJZUWGAUUWRPS-OALUTQOASA-N 447.532 2.624 0 40 IFAB CCOc1ccc([C@@H](c2nnnn2CCOC)N2CCN(Cc3ccccc3)CC2)cc1 96299525 OGRAYXBEHBXDNY-QHCPKHFHSA-N 436.560 2.625 0 40 IFAB O=C(c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)N1CCN(C(=O)c2ccco2)CC1 100200095 JBNAIMHITWLFDJ-KDURUIRLSA-N 435.480 2.557 0 40 IFAB COc1cc(C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 101111174 KLMLPGSFVRXZFT-QGZVFWFLSA-N 437.489 2.681 0 40 IFAB CCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103389834 JXUBNYDFTNBUGI-KQTLUZQSSA-N 436.603 2.737 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1OC 222730900 SYTWFVLPCVWDQF-RXVVDRJESA-N 440.540 2.959 0 40 IFAB COc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 222844205 LNZMLYFQOJNDBB-UHFFFAOYSA-N 434.558 2.887 0 40 IFAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 224988058 HHQBQYSLUXZBJT-UHFFFAOYSA-N 437.949 2.890 0 40 IFAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)COc3ccccc3)CC2)cs1 225467306 FIFDOPZXMXBKGA-GOSISDBHSA-N 445.585 2.643 0 40 IFAB biogenic,in-vitro CCOCCCNC(=O)CCc1nc(-c2ccc(I)cc2)no1 225839933 MZXQKRASDXSAOQ-UHFFFAOYSA-N 429.258 2.817 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253564241 GHGHXLOTDDQLCQ-ZIAGYGMSSA-N 425.489 2.943 0 40 IFAB CNc1cc(C(=O)N2CCO[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)ccn1 257258028 KSBXXQYJSBSCFD-FQEVSTJZSA-N 425.464 2.821 0 40 IFAB CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(I)cc2)COS1(=O)=O 309750884 VWKWOCABOHAKGF-LBPRGKRZSA-N 439.271 2.714 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCc1cccc(F)c1 408548340 GOBVVWGEVXMUED-LICLKQGHSA-N 428.416 2.869 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 408559953 NRFKBHNWWIHFBU-QGZVFWFLSA-N 446.525 2.531 0 40 IFAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408618928 GSDMNJQMUHALQM-UHFFFAOYSA-N 432.542 2.955 0 40 IFAB Cn1cc(C(=O)N2CCC[C@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C(F)(F)F)n1 2037988402 DUHLHBHQQNVIJG-IBGZPJMESA-N 440.397 2.616 0 40 IFAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@@H](NCc3cccnc3)CS2)C1 2056225435 WNHIRQGQIMCYRP-OAHLLOKOSA-N 432.596 2.730 0 40 IFAB CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 815643 FKHWVQBEYPSTKX-IBGZPJMESA-N 445.541 2.991 0 40 IFAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 2406989 ILXXNBNMMSTRRC-QGZVFWFLSA-N 445.523 2.936 0 40 IFAB CCOc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 3007748 SERLXQVBCFNEFO-UHFFFAOYSA-N 435.480 2.720 0 40 IFAB NC(=O)c1c(NC(=O)COC(=O)Cc2ccc(Br)cc2)sc2c1CCC2 3284204 JONRMACIISMOMG-UHFFFAOYSA-N 437.315 2.823 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)no1 3366984 MJYSNFKSRCZPLQ-UHFFFAOYSA-N 433.420 2.617 0 40 IFAB COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3521176 OAWYBWCEPOHQGX-ZDUSSCGKSA-N 428.466 2.680 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1c(O)nc(O)n(-c3ccccc3Cl)c1=O)NCC2 8767867 ZSWVUCXEKNTKLS-SFHVURJKSA-N 429.860 2.549 0 40 IFAB biogenic CSc1ncc(Cl)c(C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)n1 8868129 WOGCLNGOVQLFGQ-CYBMUJFWSA-N 429.926 2.821 0 40 IFAB O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cn1nnc2ccccc2c1=O 9048264 IORMKVVMCUPZNT-UHFFFAOYSA-N 439.475 2.525 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3OC)n2C)s1 9303810 UHFVNIJSPLOEJF-UHFFFAOYSA-N 434.547 2.856 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cncc(Br)c2)c(C)c1 10864106 YQEOYCUORDCFIQ-UHFFFAOYSA-N 434.290 2.681 0 40 IFAB Cc1cc(COC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)no1 11412421 FJTOLGVCYCOSLB-UHFFFAOYSA-N 430.438 2.912 0 40 IFAB COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)c1 11697988 CQYZRYOFDRGDRC-UHFFFAOYSA-N 435.488 2.987 0 40 IFAB COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1OC 11697994 MACKJORLCYEEDW-UHFFFAOYSA-N 435.488 2.987 0 40 IFAB Nc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)s1 12529390 ZSUCVEWKFXYFPC-UHFFFAOYSA-N 447.995 2.679 0 40 IFAB Cc1[nH]c(Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc1Cc1ccccc1 12556871 PPZPFVGGYRJVDI-UHFFFAOYSA-N 430.555 2.876 0 40 IFAB CCCn1c(=O)c2ccccc2n2c(SC[C@H](O)COc3ccc(OC)cc3)nnc12 12558070 GEOQGDQORYJTLF-OAHLLOKOSA-N 440.525 2.995 0 40 IFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(SC(F)(F)F)cc3)CC2)no1 12743077 WWFGWMVNZRUAIZ-UHFFFAOYSA-N 428.436 2.991 0 40 IFAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 12924087 VAUIOQRTRUZJGD-HNNXBMFYSA-N 448.516 2.875 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1cc(C(F)(F)F)ccc1Cl 13670585 ZVQGETQUMQQINC-UHFFFAOYSA-N 441.903 2.727 0 40 IFAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)cc2C1=O 18036668 BRHOUCCXNQDCHB-IYBDPMFKSA-N 436.464 2.588 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2nc(O)cc(-c3cccnc3)n2)C1 19134422 JRVMMBRSXXXRMR-INIZCTEOSA-N 426.498 2.739 0 40 IFAB COC(C)(C)C(=O)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697711 MEPCTPMRPAZHHL-INIZCTEOSA-N 432.542 2.699 0 40 IFAB CCCN1C[C@@H](C(=O)N2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)CC1=O 19708353 QUZRRASKBWGCLG-FQEVSTJZSA-N 426.561 2.672 0 40 IFAB CCOc1cc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)ccc1OC 19921052 RIYYFFIZODBNPJ-UHFFFAOYSA-N 447.557 2.559 0 40 IFAB CN1C(=O)C[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@@H]1c1ccccc1 20427306 JOCUEBGLTXSEOI-KDOFPFPSSA-N 429.523 2.858 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2C[C@@H]1C 20448907 VZPSUTXEWPYRNY-HNNXBMFYSA-N 432.542 2.777 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 21693586 MRHKJSZLOSVLCN-KRWDZBQOSA-N 442.468 2.767 0 40 IFAB O=C1C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C(=O)N1Cc1ccccc1 22920229 ZAFLKOCXPALSCI-UHFFFAOYSA-N 442.519 2.906 0 40 IFAB CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 23043243 BUAHSZUAQUYPEJ-GOSISDBHSA-N 436.443 2.754 0 40 IFAB Cc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n3c(=O)n(C)nc23)cc1 23126231 BPZCXYHUVUWVDA-UHFFFAOYSA-N 445.523 2.767 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 24858132 UMAAUGBKXJHWCW-GHTZIAJQSA-N 442.471 2.850 0 40 IFAB Cc1nc(NC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc1-c1nccn1C 25513612 YNDJZXLLPNPHEK-HNNXBMFYSA-N 433.559 2.794 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)C(C)C)c1 27676162 FUTDVGCLRMYCNB-UYAOXDASSA-N 433.574 2.939 0 40 IFAB C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@H](C)[C@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 34887492 MBEKJHUHBKSWHB-IMSKVBIZSA-N 430.501 2.959 0 40 IFAB COc1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38848856 GJVLANVOQSGXSC-FQEVSTJZSA-N 432.542 2.836 0 40 IFAB C[C@H]1CN(Cc2ccccc2NC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H](C)O1 71941186 QTMIGRQWAODSSP-HDICACEKSA-N 426.517 2.879 0 40 IFAB Cc1ccc(C(=O)NCC(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)s1 72280437 RZCJCTMTGCQQQY-UHFFFAOYSA-N 445.976 2.822 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)C[C@@H]3C[C@@H](C(C)=O)C3(C)C)CC1)CNC2=O 72393378 DXBCRZDYAAPJJO-LPHOPBHVSA-N 428.529 2.820 0 40 IFAB Cc1cc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c(F)cc1F 89570468 RPTYDSJKIGVONT-UHFFFAOYSA-N 432.496 2.965 0 40 IFAB COC(=O)c1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C(C)C 96230927 IRMPZMWLYPVVMQ-AWEZNQCLSA-N 444.513 2.892 0 40 IFAB Cc1ccccc1-c1nc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)no1 97163907 QNVNHXBNFPKFMQ-UHFFFAOYSA-N 441.918 2.580 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1 101352868 KJLGEKYFJFYNQY-OALUTQOASA-N 441.875 2.979 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222956680 LGYUZWHFVAACFU-OAQYLSRUSA-N 445.585 2.786 0 40 IFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)cc1 223915023 YCKDXVDHYDTAGE-UHFFFAOYSA-N 442.497 2.523 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224365405 JGXLDTDCWASGHH-HXUWFJFHSA-N 449.548 2.535 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225223581 RQNREUZFJTXWSE-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)COc3ccccc3)CCN21 253398849 HRLMDTPPMZUDEV-SFHVURJKSA-N 425.504 2.652 0 40 IFAB biogenic,in-vitro CC[C@]1(C(=O)OC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 253606584 VFIODVKIYYZUET-XWQURZDVSA-N 426.444 2.606 0 40 IFAB CCCN1CCN(C(=O)C2CCNCC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257204843 AWMSXXCMISCBQQ-HSZRJFAPSA-N 434.584 2.988 0 40 IFAB CCn1ccc(NC(=O)[C@@H]2CN(C(=O)c3cccc(N4CCCCC4)c3C)CCN2C)n1 257295146 QXEMWGUKAZDPQL-NRFANRHFSA-N 438.576 2.597 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 408557660 HCGKLXWHKUXLJK-OAHLLOKOSA-N 432.498 2.853 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1 408655390 CTWDJEGXNIZNQF-XMFZQDBWSA-N 444.487 2.587 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 408672710 ZPFGNKZEJIVGSO-PMACEKPBSA-N 434.448 2.946 0 40 IFAB COc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1F 408694402 FTRPAIKEDKPZGD-UHFFFAOYSA-N 428.507 2.810 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 409164775 NSLJEKCQBPTWCI-SJLPKXTDSA-N 429.590 2.944 0 40 IFAB C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1nc(COc2ccccc2)n[nH]1 502179169 TYWVWAFSGNGXGY-HNNXBMFYSA-N 436.520 2.919 0 40 IFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccncc1 524733761 NPRHRJCZSJZSEB-HSZRJFAPSA-N 426.476 2.945 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1C 585176628 GRWCZWLWEXJXII-UHFFFAOYSA-N 439.541 3.501 0 40 IFAB C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 1635824793 MVPDITDYPQTFMV-LFVRLGFBSA-N 442.466 2.760 0 40 IFAB COc1ccc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1 2056226336 PKZYTYLEQQQCQL-GGAORHGYSA-N 432.467 2.650 0 40 IFAB CCN(CC)CCn1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2cc(OC)c(OC)cc21 638584 ZCEBPUVYUBHDSP-UHFFFAOYSA-N 441.528 2.579 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 686827 YBKVQRKWBDAGAY-UHFFFAOYSA-N 433.549 2.720 0 40 IFAB O=C(Nc1cc(N2CCOCC2)ncn1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 958994 LTDAZLUZQYJTMB-KRWDZBQOSA-N 445.785 2.776 0 40 IFAB Cc1ccccc1NC(=O)C1(N(C(=O)Cn2nnnc2N)c2ccccc2)CCCCC1 1070381 SLCQGGMNMPMILG-UHFFFAOYSA-N 433.516 2.939 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccccc1OC 1085332 PEBHRDUDLKKOOT-PHJXOXRPSA-N 434.517 2.807 0 40 IFAB COc1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(C(C)(C)C)n4)CO[C@H]23)c1 5434036 AQTVGSPKNLKEJY-QFHJOOASSA-N 428.489 2.978 0 40 IFAB biogenic,in-vitro C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 8878137 ODIVOGBZXBNPLY-YECGVZOESA-N 446.503 2.839 0 40 IFAB biogenic CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 9140452 NJGLRGGNTIXLDN-NRFANRHFSA-N 440.452 2.694 0 40 IFAB CN(C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)[C@H]1CCS(=O)(=O)C1 9200463 GXVZUZMDZSNQIS-VQFGERMISA-N 425.510 2.572 0 40 IFAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 9290105 ABXHHDUKOVHHKU-LBPRGKRZSA-N 445.574 2.816 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCc1ccccc1 9335137 ZXGODAVRCVHHID-UHFFFAOYSA-N 435.457 2.537 0 40 IFAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9462753 FQVXJUPZAGDTDC-MKXGPGLRSA-N 438.846 2.832 0 40 IFAB COCCCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(Cl)cc1 9481333 XTHUSRLACWYGDZ-AWEZNQCLSA-N 425.942 2.947 0 40 IFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9729801 RQVMGVWUYLKXSI-UYAOXDASSA-N 425.916 2.631 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 10301423 KLFXSLDOTPHIOM-UHFFFAOYSA-N 449.548 2.502 0 40 IFAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCS(=O)(=O)C1)oc1ccccc12 10994539 BJLYEQTZCPIQEJ-QWHCGFSZSA-N 431.466 2.900 0 40 IFAB NC(=O)c1nc(-c2cccc(Br)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 12080829 BOVBHHMSXBSALC-UHFFFAOYSA-N 428.221 2.776 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)n(N)c2=O)cc1 12347734 ZODSRLVCRUIIHS-UHFFFAOYSA-N 445.932 2.726 0 40 IFAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1-c1cccc(O)c1 12575004 WEOPQJBHGCLMOK-JXMROGBWSA-N 427.464 2.866 0 40 IFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccccc1OC(F)(F)F 12744782 KNDWLVHZCCRIPV-UHFFFAOYSA-N 435.402 2.758 0 40 IFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1Br 12756458 DPYMDUVMXWDSKS-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12772597 HVGUTRZSAYWDSM-LJQANCHMSA-N 430.526 2.527 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3sc4ncn(C)c(=O)c4c3C)ccc21 12810980 FZCYAQISMDAOKZ-LBPRGKRZSA-N 439.493 2.641 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 12823957 NLCBQBSHVKOXDM-UHFFFAOYSA-N 442.516 2.510 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)c(C)c1 12973181 RZFDFQWVFUHMJU-HXUWFJFHSA-N 428.554 2.696 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 14136795 MTWATUVKNNGBBA-QFIPXVFZSA-N 438.509 2.597 0 40 IFAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 15203102 FMEBXZUJKWEGEN-CQSZACIVSA-N 442.497 2.502 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 15359034 GVEZSJIBVCWWQU-NSHDSACASA-N 448.360 2.901 0 40 IFAB COc1ccc(N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 16953803 MEPVHHRFAYPHTR-MRXNPFEDSA-N 433.482 2.679 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)n(-c2cccc(OC)c2)c(=O)[nH]c1=O 17029340 RTMOVKJWIXZJHU-OAQYLSRUSA-N 432.480 2.689 0 40 IFAB biogenic C[C@H](C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12)N1C(=O)c2ccccc2C1=O 18948187 AEKJAQSJZMIMMA-CQSZACIVSA-N 447.447 2.528 0 40 IFAB COc1cc(C)ccc1CN1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19133887 NJYDQXKRYYWSNB-LJQANCHMSA-N 436.556 2.761 0 40 IFAB O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N(Cc1cccnc1)C1CC1 19338539 BVGWMHUZTGWGHB-UHFFFAOYSA-N 435.572 2.735 0 40 IFAB COc1ccc(CC(=O)N2CC[C@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)cc1OC 19560333 GWOGETSTEYJWQY-KRWDZBQOSA-N 434.496 2.746 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)ncc1C(=O)NCc1ccc(F)cc1 19765452 NHNMIBJBBIOUFU-KRWDZBQOSA-N 436.491 2.607 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1 21894670 SUCOJOKADABAIM-UHFFFAOYSA-N 435.477 2.541 0 40 IFAB Cc1csc(=O)n1CCCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 24143977 GMRNETANPHGGOC-UHFFFAOYSA-N 431.514 2.604 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 29660655 PMWHALREHYCKCG-SFHVURJKSA-N 437.309 2.786 0 40 IFAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN(CC(=O)NCC(C)C)CC2)c1Cl 36014848 HUUFACBIDJOQKE-UHFFFAOYSA-N 436.405 2.689 0 40 IFAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@]2(O)c2cccc(F)c2)C1 36719127 DKKXFFQNPBTVFF-CRFBAAHOSA-N 427.929 2.829 0 40 IFAB CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 39986014 ZOGBMTVYCJZWSK-FMIVXFBMSA-N 427.570 2.555 0 40 IFAB O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120949 RNGXSEYNFNSCDE-KRWDZBQOSA-N 443.429 2.951 0 40 IFAB CCCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 40161274 HUZLRGKDFFWQNA-UHFFFAOYSA-N 448.545 2.864 0 40 IFAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)C1 40388919 WSLDIETXOUPJIC-JQWIXIFHSA-N 433.871 2.863 0 40 IFAB CCn1nc(-c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c2c(c1=O)CCCC2 46027877 TVLRKXIWAOJNMX-UHFFFAOYSA-N 431.558 2.992 0 40 IFAB Cc1cc(C)n(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)c2)n1 48299773 YYJICHKRLQLCIF-UHFFFAOYSA-N 439.541 2.924 0 40 IFAB CCCc1noc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccccc32)n1 49402597 WGTDENVXKDVZOY-UHFFFAOYSA-N 431.518 2.532 0 40 IFAB O=C1N[C@H](C(=O)Nc2cccc(N3CCOC3=O)c2)CS[C@H]1Cc1ccccc1F 58403072 XZJCJEVZFAEKST-ROUUACIJSA-N 429.473 2.564 0 40 IFAB COCc1cc(N2CCOCC2)nc(C2=CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)n1 72339630 VMOCFJVKWGWINC-NRFANRHFSA-N 444.963 2.936 0 40 IFAB CCN1CCN(C(=O)Cn2nc(C)nc2C)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 72351774 GCFDTKYSDXKPPQ-FQEVSTJZSA-N 437.569 2.925 0 40 IFAB COc1ccc(C[C@H](CO)CNC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O 79076275 WTHCCQFLARPOFU-AEFFLSMTSA-N 442.556 2.784 0 40 IFAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)c(OC)c1OC 95477263 GRGNXJIERVAKLS-SFHVURJKSA-N 435.502 2.978 0 40 IFAB Cc1ccc(CN2C[C@@H]3[C@H](C2)c2nc(N4CCC[C@H](C)C4)ncc2CS3(=O)=O)cc1 96251971 RMRVTUMGJRUGPY-DZFGPLHGSA-N 426.586 2.918 0 40 IFAB COc1ccccc1CCNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O 101702099 ACGJIOXDVNEOSF-UHFFFAOYSA-N 425.916 2.926 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O)N1CCCCC1 106765851 VIVMIUQWFVZEJA-FLIBITNWSA-N 446.266 2.933 0 40 IFAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)C1 108174576 AFJRDKZSKWDLSA-VOBQZIQPSA-N 428.485 2.951 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220241056 FCPKDHMUQGELJA-CABCVRRESA-N 436.530 2.744 0 40 IFAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c2ccccc12 222631320 UMUJDNVWGTWIMC-CQSZACIVSA-N 430.482 2.931 0 40 IFAB CC(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 223799416 GRMWSFVLLQNTAF-UHFFFAOYSA-N 432.542 2.640 0 40 IFAB CCCN(CC(=O)NN1C(=O)N[C@](C)(CC)C1=O)[C@H](C)c1ccccc1Br 245224681 BIZRHAWLQIZJST-BFUOFWGJSA-N 439.354 2.974 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)Nc2nnc(SCC)s2)S(C)(=O)=O)cc1 260808263 IATLGGLEUDMGLT-LLVKDONJSA-N 430.577 2.842 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408660250 NFIOZBKXAZAWSE-CQSZACIVSA-N 430.844 2.661 0 40 IFAB Cn1cc(-n2cc(C(=O)Nc3cccc(NC(=O)CN4CCCCCC4)c3)ccc2=O)cn1 546892506 OKSUQDKYZFWJSY-UHFFFAOYSA-N 448.527 2.638 0 40 IFAB COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2F)C1 585286758 IKVPBUCZTAXSRI-HSZRJFAPSA-N 440.531 2.834 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)Nc1cncc(C)c1)C2 643575696 MGUCGHIFFQVYKQ-UHFFFAOYSA-N 440.544 2.908 0 40 IFAB COc1cncc(S(=O)(=O)NC[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 1655295175 HILIIRFJHLZAFG-LJQANCHMSA-N 433.530 2.903 0 40 IFAB Cc1nc(N(C)C)ncc1C(=O)N1CCNC(=O)[C@H]1Cc1cccc(-c2cccc(F)c2)c1 1848351773 NBKHOZKPCBYTPV-JOCHJYFZSA-N 447.514 2.840 0 40 IFAB Cc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)nc1O 855555 OSFXKZKRXAYDIM-UHFFFAOYSA-N 435.101 2.536 0 40 IFAB O[C@H](CCOc1ccccc1)CNCCCCCCNC[C@@H](O)COc1ccccc1 4686167 QRQXKWQQPIBTQJ-DHIUTWEWSA-N 430.589 2.996 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c(C)nn3c(=O)[nH]2)cc1 9107501 YPUGRMMMFLVJFS-UHFFFAOYSA-N 449.492 2.910 0 40 IFAB COc1ccccc1CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 9224226 YUZHBINADRLTSY-UHFFFAOYSA-N 445.585 2.908 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 9447831 VQESOOXGLVTEOS-CYBMUJFWSA-N 438.553 2.955 0 40 IFAB Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1Br 9466527 GSOAEBXRUFXAKV-UHFFFAOYSA-N 433.349 2.809 0 40 IFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C 9499166 UKQDECMYRCCWEW-HNNXBMFYSA-N 446.463 2.510 0 40 IFAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4Cc3ccccc3)n(C)c2=O)c1 9519114 GAEKKJAEIQMOTM-SFHVURJKSA-N 429.524 2.910 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 9663381 JNBFAKBCQPVQSZ-RUZDIDTESA-N 431.492 2.952 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 10317738 CXENGNJNFXGRIQ-UHFFFAOYSA-N 438.889 2.644 0 40 IFAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccc(N2CCOCC2)nc1 11128142 DJALFWKUNGGLLL-UHFFFAOYSA-N 444.944 2.833 0 40 IFAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12630032 IXSIWKYVSCWDQE-UHFFFAOYSA-N 432.452 2.502 0 40 IFAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 12692577 KVAPTMPALFFXED-HZPDHXFCSA-N 425.437 2.994 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 12782525 IXABMIURZOTHOH-MRXNPFEDSA-N 427.892 2.725 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)cc1 12788816 XYUVLOFRQKPPJV-UXHICEINSA-N 429.586 2.957 0 40 IFAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)cc1 12894150 UHQGAHOMMGNWMW-FVLCUVFVSA-N 436.464 2.638 0 40 IFAB CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 13038153 HGKFYKYKHJIKDW-LBPRGKRZSA-N 441.903 2.580 0 40 IFAB NC(=O)c1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)C3CCCCC3)n2)cc1 13164319 MFKLTYOJYJPGMD-UHFFFAOYSA-N 436.491 2.940 0 40 IFAB Cc1ccc(CNC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 13572140 BCDZZOXJYHVSSS-ZWKOTPCHSA-N 427.595 2.910 0 40 IFAB Cc1ccc(C)c(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 13679075 HQVYEFVZLABGKS-GOSISDBHSA-N 433.549 2.946 0 40 IFAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1OC 15858442 HOBDVBCTAHQMLB-LLVKDONJSA-N 438.889 2.922 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 17795926 VQCBUEXUIVNXOO-UHFFFAOYSA-N 431.418 2.618 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1C(F)(F)F 18151471 RSDSJYTXOUGHJZ-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB CCN1CCN([C@@H](c2cc3c(C)ccc(C)c3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527910 VDPCWZLSNJILII-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB CCOc1ccccc1CNC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 20046667 BAQZIEDGHGTMMX-UHFFFAOYSA-N 426.922 2.830 0 40 IFAB O=C(COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCc1ccco1 21971255 KISYJVGBKAEWHH-UHFFFAOYSA-N 446.456 2.622 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1Cl 22767206 NDHUENAZWBFPQD-QGZVFWFLSA-N 429.995 2.677 0 40 IFAB CC(C)(CNC(=O)CSc1nc(C(F)(F)F)nc2ccccc12)N1CCOCC1 23080937 ANJHPNDOGNPAGV-UHFFFAOYSA-N 428.480 2.968 0 40 IFAB NC(=O)c1cc(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)s2)cc(C(N)=O)c1 24091101 IICQXICVCASGBN-UHFFFAOYSA-N 441.440 2.548 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 27550999 VGURFPNLANBKEQ-UHFFFAOYSA-N 445.928 2.926 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc1 28207988 UCVWXRLZEMHXJY-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB COC(=O)CCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F 31808079 CFUQZSBVSMZTJF-MRXNPFEDSA-N 425.258 2.532 0 40 IFAB CN1C(=O)C(=O)N(CN2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)C1=O 32770223 OUEKLXLZPAHOCF-UHFFFAOYSA-N 432.933 2.564 0 40 IFAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)c1 35485615 MNUZQXZGLGFDJP-ZGXDEKTJSA-N 443.503 2.822 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38754272 UFBDSCIHGKYOSQ-APWZRJJASA-N 443.997 2.638 0 40 IFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 48237851 WHFVPXVFVRFMRF-QGZVFWFLSA-N 440.523 2.998 0 40 IFAB O=c1c(Cl)c(N2CCN(Cn3c(=O)oc4ccccc43)CC2)cnn1-c1ccccc1 57292120 VWWXISIZTRTZRN-UHFFFAOYSA-N 437.887 2.574 0 40 IFAB O=c1c(Cl)c(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)cnn1-c1ccccc1 57473808 LLCWEEQMDZTWEH-GOSISDBHSA-N 438.915 2.848 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1c(C)nn2c(C)cc(C)nc12)c1ccc(OC)c(OC)c1 59364779 DNGLIYRWMKYKGM-MRXNPFEDSA-N 426.473 2.706 0 40 IFAB CCn1c(SCC(=O)Nc2cccnc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 72191592 QIPHIBAWXRPJIK-AWEZNQCLSA-N 440.529 2.923 0 40 IFAB CCOCCCNC(=O)CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCCN12 72342663 XFWPEHQBWMINPL-UHFFFAOYSA-N 433.984 2.553 0 40 IFAB O=C(CN1CC(c2nc(-c3cccc(Cl)c3)no2)C1)NCc1ccc2c(c1)OCO2 77190912 DSMVMNZQZHQBJG-UHFFFAOYSA-N 426.860 2.834 0 40 IFAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1COc2ccccc2O1 89326618 WPWPZBXNOGFRDU-OAQYLSRUSA-N 445.541 2.706 0 40 IFAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1 96263062 DCLDDMNIDCPFMC-SFHVURJKSA-N 429.496 2.716 0 40 IFAB COC(=O)Cn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(OC)ccc21 100876971 XLPOQHMWICJKLJ-DQRAZIAOSA-N 446.481 2.651 0 40 IFAB Cc1ccc2c(c1)[C@H](NC(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2 219670620 AYYMDTFVUULMOR-QGZVFWFLSA-N 428.510 2.948 0 40 IFAB CCOc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 223227040 RMCPSMCURXHUCN-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB COc1ccc(-c2nnc(NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)s2)cc1 223252241 XPPMADKKNCGEEL-UHFFFAOYSA-N 448.526 2.627 0 40 IFAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224321682 FXXYGEPFVMYFIW-SFHVURJKSA-N 432.542 2.742 0 40 IFAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225029512 JQYBBIWEIFBQPC-UHFFFAOYSA-N 439.946 2.967 0 40 IFAB CN1CCN(C(=O)C[C@H]2CN(C(=O)Cc3ccccc3)CC[C@@H]2Oc2ccccc2)CC1 257265965 MBBDMXBYYFCPIP-UPVQGACJSA-N 435.568 2.689 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)NC(C)C 408700785 LUTJYGKOSULIJY-UHFFFAOYSA-N 449.548 2.874 0 40 IFAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 554031668 LBQYZOJTAYSHFJ-QZTJIDSGSA-N 439.478 2.936 0 40 IFAB Cc1nnc(-c2cccc(-c3nc(CC(=O)Nc4ccc(C(=O)N(C)C)cc4)no3)c2)o1 555999799 YFXVUZSFBSTVHC-UHFFFAOYSA-N 432.440 2.978 0 40 IFAB O=C(C[C@@H]1OC[C@H]2CN(c3cc(C(F)(F)F)ncn3)CC[C@@H]12)NCCC1CCOCC1 585109327 IZDNJJAKWLXXME-ZACQAIPSSA-N 442.482 2.660 0 40 IFAB COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c(OC)c1OC 1888901175 KGMWZEBNWFQCGB-HZPDHXFCSA-N 438.528 2.508 0 40 IFAB COc1cccc(CCN2C[C@@]34CN(CC5CCCCC5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 2055785134 KNPOCKSVLJIICD-VJBWXMMDSA-N 434.602 2.675 0 40 IFAB O=C(NC1CCCC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2cc(C3CC3)on2)C1 2055785336 UFHPKVRKLVSMMQ-HSZRJFAPSA-N 438.532 2.685 0 40 IFAB CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1ccccc1OC 2724037 YCBNVQYBHWCPRU-UHFFFAOYSA-N 432.527 2.923 0 40 IFAB COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccc5c(c4)OCO5)nn23)cc1 9415203 OSENRXSVTWENRL-UHFFFAOYSA-N 449.492 2.937 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@H]1c1ccccc1 9630387 LYWNBSVTOPLWCN-SFHVURJKSA-N 425.441 2.508 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2)c1 9749340 CMIOWIUWUIPZJF-HXUWFJFHSA-N 443.569 2.992 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2NC(=O)c2ccccc2)NC(=O)N[C@H]1C 9948937 IUMDENTUTNWYKO-AWEZNQCLSA-N 437.452 2.614 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCc2ccccc2C1 10704946 OQQZUPDDTNVMIK-UHFFFAOYSA-N 443.352 2.877 0 40 IFAB COc1cccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)c1 10756659 IHBBSRIWNFIVAH-CQSZACIVSA-N 448.526 2.846 0 40 IFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 11361931 WPIHZBGALOBBMI-UHFFFAOYSA-N 446.467 2.862 0 40 IFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc21 11612446 ZDRPNFIHFPRSBN-UHFFFAOYSA-N 438.571 2.782 0 40 IFAB COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccccc3F)CC2)c(OC)c1 11695777 VYUGHQXNHPNSPW-UHFFFAOYSA-N 439.491 2.789 0 40 IFAB Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 11706297 HCORXMZCLSIIRS-UHFFFAOYSA-N 429.955 2.672 0 40 IFAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1ccccc1Br 12201445 XPYNFLQIIMEKNQ-UHFFFAOYSA-N 439.287 2.912 0 40 IFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 12522416 VYICMUAFZANGDF-UHFFFAOYSA-N 446.508 2.649 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 12569846 CDCQKASYZALFRI-FQEVSTJZSA-N 448.541 2.584 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)CC1 13704761 LPNQMZSJKDMFCC-UHFFFAOYSA-N 433.511 2.527 0 40 IFAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC 13953589 LYULJJFQIJGMKO-UHFFFAOYSA-N 442.497 2.784 0 40 IFAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)N1CCN(c2ccc(F)cc2)CC1 14001275 NBIDDCNWFHPPIZ-UHFFFAOYSA-N 437.450 2.895 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)CN1C(=O)C(=O)N(CCC2(Cl)CCCCC2)C1=O 14241732 ZQVNSMQOWFTKRG-UHFFFAOYSA-N 449.935 2.970 0 40 IFAB O=C(Nn1cnc2ccccc2c1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 14604835 OCEITTYTJSRMLX-UHFFFAOYSA-N 446.488 2.532 0 40 IFAB O=C(NCc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15584129 TVOIXFJXAQDKRT-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB O=C(OCc1cc(-c2ccccc2F)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 16838651 FPSIQIRIKGMREU-UHFFFAOYSA-N 446.456 2.859 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)C[C@H](C)NC(=O)c3ccccc3)CC2)c1C 17603094 HPKBFUFJFQANII-IBGZPJMESA-N 436.556 2.595 0 40 IFAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2nnnn2-c2ccccc2)cc1OC 18253279 JVUONPKJQMEAPF-UHFFFAOYSA-N 449.423 2.882 0 40 IFAB Cc1ncsc1C(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694770 CTQYLBUPWLIXJM-MRXNPFEDSA-N 436.541 2.703 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(F)cc2)s1 20486665 LLZAHFLIWCIHHM-UHFFFAOYSA-N 436.490 2.910 0 40 IFAB O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccccc2)c2ccccc21)NCc1ccco1 20573832 YWDHCJITRWSVGQ-HSZRJFAPSA-N 433.489 2.875 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cncc(Br)c1 21330920 AWZZUKUTTLOFJM-CYBMUJFWSA-N 434.290 2.761 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228990 VJHSAQGZJIBMRA-UHFFFAOYSA-N 449.960 2.730 0 40 IFAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C)n1C 34878970 AUUSKASCXPKHGB-UHFFFAOYSA-N 443.491 2.850 0 40 IFAB COc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 35396706 JLJRFBJXBVEYSE-UHFFFAOYSA-N 426.494 2.945 0 40 IFAB CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1cccs1 39975748 KIFFLYZFZQBESG-INIZCTEOSA-N 436.555 2.894 0 40 IFAB CCOC(=O)CN(CCOC)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 40139175 PFPLHUZAFDHPHZ-CSKARUKUSA-N 446.500 2.930 0 40 IFAB CN(CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(Cl)cn1 40149041 LWULUWDPBIBGGG-UHFFFAOYSA-N 436.343 2.608 0 40 IFAB CCOc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cc1 44857298 SQCHPOMWVRYNLX-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)NCc1ccc(F)cc1 57490515 HYGDUIJHQHJNGL-UHFFFAOYSA-N 427.432 2.809 0 40 IFAB Cc1oc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1S(=O)(=O)N1CCCC1 57995194 WQQDNJUFGABWNO-UHFFFAOYSA-N 448.541 2.895 0 40 IFAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 70040685 VHNSWJIGDOKKCD-SFHVURJKSA-N 443.525 2.568 0 40 IFAB COc1ccc2nc(CN3CCc4c(O)nc(N5C[C@H](C)O[C@@H](C)C5)nc4C3)ccc2c1 72335595 MNYOAYLEVBYXGA-HOTGVXAUSA-N 435.528 2.911 0 40 IFAB O=C(C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1)N1CCN(c2ncccn2)CC1 77191808 NAMVBNGMVSAQSS-UHFFFAOYSA-N 448.474 2.890 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)CSc3nc4ccccc4s3)n2)n1 77196921 BJHVGGFSBJILHM-UHFFFAOYSA-N 440.554 2.564 0 40 IFAB Cc1c(C(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)cnn1-c1ccccn1 95462402 GCFYGRSHRJWJST-KRWDZBQOSA-N 428.290 2.637 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)cc2n1 100146808 QBFXQGWQBDSWOT-SFHVURJKSA-N 443.529 2.736 0 40 IFAB Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1Cl 103332531 NGAQCJFKGIFDTB-SDDRHHMPSA-N 442.299 2.742 0 40 IFAB CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 106530214 QCYAKHFZJSIUPG-ZHALLVOQSA-N 441.544 2.706 0 40 IFAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 222749585 QPOMDCDEILOCQH-QGZVFWFLSA-N 444.553 2.992 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4cccs4)no3)ccc21 224285857 RNBASWHLJVQKMZ-UHFFFAOYSA-N 432.527 2.918 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 224485675 QSSJYOPAOBSDLV-OAQYLSRUSA-N 432.542 2.670 0 40 IFAB CN(CCCC(=O)NCc1cccc(CN2CCCC2)c1)S(=O)(=O)c1ccccc1 224627936 QQBMVXVZJYWVJX-UHFFFAOYSA-N 429.586 3.000 0 40 IFAB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953596 KBGOIUPEBBIOPA-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 257224265 FBAKETKYNMDOLQ-UHFFFAOYSA-N 442.946 2.697 0 40 IFAB O=C(O)CC1(CC(=O)NC[C@@]2(O)CCCN(c3ccnc4cccnc34)C2)CCCC1 257290355 QCQCHTRELSXQFC-QHCPKHFHSA-N 426.517 2.503 0 40 IFAB COCCN1CC[C@]2(CN(Cc3cccc(OC)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306139814 UBKDJCLRXSRJOU-ZJSXRUAMSA-N 426.561 2.937 0 40 IFAB Cc1ccc(C(=O)COC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)cc1 408529205 GKIZRTQABUPCQF-UHFFFAOYSA-N 425.466 2.934 0 40 IFAB CCOCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 408547930 OPXLCOKIZYLPAW-UHFFFAOYSA-N 438.521 2.963 0 40 IFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 408610078 UWEHSQBCBJRUHJ-KRWDZBQOSA-N 449.548 2.629 0 40 IFAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060821 YHPLATNDTXUUSM-NGTVUAHZSA-O 436.438 2.990 0 40 IFAB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ncccn3)n2C)C(C)C)c1 409157827 WAIWCRQNHKJHHN-KRWDZBQOSA-N 439.545 2.771 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 409204990 MWJMRYYMCFKXJC-UHFFFAOYSA-N 440.521 2.869 0 40 IFAB CSCC[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)n1c(O)nc2ccccc2c1=O 524735724 UPYPEIPDSFDZRC-SFHVURJKSA-N 437.525 2.632 0 40 IFAB COc1cc(C(=O)OCC(=O)NCc2ccccc2)c(Br)c(OC)c1OC 954983 HNFLTJZSDMSNMV-UHFFFAOYSA-N 438.274 2.948 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccc(Cl)cc3)n2Cc2ccc(F)cc2)n(C)c1=O 8774837 FVJRZDXITRSVHN-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB O=C(C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1)N1CCN(c2ccccc2)CC1 8991321 HGCMLMCFIBBKLH-UHFFFAOYSA-N 425.924 2.572 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 9096870 ONDWPIPBKAUWQV-UHFFFAOYSA-N 430.526 2.927 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 9191143 AQJCTRTWXJMJNG-KRWDZBQOSA-N 429.542 2.983 0 40 IFAB Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N(C)Cc1ccco1 9366522 ITWYBDSJDKZHBJ-UHFFFAOYSA-N 428.514 2.503 0 40 IFAB CCOC(=O)c1sc2c(c1C)c(=O)n(-c1cccc(Cl)c1)c(=O)n2CCN(C)C 9435760 QPHOFCDRWTXORL-UHFFFAOYSA-N 435.933 2.914 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 9452143 OCXWVYMCAVPLDJ-SGXKBVARSA-N 435.524 2.747 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3C)cc2)CC1 9671125 WVODNNOGZCJSMK-UHFFFAOYSA-N 444.601 2.752 0 40 IFAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)c12 9899647 NTUWMUQWRBGZPM-UHFFFAOYSA-N 440.481 2.972 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 10286672 AOLMZXACRDXAFE-UHFFFAOYSA-N 431.539 2.589 0 40 IFAB O=C(COC(=O)c1sccc1S(=O)(=O)N1CCCCC1)NCC1CCCCC1 10569544 VFGNKEIMHULUHL-UHFFFAOYSA-N 428.576 2.776 0 40 IFAB COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)cc1 12072203 LHOOLCYVPHHNJC-UHFFFAOYSA-N 445.523 2.707 0 40 IFAB COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1OC 12143383 YJCRAKIDWKEKCX-HSZRJFAPSA-N 440.519 2.980 0 40 IFAB COc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1S(=O)(=O)N1CCOCC1 12886545 SQMDAMGECQULSA-UHFFFAOYSA-N 448.541 2.972 0 40 IFAB COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F 12982025 ZVVLVAPDIQHAKQ-SJORKVTESA-N 446.410 2.814 0 40 IFAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 13004196 AAJSFKZIPJPULW-VQTJNVASSA-N 442.537 2.805 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 13085042 RDHGTPHDVQYAJW-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 13625008 JILUMUKGSFOFQH-LJQANCHMSA-N 441.553 2.531 0 40 IFAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 13692574 HONHMLFQBHZDMO-UYAOXDASSA-N 446.551 2.884 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 14135709 DGGLZCNIBDJJFP-UHFFFAOYSA-N 425.304 2.911 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)N(Cc3ccccc3)Cc3ccco3)C2=O)cc1 14184791 OTFYEYFTOGVWQN-UHFFFAOYSA-N 447.447 2.812 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 14240435 WKFXKUJMNHNPAM-CYBMUJFWSA-N 441.509 2.583 0 40 IFAB COc1cccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 16751891 QBAQAFGVMQVYKL-QGZVFWFLSA-N 449.525 2.551 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)o1 19756972 XUFSNNHEUOMDDQ-UHFFFAOYSA-N 426.502 2.885 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(Cl)cc1 20637094 MOVQWURCHKZERE-PMACEKPBSA-N 440.931 2.868 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc(C)c1 20801462 RTQZSXIMYZPWRP-NHCUHLMSSA-N 438.503 2.663 0 40 IFAB O=C(Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O)NCCc1ccccc1 23126062 QCBAKUDRMRZPOR-UHFFFAOYSA-N 425.286 2.999 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)N2CCOCC2)cc1 23817897 LIJOTVDXJDJYMU-QHCPKHFHSA-N 437.540 2.621 0 40 IFAB COc1ccc(CN(C(=O)COC(=O)c2nn(-c3ccccc3)c(C)cc2=O)C2CC2)cc1 24106277 JIUHGTFTAGJGBZ-UHFFFAOYSA-N 447.491 2.898 0 40 IFAB CCc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 24722238 ORUYOGOUVICJFN-GOSISDBHSA-N 436.464 2.820 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCc1ccc2c(c1)OCCO2 24975042 OMJJLGIHPBEBCS-UHFFFAOYSA-N 434.290 2.967 0 40 IFAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H](Cc1ccccc1)n1cnnn1 25829565 ULYDESHBMYSVBA-HNNXBMFYSA-N 439.829 2.752 0 40 IFAB Cc1cc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 27545989 GONPXEHEJFNJLG-UHFFFAOYSA-N 425.533 2.830 0 40 IFAB CC(C)c1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)cc1 32615391 YHXLWLPZRBZSKG-UHFFFAOYSA-N 429.480 2.715 0 40 IFAB CC(C)(C)c1cccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 32745210 WLRARMQDWFKIOQ-UHFFFAOYSA-N 446.569 2.700 0 40 IFAB O=C(NCCSCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 32747901 DFFLXXJSBDORHI-OAHLLOKOSA-N 426.535 2.869 0 40 IFAB O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1 32776707 ODRWFKFATDFJFX-UHFFFAOYSA-N 447.505 2.961 0 40 IFAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(OC)c1 32848059 KYRPFYYSDMHLJK-NRFANRHFSA-N 431.558 2.941 0 40 IFAB CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 32906352 BLPGGQLFYGDAGL-ZDUSSCGKSA-N 438.322 2.539 0 40 IFAB CNS(=O)(=O)c1cc(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)ccc1C 32907945 ONYBQJGCTSOEKL-UHFFFAOYSA-N 444.557 2.654 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)c2ccccc2C1=O 34878958 CBIUMCNXKYONIF-FHLIZLRMSA-N 432.542 2.642 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2O1 35349184 IPNYQXIGGNRGBN-UHFFFAOYSA-N 441.503 2.701 0 40 IFAB Cc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)NC2=O)c1 35432566 GXMZCZTYJVHXIJ-UHFFFAOYSA-N 435.908 2.887 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1OC 51316975 NDWAKLHYSOGVNF-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318390 USRGQTMHQFPJDN-JOCHJYFZSA-N 438.503 2.737 0 40 IFAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1 67235359 LZHDTRZCGDJABY-UHFFFAOYSA-N 430.464 2.547 0 40 IFAB O=C(Nc1ccc2ccccc2n1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 69968664 RSDJKQUAXFPDRV-SFHVURJKSA-N 439.493 2.798 0 40 IFAB Cc1nc(C2CCN(C(=O)C[C@H](C)n3ccnc3C)CC2)nc(N2CCOCC2)c1C 72337210 VLNXSCPFDYZGKA-INIZCTEOSA-N 426.565 2.792 0 40 IFAB Cn1cc(-c2cc(C(=O)N3CCC[C@@H](c4ncc(Cl)cc4S(C)(=O)=O)C3)on2)cn1 72394244 WIFLZMZLELCELY-GFCCVEGCSA-N 449.920 2.547 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(Nc2ccccn2)nc(C)n1 77101397 OTGBYQMWWIMCBF-UHFFFAOYSA-N 428.518 2.631 0 40 IFAB Cc1ccc(-c2nn(Cc3ccccc3)cc2CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1C 95997216 MUKSKHQIQPVCJG-QFIPXVFZSA-N 429.524 2.951 0 40 IFAB COCCN1CC2(CCN(Cc3ccccc3)CC2)COc2ccccc2S1(=O)=O 96263524 GHBNUFBDCAFUTC-UHFFFAOYSA-N 430.570 2.999 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C(=O)N1c1ccccc1F 106536443 JKBMCKGAWQMYHU-FSBGXSNOSA-N 425.847 2.910 0 40 IFAB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@@H]1O[C@@]13[C@@]21C=C[C@]2(C[C@@H](O)CC[C@@]23C)[C@H](C(=O)O)[C@@H]1C(=O)O 118936447 CPYNMESYXQPXTD-WUIITAQQSA-N 444.524 2.658 0 40 IFAB COc1ccc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c(OC)c1 220208149 HQQSFLUNRSLULT-ZDUSSCGKSA-N 438.502 2.514 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 223064887 RWGRIAADLRVALB-FUHWJXTLSA-N 432.542 2.982 0 40 IFAB CCOc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 223663969 FTNKELZXPMNBOQ-UHFFFAOYSA-N 426.564 2.833 0 40 IFAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1S(=O)(=O)N1CCOCC1 223770787 GOKLIOTYMCTQRO-UHFFFAOYSA-N 446.569 2.948 0 40 IFAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC)S(C)(=O)=O)cc1 260864244 ZTHKERXQHMXTOC-OAQYLSRUSA-N 445.585 2.568 0 40 IFAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1C 408601730 GUUKBDKNCKREMY-UHFFFAOYSA-N 448.497 2.509 0 40 IFAB COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)nc3)cc2)[nH]1 512712568 SASLMCLTTUYMFJ-UHFFFAOYSA-N 435.484 2.519 0 40 IFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 575615059 AXHFJUXKARIWPV-UHFFFAOYSA-N 448.458 2.514 0 40 IFAB Cc1nc2ccccn2c1CNC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1221500509 BXGZIUBRKOYKCC-CALCHBBNSA-N 435.528 2.892 0 40 IFAB O=C(CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1)N1CCOCC1 1548348709 RPUBMUUKQDLMET-UHFFFAOYSA-N 433.552 2.926 0 40 IFAB COCCN1C(=O)CN(C2CCN(c3nc4c(OC)ccc(Cl)c4s3)CC2)C1=O 1888888453 HNJSJAVVMITKKP-UHFFFAOYSA-N 438.937 2.838 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1 886780 AMMMDBGLHRUUJJ-UHFFFAOYSA-N 436.556 2.923 0 40 IFAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)c(OCC)c(OC)c1 959416 RYNQHEAJRRBOTN-AWEZNQCLSA-N 438.282 2.695 0 40 IFAB COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)OC(N2CCOCC2)=N1 2322335 ZQAXONDMCZEBTI-OAHLLOKOSA-N 440.205 2.890 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 3364083 ZADARIRUIAGTLJ-UHFFFAOYSA-N 432.542 2.997 0 40 IFAB CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 9119416 DBODHWZKSQTFLQ-UHFFFAOYSA-N 431.558 2.688 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(Cc2ccc(F)cc2)c1=O 9128891 UVCHPTHGPXGLCG-NRFANRHFSA-N 434.471 2.878 0 40 IFAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)c(OC)c1 9366153 UGHDJQMWJVKJJV-UHFFFAOYSA-N 437.528 2.995 0 40 IFAB COC(=O)c1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 9430110 BDJWLPHUBNYJOT-FQEVSTJZSA-N 436.464 2.695 0 40 IFAB Nc1nc(SCC(=O)Nc2cccc(F)c2)[nH]c(=O)c1NC(=O)c1ccccc1F 9518086 WXNPICHSZZEIHZ-UHFFFAOYSA-N 431.424 2.613 0 40 IFAB CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 9519291 CPDNGUTYTUIEJF-OAHLLOKOSA-N 441.532 2.892 0 40 IFAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9570801 OGMYXZVKHUOYMB-LBPRGKRZSA-N 431.283 2.638 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCCC4)c1 10395605 ICRJIQWDHODFQT-UHFFFAOYSA-N 446.554 2.808 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)/C=C/c3ccccc3)CC2)c1 11796666 ZGLJITMOHVNASH-VAWYXSNFSA-N 427.570 2.667 0 40 IFAB Cc1cc(C)c(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(Cl)c1 11904499 LPYJRFFAXZZUNC-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB Cc1ccccc1Nc1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 12525695 QVYBOIUTEBBRLZ-UHFFFAOYSA-N 443.558 2.520 0 40 IFAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12749613 OYXOJHGIVKJSTO-DNBYOKIBSA-N 449.592 2.606 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H](C(=O)N1CCCC1)c1ccccc1 12797771 ZLTCJATXZHCMRX-QFIPXVFZSA-N 429.586 2.968 0 40 IFAB Cc1ccc(Cl)c(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1Cl 12991616 NITWBUHJICGQLZ-UHFFFAOYSA-N 444.340 2.887 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 14181051 VCKZOTHLMKUFHP-UHFFFAOYSA-N 436.468 2.751 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc21 16119690 KJAQENXKIYNLFQ-AWEZNQCLSA-N 429.494 2.736 0 40 IFAB O=C(/C=C/c1ccccc1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O 16850543 BXIPIQOPCXXCKS-VAWYXSNFSA-N 443.503 2.713 0 40 IFAB Cn1c(=O)c2ccccc2n2c(CNc3ccccc3C(=O)NCc3ccco3)nnc12 17524700 NHKSHRNAXNPQJO-UHFFFAOYSA-N 428.452 2.716 0 40 IFAB O=C1CC[C@@H](C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)N1 19293971 JQCKSECRWCMHFF-IBGZPJMESA-N 432.459 2.585 0 40 IFAB CSc1nc2nc(C)c(CC(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)c(C)n2n1 19614751 SVYFJALJCCYGAX-HNNXBMFYSA-N 439.541 2.522 0 40 IFAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(N)(=O)=O 19620454 QFJGCLYPVDXDPC-UHFFFAOYSA-N 433.574 2.694 0 40 IFAB CCCc1cc(C(=O)N2Cc3cn(C)nc3[C@H](C(=O)NCCc3ccc(F)cc3)C2)no1 19701246 FEBIVHPOWSSKRS-LJQANCHMSA-N 439.491 2.598 0 40 IFAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)C2 19707304 TZLOVQVJTBRQQR-LJQANCHMSA-N 439.535 2.715 0 40 IFAB COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCc2ccccc2C1 20082085 NJBTZQHILKULKR-JOCHJYFZSA-N 430.512 2.617 0 40 IFAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 20451163 VOQNJWYTOKAGBP-SFHVURJKSA-N 426.542 2.960 0 40 IFAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@H]2[C@@H]1C 20466822 LFNAFXSHQQEKBG-YBUBUUPSSA-N 436.618 2.955 0 40 IFAB biogenic,in-vitro OCCN1CCN(c2nc(Nc3cccc(F)c3)c3cnn(-c4ccccc4)c3n2)CC1 28406140 GOLRJFUNZUSRMJ-UHFFFAOYSA-N 433.491 2.813 0 40 IFAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c(OC)c1 29267331 OVEQTNAECCBLBQ-UHFFFAOYSA-N 426.922 2.880 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)c(C)c1 32615491 GZKPJONSGMUACO-UHFFFAOYSA-N 429.480 2.517 0 40 IFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1c(C)nn(CC(C)C)c1C 32906446 LNDSYTVVJZFYJP-UHFFFAOYSA-N 434.562 2.786 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 32947275 NSVHGHLKPBPXSE-CQSZACIVSA-N 447.538 2.676 0 40 IFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)c2c1CCC2 36615116 AIPHFZAAHIJSOY-UHFFFAOYSA-N 441.426 2.968 0 40 IFAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCNCC2)c2ccccc23)cc1Cl 39380670 IPBDRBHWAYBXQQ-QFIPXVFZSA-N 442.972 2.791 0 40 IFAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccccc1Br 39477161 KWGPFGYBOMHPCJ-UHFFFAOYSA-N 431.242 2.898 0 40 IFAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1)n1cncn1 40141993 QGAPDOGVMCFXOD-ZDUSSCGKSA-N 440.895 2.774 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 40143007 KNSXRHYKBXJMIJ-UHFFFAOYSA-N 426.560 2.859 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCCC2)cc1OC 59444204 FXKQSIAFKUIIPQ-UHFFFAOYSA-N 432.542 2.560 0 40 IFAB CNS(=O)(=O)Cc1cccc(CNC(=O)N(C)Cc2ccc(Br)cc2)c1 60244943 FYONAAQLVNQEJD-UHFFFAOYSA-N 440.363 2.840 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2c(C)n[nH]c2S(=O)(=O)Nc2ccccc2)cc1 72329898 MJDYKYSDPILMAQ-UHFFFAOYSA-N 428.470 2.948 0 40 IFAB O=C(COC(=O)COc1ccc(I)cc1)NCc1ccccc1 72330975 XZBIFAPJIGUTLT-UHFFFAOYSA-N 425.222 2.530 0 40 IFAB COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O 96232264 BAXLEZFKZWUGKU-ZDUSSCGKSA-N 436.342 2.812 0 40 IFAB C[C@H]1CN(CCCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H](C)O1 107088438 MEBYILFTARBJIG-XHSDSOJGSA-N 427.467 2.674 0 40 IFAB COc1ccc(NC(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)cc1 220053785 CDFSLVPQNMBODC-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220268748 WFALCACJFPBSMX-MRXNPFEDSA-N 434.558 2.780 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222519312 YENAIQDTNGDLSN-CYBMUJFWSA-N 426.922 2.942 0 40 IFAB Cc1ccccc1N(CCCC(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O 223787562 LBXIGBNRYUFBDL-UHFFFAOYSA-N 443.569 2.984 0 40 IFAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)ccc21 225161762 ZJOLKOAECAJPTG-QGZVFWFLSA-N 447.538 2.810 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 225209639 WFMVEBLXFOFOLK-AWEZNQCLSA-N 448.495 2.930 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)CC1 225787109 LWGNYMDJNASPNI-UHFFFAOYSA-N 437.974 2.701 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1cccnc1 257338687 YYNCLODWVTTXSI-NGSHPTGOSA-N 429.520 2.819 0 40 IFAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)Nc1ccc(F)cc1 408659954 KJJCZCZKJCMEDH-PBFVBANWSA-N 434.423 2.933 0 40 IFAB COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1 408971100 MCKIVYZSDKMFTC-UHFFFAOYSA-N 437.540 2.905 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)c(O)c1 409056361 DFMMMUKIMNKLKP-YBEGLDIGSA-N 428.466 2.557 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(Cc1cnn(C)c1)CC2 1549167325 NWHPFNFPVRCCMG-QFIPXVFZSA-N 435.572 2.635 0 40 IFAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCCCC2)cc1 1848353997 DWQQLSXNBKPDRL-DEOSSOPVSA-N 449.599 2.548 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 1889231424 BCCLZFQFZLFXKI-BBRMVZONSA-N 432.402 2.746 0 40 IFAB CC(C)NC(=O)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 819459 UYGDHPWLMAPBIR-HXUWFJFHSA-N 443.931 2.689 0 40 IFAB COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2c1=O 3051708 PCGAPUYWAFOFKT-UHFFFAOYSA-N 438.553 2.663 0 40 IFAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)Nc1ccc(OC(F)F)cc1 3342281 ZEIKHYMBLBCRLE-UHFFFAOYSA-N 429.379 2.740 0 40 IFAB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 3496873 RDRCCXUKRRQFOF-CYBMUJFWSA-N 427.486 2.952 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1Br 8588154 VHUGKYNTCHCKIS-UHFFFAOYSA-N 431.337 2.728 0 40 IFAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 9160504 ZHBOMHNEPYIMJC-INIZCTEOSA-N 431.496 2.741 0 40 IFAB O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1O 9192197 PHBASPHYFTWVHD-UHFFFAOYSA-N 438.513 2.888 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9421461 NHKBGPUDIDHPSP-HXUWFJFHSA-N 440.525 2.561 0 40 IFAB COc1ccccc1-n1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 9793048 XWJMKISENWRPRZ-UHFFFAOYSA-N 442.892 2.636 0 40 IFAB CCOCCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)c(C)n23)n(C)c1=O 9829507 URSCNGACMRJMQW-UHFFFAOYSA-N 429.908 2.754 0 40 IFAB CC(C)OCCCNC(=O)CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 9831262 QXTJYARPEIDPDZ-UHFFFAOYSA-N 447.539 2.956 0 40 IFAB COc1ccc(NC(=O)c2cccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)c(OC)c1 9860289 VKCGUNGZMOQCOU-SJLPKXTDSA-N 447.538 2.636 0 40 IFAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)S(=O)(=O)/C=C/c1ccccc1 9882805 QKWMUZNOZYXABB-MDZDMXLPSA-N 431.905 2.792 0 40 IFAB COc1cc(C(=O)OCC(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)cc1 9884134 QPMMXAABRIRPBS-UHFFFAOYSA-N 430.432 2.631 0 40 IFAB CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)c1 10255364 MOGAYAFRSYMTLL-KRWDZBQOSA-N 427.526 2.844 0 40 IFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCS(=O)(=O)c1ccc(F)cc1 12155569 AMELYIMOUPJSFT-QAPCUYQASA-N 428.489 2.629 0 40 IFAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 12899861 UYUUSCHQMIBSGG-XMMPIXPASA-N 434.496 2.918 0 40 IFAB Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(=S)s1 12993405 IIQGGLJUPMJUGA-UHFFFAOYSA-N 438.522 2.965 0 40 IFAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)c1cc(=O)c3cc(C)ccc3o1)CC2 13566301 RJJGHJCLSFGXEQ-UHFFFAOYSA-N 432.480 2.699 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)c(Cl)cc2OC)c1=O 13992314 IDQRYUYLNNWLAB-UHFFFAOYSA-N 445.903 2.809 0 40 IFAB COc1ccccc1-c1noc(COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 14247469 JVLBUPMWNWKVNR-UHFFFAOYSA-N 443.481 2.887 0 40 IFAB CN(CC(=O)Nc1ccccc1I)S(=O)(=O)c1ccc(F)cc1 14429565 BDULNLAAWMQHSM-UHFFFAOYSA-N 448.257 2.690 0 40 IFAB COc1cc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)ccc1O 19291265 OGOYOMZMTHAZCW-JOCHJYFZSA-N 426.492 2.677 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)CCc1ccccc1OC)C2 19707401 YZSVQEIVHWNLFP-HXUWFJFHSA-N 437.544 2.728 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)c3ccc(COC)cc3)C2)nc2c1CN(C(C)=O)CC2 19710515 RTWFSJQAPIMJQC-LJQANCHMSA-N 437.544 2.589 0 40 IFAB COc1cc(C)ccc1OCC(=O)N1CC[C@@H](c2ncc(C(=O)N3CCCC3)c(C)n2)C1 19757381 PWPZHYGTPAWYMK-GOSISDBHSA-N 438.528 2.733 0 40 IFAB CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20140883 PQVFJSAIIGKSQK-HSZRJFAPSA-N 434.544 2.965 0 40 IFAB CN1C[C@@H](NC(=O)Nc2cccc(C#N)c2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464420 YVNHHEGFOPYJFA-IRXDYDNUSA-N 432.440 2.904 0 40 IFAB biogenic,in-vitro O=C(NCc1coc(-c2cccs2)n1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22025310 DUJJNVFFLHHYQL-CYBMUJFWSA-N 425.466 2.844 0 40 IFAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 22808304 WJONOXFQDAXGLI-GMAHTHKFSA-N 441.597 2.788 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1 25343199 IMEDOFLXTMCJSX-HXUWFJFHSA-N 429.524 2.831 0 40 IFAB O=C(NCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccsc1 30063445 FZDJGWJNFJQFQC-UHFFFAOYSA-N 447.582 2.632 0 40 IFAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 31065451 LPXYRLUZRBPRPC-GDBMZVCRSA-N 427.453 2.880 0 40 IFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ncc(Br)cn4)CC3)c2c1 32105923 STRZKCDGNITYOP-KRWDZBQOSA-N 446.305 2.677 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1nc2ccccc2nc1C 32745248 ZRPPLGNUMCUXPI-NRFANRHFSA-N 425.510 2.758 0 40 IFAB CCN1C[C@H](CN(C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 32814659 QSGVEDDHVXAIEO-UXHICEINSA-N 428.529 2.857 0 40 IFAB CC(=O)NCCc1ccc(C(=O)COC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)s1 32865369 QRLVWSSDKDXYSV-HXUWFJFHSA-N 448.516 2.746 0 40 IFAB COC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc21 33348444 FJPLJRDURNOHFE-YBFXNURJSA-N 446.463 2.654 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1OC 33646037 QSELVUKPESBAGZ-NSHDSACASA-N 443.319 2.772 0 40 IFAB C[C@H](C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 34801131 WVLMSHWORAOCJW-MRXNPFEDSA-N 427.998 2.731 0 40 IFAB OCCNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1cnn2-c1ccc(F)cc1 36656923 RXQZODPYEVNAET-UHFFFAOYSA-N 447.518 2.681 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCCOc1cccc(Cl)c1 40113617 FRNWYPPCWDVXKR-QFIPXVFZSA-N 427.888 2.619 0 40 IFAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[nH]c(=O)c21 40399837 NBTABXBBBVMYBW-OAHLLOKOSA-N 449.467 2.985 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O 40478081 IQRQBYYCNDXAST-UHFFFAOYSA-N 444.829 2.915 0 40 IFAB O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 69808681 CQQXUXKAPAMMCF-PMACEKPBSA-N 438.553 2.943 0 40 IFAB Cc1ccccc1-n1ncc2c1N(CC(=O)NCCc1ccccc1)C(=O)N1CCCN=C21 72336726 KIGFUXMELGQFST-UHFFFAOYSA-N 442.523 2.932 0 40 IFAB CCOC[C@@H](O)CN1CCN(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 95399140 GNEFVABVYVWAOL-FQEVSTJZSA-N 427.549 2.605 0 40 IFAB O=C(N[C@H]1CCCC[C@@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 95443384 FGVWWODJKOEKSN-IRLDBZIGSA-N 430.570 2.908 0 40 IFAB COc1cccc([C@@H](CNC(=O)c2cnc3sc(C)c(C)n3c2=O)N2CCCC2)c1 95462891 RHDRTCPUBSDQGK-LJQANCHMSA-N 426.542 2.948 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1cccc(F)c1 96521138 DBWUSOPXQADLMA-NXEZZACHSA-N 437.068 2.778 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC=CCC5)CC4)nn3c(O)c2C1 100243078 FKGALEAOZPVHJW-QGZVFWFLSA-N 437.544 2.792 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1N1CCCC1=O 219230437 JPBVYMDCKNURLQ-UHFFFAOYSA-N 448.526 2.754 0 40 IFAB COc1ccc(-c2nnsc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 225763259 AOSFXFVHYYWRTE-UHFFFAOYSA-N 438.509 2.900 0 40 IFAB CN(CC(=O)N1CCc2cc(Br)ccc21)S(=O)(=O)c1ccc(F)cc1 226036338 FGGFMZJZUVLQNO-UHFFFAOYSA-N 427.295 2.798 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)CN2CCC(C)CC2)CC1 257205055 AXLJKZMKIXYFBD-SONWIMMPSA-N 429.605 2.554 0 40 IFAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)CC1 257311036 UHRDAPYWOHFAAA-ZWOKBUDYSA-N 442.560 2.736 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)c1 409151326 GDCPYSDAVMRWPU-LICLKQGHSA-N 425.466 2.534 0 40 IFAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c1 585270151 HIBZNLTZDILHKE-HXUWFJFHSA-N 428.529 2.568 0 40 IFAB O=C(CCc1ccc[nH]1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccnc1)C[C@@H]2c1ccccc1 2055731774 UPAIEHQPBFBBET-ZEQKJWHPSA-N 444.535 2.766 0 40 IFAB COc1ccccc1NC(=O)N1C[C@@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@H]2C1 2086896896 UYNXNUDJQGVLOC-ROUUACIJSA-N 433.516 2.888 0 40 IFAB CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 2196030 YRGCFURCLPFIRD-OAQYLSRUSA-N 432.524 2.755 0 40 IFAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)o2)cc(OC)c1OC 2652725 SRJCYWZCNDULCS-UHFFFAOYSA-N 444.469 2.592 0 40 IFAB NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 3442480 KIWXWYHVRCKKTE-UHFFFAOYSA-N 442.868 2.527 0 40 IFAB COc1cc(-c2cc(C(=O)NN3CCN(C)CC3)c3ccccc3n2)cc(OC)c1OC 8691182 SJQLIYMTUHVNKJ-UHFFFAOYSA-N 436.512 2.820 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9191168 HAQUIHMLJIJNFQ-HOTGVXAUSA-N 445.541 2.764 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nccn1Cc1ccccc1)C2=O 9219502 BLYKXNMSCFIBLE-UHFFFAOYSA-N 427.530 2.555 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 9616628 DVAULKXATLXYDD-GOSISDBHSA-N 442.483 2.650 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2[nH]1 9632870 QRFBCDKETQZWQF-UHFFFAOYSA-N 446.554 2.623 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccccc1C 9761753 SHIITRHUXPPHMR-UHFFFAOYSA-N 425.416 2.874 0 40 IFAB CCOC(=O)c1[nH]c(COC(=O)c2cc(=O)[nH]c3ccccc23)c(C(=O)OCC)c1C 9778129 GEXVCNRTKGMJSZ-UHFFFAOYSA-N 426.425 2.875 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9781908 RIMAHELMTZVKTQ-UHFFFAOYSA-N 436.555 2.579 0 40 IFAB Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 9806321 ASLLBPMGZCGWDM-HXUWFJFHSA-N 443.569 2.828 0 40 IFAB CCn1c(CCC(=O)NCc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 10741122 OTXJCWRGXXNADF-UHFFFAOYSA-N 444.557 2.564 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccccc1S(=O)(=O)N1CCCCC1 11047827 SOGQEXUWRAIUTQ-UHFFFAOYSA-N 442.537 2.603 0 40 IFAB CCOc1ccc(NCC(=O)N2CCCc3cc(OC)ccc32)cc1S(=O)(=O)N(C)C 12522685 VOEABLRRPWUIDU-UHFFFAOYSA-N 447.557 2.736 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)[C@H](C)Oc2ccccc21 12878856 AVNFOLLJTARSIW-ZDUSSCGKSA-N 446.301 2.626 0 40 IFAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12998641 FOTJXFYTPDRAOA-SFHVURJKSA-N 433.549 2.742 0 40 IFAB Cc1nc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Cl)cc1Cl 13149050 BSKVGHKFXRORGT-VXGBXAGGSA-N 442.299 2.744 0 40 IFAB COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 14014995 MRHPPWBZGQFGHY-UHFFFAOYSA-N 438.461 2.885 0 40 IFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(Cc2ccccc2F)n1N 14069095 FMCGJHWMPYSTBE-UHFFFAOYSA-N 443.504 2.591 0 40 IFAB COc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1S(=O)(=O)N(C)C 14252354 BMWFZHFPJFDONS-LJQANCHMSA-N 443.525 2.848 0 40 IFAB CCC[C@H](C)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 15088955 PABNKRHLUXSCJP-INIZCTEOSA-N 440.562 2.722 0 40 IFAB COc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1OCc1c(C)noc1C 17114190 BOLADMLPWDEPSM-UHFFFAOYSA-N 442.472 2.779 0 40 IFAB Cc1ncc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)c(C)n1 19552548 BAUAQFDQBBLYSA-OAQYLSRUSA-N 426.480 2.953 0 40 IFAB CC(C)Oc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 20039535 NGBZVBDHSUYNGO-UHFFFAOYSA-N 432.542 2.566 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCN1CCOCC1 20310783 DQRICBVBOOVQGT-HXUWFJFHSA-N 426.419 2.949 0 40 IFAB COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)s1)n(C)c(=O)n2C 20853946 FWGQQWRUABAMPB-UHFFFAOYSA-N 432.321 2.510 0 40 IFAB COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)n[nH]2)cc1S(=O)(=O)N(C)C 21806298 NAGBCPNLWGFLNT-UHFFFAOYSA-N 448.932 2.919 0 40 IFAB COc1ccc(OC)c(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 22333859 UHNWFKATTGGBPK-KRWDZBQOSA-N 448.541 2.888 0 40 IFAB CN1C(=O)N(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)C(=O)C12CCCCC2 22418130 FKDSNVRPOHYRJF-UHFFFAOYSA-N 427.423 2.841 0 40 IFAB O=c1ccc(Br)cn1CN1CCN(CCOc2ccc(Cl)cc2)CC1 22933764 JUDCIDYEMKPUBT-UHFFFAOYSA-N 426.742 2.918 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccccc21 26112698 JYYRFSDBXSCCQV-HXUWFJFHSA-N 449.960 2.606 0 40 IFAB O=C(CN1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1)N1CCCCCC1 28326840 IKRCWOKUVRQERR-UHFFFAOYSA-N 429.952 2.891 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)cc1OC 29759214 YXEWHXQRCDNHHA-AWEZNQCLSA-N 427.339 2.630 0 40 IFAB CCOc1ccccc1N(CC(=O)N(C)Cc1ccc(OC)c(OC)c1)S(C)(=O)=O 44903955 AAAZVMDQTZNAPQ-UHFFFAOYSA-N 436.530 2.527 0 40 IFAB COC(=O)c1ccc2c(=O)n(-c3cc(OC)cc(OC)c3)c(N3CCSCC3)nc2c1 49006463 FOTDNQLZEZBBDQ-UHFFFAOYSA-N 441.509 2.743 0 40 IFAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)c1 49549756 JSRGOCHKCXIUNX-UHFFFAOYSA-N 433.443 2.569 0 40 IFAB COc1ccc(C2(CN3CCC(NC(=O)[C@@H]4CC(=O)N(C)C4)CC3)CCCCC2)cc1 72393602 RPQGAVDQOFTPES-LJQANCHMSA-N 427.589 2.956 0 40 IFAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)cc1 72393659 HWEWLDWQZMMAKB-AWEZNQCLSA-N 433.390 2.950 0 40 IFAB CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 84739835 KUVCNOLCHLDCHP-GJZGRUSLSA-N 436.350 2.709 0 40 IFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1OC)OCO2 85413075 KOGGJXCOXPDSQM-LIRRHRJNSA-N 426.377 2.605 0 40 IFAB COc1ccc(-c2nn([C@@H](C)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc2OC)cc1 96101059 MXKSAJSDNXQNLZ-SFHVURJKSA-N 448.523 2.837 0 40 IFAB CC(C)Cn1cnc2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O 96115776 KDMMBZGTNRGJPP-HXUWFJFHSA-N 447.495 2.522 0 40 IFAB biogenic COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc4c(c3)CCN4C)n(C)n2)c1 96362528 WIGDHXAZQPHXGH-QFIPXVFZSA-N 436.512 2.560 0 40 IFAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5ccco5)CC4)c3CO2)cc1 97943731 MGBDWJVSADOKNY-NRFANRHFSA-N 449.511 2.620 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)s1 105553588 LYMWQTTVVWKIDO-PJVZLEMVSA-N 439.647 2.692 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccccc1F 216262413 TUDIUGIFLRZZLV-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 223134401 WQKCYJMHGBXJJC-UHFFFAOYSA-N 438.918 2.931 0 40 IFAB CCCSc1nnc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)s1 223287979 VIPVFZCIQYJCOR-UHFFFAOYSA-N 428.561 2.976 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)s2)cc1 224206455 DBLQGTWIGYDKRW-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB C[C@H]1Cc2ccccc2N1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225068882 CNHWQQRNXXZZMQ-ZDUSSCGKSA-N 437.591 2.642 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1OC 225442077 PAZFCBLOUYXUOR-AWEZNQCLSA-N 435.318 3.000 0 40 IFAB COC(=O)c1ccc(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)cc1 225563359 PRTJVAVCTXFTEG-UHFFFAOYSA-N 438.406 2.508 0 40 IFAB CCn1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)c(C)n1 257293490 QPRVYAZRQKZMBP-VDKIKQQVSA-N 440.588 2.515 0 40 IFAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 260757761 RWRUWPQXEJIERZ-LJQANCHMSA-N 445.585 2.703 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(Cl)c1 408636534 RTUZNOZBDVAALD-UHFFFAOYSA-N 426.922 2.899 0 40 IFAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 409201406 MMHISTNEBMAVNQ-WQRHYEAKSA-N 439.493 2.788 0 40 IFAB Cc1ncsc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555837 GCWZHIRIFSVAIE-QHCPKHFHSA-N 443.569 2.927 0 40 IFAB CS(=O)(=O)c1cccc2sc(N3CCC(Oc4ccn5nccc5n4)CC3)nc12 2298242805 MUMHSXYZVRCPPI-UHFFFAOYSA-N 429.527 2.790 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1)c1ccccc1 802375 PXHQLLQXTNTFGC-QGZVFWFLSA-N 425.510 2.816 0 40 IFAB CCOc1nc(NC(=O)NS(=O)(=O)Oc2ccccc2F)nc(-c2ccccc2)n1 3624517 SMLVJOSITSIMKU-UHFFFAOYSA-N 433.421 2.522 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3[C@](C)(O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 4692629 WFRLJGNYKYVMET-YBFPIEQSSA-N 428.437 2.583 0 40 IFAB C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9255620 MEJJHHPBFKOKBG-CYBMUJFWSA-N 441.912 2.939 0 40 IFAB CCc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1 9290087 CCBKPSKPEXJLAM-UHFFFAOYSA-N 429.498 2.768 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)c2cncc(Br)c2)sc2c1CCC2 9402831 PWQHSYILTXCHSP-UHFFFAOYSA-N 439.287 2.976 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21 9660734 LFQLFHIXUJBGSQ-UHFFFAOYSA-N 444.491 2.838 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2cccc(C)c2)cc1 9744749 LTWHBRWUEDTLCR-FQEVSTJZSA-N 443.569 2.992 0 40 IFAB O=C(CSCc1ccccc1)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822685 VMAMLPFZFWAKFF-UHFFFAOYSA-N 433.537 2.691 0 40 IFAB CCn1c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc21 10407173 TZIOEHYTFNLDJP-UHFFFAOYSA-N 442.541 2.636 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1 11518087 SNWFXKCJKPZDJK-UHFFFAOYSA-N 432.432 2.709 0 40 IFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(OC)cc2OC)CC1=O 11532237 DFENOOKIQPYSOE-INIZCTEOSA-N 426.469 2.801 0 40 IFAB COC(=O)C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Cl 11668771 TVBJIIPILUCJIX-SFHVURJKSA-N 436.917 2.914 0 40 IFAB COc1ccc([C@@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccccc2)cc1 12420632 NPGSJLDIAVZVJF-HSZRJFAPSA-N 443.569 2.713 0 40 IFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12747210 NXRMFXRVDGZTRY-UHFFFAOYSA-N 443.521 2.905 0 40 IFAB COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)cc1F 12751689 CSHOEEHXJJULST-SFHVURJKSA-N 431.533 2.845 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 12893993 UWTPQYVWRGTCAD-NTKDMRAZSA-N 437.496 2.835 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12978989 JOPQHAKSDYGOQN-QFIPXVFZSA-N 427.570 2.899 0 40 IFAB CC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)cc1 13506365 JPUJHCSIGVQTJG-UHFFFAOYSA-N 427.526 2.773 0 40 IFAB CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3ccsc3)c(=O)oc2c1OC(C)=O 13608259 AHUJFHMBWNPNGB-UHFFFAOYSA-N 443.477 2.915 0 40 IFAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 13692575 HONHMLFQBHZDMO-ICSRJNTNSA-N 446.551 2.884 0 40 IFAB Cc1oc2cc(OCC(=O)N[C@H]3C=CS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 13731140 DGPGBCMUBJEBAS-INIZCTEOSA-N 425.462 2.574 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(Br)cc1 14109306 CYJGAXHNHWXXHJ-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)CC1 15091412 GHFHEKCKNUWQDY-UHFFFAOYSA-N 429.542 2.845 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1nnc(Cc2ccccc2)s1 16694645 TUQCPCRVZLBDAU-QHCPKHFHSA-N 447.520 2.851 0 40 IFAB CN(Cc1ccsc1)C(=O)COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 19131168 OJBBTPYKVUGLET-UHFFFAOYSA-N 430.507 2.612 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCCC3)[nH]c2=O)C1 19404927 BGPHZIVTWXEYGB-FQEVSTJZSA-N 435.528 2.607 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502871 POORQWXIZARNGZ-HXUWFJFHSA-N 437.569 2.946 0 40 IFAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(S(=O)(=O)c1ccc(F)c(C)c1)C2 19710903 KWUHQERSGISBOA-UHFFFAOYSA-N 433.553 2.522 0 40 IFAB CNC(=O)c1cc([C@H]2CCN(C(=O)c3cc(-c4cnn(C)c4C)on3)C2)nc2ccccc12 19762536 BDIGHHFFHIIEQC-HNNXBMFYSA-N 444.495 2.921 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1C 20008626 PIWVUYRYQBJPBJ-OAQYLSRUSA-N 439.537 2.605 0 40 IFAB COCCCN1CNC2=N[C@H](c3ccc(OC)c(OC)c3)n3c(nc4ccccc43)N2C1 20101735 JIUQYLBUQROBGU-NRFANRHFSA-N 436.516 2.633 0 40 IFAB Cc1cc(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc23)N2CCN(C)CC2)ccc1F 20890331 DCGFDUWPUQYSST-QFIPXVFZSA-N 430.549 2.882 0 40 IFAB COc1cccc(NC(=O)CN(C)Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)c1 23057960 OYKZJJVSSKEEGK-UHFFFAOYSA-N 439.541 2.856 0 40 IFAB Cc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c(C)n1Cc1ccco1 24776066 IEZVLJDSXAQBHY-UHFFFAOYSA-N 431.500 2.684 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc3c(c2)OCCCO3)C(C)C)cc1 24858288 VQZUGSLWBGDXGO-FQEVSTJZSA-N 434.514 2.798 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 32820372 YCUGOJVYWMWHDN-NRFANRHFSA-N 428.510 2.590 0 40 IFAB COc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)n2)cc1OC 33293057 DQJOZLDGDBDUJT-UHFFFAOYSA-N 448.414 2.837 0 40 IFAB COC(=O)c1c(NC(=O)C(=O)NCCCn2nc(C(F)(F)F)cc2C)sc(C)c1C 36612461 AGAYLCJRYLSPKA-UHFFFAOYSA-N 446.451 2.820 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 37406128 QKSXFQURWYYECP-UHFFFAOYSA-N 430.516 2.986 0 40 IFAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 40390623 YSHGITFKPHSHGR-CABCVRRESA-N 439.516 2.920 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C(=O)NC(C)C 44884963 IYXZNTVXGRVQHD-UHFFFAOYSA-N 442.541 2.806 0 40 IFAB CCOc1cccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44919907 KDJJFUOELAALST-LJQANCHMSA-N 438.933 2.972 0 40 IFAB COC(=O)c1ccc(Cn2nc3c(-c4nc(-c5ccc(C)cc5)no4)cccn3c2=O)o1 49006629 MMYUWXMWBWXGFL-UHFFFAOYSA-N 431.408 2.949 0 40 IFAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 56945131 NGAYKGZBLLJGOU-HSZRJFAPSA-N 446.551 2.884 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C)cn1)n2C 57632667 KQGXGZYVXQXAID-UHFFFAOYSA-N 429.546 2.879 0 40 IFAB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccncc4)c(=O)n32)c1 59143993 PDYHPNBIOPMYRX-PRWBYUBPSA-N 449.532 2.590 0 40 IFAB O=C1NCCCC[C@@H]1N1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 72297830 YHIBVJVQNHDANI-FQEVSTJZSA-N 433.512 2.559 0 40 IFAB COc1ccc(CCc2nc(NC(=O)[C@H]3CCCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1 79483595 ZBSRXGUOUFDOCY-SFHVURJKSA-N 435.532 2.860 0 40 IFAB CC(C)[C@H](C(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@@H](C)C2)cc1)N1CCCC1=O 95460264 GMDLLBWOFMZYRL-JXALWOEJSA-N 429.605 2.959 0 40 IFAB O=C(C1CCC1)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)C4CCC4)nn3c(O)c2C1 100243277 OUIVCIUWIOZQDQ-FQEVSTJZSA-N 437.544 2.973 0 40 IFAB CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 113944917 FNCRTSZZBFMYBF-GOSISDBHSA-N 432.542 2.811 0 40 IFAB Cc1ccccc1-c1noc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 222749920 OMLDHFPWKNDYEP-UHFFFAOYSA-N 448.932 2.978 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2cccc3ccccc23)cc1 224234546 LHYPOVBFTZDOMI-UHFFFAOYSA-N 428.510 2.664 0 40 IFAB CCc1ccccc1N(CCCC(=O)NCCOc1cccc(OC)c1)S(C)(=O)=O 224661089 GEKUTHPVALNUOX-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc21 225072566 HOPGFTBFDVNRDH-AWEZNQCLSA-N 431.539 2.639 0 40 IFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515813 NUQIJOGDLJPESP-ZHALLVOQSA-N 438.343 2.897 0 40 IFAB O=S1(=O)c2ccccc2O[C@@]2(CCN(Cc3ccco3)C2)CN1Cc1ccccn1 306140971 VHWFOTFROTXUBC-JOCHJYFZSA-N 425.510 2.903 0 40 IFAB COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc(OC)cc2)cc1 408710139 PYICDXOSFQBDJJ-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB COc1cc2c(cc1OC)[C@H](NC(=O)CC[C@@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 524730894 BFGXXNHYDGQUSX-MOPGFXCFSA-N 437.496 2.708 0 40 IFAB biogenic COC(=O)C[C@H](c1c[nH]nc1-c1ccccc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419319 RUJLIOGFDPBLRN-GOSISDBHSA-N 447.495 2.913 0 40 IFAB O=C(CCn1ccnc1)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643578817 HRRJKCQAOFOIPT-UHFFFAOYSA-N 440.588 2.939 0 40 IFAB C[C@](O)(C(=O)NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(Br)c1 1636128227 RJJBDZIDWSUDIE-ORAYPTAESA-N 428.273 2.902 0 40 IFAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NC(C)(C)CO 2376261 OYVMCOQLXNANNB-UHFFFAOYSA-N 425.514 2.611 0 40 IFAB CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 3831402 JSDRRTOADPPCHY-ZPMCFJSWSA-N 438.524 2.567 0 40 IFAB COCCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1ccncc1 4375274 HDWIKVCAYWHNJR-UHFFFAOYSA-N 441.513 2.894 0 40 IFAB O=C(/C=C/c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 6191249 YOZIVXRZILRKJU-VAWYXSNFSA-N 425.485 2.920 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCc2sccc2[C@H]1C1CC1 8918754 KTPXUXSKFCJRIH-OAQYLSRUSA-N 449.598 2.955 0 40 IFAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)CCCc1ccccc1 8943957 AKJPUTQCQYRBBO-UHFFFAOYSA-N 428.562 2.746 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1F 9380930 PFCILNSIPYTGJL-GOSISDBHSA-N 425.507 2.698 0 40 IFAB CCOC(=O)c1cnc(SCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)nc1N 9464864 TUQUQFBGSXTCSP-UHFFFAOYSA-N 443.481 2.794 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 9468268 YWSPPSXJSYSCOS-UHFFFAOYSA-N 443.481 2.977 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCC(=O)N2CCc3ccccc32)cc1 9504186 RNGNSCWATMWFLO-NRFANRHFSA-N 442.537 2.671 0 40 IFAB COc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 10716526 KVAWNSWWGLRXPD-UHFFFAOYSA-N 431.510 2.838 0 40 IFAB O=C(CNc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 11116979 VAONPOLGDHYLSJ-UHFFFAOYSA-N 433.961 2.774 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc(C(=O)OC)c1 11247324 SCWLPRHOWGDRSL-LJQANCHMSA-N 434.452 2.811 0 40 IFAB CCn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2N3)c(=O)c2ccc(C)nc21 12089282 HQXMMJBWMJVEER-XMMPIXPASA-N 431.496 2.513 0 40 IFAB COc1ccc(C[C@H]2CC[C@@H](CCC(=O)N[C@@H]3CN4[C@@H](C(=O)O)C(C)(C)S[C@H]34)O2)cc1 12296286 VDDXUGGVJSQYDR-CPDPWVEUSA-N 448.585 2.671 0 40 IFAB CCOc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 12377911 KIMHTUFULCKHRS-JJRVBVJISA-N 430.404 2.956 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)ccc1OC 12548292 QOMNHSCISBBPQC-MRXNPFEDSA-N 448.570 2.704 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)c(C)c1 12559463 GUAJXWVMKAVXQI-UHFFFAOYSA-N 442.516 2.979 0 40 IFAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 12765432 FTGKYMYGEHPLSY-CQSZACIVSA-N 443.529 2.855 0 40 IFAB CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 12863038 SDAMGKZYWOXNJE-QGZVFWFLSA-N 439.578 2.707 0 40 IFAB C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1cccc(Cl)c1 13557475 KBISBVPZOJBECT-LJOBPSPCSA-N 429.929 2.731 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713216 JOSWQSLHZLZYAT-FQEVSTJZSA-N 445.585 2.897 0 40 IFAB COc1cc2cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)[nH]c2c(OC)c1OC 13722800 GFDFFXAJAQLNKO-UHFFFAOYSA-N 441.440 2.681 0 40 IFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 14227931 MZWXRLJTZMSWMI-AWEZNQCLSA-N 425.435 2.920 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCCO2 14398238 PUZSYNGQFHLNHE-UHFFFAOYSA-N 436.555 2.522 0 40 IFAB Cc1ccc(NCC(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1 15123431 ZYFGPNQTFKWDFM-UHFFFAOYSA-N 441.912 2.859 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2C)NC(=O)N[C@H]1c1ccco1 15405778 AOBAOZFGJNJWEC-KRWDZBQOSA-N 440.485 2.527 0 40 IFAB COC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858458 CBMWWJOSXJBYMD-LLVKDONJSA-N 436.873 2.691 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 16550971 JMYVBCOLIHMMMK-GOEBONIOSA-N 448.416 2.995 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)C4CCOCC4)C3)n2)CC1 19085289 GMTKCEXDRQSJMF-IBGZPJMESA-N 444.576 2.677 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)CC1 19520277 HRZUGCVHKRDJKS-FQEVSTJZSA-N 445.589 2.597 0 40 IFAB COc1ccc([C@H]2C[C@@H](NC(C)=O)C[C@@H](CCNC(=O)c3cc(C4CC4)nn3C)O2)cc1 19712429 ZKKKIZGKLQNLNE-JXHRLWIKSA-N 440.544 2.851 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)C3)C1 19743844 FXQPEZJXMZJJRC-LJQANCHMSA-N 444.539 2.968 0 40 IFAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C2CCOCC2)CC1 19758654 SIXSKOMQPSBDKH-UHFFFAOYSA-N 426.561 2.792 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 19932748 OHAVQXVMMLFKQP-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)nc2)N2CCOCC2)cc1OC 21199951 HBYRENQBFOIKFA-MRXNPFEDSA-N 439.434 2.921 0 40 IFAB C[C@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCN(CC(=O)NC2CC2)CC1 22912565 OKXGEDLHIZMZOB-OAHLLOKOSA-N 437.569 2.609 0 40 IFAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1 23136701 IALSGVBNOYTRPQ-UHFFFAOYSA-N 430.511 2.570 0 40 IFAB CCn1c(N2CCN(C(=O)Nc3ccccc3C)CC2)nc2cc3c(cc2c1=O)OCCO3 28555729 FIFMMRKJYSPMJZ-UHFFFAOYSA-N 449.511 2.850 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(Br)c1 32814449 TXMMSTBOCWKRKB-UHFFFAOYSA-N 436.287 2.749 0 40 IFAB C[C@@H](C(=O)NCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 34801130 WVLMSHWORAOCJW-INIZCTEOSA-N 427.998 2.731 0 40 IFAB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1C[C@H]1COc2ccccc2O1 35362422 VLEISURZIUAIQG-FQEVSTJZSA-N 447.539 2.740 0 40 IFAB O=C(NCCc1nnc2ccccn12)c1cccc(NS(=O)(=O)c2cccs2)c1 40144285 JAVFXXRABNRIKL-UHFFFAOYSA-N 427.511 2.564 0 40 IFAB COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccc(F)cc2N3C)cc(OC)c1OC 49410052 FXCRXYYONVKAMK-UHFFFAOYSA-N 443.475 2.664 0 40 IFAB biogenic COC(=O)[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F 69563293 NPNHNEGJEOHRPZ-RHSMWYFYSA-N 441.450 2.964 0 40 IFAB O=S(=O)(c1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2nnnn2C2CC2)CC1 71889339 VEUXCIXGOMDMMA-NRFANRHFSA-N 444.605 2.854 0 40 IFAB CCC(CC)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 72300931 PFGPCJULANCBDK-HYBUGGRVSA-N 439.512 2.701 0 40 IFAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 95997691 FMXVLKCUFAATLU-IRXDYDNUSA-N 425.470 2.559 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c1 96121471 FNUNRXNRFGRBSL-UHFFFAOYSA-N 442.541 2.820 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](CO)c3ccccc3)CC2)cc1 101510059 ZGFFZQYJKHFUMH-KPLVRAHFSA-N 446.569 2.630 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc3c(c1)OCCO3)=C2C 219189469 SJPRRPZLYGNVFA-UHFFFAOYSA-N 446.481 2.624 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2CCCc3ccccc32)cc1N1CCCC1=O 219230736 DCNUFXXJCMOLBL-UHFFFAOYSA-N 443.569 2.943 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)N(c3cccc(OC)c3)S(C)(=O)=O)ccc21 225114922 KSSHOFZHVYUZBQ-ZDUSSCGKSA-N 449.554 2.885 0 40 IFAB C[C@@H]1CN(C2CCN(C(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 251834623 PVWOENMPGHRDFU-QCQOOAGBSA-N 443.632 2.906 0 40 IFAB Cc1nc(CN2C[C@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@@H]3C2)cs1 306140063 UILRXKMTJBIQOX-NHCUHLMSSA-N 439.585 2.624 0 40 IFAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 408527012 CZPVZTQPCZJIBT-IBGZPJMESA-N 437.521 2.978 0 40 IFAB CCc1nc(S/C(=C\c2cc(Br)c(N3CCOCC3)o2)C(=O)O)n[nH]1 408632865 ULMJBWJUHUHXOL-FLIBITNWSA-N 429.296 2.777 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408671501 YHKLSEKUGJQNIO-WVZRZZCNSA-N 448.475 2.992 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 409062052 MQSJTNJFQJLYBJ-WAUWHALJSA-O 448.474 2.859 0 40 IFAB CCN1CCN(Cc2cc3c(cc2OC)OCCO3)CCOc2ccccc2CC1=O 643568985 YFDVLLYYSXSGNX-UHFFFAOYSA-N 426.513 2.752 0 40 IFAB C=CC(=O)Nc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)c1 1153610194 WVWHBGAOCVTJJV-SFHVURJKSA-N 428.286 2.887 0 40 IFAB CCc1ncnc(N(C)CC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1F 1888906593 AUXYIQXREZNSLG-UHFFFAOYSA-N 438.433 2.987 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 3317490 DBSPQZIHAGWBOD-UHFFFAOYSA-N 433.482 2.528 0 40 IFAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 9012606 QASJTJYSEODCGD-LLVKDONJSA-N 446.312 2.627 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc12 9390575 PDSBUENVMZJCHU-UHFFFAOYSA-N 442.493 2.903 0 40 IFAB COc1ccc(N(CCCC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1Cl 10338321 QFVLXHCYXXBIQV-UHFFFAOYSA-N 439.921 2.632 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 10371491 WGECSOLGAIWAIB-QGZVFWFLSA-N 434.558 2.834 0 40 IFAB CC1CCN(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 10540563 DDULUHQLVQCKEF-UHFFFAOYSA-N 436.405 2.998 0 40 IFAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C 11978283 TVADTRBOQSKFPR-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1c(=O)oc2ccccc21 12185197 LNDKNQSXRVVNFC-HNNXBMFYSA-N 438.509 2.865 0 40 IFAB COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1 12415765 BFQXVCNQMZPPLH-UHFFFAOYSA-N 440.521 2.623 0 40 IFAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 12521791 KNLVQYFXASFNCP-QGZVFWFLSA-N 429.492 2.905 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 12757994 LGZYCODOVACNSS-UHFFFAOYSA-N 443.447 2.601 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCC(=O)N3CCCC3)C2)c2ccccc12 12801223 GJEXPDHWDFRKRE-GOSISDBHSA-N 437.540 2.829 0 40 IFAB C[C@@H](N[C@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13037957 FGYPYMKTRLRAIB-VXGBXAGGSA-N 426.336 2.774 0 40 IFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 14014582 HCJQMTPSYMGJIH-NRFANRHFSA-N 425.529 2.630 0 40 IFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)c1C 15452057 YJVIEKFUFIAXFL-UHFFFAOYSA-N 427.473 2.623 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc1 18457382 VJASATCFMGKBHU-AWEZNQCLSA-N 448.570 2.578 0 40 IFAB COc1ccc(-c2noc([C@H]3CN(C(=O)CN4CCc5ccccc5C4)CCO3)n2)cc1 19558507 MNJGWUSQTIGNCT-OAQYLSRUSA-N 434.496 2.703 0 40 IFAB COc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)nc3)C[C@]23CCCC(=O)N3)c1 19566062 OBBJMGNFGWTNFP-WIOPSUGQSA-N 436.556 2.565 0 40 IFAB COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@@H](c4ccccc4)C3)nc12 19594188 YAGZUHJCJQFFDA-LJQANCHMSA-N 433.512 2.503 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CN(C(=O)CCc3ccccc3)Cc3cn(C)nc32)cc1 19701512 GPHYWYZGTCORQZ-JOCHJYFZSA-N 432.524 2.804 0 40 IFAB Cc1nn2c([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)ccnc2c1Cn1ccnc1C 19707764 NCHJQRIFHMRQTR-JOCHJYFZSA-N 448.502 2.873 0 40 IFAB Cc1n[nH]cc1C(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19738891 IWVJJNBSVRTCJB-LJQANCHMSA-N 444.539 2.968 0 40 IFAB CC(C)Oc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819841 OXTYGPCILFCQEC-HXUWFJFHSA-N 448.541 2.554 0 40 IFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 19947817 ZYMWIQFRIXOBSZ-HZHRSRAPSA-N 437.477 2.730 0 40 IFAB CCOC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 20150684 OLYMSKIHWOMGRD-ORGXJRBJSA-N 446.500 2.924 0 40 IFAB Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 20451161 VOQNJWYTOKAGBP-GOSISDBHSA-N 426.542 2.960 0 40 IFAB CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 20566941 GRTDGWSJUICEMG-JOCHJYFZSA-N 446.551 2.751 0 40 IFAB O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 23135444 CYVVAGVMUDVVMJ-UHFFFAOYSA-N 438.875 2.765 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 23744599 AEISDQDYAIIODK-RBUKOAKNSA-N 447.626 2.789 0 40 IFAB O=C1CCSc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2N1 25442408 RPVNXNCBQQQOLB-UHFFFAOYSA-N 444.538 2.844 0 40 IFAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2n1C 27489034 LTDSECZBJCUHQJ-XMMPIXPASA-N 444.535 2.756 0 40 IFAB COCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ncccc2c1=O 32891518 JSWVMZRCNDJPIO-UHFFFAOYSA-N 434.905 2.831 0 40 IFAB COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)ccc1O 35066397 QCKNOIILUDZJLU-RKVPGOIHSA-N 428.338 2.644 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(Cc3cc(C)no3)CC2)c1 48302940 ZWNZXAUFSZWWCS-UHFFFAOYSA-N 427.505 2.720 0 40 IFAB O=C(c1n[nH]c2ccccc12)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 58229926 CIQLYASAQKEURI-UHFFFAOYSA-N 438.431 2.819 0 40 IFAB CS(=O)(=O)N1CCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 72343043 GMDATUMUIGETSO-XZOQPEGZSA-N 448.560 2.555 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 89914330 FUCUXVZZLZKRNA-RUZDIDTESA-N 446.507 2.708 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220362177 ITJOVLZIYRHJBH-AWEZNQCLSA-N 430.954 2.605 0 40 IFAB C[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220463620 FAAXESSPDHZTOL-HNNXBMFYSA-N 425.501 2.762 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 222770459 GSNCEQVFDPNKTN-UHFFFAOYSA-N 448.541 2.805 0 40 IFAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1OC 223333574 HQJIBFDYPYOFTM-UHFFFAOYSA-N 438.571 2.705 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)s2)cc1 224987692 MWFGWFMVPNGLPL-KRWDZBQOSA-N 444.538 2.988 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c1 252492128 MDMIEJZGPAWOMQ-UHFFFAOYSA-N 447.333 2.589 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)c3cccnc3)nn2c(O)c1CCC(=O)N1CCCC1 257294909 QWFKBZQWGWGUDU-HXUWFJFHSA-N 448.527 2.671 0 40 IFAB Cc1nc(CN2CCO[C@]3(CN(C(=O)C4CCCC4)C[C@H]3c3cccnc3)C2=O)cs1 306136151 PKVRCKOREUQQMZ-REWPJTCUSA-N 440.569 2.760 0 40 IFAB Cc1cc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)ccc1Br 408549325 XKMVWUCESZEJOV-UHFFFAOYSA-N 441.303 2.891 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408621591 LQQYMBUKDMICCV-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)Nc1ccc(F)cc1 408671212 YUNVUVQLICZERV-FJAKRLOMSA-N 434.423 2.933 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@H](C)CCc1ccccc1)c1ccc2c(c1)OCCO2 408706105 VIZVFKSCHYSIKS-QGZVFWFLSA-N 432.542 2.751 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(C)cc1 408824601 IJUGPFHMRDJHRT-YMFQVDJJSA-N 434.517 2.812 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 409194277 JIDPJLQUZLBYNI-QGZVFWFLSA-N 449.548 2.630 0 40 IFAB O=c1c2ccccc2ncn1[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 575617676 QIHNVRNLAFCTBW-GOSISDBHSA-N 435.509 2.608 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](OCCO)c3ccsc3)n(C)n2)c1 575618685 AXXXGQKTCFAXDH-FQEVSTJZSA-N 431.514 2.646 0 40 IFAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103854 RYCOFLDPJGNTNY-NRFANRHFSA-N 436.556 2.984 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)Cc4cccc5ccccc45)C3)n2)n1 1775965795 KYYLCQAXYHRTAO-UHFFFAOYSA-N 427.508 2.900 0 40 IFAB O=S(=O)(c1ccccc1Cl)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928817 IVOIHBICJICFAA-CYBMUJFWSA-N 433.921 2.745 0 40 IFAB CSCC[C@@H](N)C(=O)N1CCC2(CCCCc3ccccc3OCCN(C)C2=O)CC1 2037883960 KTXMBCQNFAMBDX-HXUWFJFHSA-N 447.645 2.939 0 40 IFAB COc1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 920977 WOAMBSNNSZRDNS-UHFFFAOYSA-N 438.571 2.594 0 40 IFAB COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 2482939 BEMPVQPWBBSOKV-UHFFFAOYSA-N 426.860 2.936 0 40 IFAB biogenic CCOc1ccc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)cc1OCC 5342347 OLOQRFUCCWGTCH-SFHVURJKSA-N 425.485 2.976 0 40 IFAB COc1ccc([C@H]2[C@H]3C(=O)OCCOC(=O)[C@@H]3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 5662620 IZEJFMUSEYXSBD-GXRSIYKFSA-N 442.464 2.934 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 8728252 YPMQVUFRJJZNGO-LJQANCHMSA-N 443.525 2.523 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 8744953 JRYWMHZDDXKLEU-UHFFFAOYSA-N 430.482 2.848 0 40 IFAB COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@@H]3C(=O)N2CCC(C(N)=O)CC2)cc1 9101771 JSCMMIANUSTQDU-INIZCTEOSA-N 442.541 2.548 0 40 IFAB C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 9291956 WRKIYHUOQVMIQR-INIZCTEOSA-N 433.487 2.740 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 9448732 FJGYXELPVKAFQK-GOTSBHOMSA-N 427.504 2.987 0 40 IFAB COc1cc2c(cc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)oc1ccccc12 9677304 RBHBVZSLEYJWOO-UHFFFAOYSA-N 444.241 2.846 0 40 IFAB Cc1ccc(NC(=O)CSCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1 10022208 ZVSWKQGVKZCLBH-UHFFFAOYSA-N 442.493 2.732 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C 10026559 PUYQIEPBLCRYKA-INIZCTEOSA-N 443.500 2.759 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 10763237 QUJBSHWPABFBNF-UHFFFAOYSA-N 438.480 2.996 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](c4ccccc4)C3)CC2)Nc2ccccc21 12085633 KIVVFJASMRTLPS-IBVKSMDESA-N 446.551 2.957 0 40 IFAB CC(C)N1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccc(F)cc2)C1=O 12409259 PKNMUAIQZIHCIA-UHFFFAOYSA-N 449.504 2.832 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 12555299 CTCGCXKDMLOXFD-OAQYLSRUSA-N 437.496 2.692 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2cc(Br)ccc2=O)sc2c1CCC2 12789302 FFXPJFOSZDFXAV-UHFFFAOYSA-N 425.304 2.976 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)cc1 13992339 DRWJQBDSETTXLB-UHFFFAOYSA-N 433.439 2.998 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC12CC3CC(CC(C3)C1)C2 14233696 DTJMUDGQGRHWJA-SCUMNGBJSA-N 448.585 2.847 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O)Nc1ccc(F)cc1 14257289 MQXJLWKUCSPXST-LFIBNONCSA-N 431.445 2.930 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14401764 CBYYHDDKWMRRJL-UHFFFAOYSA-N 447.557 2.578 0 40 IFAB Cc1nc2c(c(=O)n1CC(=O)NCCc1ccccc1F)CCN(Cc1ccccc1)C2 19286133 ZRSYKWMWYHXABU-UHFFFAOYSA-N 434.515 2.608 0 40 IFAB COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)ccc1OCC(N)=O 19453625 VQTZOTDDSOPRLE-UHFFFAOYSA-N 439.560 2.631 0 40 IFAB CCn1ccc(C(=O)N2CCC(c3cc(C(=O)NCc4ccccc4OC)on3)CC2)n1 19525138 QDKRDWILUXTYOY-UHFFFAOYSA-N 437.500 2.849 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19558760 VJNGXVSEXUIHFL-AWEZNQCLSA-N 440.529 2.513 0 40 IFAB CCCn1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)nc2ccccc21 21355588 XOUOFRSIWWYIAG-QHCPKHFHSA-N 435.484 2.861 0 40 IFAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1Br 22471265 BACRJKUPCZQUER-UHFFFAOYSA-N 443.301 2.578 0 40 IFAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23873163 ONZAKWUNKAUDQN-UHFFFAOYSA-N 443.547 2.778 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(C)nc2c1c(C)nn2C 25054450 JTGSRJAEFWLSNE-UHFFFAOYSA-N 441.557 2.819 0 40 IFAB CC(C)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ncccc2c1=O 32893326 UWAYJYZAOZGFKC-UHFFFAOYSA-N 426.498 2.585 0 40 IFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c2ccc(Cl)cc21 36359670 PEGGANTZDLMCCM-OAQYLSRUSA-N 442.903 2.718 0 40 IFAB O=C(CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1)NCc1ccccc1Cl 40149575 AVTFEFPILPLWIQ-UHFFFAOYSA-N 425.916 2.964 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[nH]c(=O)c21 40400128 KKQCXMNVRBLNSS-CYBMUJFWSA-N 449.467 2.904 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)c(Cl)c2)cc1 44802844 UZHSWDOEOIXKNN-UHFFFAOYSA-N 435.977 2.926 0 40 IFAB CCn1nc(-c2ccc(C)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c2c(c1=O)CCCC2 46027508 YGSPFNJYZCUZQP-QGZVFWFLSA-N 431.558 2.575 0 40 IFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccccc2N2CCc3sccc3C2)C1 71808632 LKTULDIFEPMYDG-MRXNPFEDSA-N 434.587 2.856 0 40 IFAB CCCS(=O)(=O)N1CCN(CCNC(=O)c2sc3ccccc3c2Cl)CC1 72242751 QFCQKLVDVFNRIE-UHFFFAOYSA-N 429.995 2.642 0 40 IFAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCCc3ccco3)CC1)CC2=O 72327721 GORZGXQTARBCPT-UPCLLVRISA-N 440.496 2.752 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C(=O)N2CCN=C32)cc1 72347801 BLOYRZNVUWQQES-HOTGVXAUSA-N 436.516 2.673 0 40 IFAB Cc1ncsc1C(=O)CNC(=O)CCN1CCN(c2ncc(Cl)cc2Cl)CC1 95456069 XOUMYZICKQSUAK-UHFFFAOYSA-N 442.372 2.665 0 40 IFAB O=C(C1CCCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251399 XKFIQLDNROMIIL-RDPSFJRHSA-N 425.577 2.628 0 40 IFAB COc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1Br 97104257 TYIYVRYZVAQKDM-UHFFFAOYSA-N 437.319 2.764 0 40 IFAB O=C(OCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007756 IRUGCYHLQWBKIW-FIKGOQFSSA-N 429.494 2.743 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 101165959 SNRIGVKPWHHTOH-DLBZAZTESA-N 448.266 2.934 0 40 IFAB CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102085667 VFKSJBKTHFNPEF-QUNVFRMTSA-N 436.508 2.880 0 40 IFAB O=C(O)[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)c1ccc(O)cc1 102674162 HPOJIXKMQZIEKG-LDBYXDLTSA-N 435.480 2.851 0 40 IFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 109007756 HQFJQXMCDAKBOI-CLCXKQKWSA-N 425.520 2.723 0 40 IFAB O=C1CN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2N1 225040624 UYDVAARYNGJIAM-UHFFFAOYSA-N 449.901 2.591 0 40 IFAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1Cl 225599397 BVXLNZIXTUBFTI-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@H]4CCCO4)o3)cc2)C1 252427592 LZDURJFBXFJCPQ-JKIFEVAISA-N 434.518 2.840 0 40 IFAB COc1cccc(-c2cc(C(=O)N3CC(Oc4cc(C)n(C5CC5)c(=O)c4)C3)n(C)n2)c1 252489804 KBAZXNGITPFXIH-UHFFFAOYSA-N 434.496 2.804 0 40 IFAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cn2cncn2)CC1 257259451 KYLGBVIGCUQKLZ-UHFFFAOYSA-N 446.555 2.716 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3ccc(OC)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306124956 CDFQHECLKIXGQL-URXFXBBRSA-N 426.561 2.937 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408654933 GZZHJIRSSASQPW-QPOHIBMRSA-N 442.512 2.623 0 40 IFAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)c(OCC)c1 409217160 SRMMIOFGAMAJAF-PMFHANACSA-N 434.514 2.816 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCc1cccc(Cl)c1 507948733 KNNUZMPPVILEHK-UHFFFAOYSA-N 446.978 2.973 0 40 IFAB COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(F)cc1 2724047 ADJPXNSMASOLJO-UHFFFAOYSA-N 430.461 2.610 0 40 IFAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1OC 3284625 DXIVZYXTTYGXNB-MDZDMXLPSA-N 430.482 2.548 0 40 IFAB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1ccc2c(c1)OCO2 3289052 CPZISAFOVKCGOS-UHFFFAOYSA-N 443.415 2.910 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2Br)cc1 3510454 LCQNCTFIRGGXEQ-UHFFFAOYSA-N 431.283 2.856 0 40 IFAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917278 JYXREXTYYPOUDU-AUUYWEPGSA-N 425.462 2.534 0 40 IFAB O=C(CCCc1ccccc1)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016722 TXSGXCGNEFQCGW-UHFFFAOYSA-N 433.487 2.920 0 40 IFAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c2ccccc21 9157783 TYLYLCFWVGQRSU-UHFFFAOYSA-N 433.464 2.902 0 40 IFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 9253545 OAEFQXHIVGVLMP-OAHLLOKOSA-N 434.514 2.869 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(F)cc3)C2)c1 9352292 GYHPLHFEFZNVHA-SFHVURJKSA-N 433.461 2.740 0 40 IFAB COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)o1 9596545 QRELNLBZAQBOMI-UHFFFAOYSA-N 432.420 2.592 0 40 IFAB Cc1cc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)no1 9603329 UTRPQWKEGJVFQX-UHFFFAOYSA-N 434.383 2.973 0 40 IFAB O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 9640251 QOLIYUHQECAMBA-UHFFFAOYSA-N 435.590 2.760 0 40 IFAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)n2n1 9647353 VXFHPEZEGSNUKO-WBVHZDCISA-N 444.582 2.797 0 40 IFAB COc1cccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)c1 9761347 QKLMRHFZRDLKGF-UHFFFAOYSA-N 425.466 2.743 0 40 IFAB O=C(N[C@@H](c1ccccc1)c1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9782481 DUENTHFPTNOKEI-NRFANRHFSA-N 426.494 2.820 0 40 IFAB CCc1ccc2c(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)cc(=O)oc2c1 10745519 NSNCSIFCYVKSCE-LFVRLGFBSA-N 426.469 2.899 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 10905426 CFTOFXSYPXJCPC-INIZCTEOSA-N 444.532 2.671 0 40 IFAB O=C(c1ccco1)N1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 11856786 XYYWLNTYYUBLKY-UHFFFAOYSA-N 426.400 2.549 0 40 IFAB COc1ccc2c(C)c(CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c(=O)oc2c1 11866852 JTPWJULERQEDGX-HXUWFJFHSA-N 434.448 2.946 0 40 IFAB biogenic CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2[nH]1 12520368 ABMRJFLYMDOADY-UHFFFAOYSA-N 433.559 2.610 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)NCC(=O)Nc1ccccc1Br 12685634 WWEONHWWDMYWQJ-UHFFFAOYSA-N 425.304 2.611 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 12768186 OVKZKAHBYOTBAS-UHFFFAOYSA-N 438.933 2.512 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1C 12778332 NFDXRPVCQGQION-UHFFFAOYSA-N 433.530 2.523 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 12850790 FFXHBQJHUGPIKW-OAHLLOKOSA-N 431.436 2.780 0 40 IFAB COc1cccc(NC(=O)[C@@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 13548485 FGYQCTPAKGJCAW-MRXNPFEDSA-N 449.511 2.671 0 40 IFAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](CSC)C(=O)O)c(C)c13)CCC(C)(C)O2 13549490 RGEWPFJMSSEWIA-CQSZACIVSA-N 449.525 2.689 0 40 IFAB biogenic COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 13632109 NYDJSFPWBYKXCZ-UHFFFAOYSA-N 448.516 2.817 0 40 IFAB O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 14944986 UMWHVBTZIYRUQL-VDNWNZSNSA-N 425.847 2.910 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCn1c(=O)oc2ccccc21 15712742 XDDVFIRQKDJSGV-UHFFFAOYSA-N 443.525 2.604 0 40 IFAB CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3)s2)n1 16751409 PDKWJKDRKCIRJN-UHFFFAOYSA-N 441.947 2.930 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 17126130 BXTKFJOTZPMZLX-UHFFFAOYSA-N 432.505 2.917 0 40 IFAB CC(=O)OCC(C)(COC(C)=O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17250956 HHQBIFUBJNKSFA-MYNGYRLFSA-N 447.487 2.764 0 40 IFAB O=C(C1CCOCC1)N1CCc2nc([C@@H]3CCCN(C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 19014468 GBINGBIZGNILAJ-AZUAARDMSA-N 440.588 2.617 0 40 IFAB Cc1ccc2nc([C@H]3CCCN3C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)[nH]c2c1 19221516 LDFXRNRXQRPUMW-GOSISDBHSA-N 438.509 2.770 0 40 IFAB COc1cccc(CN2C[C@@H](c3c(F)cccc3F)[C@@]3(COCCC(=O)N3)C2)c1OC 19568100 VJJZCDXFIWERFT-HJPURHCSSA-N 432.467 2.857 0 40 IFAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCN(C(=O)C(C)(C)O)C4)nc32)c1 19695948 CYDDPVLRAZNCKZ-IBGZPJMESA-N 436.556 2.702 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccccc1 20328309 NEPLVAUHMRCQIE-SFHVURJKSA-N 434.901 2.985 0 40 IFAB O[C@@H](COC[C@H]1COc2ccccc2O1)CN1CCN(Cc2ccc(Cl)cc2)CC1 22030610 FQXSWLMJBJZVIL-RTWAWAEBSA-N 432.948 2.675 0 40 IFAB COc1ccccc1N(CC(=O)NCCCc1ccc(OC(C)C)cc1)S(C)(=O)=O 22362594 NWTHVLGLTVYOSR-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(Cl)c3c(c2)OCCCO3)c1 22413253 HKONKAMPBQHVTL-UHFFFAOYSA-N 426.922 2.742 0 40 IFAB COCCNC(=O)Cn1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CSC2 23139016 HUBIWGAXEVDRPB-UHFFFAOYSA-N 440.525 2.563 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)CCS3)C1=O 23945728 YMVOYNQEVHXCCF-QFIPXVFZSA-N 438.509 2.709 0 40 IFAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCN(Cc2cccc3ccccc23)CC1 24602098 OUHBJMWOJLWDJY-UHFFFAOYSA-N 430.487 2.977 0 40 IFAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110741 BIVBOZYUHGRIAT-HNNXBMFYSA-N 448.416 2.699 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1OCC(N)=O 29477472 CQJSUQFVAHOISI-QGZVFWFLSA-N 426.469 2.698 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30947430 KEPBNTRFOSXBTO-IBGZPJMESA-N 445.560 2.877 0 40 IFAB COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O 32808828 PFJHEJQCHBJBSE-QGZVFWFLSA-N 448.523 2.863 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)CC1 36801119 ZPWDHNWFPIVSKR-GFCCVEGCSA-N 425.411 2.722 0 40 IFAB Cn1cccc(C(=O)N2CCC(CNC(=O)C3(c4cccs4)CCCC3)CC2)c1=O 44001000 UATDRWBCQZLOJY-UHFFFAOYSA-N 427.570 2.927 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(Cl)c1 44940205 FHBDMAYNOBSPIS-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 58066931 RMOPJBDNFBKYJE-OAQYLSRUSA-N 447.495 2.935 0 40 IFAB Cc1c(NC(=O)[C@@H](C)Cn2nc(-c3ccco3)ccc2=O)c(=O)n(-c2ccccc2)n1C 61984054 BDGGQFVJUWNLSO-HNNXBMFYSA-N 433.468 2.576 0 40 IFAB O=C(NC1CC1)c1nnn(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1 71000851 IXPROURMIGJNFY-UHFFFAOYSA-N 427.262 2.569 0 40 IFAB CN1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)c4ccco4)C3)n2)CC1 72347983 CXUXBHXZSNKKMI-IBGZPJMESA-N 432.528 2.903 0 40 IFAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 72350146 FXUIEJJQIQAOMF-LJQANCHMSA-N 426.542 2.851 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)CCn3ccnc3C(C)C)CC1)CNC2=O 72393336 OTLVBIWPHVTEAS-UHFFFAOYSA-N 426.517 2.589 0 40 IFAB COC(=O)c1ccsc1N1CC[C@@H](N2CCC(NC(=O)c3ccccc3C)CC2)C1=O 78953921 WUVPQEBRXBSXGW-LJQANCHMSA-N 441.553 2.843 0 40 IFAB COc1ccc(N(C(C)=O)C2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 100188824 IISKVXNHYKMVPE-QFIPXVFZSA-N 439.487 2.984 0 40 IFAB O=C(Nc1nccs1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 206346261 IRXJZLUOMANHDG-MJGOQNOKSA-N 434.521 2.862 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220268675 WFALCACJFPBSMX-INIZCTEOSA-N 434.558 2.780 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1NC(C)=O 223788487 LWOXNQMYNVBQHE-UHFFFAOYSA-N 433.530 2.927 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1ccc(N2CCCC2)cc1 224929001 XOHWZIDDNJNDED-UHFFFAOYSA-N 442.585 2.784 0 40 IFAB COc1cccc(N(CCCC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 225672306 AGNCACWNYVUWHB-UHFFFAOYSA-N 442.541 2.744 0 40 IFAB O=C(Cc1c(F)cccc1Cl)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 252482166 CZWJYQAFWUKWSW-UHFFFAOYSA-N 427.827 2.542 0 40 IFAB COc1cccc2c1OC1(CCN(S(=O)(=O)c3cn(C)cn3)CC1)[C@H]1CCCO[C@H]21 257225782 FHUBPTZHYUEJTI-QFBILLFUSA-N 433.530 2.512 0 40 IFAB Cc1nccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 257256639 KMIDRLVSJNGKCC-NRFANRHFSA-N 445.470 2.805 0 40 IFAB O=C(NCC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)c1cncc(O)c1 257315786 VCTGNQFMLXHONQ-HXUWFJFHSA-N 438.459 2.989 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)[C@@H]4CCc5ccccc5O4)CC3)n2)n1 1775970830 SGTGLGZZFYCCKM-NRFANRHFSA-N 433.512 2.603 0 40 IFAB Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 656177 OQPWGCQLMFPULR-UHFFFAOYSA-N 448.932 2.543 0 40 IFAB CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3CCC[C@@H](C)C3)nnc12 1325934 LBJQVZAYMXTTMV-OAHLLOKOSA-N 428.562 2.559 0 40 IFAB Cc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)s1 1347054 YMDARCOSSOLZOZ-NSHDSACASA-N 434.465 2.905 0 40 IFAB COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC4)CC(=O)N32)cc1 2122714 FMGUJKLXQXGZDI-NZQKXSOJSA-N 429.476 2.802 0 40 IFAB biogenic O=C(OCC(=O)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 3273452 PBDLLGFWWDOSSU-UHFFFAOYSA-N 448.928 2.871 0 40 IFAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 8670788 FJCGBIVYBXEJJO-KRWDZBQOSA-N 429.567 2.674 0 40 IFAB COc1cc2c(cc1OC)-c1cc(N3CCN(c4ccc(F)cc4)CC3)nc(=O)n1CC2 9089822 DCXNXORIJUQPED-UHFFFAOYSA-N 436.487 2.949 0 40 IFAB CCOC(=O)c1sc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C(=O)OCC)c1C 9284172 FAAWHNVEIAPYGB-UHFFFAOYSA-N 443.485 2.702 0 40 IFAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1OC 9302941 ASIHLVQFFIPHOH-UHFFFAOYSA-N 444.488 2.876 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 9518558 NAMHFPSXONJKSA-UHFFFAOYSA-N 426.454 2.502 0 40 IFAB CC(C)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 9613028 ZZPGFQOIQXFLFW-INIZCTEOSA-N 427.476 2.968 0 40 IFAB CCN(CC)CCn1c(NC(=O)c2ccc(S(=O)(=O)NC)cc2)nc2ccccc21 11559935 DXMHZMVPUSPECR-UHFFFAOYSA-N 429.546 2.539 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2CCC)cc1 11845290 IMIRDQLXIWAEIC-UHFFFAOYSA-N 440.500 2.658 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3N3CCOCC3)C2)s1 12522439 VNIZFFLWAVGDFU-QGZVFWFLSA-N 449.598 2.933 0 40 IFAB Cc1ccc(CNC(=O)NCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 12755877 UIEQRMHSFOTXOE-UHFFFAOYSA-N 436.434 2.910 0 40 IFAB Cc1cc(Br)ccc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 12776626 ZJTFGTCFGVDNJE-UHFFFAOYSA-N 428.286 2.768 0 40 IFAB CCc1cccc2c(C(=O)COC(=O)c3ccc(CCNS(C)(=O)=O)s3)c[nH]c12 12847684 GKGBLFYPZAXXMH-UHFFFAOYSA-N 434.539 2.923 0 40 IFAB CCCOc1ccc(OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 13010752 NOIOOPOPXUNENK-UHFFFAOYSA-N 449.525 2.653 0 40 IFAB Cc1ccc(C)c(N([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 13677260 VTHCWGIRBHRZIG-FQEVSTJZSA-N 429.586 2.802 0 40 IFAB O=C(CCN1C(=O)Cc2ccccc2C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 14125224 QHLJZHVYZZSMAZ-UHFFFAOYSA-N 448.548 2.556 0 40 IFAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1C 15245295 HGGKFARIOZHVIN-GAJHUEQPSA-N 426.469 2.547 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)NC3CCCCC3)s2)cc1 15882703 KAANUEHJXOJPBQ-UHFFFAOYSA-N 434.547 2.822 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 17064990 IYBXQELHNRPAOM-HNNXBMFYSA-N 432.542 2.979 0 40 IFAB CCn1c(CN2CCC3(CC2)CN(C(=O)c2cccs2)NC(=O)O3)cnc1SC 19524180 BQRMMFASDUYZQF-UHFFFAOYSA-N 435.575 2.818 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)cn1 19525010 UXIZOLISURBHEU-TYNCELHUSA-N 432.472 2.585 0 40 IFAB COc1cccc(CN2CCC[C@H](N3C(=O)C4(CCN(CC(C)C)CC4)N=C3O)C2)c1 19699737 FBDXXVCLTIQKEL-FQEVSTJZSA-N 428.577 2.906 0 40 IFAB COc1ccc(CN2CCCc3c(C)nc([C@H]4CCCN(S(C)(=O)=O)C4)nc32)cc1 19706714 WAIALHUYVLICHG-SFHVURJKSA-N 430.574 2.885 0 40 IFAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(NC(C)=O)cc2)n2c1nc1ccccc12 20103410 UVYLTSPSFNNJJI-FQEVSTJZSA-N 435.484 2.948 0 40 IFAB O=c1c2c3c(sc2n(CCN2CCOCC2)c(=O)n1Cc1ccccc1)CCCCC3 20533390 KZSNKRHIRYBSDO-UHFFFAOYSA-N 439.581 2.874 0 40 IFAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 21533833 AGVMBOJJCSNWQL-UHFFFAOYSA-N 443.916 2.763 0 40 IFAB CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 22278429 VWZMAVPANUQSDY-UHFFFAOYSA-N 433.530 2.717 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)c(Cl)c1 22528449 XXHHMTUPGJWLBU-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(C(=O)N2CCOCC2)CC1 24251910 FPMHGBONYXAWSC-ZDUSSCGKSA-N 448.873 2.756 0 40 IFAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(CCN2CCCC2)CC1 25049281 ARSOOJVPBUXGNR-UHFFFAOYSA-N 444.583 2.847 0 40 IFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1nc2ccccc2n1C(F)F 25440963 UNZSQXSULDJUBG-UHFFFAOYSA-N 448.451 2.994 0 40 IFAB CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c2ccccc2O1 32810487 NKMYHLINBRURQA-NRFANRHFSA-N 446.507 2.619 0 40 IFAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1 35590046 PMCOJIJTKVQDMZ-UHFFFAOYSA-N 429.483 2.849 0 40 IFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3cccs3)CC2)c2ccc(F)cc21 36358978 FNHOQKVDHFJFQD-HXUWFJFHSA-N 431.489 2.870 0 40 IFAB C[C@H]1CN(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C[C@H](C)O1 36391745 MWGSFESCWRAPKO-STQMWFEESA-N 426.926 2.708 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccccc2Cl)Oc2ccccc21 38837490 NSSMPOBIFISTNA-SFHVURJKSA-N 440.974 2.917 0 40 IFAB O=S(=O)(c1ccc(CNCc2ccc(-n3cncn3)c(F)c2)cc1)N1CCCCC1 40040710 FCKXGSVWORYTMY-UHFFFAOYSA-N 429.521 2.871 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 40071956 NBHFAMUGCIIAKD-VWLOTQADSA-N 449.507 2.805 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1ccccc1Br 41157685 BENDOUGOBOACGP-GOSISDBHSA-N 447.329 2.860 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 56998157 AOLWPHSCDQGXKY-QZTJIDSGSA-N 438.908 2.502 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1 57507130 DRRUXDLSJUTANP-UHFFFAOYSA-N 444.542 2.612 0 40 IFAB O=S(=O)(Cc1csc(COc2ccc(F)cc2)n1)Cc1nnnn1-c1ccccc1 58014108 OBJRYWJBIAQHRV-UHFFFAOYSA-N 445.501 2.952 0 40 IFAB O=C(c1ccc(CN2CCCCC2)o1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325692 LOIDHEKJIHJWHB-UHFFFAOYSA-N 444.557 2.602 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)C[C@@H]3C[C@H](C(C)=O)C3(C)C)CC1)CNC2=O 72393379 DXBCRZDYAAPJJO-QFBILLFUSA-N 428.529 2.820 0 40 IFAB COCCN(CC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1)C(=O)OC(C)(C)C 78971582 CYWLYJNJIBAVQO-LJQANCHMSA-N 433.549 2.681 0 40 IFAB Cc1oc(C)c(C(=O)O[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1Br 84008222 FCRJTNWWCKGJAU-WFASDCNBSA-N 429.311 2.564 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]3C)CC2)c1 89672721 CNXCVJQZDWAQGF-PMACEKPBSA-N 430.593 2.879 0 40 IFAB COc1cccc(CC(=O)NC[C@H]2CSCCN2C(=O)Cc2cccc(OC)c2)c1 95458449 YTPFRXUMEMZIOQ-IBGZPJMESA-N 428.554 2.549 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 96097154 GJKJUVJILLOGHF-UHFFFAOYSA-N 440.525 2.991 0 40 IFAB O=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2ncccc2Br)CC1 96102935 YMBFRGQFIJJWCZ-UHFFFAOYSA-N 429.278 2.503 0 40 IFAB CN(C)c1nccc(N2CCC3(CC2)CN(C(=O)c2ccnnc2)Cc2ccccc23)n1 96242644 ISCINRHWACTSEZ-UHFFFAOYSA-N 429.528 2.527 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 96319867 CQKZVQOCGPLHRK-IAGOWNOFSA-N 448.266 2.934 0 40 IFAB CSC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102180234 DSWVHOHJQDXEKL-SOLBZPMBSA-N 432.542 2.692 0 40 IFAB CCOc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 224266704 YEJWPZBSZADGGI-UHFFFAOYSA-N 426.922 2.798 0 40 IFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1OC 225451336 RMWQNXYVMHUUIL-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB O=C(COc1ccc(CN2CCOCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257201723 AITVQXXZIXASIV-HSZRJFAPSA-N 447.539 2.842 0 40 IFAB O=C1N[C@@H](CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCC3)C2)c2ccccc21 257208182 BLBRTRCBEPDUTN-JXFKEZNVSA-N 435.528 2.617 0 40 IFAB Cc1nc2ccc(C(=O)N(C)C[C@]3(O)CCCN(c4ccnc5cccnc45)C3)cc2[nH]1 257282183 OSSIDZCHEJKBEW-XMMPIXPASA-N 430.512 2.918 0 40 IFAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1 257301536 RYWUDAWDZGEFLA-JOCHJYFZSA-N 438.576 2.985 0 40 IFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)Oc2ccccc21 260800807 XWXVQPPUPASFGM-MRXNPFEDSA-N 430.511 2.761 0 40 IFAB CCOc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1 408627888 QZGBIWICDAEUNB-UHFFFAOYSA-N 442.541 2.684 0 40 IFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(CC)cc3)CC2=O)cc1 408651014 CRQLVMYRCHGPHH-GOSISDBHSA-N 438.480 2.961 0 40 IFAB CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)cc1 409158147 KJKZPHKYZTVFBW-UHFFFAOYSA-N 439.541 2.804 0 40 IFAB CCN1C(=O)N/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C1=O 409231941 GKHCYGWWSSFBSP-KPKJPENVSA-N 430.242 3.000 0 40 IFAB O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 532266109 XMDNWFVUBYESJF-MZKRTTBSSA-N 429.524 2.749 0 40 IFAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)C[C@H](N2CC[C@@H](n3cncn3)C2)C1=O 681590231 GDBJTFDCHWXACX-XLIONFOSSA-N 449.898 2.741 0 40 IFAB Cc1ccc(-n2nc(C(=O)NCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)c3c2CCC3)cc1 1115937489 NTZWGPHDYQFPHD-RUZDIDTESA-N 443.507 2.654 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)CC3(c4oc(C)cc(=O)c4O)CCOCC3)c2c1 1547138762 RGQBEZDWXCWQGO-UHFFFAOYSA-N 440.496 2.941 0 40 IFAB biogenic Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775969283 ISZLQHJSDQOIPR-CQSZACIVSA-N 432.468 2.930 0 40 IFAB Cc1ccsc1S(=O)(=O)N1CCC2(CC1)CN(CC(C)C)C[C@]21CCN(C)C1=O 2055795901 SCNSYJFATBYMJL-NRFANRHFSA-N 439.647 2.648 0 40 IFAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 2805270 FCNLHYASNWGESM-UHFFFAOYSA-N 442.944 2.951 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nc(N)c3nc[nH]c3n2)sc2c1CCCC2 3087873 RQQQZVDTYVIXCQ-UHFFFAOYSA-N 432.531 2.783 0 40 IFAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1 3291878 KHSFCYJYFGOADA-UHFFFAOYSA-N 432.473 2.851 0 40 IFAB O=C(/C=C/c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 6244401 KDBMWACETLRQAS-FMIVXFBMSA-N 425.485 2.920 0 40 IFAB CCc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 8708915 JBGDGPNNUPMDFE-UHFFFAOYSA-N 448.571 2.804 0 40 IFAB NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)CC1 8810434 IUKTYLJAHHFGDU-UHFFFAOYSA-N 439.896 2.617 0 40 IFAB COc1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 9129558 IIEBDKLYWIKYPU-BSOLYCLYSA-N 429.904 2.802 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 9469530 JGAKSAIEKKKORL-UHFFFAOYSA-N 429.826 2.878 0 40 IFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O 9512426 KUVXYLYSUNSDPR-CMJOXMDJSA-N 438.484 2.649 0 40 IFAB O=C1C[C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)CN1Cc1ccccc1Cl 9516314 KABRWZZWTFDTBW-INIZCTEOSA-N 431.945 2.735 0 40 IFAB CCc1cccc(CC)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 9586528 HTQAFSXMKXPCNG-UHFFFAOYSA-N 432.542 2.888 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 9743600 PURRXTKPBWFYKF-IBGZPJMESA-N 443.569 2.992 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@H](c2ccccc2)n2nnnc2N1 10231977 SGKQOYZHISWCNY-INIZCTEOSA-N 440.257 2.761 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 12573261 QPABWLVOTGMAAQ-LBPRGKRZSA-N 445.526 2.973 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)n4c(=O)oc5ccccc54)CC3)n2)cc1 12770690 JUKXCEGHOAKNBX-KRWDZBQOSA-N 447.495 2.858 0 40 IFAB Cc1c(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 12886286 KGEAEQZEWHGABO-UHFFFAOYSA-N 428.577 2.639 0 40 IFAB COc1cccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 12999528 JWCQBFSFMWROGK-UHFFFAOYSA-N 434.422 2.685 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3nc(O)c4ccc(Cl)cc4n3)CC2)cc1 13020023 RRZJBYDFLMQJHC-UHFFFAOYSA-N 448.932 2.504 0 40 IFAB O=C(CCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 13113252 SLGIXSMFNHGJRZ-UHFFFAOYSA-N 443.388 2.976 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl 13565493 CCRHYVMSAQRRPE-UHFFFAOYSA-N 431.297 2.805 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc5c(c4)OCO5)nn3)CC2)cc1OC 13658808 NPBYSBYDRSFLJH-UHFFFAOYSA-N 448.479 2.852 0 40 IFAB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16021195 CAJIAIMMSHCSFM-XWQURZDVSA-N 425.435 2.541 0 40 IFAB O=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 16045461 GRLVVYSMMKRNDO-UHFFFAOYSA-N 442.585 2.622 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(OC)cc2)cc1Cl 16692530 FSBPXXZZRSYZMJ-UHFFFAOYSA-N 440.949 2.727 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 17308111 VLSKSRLYYIVMPR-UHFFFAOYSA-N 433.917 2.941 0 40 IFAB Cc1ccc(-n2ncc3c2N(CC(=O)NCc2cccc(F)c2)C(=O)N2CCN=C32)cc1 19213435 XAXMIEFOZYZBDX-UHFFFAOYSA-N 432.459 2.638 0 40 IFAB COCCn1nnnc1[C@H](c1cccs1)N1CCN(c2nc3ccccc3s2)CC1 19594162 NRKGJWMEXHILQG-SFHVURJKSA-N 441.586 2.902 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)ncc1C(=O)NCc1ccc(F)cc1 19765478 AFXRDTBVDXAIPL-GOSISDBHSA-N 448.502 2.851 0 40 IFAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(N3CCOCC3)nc2)cc1 22139808 PAXRUXBAKUHNOA-FQEVSTJZSA-N 427.501 2.740 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccccc2OC)c2c(O)cc(C)n(CC)c2=O)CC1 22696936 BMBQCWGBHBFWPS-NRFANRHFSA-N 429.517 2.754 0 40 IFAB COc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4OC)nnc3nc2O)cc1 22720549 WVEBJSSFJSFGGH-UHFFFAOYSA-N 438.469 2.640 0 40 IFAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)c2ccccc2n1 22766329 CPAZGKLGQUHPGE-NRFANRHFSA-N 437.569 2.648 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCN(C)CC2)cc1 22795549 MHXZYTYSSCZMKQ-FQEVSTJZSA-N 448.926 2.531 0 40 IFAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854125 GAJGUKGNUWVNAB-KRWDZBQOSA-N 430.530 2.996 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24609075 VKXDKRTYPACQFE-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB O=C(COc1ccccc1CNC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCCC1 25262317 QNVFYIIRTVSKAC-HSZRJFAPSA-N 441.547 2.990 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@H](c1ccsc1)N(C)C 25331986 CNSGACNUNGLQJM-CQSZACIVSA-N 426.468 2.783 0 40 IFAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCO1 26398689 NMSVXUCSVPNQQU-MLGOLLRUSA-N 436.361 2.577 0 40 IFAB CN(C)C(=O)c1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 27480586 KQPHUZFQAXXFLD-UHFFFAOYSA-N 449.477 2.953 0 40 IFAB Cc1ccc(Cc2cnc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)s2)cc1F 31956280 UQUODRGYOGAYHU-UHFFFAOYSA-N 432.502 2.618 0 40 IFAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 35289242 BIXDFWFEWCQANX-UHFFFAOYSA-N 437.496 2.797 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nn(C)c2c1Cc1cc(OC)c(OC)cc1-2 36366056 ICEAQJSRYDDPEB-GOSISDBHSA-N 435.480 2.523 0 40 IFAB CCOc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1OCC 44905209 QGZLJCLVSOVXGO-OAQYLSRUSA-N 448.541 2.636 0 40 IFAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 46781914 XKZFDWKDGXVGDA-LJQANCHMSA-N 448.541 2.942 0 40 IFAB C[C@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 57788823 VVOPUXPMYJRHIJ-SFHVURJKSA-N 427.570 2.899 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 58441660 JNQKBVZTZVQWAL-APWZRJJASA-N 433.911 2.694 0 40 IFAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cscn4)CC3)n2)CC1 72335966 JEADLTNNAZVRKL-UHFFFAOYSA-N 449.602 2.593 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1nonc1C 72370349 QAJWDVTXMIDCIX-CQSZACIVSA-N 428.514 2.816 0 40 IFAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cccnc4)CC3)c3ccccc32)CC1 96052951 RJEFCJPQNFBNSH-OAQYLSRUSA-N 432.568 2.907 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(C)c3C)C2=O)cc1Cl 101168881 MEBIIUQNHNSIKG-MOPGFXCFSA-N 441.875 2.897 0 40 IFAB COc1ccccc1N(CCCC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 222586437 BHFWWRLNJCJMJB-UHFFFAOYSA-N 444.513 2.608 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1NC(C)=O 223602518 YEAVGIWJSOTNIK-UHFFFAOYSA-N 436.877 2.836 0 40 IFAB Cc1cc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)ccc1N1CCCC1=O 225715865 IIYXTOWPFMABQD-UHFFFAOYSA-N 433.505 2.661 0 40 IFAB Cc1cc(C)c2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)nc2c1 257280197 OJXGVVLDEPIFDA-NHCUHLMSSA-N 445.523 2.610 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(OC)c4)C[C@H]2C3)cc1 306141027 VJHNNBAGNOQEGT-QZTJIDSGSA-N 433.512 2.852 0 40 IFAB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1 408664454 ZRQGNIRPBWPRIO-IBGZPJMESA-N 445.475 2.823 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408670809 XGUYTIZVBDNTGP-BTDZUBADSA-N 438.402 2.607 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 408923393 CHPMPYTXXBBFRM-HNNXBMFYSA-N 426.560 2.882 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 409017113 WRESMWDXZXHWGQ-UHFFFAOYSA-N 426.469 2.981 0 40 IFAB COc1cc([C@@H](CC(=O)NCc2csc(C)n2)c2oc(C)cc(=O)c2O)ccc1O 524729541 XWFYPKBHYDVXLC-OAHLLOKOSA-N 430.482 2.971 0 40 IFAB biogenic Cc1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1Cl 575614933 LHQOAFJOTRIRAP-UHFFFAOYSA-N 431.846 2.838 0 40 IFAB COCC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1 585287440 WUSSFUBAQYSHHJ-QFIPXVFZSA-N 438.952 2.674 0 40 IFAB COc1cc([C@@H](CC(=O)O)c2n(O)c(C)c(C)[n+]2Cc2ccc3c(c2)OCO3)ccc1O 604405235 OESLQABXHORWTB-QGZVFWFLSA-O 441.460 2.728 0 40 IFAB biogenic COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N32)cc(OC)c1OC 2093785 HDSPLXCEIFWXMZ-VGOFRKELSA-N 435.480 2.508 0 40 IFAB biogenic C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1)c1ccccc1 5494529 JURXDQRYEGNLBW-KRWDZBQOSA-N 425.510 2.816 0 40 IFAB COCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6136166 LGRQNIDHFZHSNE-UHFFFAOYSA-N 440.525 2.565 0 40 IFAB Cc1nn(CC(=O)N[C@@H](C)c2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc21 8735140 VZVPDWXXROMXIB-AWEZNQCLSA-N 428.514 2.722 0 40 IFAB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8851072 XQOWQOFQJZYZKW-GFCCVEGCSA-N 438.889 2.521 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)C[C@H](C)O1 9125728 ZPRIMQCHBBWGQF-HOTGVXAUSA-N 438.571 2.741 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)CC1 9134696 BRJYKGSGBWTBBF-OAQYLSRUSA-N 444.553 2.795 0 40 IFAB Cc1ccc(CN(C)C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccccc2)o1 9377432 ZBBYRFMAZIPNOZ-UHFFFAOYSA-N 441.557 2.815 0 40 IFAB CCN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(C)c2)cn3C)CC1 9435530 PEXRUKSAHYFEPS-UHFFFAOYSA-N 443.544 2.961 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(=O)oc3cc4c(cc23)CCC4)c1 9538853 HJMIZMHVWZFEGZ-UHFFFAOYSA-N 428.510 2.522 0 40 IFAB O=C1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccccc2N1 9748161 YIKGPNAOTBXQPC-NTCAYCPXSA-N 425.510 2.684 0 40 IFAB Cc1ccc(C(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 9793771 QPTRVMZSIASOCZ-UHFFFAOYSA-N 430.464 2.916 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc(OC)c2)n2nnnc2N1 10231924 QJQIRASKFIVLHA-KRWDZBQOSA-N 425.832 2.660 0 40 IFAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2 10378175 PFMQDOOOFIWSSI-UHFFFAOYSA-N 446.916 2.970 0 40 IFAB C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F 11364666 GOZUZRHVKYXRDU-HUUCEWRRSA-N 435.525 2.552 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)[nH]c2=O)cc1 12348182 KBRGLOXTOBPDTF-UHFFFAOYSA-N 426.498 2.894 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 12650805 KTVVBNNYEZSZIJ-UHFFFAOYSA-N 440.905 2.769 0 40 IFAB NC(=O)C1CCN(C(=O)C2CCN(Cc3c(F)cccc3Br)CC2)CC1 13880108 ALIPJFWNSADIIL-UHFFFAOYSA-N 426.330 2.524 0 40 IFAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)CC(=O)N3CCOCC3)cc12 14700980 SSEJUWCZTWDQHX-UHFFFAOYSA-N 430.505 2.524 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 15828905 HTVUCCWEYTYJOV-KRWDZBQOSA-N 444.484 2.562 0 40 IFAB CN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 16187594 XXOOQKSBGMUYNG-VMPITWQZSA-N 447.988 2.818 0 40 IFAB COc1ccc(C(c2c(O)nc(C)nc2O)c2c(O)nc(C)nc2O)cc1Br 16363259 XPKYGPUBEHJPSR-UHFFFAOYSA-N 449.261 2.657 0 40 IFAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 16518275 GHEAKICNCILMSU-CQSZACIVSA-N 432.933 2.644 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N 16755736 YMXFCPNYFPWAIO-UHFFFAOYSA-N 426.502 2.665 0 40 IFAB COc1cccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)c1 17050881 SVMDQWAEWMAWDU-UHFFFAOYSA-N 430.526 2.657 0 40 IFAB Cc1nn(C[C@@H](C)C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c(C)c1Br 17096283 KWAFYYMDIKJKKI-RWBAJPLHSA-N 429.212 2.706 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@H](c1ccccc1)c1cccs1 18970214 DFTYCDGIVFLCED-HXUWFJFHSA-N 433.489 2.945 0 40 IFAB NC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccnc(Cl)c32)C1 19332248 OKQNQMYUVMEDSG-CQSZACIVSA-N 442.878 2.784 0 40 IFAB CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)[nH]n2)c1C 19523867 ZSBXKHIQDHMJLG-UHFFFAOYSA-N 438.532 2.873 0 40 IFAB COc1c(C)cccc1C(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN2C(C)=O)n1 19760253 SKAPMIHSCPIROZ-LJQANCHMSA-N 425.533 2.815 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(F)cc1 20609350 ZVFLDMNTYPKGIC-FYXHJSOBSA-N 428.510 2.999 0 40 IFAB NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)sc2c1CCCC2 21447426 FYSVFGSAILVCJA-UHFFFAOYSA-N 436.873 2.903 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NCCNC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 21682724 RBBWVSVHRZATEX-UHFFFAOYSA-N 447.557 2.697 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1 35804822 YHJKICWWUXNAON-UAKAABGRSA-N 449.894 2.974 0 40 IFAB biogenic CSc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 43941755 IJMYLNVWIPKDGN-UHFFFAOYSA-N 441.553 2.781 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 48309432 JMECWIFXTNSHJA-KRWDZBQOSA-N 433.549 2.921 0 40 IFAB Cc1nc(C)c(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)o2)s1 49449861 VDHQNHQVKADXRS-NSHDSACASA-N 439.544 2.663 0 40 IFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cccc(I)c1 65593459 WSENOVURSVUUPN-UHFFFAOYSA-N 447.250 2.728 0 40 IFAB COc1cc(C(=O)OCC(=O)NCc2cccc(Br)c2)cc(OC)c1OC 67197552 ULORRPNMQXTUHN-UHFFFAOYSA-N 438.274 2.948 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)[C@H]2CCCO2)CCO1 72389321 DVSLNTREAMLXIU-QPPBQGQZSA-N 426.488 2.558 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 72394228 MVQDQBDRSBGTBI-CYBMUJFWSA-N 444.962 2.715 0 40 IFAB CCO[C@H](C)c1noc(CN2CCCN(CC(=O)N3CCCc4ccccc43)CC2)n1 84800620 JUGCJWOXIWCFPL-GOSISDBHSA-N 427.549 2.654 0 40 IFAB COC(=O)CC[C@H](Cc1ccccc1)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 95450701 XFFZFBNBVQFRML-LJQANCHMSA-N 447.553 2.930 0 40 IFAB COc1ccc(S(=O)(=O)NCCN[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 95995541 KCPRRVLWHNIZOH-IRXDYDNUSA-N 441.594 2.599 0 40 IFAB CN1C[C@H](NCc2cccnc2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113507 KUYMMQKWBOIAEC-WIYYLYMNSA-N 430.499 2.783 0 40 IFAB biogenic,in-vitro COc1ccc(N2CCC[C@H](C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)C2)nn1 96231877 OZVFBFFWIBOEEH-SFHVURJKSA-N 427.524 2.622 0 40 IFAB O=C(NCCc1ccccn1)[C@H]1C[C@@]2(CO1)CN(C(=O)c1cccnc1)c1ccccc12 96262944 ZYUZCFGQFASXBP-RDGATRHJSA-N 428.492 2.523 0 40 IFAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 98086510 YBUCHFWWUQXWTF-GZTJUZNOSA-N 426.450 2.913 0 40 IFAB Cc1nc2cc([C@@H]3CCCN(C(=O)[C@@H](C)c4n[nH]c(=O)c5ccccc45)C3)nn2c(O)c1C 100137704 JPJXSHZKKAAJOQ-GOEBONIOSA-N 446.511 2.798 0 40 IFAB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 100398774 BSQQNFFTCNJNFQ-RIWFRRHWSA-N 442.471 2.957 0 40 IFAB CO[C@H]1CC[C@H](C(=O)N2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)CC1 100744923 KRUHTMDOTXUALH-MSEWRSJXSA-N 428.533 2.553 0 40 IFAB CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(C(C)=O)cc1)n2CC(=O)OC 100876151 GCTGSZSJGQBBIG-FCQUAONHSA-N 440.477 2.996 0 40 IFAB C[C@@H]1[C@@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)CCC[C@H]1C 105879268 VRULPJNKWFMJKE-WWGRRREGSA-N 425.323 2.663 0 40 IFAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NC[C@H]2CCCO2)cc1 217499935 PQBGPOVYDAHOFD-GOSISDBHSA-N 434.514 2.505 0 40 IFAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222638874 JATIHFZAZNUHCH-GOSISDBHSA-N 445.585 2.785 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 223583512 BCHLIVUPMNASGU-SFHVURJKSA-N 435.524 2.925 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(OC)c(OC)c1OC 224016017 NHZIFIBETBOYQK-UHFFFAOYSA-N 446.319 2.962 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225489209 YXGBZYHQWMEZAB-FQEVSTJZSA-N 439.597 2.997 0 40 IFAB CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)Cn4nc(C)ccc4=O)CCO3)n2)cc1 257241227 HXFAUPPPZXEMOI-QHCPKHFHSA-N 448.523 2.536 0 40 IFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNC(=O)Cc3ccc4c(c3)OCO4)CC2)n1 257249974 JKLXEXLKASSVKH-SAABIXHNSA-N 438.528 2.848 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408877490 VLNJZLQQTPODNR-PHJXOXRPSA-N 449.532 2.828 0 40 IFAB Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(N)=O)CC2=O)cc1 409138125 YYSPFSMUNMCCGJ-CYBMUJFWSA-N 446.301 2.613 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2sc3ccccc3c2=O)sc(C(=O)N(C)C)c1C 532619429 FGDWIEWCSLFUMZ-UHFFFAOYSA-N 447.538 2.950 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ncn(-c4ccccc4)n3)C2)cc1 537852189 YCKTWELNZNZEOT-LJQANCHMSA-N 425.558 2.766 0 40 IFAB COc1cccc2cc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)oc12 585148541 XJFJQIPMDYNMPA-UHFFFAOYSA-N 439.390 2.873 0 40 IFAB COc1ccc(Nc2cc(NCc3cccc(CS(N)(=O)=O)c3)ncn2)c(OC)c1 679704227 BSPLGTRYHNCYDN-UHFFFAOYSA-N 429.502 2.638 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)C[C@H](c1ccsc1)n1cccc1)[C@@H](C(N)=O)C2 1565519023 CLTIPNWMUFLWQO-RTBURBONSA-N 439.537 2.985 0 40 IFAB biogenic Cn1c(N2C[C@H]3CN(C(=O)c4cncc(Br)c4)C[C@H]3C2)nc2ccccc21 1888901164 GSPZETZKTZDUHS-GASCZTMLSA-N 426.318 2.939 0 40 IFAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2129977 HQVRAAHWGUMKGD-BLVKFPJESA-N 436.420 2.559 0 40 IFAB biogenic Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O 3410647 ACZCNTJYAIOUPD-UHFFFAOYSA-N 441.509 2.923 0 40 IFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCN(C(=O)c2ccco2)CC1 3519987 HKMGSNLTBWWGHF-UHFFFAOYSA-N 437.481 2.888 0 40 IFAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 3549551 BIXMLGFUNBMUNR-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB COc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1S(=O)(=O)N1CCOCC1 8774609 ZSEMUVJSAZZWSR-UHFFFAOYSA-N 444.509 2.952 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 8844167 FQFYABWSKVEUKC-GFCCVEGCSA-N 426.498 2.793 0 40 IFAB COc1ccc(N2C[C@H](CNC(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 9039193 HLZPGPYZCPOQKP-AWEZNQCLSA-N 429.473 2.896 0 40 IFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)Nc1ccc(F)cc1Cl 9112312 DRXZKLSXTIAOHM-OAQYLSRUSA-N 445.834 2.570 0 40 IFAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9336137 LSTYMOMUUINRJP-UHFFFAOYSA-N 443.554 2.987 0 40 IFAB COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCCCC1 9631185 GYBDEXMYIXQMPN-UHFFFAOYSA-N 437.562 2.505 0 40 IFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)N1CCN(c2ccccc2)CC1 9828680 WOLQTNGRSFGJIX-UHFFFAOYSA-N 442.566 2.835 0 40 IFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)c4cccc(OC)c4OC)nn23)c1 11693896 SWSDSASXLNBSDE-UHFFFAOYSA-N 449.467 2.626 0 40 IFAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1 11796344 HYQZPOQUELTGTE-UHFFFAOYSA-N 439.940 2.751 0 40 IFAB COc1cc(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)cc(OC)c1OC 12296835 NWFAUAPJGITSEU-UHFFFAOYSA-N 438.484 2.900 0 40 IFAB biogenic COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1N1CCOCC1 12550773 XZHFWCWADXWVLL-UHFFFAOYSA-N 446.935 2.694 0 40 IFAB COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12760707 KLJYIJFVRJSRIH-UHFFFAOYSA-N 442.887 2.912 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 12817052 QHIFIXQOSWJKDF-HXUWFJFHSA-N 449.960 2.608 0 40 IFAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13024155 NWSUIQLRNLGCDJ-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB Cc1nc(SCC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c2c3c(sc2n1)C[C@H](C)CC3 13510574 SCJKFMLCWDDLKT-MRVPVSSYSA-N 431.543 2.540 0 40 IFAB COC(=O)C1CCN(C(=O)c2cc3ccccc3nc2C2=NC(=O)[C@](C)(C(C)C)N2)CC1 13690735 NGPSXHZYASGFMT-DEOSSOPVSA-N 436.512 2.551 0 40 IFAB CSc1nc(C)c(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)n1 14071165 CLQWAYUSRFYCGM-UHFFFAOYSA-N 428.558 2.821 0 40 IFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14094271 YRXSUTOJPAGGSX-UHFFFAOYSA-N 436.946 2.938 0 40 IFAB COc1ccccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12 16841546 RUBIUHNDXOLDMQ-UHFFFAOYSA-N 425.445 2.963 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)CCc2csc3nc(-c4ccccc4)cn23)cc1 16848706 OWYGTRRTRXUWMI-UHFFFAOYSA-N 440.550 2.959 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc2c(c1)OCO2 16955166 YUEFTFWYQVTFFT-UHFFFAOYSA-N 432.498 2.529 0 40 IFAB CC1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 18038208 IISKMPUVCCISBT-HDICACEKSA-N 436.574 2.769 0 40 IFAB CC(=O)N1CCCN(C(=O)c2cc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)no2)CC1 19017648 KUESTHNTKGICOL-GOSISDBHSA-N 442.491 2.528 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(CC)CC3)cc2c1 19522952 IAMOMQQLJXADGQ-QFIPXVFZSA-N 435.576 2.919 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O 19699604 VVFMAGXIEVGGCH-LJQANCHMSA-N 446.592 2.517 0 40 IFAB COc1cc(C)ccc1CN1CCO[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703266 NUBPTTWQLHLYFD-IBGZPJMESA-N 441.553 2.909 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCCN3C)nc2c1CN(C(C)=O)CC2 19710869 CEMOIWYRIFJMOF-JOCHJYFZSA-N 448.571 2.783 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2nccc3ccccc23)ncc1C(=O)N1CCOCC1 19755738 SEXLSNHSRUQVJD-HXUWFJFHSA-N 431.496 2.783 0 40 IFAB O=C(Nc1c(-c2ccccc2)nc2sccn12)C1CCN(c2ccc3nnnn3n2)CC1 22965609 KLOWTESZDFCSEP-UHFFFAOYSA-N 445.512 2.751 0 40 IFAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 25173941 IFMMMJQCEYZCEC-UHFFFAOYSA-N 449.532 2.994 0 40 IFAB CCN(C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 32797214 JACBJQUJVSKVKD-NVXWUHKLSA-N 435.615 2.900 0 40 IFAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCCc1ccc2c(c1)OCCO2 32980844 SKYJKZISOACTGD-UHFFFAOYSA-N 440.525 2.573 0 40 IFAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)o1 35223687 XKCBHCBONGOLBW-MKMNVTDBSA-N 434.382 2.925 0 40 IFAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccc(Cl)cc21 38853829 VVAPXPHWVZOUBO-QGZVFWFLSA-N 438.889 2.667 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CN(C2CC2)[C@@H]2CCCc3ccccc32)cc1 48326170 AHYXLHOPRKNWDN-JOCHJYFZSA-N 427.570 2.535 0 40 IFAB C[C@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4cccc(Br)c4)nc23)C1 49399880 VYVIJKPNBRLOOK-ZDUSSCGKSA-N 445.321 2.529 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(C)cc3)C3=C2COC3=O)c(OC)c1 49402893 CXDZQUVXTDGTKQ-NRFANRHFSA-N 437.452 2.528 0 40 IFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 58109996 RZVUCTKEUMVOKF-KRWDZBQOSA-N 440.523 2.998 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4cc(C)ccc4OC)c(=O)n3c(C)n2)cc1 67226615 JAGUGEBRJBPTCQ-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 72370617 ISCFVWNQHCGXMB-OAHLLOKOSA-N 438.553 2.934 0 40 IFAB Cc1cnc(C(=O)N2CCO[C@@](Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)C2)cn1 72389046 SOZSLXTZYAHIGZ-AREMUKBSSA-N 444.535 2.994 0 40 IFAB COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 95450700 XFFZFBNBVQFRML-IBGZPJMESA-N 447.553 2.930 0 40 IFAB CN1CCN(c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)CC1 95482570 HOBWEUGLVLNXNH-UHFFFAOYSA-N 430.574 2.623 0 40 IFAB COc1ccc(N2CCC[C@@H](C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)C2)nn1 96223786 IELHUGVHXPBDFU-MRXNPFEDSA-N 430.936 2.865 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccco2)C3)cc1 100427233 XHMWDPZTFJRMSJ-QZTJIDSGSA-N 431.514 2.742 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)[P@](=O)(O)CC(C(=O)O)C(=O)O)OCc1ccccc1 210339315 HMYUTAVMRPOHIX-QGZVFWFLSA-N 435.369 2.537 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCSCc3ccco3)s2)cc1 224292020 HWMYLJNSUPICCE-UHFFFAOYSA-N 438.556 2.904 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)Oc2ccccc21 225751586 OVUBHNPAKANHOS-KRWDZBQOSA-N 428.432 2.939 0 40 IFAB O=C(C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)C1)NCc1ccc2c(c1)CCCO2 257217519 CZHZFLHHTSZPNR-GOSISDBHSA-N 433.512 2.613 0 40 IFAB COc1ccc(C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)cc1NCc1ccncc1 257255284 KGXFXFAHWFVDJS-RUZDIDTESA-N 445.523 2.757 0 40 IFAB CCN(CC)CC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 257313912 UUQMDHRGVMLHJT-HXUWFJFHSA-N 435.572 2.922 0 40 IFAB CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCOc1ccccc1-c1ccccc1 554303163 RHKBLFTVZKQQQB-IBGZPJMESA-N 431.558 2.846 0 40 IFAB Cc1nc(C)c(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 585102200 PAGSOSKJXZNMNJ-GHTZIAJQSA-N 437.512 2.714 0 40 IFAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)Cc3coc4cc(C)ccc34)cc2NC1=O 585281500 KJDHGROWSZPOHC-QGZVFWFLSA-N 428.466 2.898 0 40 IFAB CSCC[C@H](N)C(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643588668 JWZCWORJFJEASE-FQEVSTJZSA-N 447.645 2.987 0 40 IFAB C[C@@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCCc2ccccc21 3310721 UQIXBHQIEDKNCD-GFCCVEGCSA-N 435.274 2.683 0 40 IFAB COc1ccc2c(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 3408616 KHGJVKZJUFECJN-UHFFFAOYSA-N 437.496 2.709 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 3504422 JPKZSXIIJOGIJF-UHFFFAOYSA-N 447.557 2.507 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 3554304 FRTKNTHZLKCKCJ-UHFFFAOYSA-N 438.933 2.569 0 40 IFAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)N4CCC(C)CC4)CC3)C2=O)cc1 4718058 NKHXTTWHHYIJQN-OAQYLSRUSA-N 427.545 2.688 0 40 IFAB CCn1c(CCC(=O)Nc2nc3ccccc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 6153600 RXDNAGRCMPLCBI-UHFFFAOYSA-N 440.529 2.754 0 40 IFAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n2)cc1 9129844 UTZKKYJUVYCLHB-UHFFFAOYSA-N 440.506 2.806 0 40 IFAB CCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288705 RBQOKRHOIGYNKU-HNNXBMFYSA-N 433.505 2.896 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)Oc2ccccc21 10009238 MVLXZCNNFHQZLA-IBGZPJMESA-N 445.541 2.771 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)/C=C\c5ccccc5)CC4)ncnc32)cc1 10256345 FIHHQXQUAYXMCY-XFXZXTDPSA-N 425.496 2.881 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccccc4F)nn23)cc1OC 11693935 JALSHGQTOXILJX-UHFFFAOYSA-N 437.431 2.756 0 40 IFAB CCc1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)N4CCCC4)CC3)cc2n1 12160428 JNBQFZWNMAEYNM-UHFFFAOYSA-N 431.484 2.831 0 40 IFAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCCC[C@@H]1CCn1ccnc1 12246478 YCNSQNADCJSOHN-GOSISDBHSA-N 448.556 2.946 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 12276895 FHPNUHPNBWBWNB-UHFFFAOYSA-N 427.505 2.739 0 40 IFAB COc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1S(=O)(=O)NC(C)C 12491534 XYSNRJXDMMVCCQ-UHFFFAOYSA-N 430.530 2.552 0 40 IFAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 12899855 UYUUSCHQMIBSGG-DEOSSOPVSA-N 434.496 2.918 0 40 IFAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12980467 CAPLRBKELKHMGR-UHFFFAOYSA-N 446.573 2.595 0 40 IFAB O=c1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2cc(Cl)c(O)cc2o1 13062931 ZULQLUYSZNEPCD-UHFFFAOYSA-N 448.928 2.800 0 40 IFAB COc1ccc(OC)c(-c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nn2)c1 13663109 AJUZLJJVKFLPNC-UHFFFAOYSA-N 446.554 2.733 0 40 IFAB COc1ccc2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)cc2c1OC 13690905 IWPHATCOYKFHCI-LBPRGKRZSA-N 425.441 2.713 0 40 IFAB COc1ccc(F)cc1COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14246854 KFZYNOPDMQMXMQ-CQSZACIVSA-N 432.473 2.739 0 40 IFAB CC[C@@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 14255089 RIDRGLOYVOUEGB-FQEVSTJZSA-N 430.570 2.950 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)cc1C 15557418 CVTUJDHNAKYXNB-UHFFFAOYSA-N 444.553 2.792 0 40 IFAB COc1ccc([C@H]2N(C(=O)c3cc4nc(C)cc(C)n4n3)CCC[C@]23CCC(=O)N3)cc1 19116628 YAJLVCDRAINCHK-VWNXMTODSA-N 433.512 2.981 0 40 IFAB COc1ccccc1-c1ccc(C[C@]2(C(=O)N(C)C)CCN(C(=O)Cn3cncn3)C2)cc1 19580045 LJAHARJGYRBYHB-RUZDIDTESA-N 447.539 2.503 0 40 IFAB COc1cccc(OCCN2CCN(C(=O)c3cc4cccc(OC)c4oc3=O)CC2)c1 19620017 JXJLOAPVBRNFCN-UHFFFAOYSA-N 438.480 2.647 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 19695225 SPKNSLVVQRZNMW-IBGZPJMESA-N 437.544 2.584 0 40 IFAB COCCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2OC)C(=O)C3)C1 19743795 NVCGLIYTZNJHSW-GOSISDBHSA-N 438.528 2.625 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768681 JWSOYSIHZVCKAW-UHFFFAOYSA-N 444.962 2.612 0 40 IFAB CC(C)[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 22929644 KNAPIDNQJCGDHJ-HSZRJFAPSA-N 434.544 2.965 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)cc2C1=O 23131427 XZZHXTIVFCHMRT-FQEVSTJZSA-N 435.480 2.562 0 40 IFAB CC(C)Cc1nnc(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)s1 23216249 NPVWZCHMFFNKMX-UHFFFAOYSA-N 431.562 2.693 0 40 IFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 24978442 OOJJACZDNLEFIU-UHFFFAOYSA-N 429.450 2.640 0 40 IFAB CCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c2ccccc2c1=O 26061226 ONJQRNAPEUCWGH-UHFFFAOYSA-N 440.525 2.890 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30939764 XXRKZVQTNJSKKR-HXUWFJFHSA-N 445.541 2.772 0 40 IFAB CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)NC)c2)N(C)C)cc1 32733306 GAESAFIXRSEJAE-YNEJIKTKSA-N 445.585 2.598 0 40 IFAB O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccccc1C(=O)N1CCOCC1 40120239 UZYNIXNLHGKVBA-UHFFFAOYSA-N 429.448 2.529 0 40 IFAB Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c(Cl)c1 49409154 RVXITCIXCZHAPI-UHFFFAOYSA-N 437.949 2.869 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1 57489824 VWCXLICGVQNMHZ-UHFFFAOYSA-N 449.488 2.948 0 40 IFAB O=S(=O)(NCc1cccc(F)c1)c1cccc(CNc2cncc(-n3cccn3)n2)c1 58162038 ZLDUSAGXJYCEQE-UHFFFAOYSA-N 438.488 2.892 0 40 IFAB COCCn1nc(C)c(CNC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)c1C 72289374 JHMVSICGBPZPTN-UHFFFAOYSA-N 442.560 2.825 0 40 IFAB CC[C@@](C)(CCCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)C1OCCO1 72306334 XCQLMVTVWUWHAS-RXVVDRJESA-N 444.569 2.814 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)C1CCN(C(C)C)CC1)CC2 72372358 ICXQRJPIMBLXGX-NRFANRHFSA-N 442.608 2.597 0 40 IFAB CNS(=O)(=O)c1cccc(CNc2c(F)cc([N+](=O)[O-])c(N)c2Br)c1 78903778 RRKPEBFEPRDODO-UHFFFAOYSA-N 433.259 2.599 0 40 IFAB COc1cc(NC2CCN(CC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc(OC)c1 79025635 OHIRDJRIRPLWGE-KKSFZXQISA-N 432.565 2.985 0 40 IFAB COC(=O)[C@]1(NC(=O)Cc2ccc(N3CCCC3=O)cc2)CCCN(Cc2ccccc2)C1 79071260 JTHAMERIJLCMFD-SANMLTNESA-N 449.551 2.680 0 40 IFAB CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)Nc3ncc(Br)cc3F)ccc2O1 95444319 ZWMBEOFZAVYGJC-CQSZACIVSA-N 445.266 2.651 0 40 IFAB COc1cc2ncn(CC(=O)NCCSc3ccc(Cl)cc3)c(=O)c2cc1OC 95474002 FVLFELJARVXWIK-UHFFFAOYSA-N 433.917 2.976 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3ccc(-c4ccccn4)n3)n(C)n2)c1 96098914 QHGODFUXXFEMOP-UHFFFAOYSA-N 432.484 2.793 0 40 IFAB CCC(CC)N(c1ccc(C)c(C)c1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 97212574 WSRSKNAMRVYJNQ-UHFFFAOYSA-N 430.530 2.623 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 105117274 JDNMJGGAOGRPRJ-VGOFRKELSA-N 438.553 2.826 0 40 IFAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)ccc1Cl 223861977 WQIDBOQFVPDVBY-UHFFFAOYSA-N 429.878 2.631 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 223996673 NYDUBCIZICIQNS-INIZCTEOSA-N 430.501 2.645 0 40 IFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224243005 YTZQKTYAHQMLFI-CQSZACIVSA-N 426.922 2.553 0 40 IFAB COc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(C)cc2)s1)S(C)(=O)=O 225001420 YQIYKEFGTSYAHC-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB COc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 225537749 JWIIBXAUAYFTAA-GOSISDBHSA-N 434.533 2.984 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3ccc4nsnc4c3)CC2)n[nH]c1=O 225548915 UFWNDKXEMPNZJC-UHFFFAOYSA-N 434.525 2.969 0 40 IFAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 225633377 ADGUZFXRDCFUNX-QWHCGFSZSA-N 436.249 2.772 0 40 IFAB S=C(NCc1ccccc1)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 225927786 JSBPMTZYDFACSU-UHFFFAOYSA-N 439.570 2.741 0 40 IFAB COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)cc1 257231764 GICBRZFIBQGQRQ-LIRRHRJNSA-N 438.933 2.682 0 40 IFAB CN1CCC(C(=O)N(C)[C@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)CC1 257244430 ILHBABQOUJIACC-XPFUAVQFSA-N 444.616 2.784 0 40 IFAB CCn1cc(CN2CCO[C@@H](c3cc(CCOc4ccccc4OC)n(C)n3)C2)cn1 257272458 NCMDZJBBITXLHT-HSZRJFAPSA-N 425.533 2.840 0 40 IFAB Cc1ncsc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257306142 STCHUTDDPKCROY-HFMPRLQTSA-N 442.629 2.670 0 40 IFAB O=C(N1CCOC[C@@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2F)CCOCC1 257333128 YAGSDTQCXCIGBY-SFHVURJKSA-N 438.503 2.634 0 40 IFAB Cc1cc(Nc2cccc(C3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)n2)[nH]n1 257342323 ZODJVYJKQHDVIG-UHFFFAOYSA-N 445.527 2.916 0 40 IFAB CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)C1 408635779 BWIHUCOBWZTFCM-HNNXBMFYSA-N 432.970 2.682 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccccc1OCC 408739220 UHRDINUSYBCOEX-MTGKDYNDSA-N 438.505 2.790 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4cccc(C)n4)n3)CC2)cc1 585176637 ZHKBHVUGAKACIH-UHFFFAOYSA-N 439.541 3.501 0 40 IFAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H](Cc2cnc(Nc3ccccn3)cn2)C1 585291786 GCIZURDRVRFOCL-JBVUFVISSA-N 431.544 3.460 0 40 IFAB O=c1c(=O)n(-c2ccc(F)cc2)ccn1Cc1cn(Cc2ccccc2C(F)(F)F)nn1 1775968387 FIEDANRBJUUEOA-UHFFFAOYSA-N 445.376 2.845 0 40 IFAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1C 8133057 ABKNJUYHOXECBU-WNSKOXEYSA-N 425.485 2.725 0 40 IFAB CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1OC 8853225 YNIZTRQYJKWCOQ-NZQKXSOJSA-N 441.572 2.856 0 40 IFAB COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1OCC(=O)N1CCOCC1 8924222 PBWXJDVHNCKNFA-UHFFFAOYSA-N 442.487 2.877 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC[C@H]3CC3(Cl)Cl)CC2)cc1 9165318 QSEVTXLYEHSMAG-CQSZACIVSA-N 437.414 2.755 0 40 IFAB CCc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)CC1=O 9222668 FPLXZQINUWOZHA-NHCUHLMSSA-N 440.565 2.818 0 40 IFAB COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1OC 9715541 JIORGPGKHWUWMQ-UHFFFAOYSA-N 444.484 2.793 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OS(=O)(=O)c1ccccc1 9761581 PIYQTKJSJUIWJZ-UHFFFAOYSA-N 434.857 2.830 0 40 IFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 9789392 ISNCNAONVMOHRM-UHFFFAOYSA-N 426.893 2.936 0 40 IFAB O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)NC[C@@H](O)c1ccccc1 12389259 FBEFJQHZDPZOQS-HXUWFJFHSA-N 426.904 2.739 0 40 IFAB CC(=O)[C@@H](C)n1c(Br)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 12422029 XKHZMMDFTGDNIH-SECBINFHSA-N 439.697 2.511 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@@H]1c1ccc(C)o1 12738413 OCKZVHUWKRNWAT-MRXNPFEDSA-N 432.506 2.653 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 13500288 KPGTYTQNWTZIKP-HXUWFJFHSA-N 442.564 2.860 0 40 IFAB CCCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O 13847929 GWMCPPRLDDIJKY-IBGZPJMESA-N 443.569 2.795 0 40 IFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 14241409 RBYQXOFEOGCXKL-KRWDZBQOSA-N 429.933 2.721 0 40 IFAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14908145 MCNLBZQAQFAFGY-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB COc1ccc2nc(N3CCN(C(=O)CCS(=O)(=O)c4ccccc4)CC3)sc2c1 15882390 SGXXNPBTJZNQOA-UHFFFAOYSA-N 445.566 2.818 0 40 IFAB O=C1N[C@H](c2ccccc2OC(F)F)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 15906346 OPLFHFWZRUBNGY-XNJGSVPQSA-N 431.317 2.787 0 40 IFAB CN(C(=O)COC(=O)CSc1cccc2cccc(Cl)c12)[C@H]1CCS(=O)(=O)C1 16050884 RIVILGUIGMIXHN-AWEZNQCLSA-N 441.958 2.774 0 40 IFAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 16839898 LWZBGRSHOVOFAW-UHFFFAOYSA-N 437.905 2.572 0 40 IFAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 19020920 BGTHXKQJVAPCER-UYAOXDASSA-N 428.558 2.709 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cn1 19525031 YZHAUWWVERYNDX-OAHLLOKOSA-N 435.550 2.522 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccccc1 19632744 HCCYBOLXZWVINL-VQTJNVASSA-N 440.931 2.868 0 40 IFAB Cc1ccn2cc(C(=O)N3CCC[C@H](c4ncccc4C(=O)N4CCOCC4)C3)nc2c1 19709300 XMVYWWKJFZXFEM-SFHVURJKSA-N 433.512 2.530 0 40 IFAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005652 HERQQPATWJBJHW-LPHOPBHVSA-N 434.558 2.898 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 20043711 PSWFPWQMKXLNCJ-SFHVURJKSA-N 427.636 2.920 0 40 IFAB COC(=O)c1cc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)ccc1Cl 20245820 MJMCXWDKXBMFBP-UHFFFAOYSA-N 425.894 2.622 0 40 IFAB O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20291373 LLEWJCQJNRCKQA-UHFFFAOYSA-N 445.360 2.746 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 22339281 SAVBZRKBVVGBDS-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB COc1cccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 22524310 FFLKGKQDPGUYBR-OAHLLOKOSA-N 434.514 2.894 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 22780836 NDJSQJYOFFRUPK-IRXDYDNUSA-N 429.590 2.818 0 40 IFAB CC(C)[C@@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccc(F)cc1 22848464 ZZXGUYDXZRDROO-UMEGOILYSA-N 446.611 2.761 0 40 IFAB CCN1CCC[C@@H]1CNCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 22922107 LMYJAEMXJWUBOW-HXUWFJFHSA-N 430.574 2.524 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3O)CC2)ccc1C 26525531 DSKJJJCFRDPVSE-UHFFFAOYSA-N 431.558 2.694 0 40 IFAB COc1cc(OC)nc(NS(=O)(=O)c2ccc(NCCC(=O)c3ccccc3)cc2)n1 26959035 BUKGZKZEMSQFCD-UHFFFAOYSA-N 442.497 2.980 0 40 IFAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c12 27811429 UOLNXWGZCXVVAO-UHFFFAOYSA-N 432.484 2.698 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(OC)c1 30750890 CGDPKKOXUOIGMV-KRWDZBQOSA-N 426.878 2.523 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCN(CC(F)(F)F)CC3)CC2)cc1 32932288 FLUCOQTWGLIAGV-UHFFFAOYSA-N 447.523 2.539 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1OCC 39476912 OJANBFDBXAHQDJ-UHFFFAOYSA-N 440.452 2.933 0 40 IFAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)nc1 40059935 VACDJAIJHXXFBD-UHFFFAOYSA-N 432.546 2.875 0 40 IFAB CC(C)Sc1ncccc1C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 40141931 GGQTYTFKTNLFNL-UHFFFAOYSA-N 440.635 2.849 0 40 IFAB COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 55408674 ZGNYLZDVHVDOIU-VQTJNVASSA-N 448.972 2.796 0 40 IFAB O=C(Nc1cccc(-n2cccn2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 57862998 CBYPWXAUDPCEFE-UHFFFAOYSA-N 431.543 2.909 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 58161480 HRQRCWSIOSPSKW-LJQANCHMSA-N 425.489 2.562 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1 61997583 DOWVCTKRIAKAPM-PBQROFAYSA-N 431.492 2.743 0 40 IFAB biogenic CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3)C2)cc1 79112251 BAXKFXKNTQFLND-IBGZPJMESA-N 437.543 2.568 0 40 IFAB O=C(CN1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1)Nc1ccc(OC(F)(F)F)cc1 96888432 DIQMJSQQXIMTLH-IBGZPJMESA-N 449.429 2.672 0 40 IFAB Cc1nc2cc([C@@H]3CCCN(C(=O)[C@H](C)c4n[nH]c(=O)c5ccccc45)C3)nn2c(O)c1C 100137708 JPJXSHZKKAAJOQ-GDBMZVCRSA-N 446.511 2.798 0 40 IFAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Cn1cnc2ccccc2c1=O 102404128 OYXYFRYJXIRLCX-UHFFFAOYSA-N 445.479 2.896 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)CC1 222510212 YOPCHVYZYFIDAA-UHFFFAOYSA-N 437.949 2.707 0 40 IFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCN3CCc4ccccc43)ccc21 225334901 OKFWQBXIMJJAFN-UHFFFAOYSA-N 425.554 2.717 0 40 IFAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225492100 QXKLXMLZZUZXBK-CQSZACIVSA-N 432.527 2.845 0 40 IFAB Cc1onc(C(=O)N2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)c1CN(C)C 257329506 XKGOTSVGNNKLBZ-FQEVSTJZSA-N 425.464 2.854 0 40 IFAB CN([C@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1)S(C)(=O)=O 260800804 XUHQKTPDVRZUDO-FQEVSTJZSA-N 429.542 2.884 0 40 IFAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 260865511 CGMYLSBLFCVLEH-OALUTQOASA-N 445.585 2.785 0 40 IFAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 408709988 KIRFDJLTBCCFFB-UHFFFAOYSA-N 445.475 2.909 0 40 IFAB CN1CCN(C(=O)CCCc2cn[nH]c2)CCOc2ccccc2Oc2ncccc2C1=O 643567092 RUCRAQJIJNVNBO-UHFFFAOYSA-N 449.511 2.913 0 40 IFAB C[C@@H](c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1)n1ccc2ccccc2c1=O 685286161 FSNKHLWNIUSFPB-NPMABZOXSA-N 429.436 2.715 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(C(=O)c1cccnc1)CC2 1549168465 WWTRQNQYXDFGNU-OAQYLSRUSA-N 434.540 2.793 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889224543 ZVWSZMNKACVLPY-PBHICJAKSA-N 439.459 2.935 0 40 IFAB COC(=O)c1csc(N2N=C(c3ccc(OC)cc3OC)C[C@]2(O)C(F)(F)F)n1 8753843 WIYJQIUGIDCJDS-INIZCTEOSA-N 431.392 2.812 0 40 IFAB CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2C)cc1 8754926 CKCBOMDTJUKYBP-CQSZACIVSA-N 441.575 2.556 0 40 IFAB COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 9035657 YOPOCYDMUOCBLI-CYBMUJFWSA-N 439.331 2.789 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nnc(-c2ccccc2Br)o1 9053393 WUZNXKSZALBKDT-UHFFFAOYSA-N 427.280 2.925 0 40 IFAB CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9060195 CCUQGCCOXIQHSM-UHFFFAOYSA-N 428.496 2.536 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9119717 MVZMDRKMADEODX-OAHLLOKOSA-N 449.960 2.751 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)c1 9261418 ZWPVJFODGJKAFW-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 10169171 HZBLYXZQSIFLRI-ZDUSSCGKSA-N 427.457 2.666 0 40 IFAB O=C(COC(=O)c1sccc1S(=O)(=O)N1CCCCC1)Nc1c(F)cccc1F 10569458 AWENLSCFNHLKKL-UHFFFAOYSA-N 444.481 2.996 0 40 IFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCS(=O)(=O)c1ccc(F)cc1 12155564 AMELYIMOUPJSFT-MAUKXSAKSA-N 428.489 2.629 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C1=O)OCO2 12748819 ZMCLWZPEOMUIDY-DEOSSOPVSA-N 449.463 2.512 0 40 IFAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)sc2nc3n(c(=O)c12)CCC3 12820233 YLKCMMZQPGOVIE-AWEZNQCLSA-N 437.521 2.843 0 40 IFAB O=C(NCCCn1ccnc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 13119444 MWVOVGRUZRZOAL-CQSZACIVSA-N 445.372 2.797 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3C(C4=Cc5ccccc5O[C@@H]4C)=NO[C@H]3C2=O)cc1 13627036 MMNWRIGYIGYZRW-YIILKADPSA-N 432.432 2.972 0 40 IFAB COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O 13728446 ALHQOFJOQVBCSN-XMSQKQJNSA-N 426.494 2.645 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 14772789 HNYBXDDRQARHMK-HOTGVXAUSA-N 444.509 2.829 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ncnc3c2cnn3C)CC1 14813277 JPFHKZOOJLZGIF-LBPRGKRZSA-N 434.331 2.819 0 40 IFAB CCOc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OCC 15326755 WLOWKVWLJHWUFX-UHFFFAOYSA-N 432.542 2.914 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)C[C@H]3CC(C)(C)OC3=O)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285466 RZKAVKUWDCMITK-YTQUADARSA-N 439.512 2.528 0 40 IFAB COc1ccc(C(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)c(OC)c1 19288992 YGUDQCSEKISTDP-UHFFFAOYSA-N 435.528 2.894 0 40 IFAB COc1ccccc1C(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19568842 SNGQETXHESHXCQ-RUZDIDTESA-N 431.492 2.696 0 40 IFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)COC[C@H]4CCCCO4)nn3cn2)cc1 19574425 LYWVONJLWXYPAE-MAUKXSAKSA-N 425.489 2.563 0 40 IFAB O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)[C@H](c1ccccc1)N1CCCCC1 19634546 VCXKDZLDDHHOFA-NRFANRHFSA-N 441.553 2.886 0 40 IFAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)CC3)C1 19741402 ZDIAHTKWGARMSK-QGZVFWFLSA-N 426.492 2.756 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 20006864 SLDLQRAYNICMMX-FQEVSTJZSA-N 439.537 2.605 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O 20460333 NMELDJFBDPEBNY-UHFFFAOYSA-N 448.932 2.617 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 20557856 HZFAYIIGHXUOLJ-JOCHJYFZSA-N 438.503 2.819 0 40 IFAB CCOc1ccc(-n2c(=O)[nH]c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 20612184 CDSDPUQZBANSQL-NRFANRHFSA-N 432.480 2.689 0 40 IFAB biogenic CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22332783 YLAKOEIECFIKIN-SFHVURJKSA-N 436.530 2.746 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 23386072 YRUGQZDTCWNHQX-UHFFFAOYSA-N 449.916 2.849 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)ccc21 26203620 JXNCNBJMJPHWFU-UHFFFAOYSA-N 431.456 2.593 0 40 IFAB COc1cccc(NC(=O)CSc2nn3c(=O)c(Cc4ccccc4)nnc3s2)c1 27526522 VJFKLLGUSLSEKB-UHFFFAOYSA-N 439.522 2.876 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)c1 27959243 RPWQHYZTZIZGBK-UHFFFAOYSA-N 429.878 2.631 0 40 IFAB CCOc1ccc(NCC(=O)Nc2ccccc2OC(F)F)cc1S(=O)(=O)N(C)C 29933508 FRCBVTFBLRTRMM-UHFFFAOYSA-N 443.472 2.988 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)c1 31066027 QUKXJXLUWYCBNE-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 34856347 KRQIHWBGPUIWED-IBGZPJMESA-N 427.570 2.669 0 40 IFAB COc1ccc(CNC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)c2ccccc2)cc1 35485245 PTFZJLBSFTZXSK-BJKOFHAPSA-N 429.520 2.883 0 40 IFAB biogenic CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)OCC)C3)C2=O)cc1 37100414 FCYOHSVNGFHIEL-PKOBYXMFSA-N 430.501 2.551 0 40 IFAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1cnccn1 38620174 WDPLNCPQBJKJKL-OAQYLSRUSA-N 449.486 2.638 0 40 IFAB CCCCn1c(N)c(N(CC)Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c(=O)[nH]c1=O 48366941 KZVSYIRQEWTZFG-UHFFFAOYSA-N 440.523 2.759 0 40 IFAB COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N)n2)cc1 57510498 HWZAGUXNRUDNPN-UHFFFAOYSA-N 444.538 2.939 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61342081 YFUVGIGZGRUKPO-UHFFFAOYSA-N 445.950 2.523 0 40 IFAB O=C(C[C@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)O)Nc1ccccc1 71283841 XCZCVXGNMMHPNZ-OAHLLOKOSA-N 436.434 2.952 0 40 IFAB COc1ccc(C(=O)N2CCC[C@H]2c2cc3nc(C)cc(O)n3n2)cc1Cn1cccn1 100138935 JFNBOGWOTOTEGL-IBGZPJMESA-N 432.484 2.974 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccccc1F 101174277 GDAAZRCYTVGVOI-HOTGVXAUSA-N 446.236 2.520 0 40 IFAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)N1CCN(Cc2cccnc2)CC1 101367052 BSKYEHXQVLBPMP-UHFFFAOYSA-N 429.480 2.574 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 101566498 FRXCIXQLQQVDCM-GJZGRUSLSA-N 440.466 2.851 0 40 IFAB CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 113944725 LEXWEJNCEOYAPD-OAHLLOKOSA-N 448.416 2.746 0 40 IFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 223848034 UDQDXGFNHOOQGB-UHFFFAOYSA-N 445.541 2.553 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCOCC1 223874313 OHVGLLZZGJIXIR-UHFFFAOYSA-N 446.569 2.944 0 40 IFAB CC(C)n1c(=O)sc2cc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)ccc21 225168001 WLECYJCDNSEZPW-UHFFFAOYSA-N 445.522 2.817 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225670601 FTVMHACUAUSITQ-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB COc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1OCc1ccccc1 225700938 HZWMFJVHFOZVHJ-LJQANCHMSA-N 438.480 2.787 0 40 IFAB COc1cccc(-c2nnsc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 225767565 JEEDOOMOMXXDNQ-UHFFFAOYSA-N 438.509 2.900 0 40 IFAB O=C(c1cc(-c2cccnc2)on1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 240067792 SCCCPFVJSRFYNO-UHFFFAOYSA-N 431.452 2.810 0 40 IFAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)CCN3C(=O)CCNC3=O)C2)n1 257245801 IRDKTFPYDVPPLK-QGZVFWFLSA-N 436.516 2.567 0 40 IFAB CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CCN4CCOCC4)C3)n2)s1 257342902 ZQOBWSMPQFUMCL-INIZCTEOSA-N 430.578 2.667 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cc1F 390829712 GAXGEFHESDLYQE-QGZVFWFLSA-N 433.548 2.836 0 40 IFAB CCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC 408635456 BNMWCWAJGFLBFS-UHFFFAOYSA-N 426.579 2.870 0 40 IFAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N1 409045835 ITMXOLVVLCTDDW-PHJXOXRPSA-N 434.517 2.807 0 40 IFAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc(Br)cc1 409219208 OFULKVAXOSIKDP-UHFFFAOYSA-N 429.226 2.674 0 40 IFAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 409256065 NSHSSRVONWGJMK-UHFFFAOYSA-N 445.585 2.665 0 40 IFAB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C2)OC(=O)[C@H]1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 504437653 OPYGUEHXILVUGD-BPHLXFMJSA-N 438.568 2.794 0 40 IFAB biogenic O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1CC[C@]2(O)CCCC[C@@H]2C1 604419644 OFFFOCNZAWTYHK-RXMJPHHWSA-N 445.519 2.955 0 40 IFAB biogenic O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1775975669 MAXQKLHCGMEMCZ-UHFFFAOYSA-N 426.464 2.885 0 40 IFAB CC(=O)N1C[C@H](c2cccc(CN(C)C)c2)[C@@H](C(=O)N(C)CCOc2ccc(F)cc2)C1 2037834479 JDBUIKSQMIQSRW-RPWUZVMVSA-N 441.547 2.987 0 40 IFAB O=C(O)c1c(F)c(F)c(-c2c(F)c(F)c(C(=O)O)c(C(=O)O)c2F)c(F)c1C(=O)O 1678680 DUEXNLBVFZOZLO-UHFFFAOYSA-N 438.188 2.981 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1cccc(F)c1 2092561 LHHOIOMJLCOCJN-XFQAVAEZSA-N 426.492 2.779 0 40 IFAB biogenic CCn1c(SC[C@@H]2CCCCO2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 5254492 SNNUFABNGQPDPN-HNNXBMFYSA-N 425.576 2.738 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 7451859 AWLXUSDENRAQPF-LJQANCHMSA-N 425.504 2.574 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCn2c(C)nc3ccccc32)cc1 9379513 YYGFAQUVBMIHBT-NRFANRHFSA-N 426.542 2.623 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 9664882 LLEZITUWXBVQII-KRWDZBQOSA-N 430.526 2.739 0 40 IFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 9674675 YIFYCHUIYSPJQG-IRXDYDNUSA-N 442.273 2.689 0 40 IFAB CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9971548 DEBRKUHIIVXSND-KRWDZBQOSA-N 429.527 2.695 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCCC2)cc1 10429666 QPLVVPMQKKUBKD-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 12443016 UMFGLWOEJDHYCP-UHFFFAOYSA-N 446.533 2.842 0 40 IFAB CCOC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 12497576 OLYMSKIHWOMGRD-SUWCGCSTSA-N 446.500 2.924 0 40 IFAB O=C(COc1ccccc1Br)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 12805097 NOZLPRUBGCSUPU-CYBMUJFWSA-N 428.304 2.637 0 40 IFAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12903086 ABIRAGHRUOIQKW-AWEZNQCLSA-N 432.933 2.644 0 40 IFAB CC(C)(C)NC(=O)CC1(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)CCCC1 12911186 PWYHNOQXSXMEHI-UHFFFAOYSA-N 443.544 2.926 0 40 IFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1 12995305 RVMHZVWBDDDDGT-HNNXBMFYSA-N 427.320 2.670 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 13038558 FSNRHUZPQMPURM-KRWDZBQOSA-N 426.542 2.607 0 40 IFAB Cc1cc(C(=O)CN2C[C@@H](C)C[C@@H](C)C2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 13095286 RQWULUOKLMKSFB-IYBDPMFKSA-N 449.555 2.896 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2ccccc2c1 13114283 LCSGCFPBEYIOGL-UHFFFAOYSA-N 426.494 2.878 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 13133051 IDOKZVLWQAAHJT-DNVCBOLYSA-N 434.514 2.610 0 40 IFAB COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1sc3c(c1C(N)=O)CCC3)CC2 13163357 JNWALABNXIDICB-LBPRGKRZSA-N 429.542 2.738 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](C)c3nnnn3Cc3ccccc3)cc2c1 13510406 CHCALWRKVHHVJW-SFHVURJKSA-N 432.528 2.817 0 40 IFAB CCOCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)s1 13944699 ALDHYAJKZWULKI-CQSZACIVSA-N 443.529 2.594 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)=C2)c1 15860887 JPAGQUIAIQVZQO-QSFXBCCZSA-N 431.558 2.986 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)c1 15884231 MEMPGFMYHDDNML-UHFFFAOYSA-N 429.498 2.827 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nnc(C(F)(F)F)n2C)oc(C)c1C(C)=O 17710697 ALGHRFQXVVLBQE-UHFFFAOYSA-N 434.396 2.845 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc(OC)c2OC)C3)c(OC)n1 19567552 AYEJLTBPPIHKPS-NWMVZANLSA-N 429.517 2.631 0 40 IFAB CC[C@@H](C)S(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19698608 AOFCPBVJFMNZCN-MRXNPFEDSA-N 430.574 2.867 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19740598 ATLZJLQSAWQEEU-IBGZPJMESA-N 446.511 2.976 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)Cn3c(C)cc4ccccc43)C2)ncc1C(=O)N1CCOCC1 19757586 UDLGJAYHYNQHCK-HXUWFJFHSA-N 447.539 2.537 0 40 IFAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccc(Oc4ncccn4)cc3)C2)nc1C 19763581 KGHXZVANYAHUQM-QGZVFWFLSA-N 432.484 2.747 0 40 IFAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 20047352 ADXDAVGSKXQOFJ-LJQANCHMSA-N 448.541 2.821 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccccc1C 20328731 RLAPFFHHGZCBPW-LJQANCHMSA-N 432.473 2.779 0 40 IFAB CCOc1cccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2Cl)S(C)(=O)=O)c1 22393909 UMLAHBQLTIGFSK-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB CN(Cc1ccc(Br)cc1)Cn1nc([C@H]2CCS(=O)(=O)C2)oc1=S 23844297 AWXYWTVHDLAGEK-LBPRGKRZSA-N 432.365 2.960 0 40 IFAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCN(C(=O)N2CCOCC2)CC1 24836063 APNILIFGBQHWMX-UHFFFAOYSA-N 432.524 2.900 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nncn1C1CC1 25060411 GWVLQJZJJZDDMO-UHFFFAOYSA-N 447.561 2.978 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1CCSC1=O 32784690 CMEHGTVAPDLESD-UHFFFAOYSA-N 441.575 2.757 0 40 IFAB CCCCn1c(=O)n(Cc2cc(=O)n3cccc(C)c3n2)c(=O)c2c1ncn2C1CCCC1 32789162 MGNBDELAZLXQCD-UHFFFAOYSA-N 448.527 2.640 0 40 IFAB COc1cc(CCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc(OC)c1OC 32930455 HPPWQGFAHRWUQC-IAGOWNOFSA-N 443.544 2.970 0 40 IFAB Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1Cl 35570573 DWFYTOSMDMEKAT-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)C(C)C 40069385 DDJDZAOQYVEVEX-OAQYLSRUSA-N 445.585 2.753 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCSCc1ccccc1F)O2 44909151 SSHRDVWQIPUNCX-IBGZPJMESA-N 438.546 2.711 0 40 IFAB O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1cccc(C(F)(F)F)c1 49409048 XGLRDHCBTXUSPQ-UHFFFAOYSA-N 443.447 2.680 0 40 IFAB Cc1ccc2c(c1)N(C(=O)Cn1c(=O)n(-c3ccccc3)c(=O)c3sccc31)CCO2 57489549 MWUNVMISYJVHIT-UHFFFAOYSA-N 433.489 2.948 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(OC)c1 58179478 IREJJZPKVKCBCH-HXUWFJFHSA-N 438.572 2.702 0 40 IFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 58379654 AENUCVWCEXPYEQ-NVXWUHKLSA-N 425.510 2.882 0 40 IFAB CN(C)CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257270964 MWITZNGBQDIVFQ-GOSISDBHSA-N 426.439 2.512 0 40 IFAB COc1ncccc1CN1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccccc1)C2=O 306130714 JNPHDWDPXPAZBL-BVAGGSTKSA-N 444.535 2.882 0 40 IFAB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 408671099 YMYBDURHJNUBHF-UHFFFAOYSA-N 445.269 2.789 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)c(OC)c1 408673322 ZYSHPGOMNRTWRK-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)ccc1Cl 409224363 JHXOFXILVJJRFL-UHFFFAOYSA-N 436.873 2.690 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cccc(C)c1C 409370342 PEHKEALUNZBPMU-GOSISDBHSA-N 435.484 2.896 0 40 IFAB C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCOC2(CCOCC2)CC1 546690742 ZJZWFZVKBIGQEB-AWEZNQCLSA-N 441.450 2.651 0 40 IFAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)Cc5cccc(C(F)(F)F)c5)C[C@H]4C3)nn12 1888900840 OZERFYRZCTUWIL-IYBDPMFKSA-N 430.434 2.589 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 624088 QTRQDJNDEKAHHF-SQWSFHKJSA-N 438.480 2.556 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccn2)CC1 3366390 DNYOWORTIJGFOF-UHFFFAOYSA-N 448.548 2.795 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)nc(OC)n1 3991816 AEZNTIWXAGNYJO-UHFFFAOYSA-N 442.497 2.866 0 40 IFAB CC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4ccccc4)CO[C@H]23)c1 4222851 TVXAJXFWIGKRKR-MTQWCTHYSA-N 425.441 2.794 0 40 IFAB biogenic,in-vitro C[C@@H](CCc1ccccc1)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 4711107 YVWJGMQTCWLNNE-IBGZPJMESA-N 427.520 2.628 0 40 IFAB CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 8879732 CNUQQRPAWBVATM-FQEVSTJZSA-N 425.529 2.909 0 40 IFAB biogenic COc1cc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8915753 GKRIDGGZMMWRCF-INIZCTEOSA-N 437.489 2.681 0 40 IFAB CC(C)c1ccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 8991383 KAUNYUBSXBAJDQ-LJQANCHMSA-N 443.569 2.966 0 40 IFAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 9063796 CBIAOJMIVSZRGS-UHFFFAOYSA-N 432.498 2.529 0 40 IFAB COC(=O)c1c(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)sc2c1CCCC2 9431664 DIRBEXKXOQZLOL-UHFFFAOYSA-N 429.907 2.513 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1cccc(C(C)=O)c1 9761873 JPQQDPPCLWVNEN-UHFFFAOYSA-N 449.463 2.938 0 40 IFAB CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 10128953 AGDMMULSNHLPFK-LJQANCHMSA-N 439.537 2.510 0 40 IFAB Cc1cc(O)nc(SCC(=O)N2c3ccccc3CO[C@@]23C(=O)N(C)c2ccccc23)n1 10157805 LLGOXPYKPMVLTI-QHCPKHFHSA-N 448.504 2.976 0 40 IFAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@H]2c2ccc(CC)cc2)cc1 10232120 CNBHTUZZSNEDAW-FQEVSTJZSA-N 433.468 2.959 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 11170108 HGQRBUDNMXFHCG-KRWDZBQOSA-N 432.542 2.906 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCc3ccccc32)cc1OC 11859858 UJGFMRZVYYPYIA-LJQANCHMSA-N 430.526 2.836 0 40 IFAB CC(C)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029774 CJDZNSGUVUZSMR-KRWDZBQOSA-N 437.539 2.687 0 40 IFAB Cc1nnc(SCC(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)s1 12086462 KHLFNNVUNGLQPM-MGPUTAFESA-N 432.571 2.960 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237181 CGISISSJXCRGGN-QKKBWIMNSA-N 436.468 2.970 0 40 IFAB CCOC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 12497579 OLYMSKIHWOMGRD-RQXXJAGISA-N 446.500 2.924 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCCC1=CCCCC1 12661758 LRJOQNKYVZBDIC-AOMKIAJQSA-N 428.485 2.871 0 40 IFAB biogenic CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1=O 12814894 OXMFRBHMELASSQ-QGZVFWFLSA-N 429.542 2.799 0 40 IFAB COc1cc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1OC(F)F 12855907 LMOOVTCZEPRUSI-UHFFFAOYSA-N 440.468 2.891 0 40 IFAB NS(=O)(=O)c1ccc(CCNC[C@H](O)COC(c2ccccc2)c2ccccc2)cc1 12895251 VHEOGTFRDJZPJM-QFIPXVFZSA-N 440.565 2.633 0 40 IFAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 13071229 ADEAUQYHHDCJCV-UHFFFAOYSA-N 435.528 2.610 0 40 IFAB C[C@@H](CO)NC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 13722802 HUQRADVUGFMGJE-JTQLQIEISA-N 425.919 2.861 0 40 IFAB CCOC(=O)C1CCN([C@H](C)C(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c23)CC1 13806245 JGLMKHSAWNXELS-CYBMUJFWSA-N 431.489 2.565 0 40 IFAB O=C([C@@H]1Cc2ccccc2S1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14047885 XUTXLEREBKEIDS-AWEZNQCLSA-N 428.988 2.951 0 40 IFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccs2)cc1 14118885 WUUVTWRXABDZFG-UHFFFAOYSA-N 443.550 2.937 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc23)C1=O 14170716 VNGZQOAXNZBBSV-LJQANCHMSA-N 427.511 2.672 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)NC(=O)CS3)cc1OC 14241545 HQWYEXSZKCVUGR-GFCCVEGCSA-N 430.482 2.610 0 40 IFAB Cc1cccc2c(=O)n(CCC(=O)NCCc3cc(Cl)c4c(c3)OCCO4)cnc12 14342772 DSJDOZJPTYRUGN-UHFFFAOYSA-N 427.888 2.879 0 40 IFAB O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc2c(c1)OCCO2 16047677 BSKPVGCSZZXGQW-UHFFFAOYSA-N 442.522 2.750 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)COc4ccccc43)c2C)no1 17989735 WDNFRFQUTSRNJS-UHFFFAOYSA-N 437.452 2.932 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)Cc2c[nH]nc2O)C1 19212554 FZTBPRBAKYOKCQ-RUZDIDTESA-N 432.524 2.841 0 40 IFAB CN(Cc1ccc2ncccc2c1)C(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O 19750363 YTSAVUUZZZPULZ-UHFFFAOYSA-N 440.503 2.985 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)Nc1ccc(F)cc1 19764945 VBKMKWNYXRYPHA-LJQANCHMSA-N 439.491 2.852 0 40 IFAB COc1ccc([C@@H]2N=C3NCN(CCCN(C)C)CN3c3nc4ccccc4n32)c(OC)c1 19960410 GXMNYTXBWXHDCK-JOCHJYFZSA-N 449.559 2.548 0 40 IFAB Cc1nnc(C)n1N1CNC2=N[C@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2C1 20556179 UQQFJYMBUKZEGG-IBGZPJMESA-N 433.907 2.777 0 40 IFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)NC(=O)NC1CC1 21462569 NAMJSUFBTUDSOI-CQSZACIVSA-N 440.529 2.686 0 40 IFAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CCOCC2)cc1 22233220 GBBLPPABSFNOIT-UHFFFAOYSA-N 438.933 2.544 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc2c(c1)OCCO2 22372466 AQWVVDKQTQGHCR-UHFFFAOYSA-N 438.933 2.626 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 23685125 VEPVWMPUJNXJST-RDTXWAMCSA-N 440.363 2.608 0 40 IFAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2CCOC)CC1 23819254 KPAPAIVNKMHEFX-HNNXBMFYSA-N 437.997 2.890 0 40 IFAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(O)n1CCc1ccccc1)c1ccccc1 24715453 NGLVCGVZSHLGMZ-KRWDZBQOSA-N 425.514 2.906 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCc3cc(F)c(F)cc32)C1=O 26344053 HQOWVFZSPXRIPX-JOCHJYFZSA-N 428.439 2.606 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 30590376 LRLHLBOHZHVJIS-LJQANCHMSA-N 444.557 2.705 0 40 IFAB NC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)ccc1F 31987789 LYXNREUKVILUCU-HXUWFJFHSA-N 431.423 2.771 0 40 IFAB CC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 32579190 HSGZBJRKCWJDGI-UHFFFAOYSA-N 432.571 2.634 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 32722561 CXXYBTLTYRDFSY-FQEVSTJZSA-N 425.916 2.631 0 40 IFAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCCc2c[nH]c3ccccc23)cc1 36596552 JWSAZBZGNJQFGO-FCHUYYIVSA-N 446.594 2.502 0 40 IFAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)snc2c1=O 49409840 VPZGNXPCZSHTGT-UHFFFAOYSA-N 447.948 2.562 0 40 IFAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 65604500 CAKIERMAPFLPAJ-HNNXBMFYSA-N 426.542 2.942 0 40 IFAB C[C@H](C(=O)CNC(=O)[C@@H](N)CCCCN)c1ccc(Cl)cc1C(=O)c1ccccc1 65734428 WQRZTXVDPVPVDN-YWZLYKJASA-N 429.948 2.816 0 40 IFAB in-vitro COc1cc(OC)c([C@@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1OC 71283097 KIUVYIQACJUHDL-JSGCOSHPSA-N 435.502 2.701 0 40 IFAB O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 72303419 NAMZTELOQCIQSF-CQSZACIVSA-N 439.419 2.700 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)c2sc(C)nc2C)nc2c1CN(C(C)=O)CC2 72372324 GAJIHQVJJXSJNC-QGZVFWFLSA-N 428.562 2.864 0 40 IFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)NCc1nc(-c3ccccc3)no1)C2 90609644 WSSZZEKIMJPPFO-CQSZACIVSA-N 425.514 2.629 0 40 IFAB COc1cccc(NC(=O)CN(C2CC2)S(=O)(=O)[C@@H]2CCN(Cc3ccccc3)C2)c1 95431832 WDPYJDUQMFLYPJ-JOCHJYFZSA-N 443.569 2.702 0 40 IFAB C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 95454651 LSTGZMIGYBXFES-HIFRSBDPSA-N 426.510 2.733 0 40 IFAB O=C(c1ccc(Cl)cc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccccc1)S3(=O)=O)O2 96145936 CWMQYCMZPVUHKU-DYXWJJEUSA-N 432.929 2.538 0 40 IFAB COc1ccc(C)cc1CN1CCN(CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)CC1 97601707 XDFPZLPFHSBSES-OALUTQOASA-N 428.577 2.825 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 113945057 HRRJLBITEQSXMD-SJLPKXTDSA-N 432.542 2.982 0 40 IFAB COc1ccc(CCNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220042407 OLJFKGCZYNOYJW-UHFFFAOYSA-N 430.448 2.839 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3ccc(OC)cc3)S(C)(=O)=O)s2)cc1 224081918 WFYKZGIZXIEGGY-UHFFFAOYSA-N 448.526 2.627 0 40 IFAB CCOC(=O)c1cc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl 224264866 ZPQXPRHRWLPDQS-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1CN1CCCC1 224802311 FRJIWNOLFHXYTE-GOSISDBHSA-N 445.585 2.762 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224857166 CRTPYOUYQNXYBU-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1 253403072 PHPUGPWHSFSPGW-IBGZPJMESA-N 436.580 2.726 0 40 IFAB COc1ccccc1[C@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C 257221714 DQFZHUDMNJWXGA-OAQYLSRUSA-N 437.540 2.825 0 40 IFAB O=C(CCN1Cc2ccccc2C1=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 257258820 KVRPQJUWVYIOKB-NRFANRHFSA-N 444.495 2.561 0 40 IFAB COc1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)ccc1OCC(N)=O 257288323 PTTFBDZYPYKAIB-UHFFFAOYSA-N 448.527 2.868 0 40 IFAB CN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257303113 SFVCSFYAKSVEOD-FGZHOGPDSA-N 448.567 2.607 0 40 IFAB C[C@]1(C(=O)NCC2CCOCC2)CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 257318384 VNRGNZOMLRKLIF-QHCPKHFHSA-N 430.524 2.806 0 40 IFAB O=C(N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 257340610 ZGWKGCLTIUXOSS-DNVJHFABSA-N 425.529 2.647 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 408623016 OMLAKONWDJLTLD-UHFFFAOYSA-N 433.530 2.895 0 40 IFAB O=C1CCCN1[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H]2CCOC2)C1 555504817 RDLZEZFNXIHYED-QUCCMNQESA-N 434.544 2.519 0 40 IFAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575420368 BGRDETJDESFHJL-LJQANCHMSA-N 430.636 2.522 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 608927164 MXYONNWVQIADCI-UHFFFAOYSA-N 447.444 2.694 0 40 IFAB Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 1260686 MWDWUWZXSHZUTM-UHFFFAOYSA-N 446.294 2.763 0 40 IFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2N)cc1 2378743 DECKTJAGAPOZOS-UHFFFAOYSA-N 426.502 2.747 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCCC2)cc1 3359460 KFLVJPKNHSCIEK-QFIPXVFZSA-N 445.585 2.903 0 40 IFAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c(OC)c1 4249400 LXJHYYBKTXHBCU-UHFFFAOYSA-N 427.505 2.502 0 40 IFAB CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1 5413330 XFIJVGRHQULJFF-LAUBAEHRSA-N 444.535 2.761 0 40 IFAB biogenic,in-vitro CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 8755332 JUZVEBDURXXWST-UHFFFAOYSA-N 445.472 2.608 0 40 IFAB COc1ccc([C@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)c2c[nH]c3ccccc23)cc1 8880543 HJNAYZDFUFDJMP-SFHVURJKSA-N 434.496 2.755 0 40 IFAB COc1ccccc1[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)N1CCCC1 9119838 FXHHGGZMDGCIJV-NRFANRHFSA-N 445.585 2.577 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)cc1 9124158 HJCAQRUUVIRXCT-UHFFFAOYSA-N 433.443 2.643 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)Cc3ccccc3)sc2c1 9288575 YWQZRFWNBCZMEM-UHFFFAOYSA-N 438.552 2.643 0 40 IFAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 9290565 WISJVHHINPPZAV-SFHVURJKSA-N 429.524 2.644 0 40 IFAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 9429991 KEBOBLQGCOVHLR-OAHLLOKOSA-N 434.525 2.951 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=O)c4ccccc4)ccc3N3CCC[C@H]32)C1=O 9434003 MQQKZEMUHBMNKB-IBGZPJMESA-N 432.480 2.501 0 40 IFAB COc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)n2)cc1 9442497 ABWNXQAYJZVPHF-QRWLVFNGSA-N 447.538 2.754 0 40 IFAB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 9525913 MJLVZOFWBOGLQW-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)CSc2nnnn2-c2ccc(Cl)cc2)c1C 9669887 RKJIZEIPSQZICX-UHFFFAOYSA-N 430.921 2.780 0 40 IFAB COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1 9985624 MYIBYBGABOEKKY-LFVRLGFBSA-N 446.500 2.567 0 40 IFAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C 10102851 MEVCJQRYZQWNIC-UHFFFAOYSA-N 435.459 2.553 0 40 IFAB Cc1c(C)n2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc2n1-c1ccccc1F 10271906 ZOIXTRHAUOMVMJ-UHFFFAOYSA-N 425.464 2.510 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(CC(N)=O)cs3)cc2)cc1C 10376594 FBCUNOYLJJIMTO-UHFFFAOYSA-N 444.538 2.841 0 40 IFAB O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1cccc(Cl)c1 11694540 VLZZDRUMYHWYEW-UHFFFAOYSA-N 429.889 2.802 0 40 IFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1Cl 12029736 QILGFGZLPWIUMW-HNNXBMFYSA-N 443.930 2.562 0 40 IFAB O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)c1ccccc1 12602421 BDKNSLQPJUNAMT-ACIOBRDBSA-N 425.598 2.734 0 40 IFAB biogenic,in-vitro Cc1nn(CC(=O)c2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCc2ccccc21 12769297 XJSYLQMHCPJKQE-UHFFFAOYSA-N 439.493 2.863 0 40 IFAB COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)N2CCOCC2)cc1 12818439 IIEDFIJSADTMIZ-QFIPXVFZSA-N 449.555 2.966 0 40 IFAB C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 12870654 MZNQXQXJESRYON-CRAIPNDOSA-N 428.558 2.981 0 40 IFAB CCCNC(=O)CSc1nc2ccccc2n1CC(=O)NCc1ccc(OC)cc1 13082949 NWIBPULXQSBIKZ-UHFFFAOYSA-N 426.542 2.980 0 40 IFAB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3cc(C)no3)nc12 13595955 HIRLNSZNSNYNDT-UHFFFAOYSA-N 432.502 2.589 0 40 IFAB Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 13726116 QPCLFTOMHUKTFQ-OAQYLSRUSA-N 446.463 2.917 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1C 14201651 JTLVFJPONMVEJS-UHFFFAOYSA-N 435.571 2.908 0 40 IFAB CN(C)C(=O)[C@H]1[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@@]1(C)C(=O)c1ccccc1N 19576050 RUWWATXAZUJUQC-BPYKYCOYSA-N 432.524 2.632 0 40 IFAB COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 22390294 KXTLGDOIALVTTI-JKSUJKDBSA-N 430.432 2.689 0 40 IFAB NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 22400535 OVDDHVIHNWLWHR-UHFFFAOYSA-N 433.486 2.820 0 40 IFAB COC(=O)c1cn(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc12 23745203 WVWUEUHBRVGQES-IBGZPJMESA-N 427.526 2.679 0 40 IFAB CCOC(=O)C1=C(CSc2nncn2Cc2ccco2)NC(=O)N[C@@H]1c1cccs1 32869309 FIBHQJJXJPXKPR-MRXNPFEDSA-N 445.526 2.944 0 40 IFAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3nnc([C@H]4CCCO4)s3)cc2s1 36354251 YEXUUNQLMBJPBO-SNVBAGLBSA-N 425.517 2.623 0 40 IFAB COc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)NC(=O)N3CCOCC3)sc2c1 44901256 KPRRZOABVAFFQW-SFHVURJKSA-N 440.525 2.897 0 40 IFAB COc1ccc(CNC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 49546067 VFJUXTBWGXMFHH-UHFFFAOYSA-N 428.286 2.998 0 40 IFAB Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nnn1-c1ccc(Cl)cc1 51317487 FYVRGHXZFHZMKD-UHFFFAOYSA-N 439.903 2.916 0 40 IFAB Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 59008242 GNTGEOFEWKOEMP-ZWKOTPCHSA-N 444.329 2.762 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(Cl)cc23)c1 64198978 WWVKMMNZJNDWBR-DUMQITSDSA-N 445.903 2.502 0 40 IFAB COc1ccc([C@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316931 MAISMTIREYOLQO-HNNXBMFYSA-N 439.487 2.779 0 40 IFAB Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 89669150 HYLUSFAUFBQDJC-OFVILXPXSA-N 435.524 2.778 0 40 IFAB COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 89736180 KNIWBEPALVXWMI-UHFFFAOYSA-N 439.541 2.731 0 40 IFAB CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc3c(c2)CCCO3)CC1 95458812 GYSQOAHUZRLXGZ-UHFFFAOYSA-N 429.586 2.628 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)cn1 95972447 PUNYIIWXBRRTHA-UHFFFAOYSA-N 443.275 2.608 0 40 IFAB O=C(COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1O)c1ccc(F)cc1 101356815 DPDOCARDVDSZEL-FJAKRLOMSA-N 435.407 2.883 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]21)Nc1ccc(Br)cc1 103085922 KTDATXQAWAQYOY-CVEARBPZSA-N 446.236 2.520 0 40 IFAB CCN1C[C@H](CN(C)C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 109036962 SYIPVXAMMQYVTP-FPOVZHCZSA-N 438.507 2.650 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223672857 GWLMGUYBGLDLIF-SFHVURJKSA-N 435.524 2.925 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC(C)(C)CC(C)(C)C 225108221 QGPVKEHMVDGRAB-UHFFFAOYSA-N 440.606 2.980 0 40 IFAB Cc1nc(N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 225732932 XVEYJOHPCNIVCG-CQSZACIVSA-N 443.470 2.852 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 257202160 AKSVWSCHJCFCPY-DNQXCXABSA-N 437.584 2.972 0 40 IFAB O=C1O[C@@]2(COCCN(Cc3ccnc(N4CCCCC4)n3)C2)CN1c1cccc(F)c1 257335780 YLVQVRMCSNHUFR-HSZRJFAPSA-N 441.507 2.834 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1 408655985 DXODWSMQVMKHLI-KDIGXEEGSA-N 446.459 2.802 0 40 IFAB O=C(Cn1cnc2sccc2c1=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 522916778 KQQOBUFBHCOGKT-UHFFFAOYSA-N 446.960 2.771 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)c1=O 575616789 ZUZKQIDYXHAMIU-UHFFFAOYSA-N 435.809 2.669 0 40 IFAB CCC(=O)N1CCCN(C)CCCN(C(=O)c2ncccn2)Cc2cc(F)c(F)cc21 643581340 LZZCWEINENYGGF-UHFFFAOYSA-N 431.487 2.866 0 40 IFAB Cc1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl 678954468 YVIIKWVDHMWJRD-XHDPSFHLSA-N 445.372 2.887 0 40 IFAB CN1C(=O)N[C@@](C)(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)C1=O 1557235123 YKIJEIKHGMORPB-GYCJOSAFSA-N 449.511 2.966 0 40 IFAB CO[C@H]1CCn2cc(C(=O)N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)nc2C1 1615613405 UZZOWURXLHMENF-CABCVRRESA-N 427.455 2.731 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)cc1OC 819429 IAKAIDPXTLOPJL-JOCHJYFZSA-N 438.455 2.788 0 40 IFAB CCC(C)(C)NC(=O)CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12 1325791 NYIRNSSNXVOHNH-UHFFFAOYSA-N 428.562 2.703 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 3313904 SSENDGAUQHYCIZ-UHFFFAOYSA-N 432.498 2.715 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN(C)C)cc12 4132914 MQXHDTFNJJQZBQ-LJQANCHMSA-N 430.618 2.952 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298278 XQPRENJEALSDNB-FCEUIQTBSA-N 431.540 2.981 0 40 IFAB biogenic,in-vitro COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1F 8609999 FQKKVDUMPXKQCC-UHFFFAOYSA-N 444.488 2.929 0 40 IFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCO2 8860738 YZKAPQGQJHTUJW-MRXNPFEDSA-N 425.441 2.672 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8883219 XKKVMMCGZZHTLH-LJQANCHMSA-N 430.526 2.798 0 40 IFAB O=C(COC(=O)c1cc2ccccc2cc1O)NCC(=O)Nc1ccc(F)c(F)c1F 9253678 ILAYKIIZCUFQQP-UHFFFAOYSA-N 432.354 2.874 0 40 IFAB CCO[P@](=O)(O)c1ccccc1OCCOc1ccccc1[P@@](=O)(O)OCC 9302584 WGFZASSLNBYRBE-UHFFFAOYSA-N 430.330 2.839 0 40 IFAB biogenic CCCn1c(=O)n(C)c(=O)c2c(SCc3ccc(C(=O)OC)o3)nc(CC(C)C)nc21 9493159 HLWVHHNSAKIMMP-UHFFFAOYSA-N 446.529 2.771 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2)cc1 9745223 YCOMFXXABODLDD-IBGZPJMESA-N 429.542 2.683 0 40 IFAB O=C(NCc1cccnc1)[C@@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 9763622 XCBFPAGTMLSLLK-GOSISDBHSA-N 426.270 2.746 0 40 IFAB CN(CC(=O)NC[C@H]1COc2ccccc2O1)CC(=O)Nc1c(Cl)cccc1Cl 9788984 XAJJNVBQNXTYQE-ZDUSSCGKSA-N 438.311 2.820 0 40 IFAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 10217329 WZZVAIJKGIJDDY-UHFFFAOYSA-N 449.554 2.832 0 40 IFAB C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 10219681 WWDUYCDOJXDBMC-HUUCEWRRSA-N 444.557 2.570 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 11226377 QIWKGSWVJZCFGT-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCCc2ccccc21 12016155 ZSITWKGELQFHGY-UHFFFAOYSA-N 436.555 2.767 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2N1 12181253 ICRMZAZKCCXVPF-WMHQRMGPSA-N 448.511 2.925 0 40 IFAB COc1ccc2[nH]c(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)cc2c1OC 12409890 QEDJNWTXMPBNQH-UHFFFAOYSA-N 425.441 2.715 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3ccccc3)n2)cc1 12479149 LNRDGVWDBXPPBS-UHFFFAOYSA-N 434.544 2.840 0 40 IFAB CCCCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCOCC)c(=O)n2C)cc1 12532155 ULJVZGGUDRQVTN-UHFFFAOYSA-N 425.533 2.818 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3cccs3)n2)o1 12704822 NPIUSJZGTYEAIE-UHFFFAOYSA-N 442.545 2.781 0 40 IFAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 12804248 KMLOJVWLPJZZSU-LLVKDONJSA-N 444.854 2.852 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 13071749 SNIFEZCCTGTZSE-LJQANCHMSA-N 438.509 2.814 0 40 IFAB C[C@@H]1Oc2ccccc2C=C1/C=c1\sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O 13777289 DBVSCMFKXBONLB-RQZLXBNYSA-N 433.464 2.605 0 40 IFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 14240532 DYLCWZCPQHGRSA-QGZVFWFLSA-N 439.541 2.545 0 40 IFAB CC(C)CCN(Cc1ncc(Cl)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14245084 SHKAVCFQMMKIMP-UHFFFAOYSA-N 430.940 2.607 0 40 IFAB COc1cc([C@@H]2O[C@H](C)Cn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 15106198 PQMKEIHMJPKBMK-FATZIPQQSA-N 447.491 2.928 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)CC1 19085320 RIZIWGJSLHJZHP-SFHVURJKSA-N 437.544 2.959 0 40 IFAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCCN1CCOCC1 19342463 LBSVETHHTRRNEP-UHFFFAOYSA-N 430.452 2.686 0 40 IFAB CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 19446986 MZHBHZNZXIRSHI-FQEVSTJZSA-N 426.496 2.999 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2cnccn2)CCO1 19529339 AGXPBLJEBCLZKO-HSZRJFAPSA-N 436.537 2.795 0 40 IFAB COc1ccc2c(c1)NC1(CCN(C(=O)c3cc4c(s3)CCC4)CC1)NS2(=O)=O 19562709 ZGKSBMKFGJOPPG-UHFFFAOYSA-N 433.555 2.582 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(C(=O)c1ccccn1)C2 19701257 SYQOICSLRNVZFM-IBGZPJMESA-N 446.486 2.534 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CN(C(=O)[C@@H](Cc1ccccc1)N1CCCC1)CC2 19710501 PNLVLRZZDFKPGQ-HSZRJFAPSA-N 448.615 2.577 0 40 IFAB CCOC(=O)[C@](NCc1ccccc1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F 20609084 ACWAYFMZDLIQJO-SFHVURJKSA-N 430.448 2.885 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1C 22247328 XMVXKTUZOACGIR-PZJWPPBQSA-N 446.569 2.579 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O 23076344 UJPYUYYSTKRIIS-DEOSSOPVSA-N 434.496 2.765 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 23883773 USKDSEPSXFSQII-INIZCTEOSA-N 448.556 2.752 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 25957401 ZCELKKXQVDTVRV-UHFFFAOYSA-N 425.938 2.858 0 40 IFAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 32978711 JCPQDYRVEPHEEA-IIBYNOLFSA-N 432.542 2.947 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H]1C 35388445 QJWQBNBLMGDWSK-KFWWJZLASA-N 434.027 2.649 0 40 IFAB Cc1nc2ccccc2nc1N1CCN([C@H](C(=O)O)c2c[nH]c3cc(CO)ccc23)CC1 36358929 GMQGCSFDNVPKSK-QFIPXVFZSA-N 431.496 2.860 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@H](C)c1cc2ccccc2o1 39983778 JNHVUDDTVNNTMX-ZIAGYGMSSA-N 448.472 2.659 0 40 IFAB CC(=O)[C@@H](C)n1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 57392151 VWKIXXLRTVYOGF-QGZVFWFLSA-N 445.523 2.776 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC(NS(C)(=O)=O)CC1 57438370 WEUWXWWPASWROG-OAQYLSRUSA-N 431.558 2.697 0 40 IFAB CSCC[C@@H](NC(=O)CCCn1nnc(-c2ccccc2)n1)c1nnc2ccccn12 69923661 MAZBWUABADYAHU-QGZVFWFLSA-N 436.545 2.774 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637593 JPPNVGOZMPOMDD-UHFFFAOYSA-N 436.537 2.656 0 40 IFAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N[C@H](Cc1ccccc1)C(=O)O 71333380 PHEBCJJRPCWKLL-JOCHJYFZSA-N 427.460 2.876 0 40 IFAB O=C1N[C@]2(COC3(CCN(C(=O)CCn4cnc5ccccc54)CC3)C2)Nc2ccccc21 72325309 BUMFETOXEDLWDL-RUZDIDTESA-N 445.523 2.760 0 40 IFAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(S(=O)(=O)N4CCOCC4)C3)n[nH]2)cc1 72371313 JAQWLGWDNQRBEK-LJQANCHMSA-N 448.589 2.521 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cc(-c2ccccc2)on1 77154843 FZGQNFWSNSLLOF-UHFFFAOYSA-N 430.511 2.901 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5cccc(C)c5)no4)[C@@H]3C2=O)cc1 101272701 PAFHNTUNYWMQQJ-OALUTQOASA-N 432.440 2.937 0 40 IFAB COC(=O)[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn2[C@H]1C(=O)OC 102112665 AXLVOYPILFLVGR-VQTJNVASSA-N 448.479 2.777 0 40 IFAB C[C@H]1CN(c2ccncc2NC(=O)c2cccc(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O 168319342 GNTIXZIMEPMGMD-JWCWZOIMSA-N 439.466 2.818 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1OC 220234784 AMOBQZRWRMXTFJ-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224214302 RLZPQJUYYDNKDR-QHAWAJNXSA-N 439.556 2.580 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224970270 HDYHTINNMBCJEE-UHFFFAOYSA-N 429.878 2.978 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)CC1 225539906 ATLICCHLKMDGQG-UHFFFAOYSA-N 435.571 2.886 0 40 IFAB COC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515715 MXNGOLUEEXBSTG-SCTDSRPQSA-N 439.942 2.927 0 40 IFAB COCCC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 257252529 JVCKWBATTODKGB-QFIPXVFZSA-N 438.952 2.613 0 40 IFAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCCN3CCCCC3)cc2)[C@H]1O 257269303 MPKDFZBAJWSFAG-DNVJHFABSA-N 426.561 2.941 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCCn2ccnc2)CC1 408701440 XZPAFRHKCSFMLV-UHFFFAOYSA-N 448.589 2.622 0 40 IFAB COc1ccc(CNC(=O)COC(=O)c2ccccc2I)cc1 3391601 ADOXZAYBUJPCCE-UHFFFAOYSA-N 425.222 2.773 0 40 IFAB Cc1ccc(SCC(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1C 4768635 OTGJOFGHLHNKCK-KRWDZBQOSA-N 427.588 2.610 0 40 IFAB CCN1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2Cl)CC1 8315690 FVXFWTLQBCZYEH-HZPDHXFCSA-N 427.998 2.784 0 40 IFAB COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1OC 9090200 ZVSQTJIUFQQDJD-IGCXYCKISA-N 430.404 2.869 0 40 IFAB COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)c1 9123816 IDJPNXOQHCINIZ-UHFFFAOYSA-N 433.443 2.643 0 40 IFAB CCn1cnc2cc(NS(=O)(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)ccc21 9129661 WMEBKGMFJZANNR-UHFFFAOYSA-N 434.543 2.569 0 40 IFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 9448722 FJGYXELPVKAFQK-XZOQPEGZSA-N 427.504 2.987 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)cc4)[C@H]3C2=O)cc1Cl 9674925 SDDJWDYPONSLJZ-QZTJIDSGSA-N 427.848 2.589 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5C)c(=O)n(C)c4nc23)cc1 9829388 XTXVAMKLNUCTQM-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1OC 9892519 GQHXQCRPIKDASM-OXQOHEQNSA-N 442.512 2.959 0 40 IFAB CCn1c(C)cc2c(c1=O)[C@@H](c1cc(Cl)c(OC)c(OC)c1)C(C(=O)OC)=C(N)O2 10166101 AJVRBXPRPZSZRC-OAHLLOKOSA-N 434.876 2.715 0 40 IFAB CCn1ncc(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)c1C 12085542 BLURRSYKRGKXNG-JOCHJYFZSA-N 443.935 2.812 0 40 IFAB O=c1[nH]c(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2c1CCC2 12113685 XBKINHTUPQNQFP-UHFFFAOYSA-N 442.463 2.543 0 40 IFAB COc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1OC 12129734 FQBSLNITDWDMJY-UHFFFAOYSA-N 435.484 2.520 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c1O 12154099 PTVSBNQOJKGKEB-IBGZPJMESA-N 442.541 2.615 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 12748936 SOVQHDRHFCLJBW-HOTGVXAUSA-N 430.526 2.696 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc4c(c3)OCCO4)CC2)cc1 12754219 FXBKVBBGMLHPJG-UHFFFAOYSA-N 444.553 2.826 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1Cl 13041135 YTWZJGJUBFEYSK-OAHLLOKOSA-N 439.940 2.663 0 40 IFAB O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 13114912 ATMPHJDWTNXERJ-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C)O[C@H](C)C2)Cc2ccccc2)cc1 13129862 BQIPVQGOVHYDFN-HDICACEKSA-N 444.553 2.716 0 40 IFAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCC1(N2CCOCC2)CCCCC1 14242350 UZHLGTFZACEZEQ-UHFFFAOYSA-N 430.545 2.962 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 14595200 BJYXPEUOWWIPAA-UHFFFAOYSA-N 448.497 2.527 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NC4CCCC4)[C@@H]5C3=O)nc2c1 15905447 IYFIFVRJEYGKAR-OQYZPLRDSA-N 425.510 2.650 0 40 IFAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 15932744 AMIPJHVYDQNLLJ-UHFFFAOYSA-N 442.459 2.790 0 40 IFAB O=c1[nH]c2ccccc2nc1CS(=O)(=O)c1ccc(I)cc1 17028437 FCWCUBYFPMMOGS-UHFFFAOYSA-N 426.235 2.502 0 40 IFAB CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 17302327 HRKWSYHNXMTLIY-UHFFFAOYSA-N 437.905 2.572 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N=C3CC(C)(C)CC(O)=C32)cc(C(=O)OC)c1 18219525 NWIBQVMWTSOPOW-CQSZACIVSA-N 428.441 2.818 0 40 IFAB COC(=O)c1ccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 18372706 DQGKTOUZCAXUEE-YKFJAUDESA-N 441.524 2.695 0 40 IFAB CCOc1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 19533243 ALUFQGJXYNNFJB-LJQANCHMSA-N 436.556 2.843 0 40 IFAB O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccncc2)CC1 19699497 WXHRZZUVQQXMAN-UHFFFAOYSA-N 433.556 2.633 0 40 IFAB C[C@H](NC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1)c1nc2ccccc2[nH]1 19708071 JBAZLTUBNBSQLR-AWEZNQCLSA-N 427.530 2.588 0 40 IFAB Cc1cc(NC(=O)Cn2cc(C(=O)Nc3ccccc3CN3CCCC3)ccc2=O)no1 19751203 ORHPREHIBRTRKA-UHFFFAOYSA-N 435.484 2.632 0 40 IFAB CCN(c1ccc(OCC(=O)NCc2ccncc2)cc1)S(=O)(=O)c1ccccc1 19937905 JCQRDXKXUFMXNJ-UHFFFAOYSA-N 425.510 2.992 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1F 22000823 WSRBSKXUMKSWGG-WHEQGISXSA-N 433.480 2.753 0 40 IFAB CCc1nn2c(=O)cc(COC(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)nc2s1 22037885 BVJFLLMZLWGSFC-UHFFFAOYSA-N 442.541 2.874 0 40 IFAB CC1(C)C[C@@H](NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c2ccccc2O1 22368082 XQLNZVBKTRNYGS-MRXNPFEDSA-N 432.498 2.600 0 40 IFAB O=C(NCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 22381862 PALFEPNNXHMAIQ-KRWDZBQOSA-N 438.347 2.704 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cn3cnc4cc(F)c(F)cc43)CC2)cc1 24264856 ZKZNUODXYDHXMT-UHFFFAOYSA-N 436.484 2.677 0 40 IFAB O=C(N[C@@H](C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1)c1cccs1 25581259 XCNMDQVKZKMIBI-OAQYLSRUSA-N 436.537 2.767 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@@H]1c1ccco1 27734358 QUYSDOCEMUOGKH-QGZVFWFLSA-N 428.832 2.514 0 40 IFAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1[C@@H]1CCS(=O)(=O)C1 27757562 GNPQQZLMMFKCOK-ODXCJYRJSA-N 427.457 2.654 0 40 IFAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1N1CCCC1=O 28750425 QOEKKZPBMJZPKP-UHFFFAOYSA-N 442.479 2.807 0 40 IFAB COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(F)cc1F 30820555 BUJBLKZJGGVSRO-UHFFFAOYSA-N 444.481 2.852 0 40 IFAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)C1CCN(C(=O)C2CC2)CC1 31246110 NDFSRBWUQGZDBK-UHFFFAOYSA-N 425.451 2.586 0 40 IFAB COc1ccc(N2C(=O)CCS[C@]23C(=O)N(CN2CCOCC2)c2ccccc23)cc1 31772166 ACYNWFFZKGNNFC-HSZRJFAPSA-N 439.537 2.654 0 40 IFAB Cc1ccc(NC(=O)CSCCC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 32819619 PZYMRSMJOQGFDV-INIZCTEOSA-N 449.598 2.924 0 40 IFAB COc1ccc(CNC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)cc1 35855849 SCZCOHIZVQWVAV-SCPLRKQGSA-N 435.568 2.949 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1C 36398668 LGAFUBYFXIBFGB-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB O=C(CN1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1)N1CCCC1 40104330 TVELURMGDCEFEL-UHFFFAOYSA-N 428.533 2.890 0 40 IFAB COC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 40128376 RXNVPZQDGTXMNN-UHFFFAOYSA-N 427.453 2.948 0 40 IFAB Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 40266493 PFJJCWLZWJTFFJ-UHFFFAOYSA-N 433.443 2.569 0 40 IFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 48301039 XUTVPTZUKFHCOL-INIZCTEOSA-N 437.479 2.583 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)c1 57412941 OHEUWMANFQWBSP-UHFFFAOYSA-N 439.424 2.919 0 40 IFAB Cc1ccc([C@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(c3ccccc3)CC2)o1 58145690 UTCNWUDRAUXYBX-OAQYLSRUSA-N 437.544 2.588 0 40 IFAB CCCCOc1ccc(-c2cc3c4nn(CC(=O)NC(C)(C)C)c(=O)n4ccn3n2)cc1 67290763 UFHIPSDEETZNPZ-UHFFFAOYSA-N 436.516 2.904 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCc1cccnc1 72327660 HCQKUYJNDBUCSV-JOCHJYFZSA-N 427.888 2.768 0 40 IFAB CC(=O)N1CCC(C(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)CC1 72371569 PZMZFUBBMOWTQT-SFHVURJKSA-N 428.508 2.745 0 40 IFAB CCOc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3cnc(OC)nc3OC)C2)cc1OC 72392592 LYMXBALDCMMZHD-PRCFCKQXSA-N 429.517 2.631 0 40 IFAB CCCC(=O)N1CCc2nc(C3CCN(Cc4c(C)nn(CC)c4C)CC3)[nH]c(=O)c2C1 72398996 JEWBBUIONHARDP-UHFFFAOYSA-N 440.592 2.668 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(OC)c1 96126923 SZZUVMDPQDIVEI-FQEVSTJZSA-N 437.496 2.686 0 40 IFAB O=c1cccc2n1C[C@@H]1C[C@@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 100552092 YYBWDBNHQVNJJY-RTBURBONSA-N 435.576 2.638 0 40 IFAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 101228631 NIYLGXYPKDADMD-SWCJPYALSA-N 447.462 2.970 0 40 IFAB CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O 220618136 FVLXOKVUGUKRPT-JOCHJYFZSA-N 445.585 2.584 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)O2 223157478 ZCXCABAWFNTYAV-AWEZNQCLSA-N 442.588 2.760 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 223603160 NBZUPRVABAJLCO-UHFFFAOYSA-N 448.932 2.978 0 40 IFAB COc1cccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 224164365 OIVCYDCMGLOADE-UHFFFAOYSA-N 430.577 2.700 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NC[C@H](O)c3csc4ccccc34)cc3c2N1CC3 225696819 LHLXLUMZGSFYKR-SFHVURJKSA-N 428.535 2.749 0 40 IFAB Cc1ccc2nc(O)c(CN(Cc3nnnn3C[C@H]3CCCO3)C[C@H]3CCCO3)cc2c1 253616900 XHHSPHCQVLRSFY-WOJBJXKFSA-N 438.532 2.596 0 40 IFAB Cc1ncnc(OCC2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1C 1565519390 NXEHPOATLDAIEA-UHFFFAOYSA-N 433.530 2.734 0 40 IFAB CCOc1ccc2nc(COC(=O)c3ccc(OC)c(OC)c3)c(C(C)=O)[n+]([O-])c2c1 2208943 YDICRSZJGZAQQD-UHFFFAOYSA-N 426.425 2.844 0 40 IFAB NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)CC1 3296411 CVVAXHJNVOQXKM-UHFFFAOYSA-N 439.896 2.617 0 40 IFAB CN(C)CCn1c2c(c(SCC(=O)N3CCCc4ccccc43)nc1=O)CCCC2 5254451 GDGQDLCRSHYPOL-UHFFFAOYSA-N 426.586 2.755 0 40 IFAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCn1nnc2ccccc2c1=O 9128244 YAOCNUWSVYTHOA-GOSISDBHSA-N 428.876 2.790 0 40 IFAB O=C(NCCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccc(-c2ccccc2)cc1 9185697 WQPGBRHZTIBSQE-UHFFFAOYSA-N 443.551 2.860 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9191167 HAQUIHMLJIJNFQ-CVEARBPZSA-N 445.541 2.764 0 40 IFAB CCc1ccccc1N1C[C@H](C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1=O 9222670 FPLXZQINUWOZHA-RTWAWAEBSA-N 440.565 2.818 0 40 IFAB COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)c1 9242743 ATBQPHVONZGSKA-UHFFFAOYSA-N 433.443 2.643 0 40 IFAB Cc1c(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)sc2ccccc12 9515777 HBDWCJGVEBNSSL-JOCHJYFZSA-N 446.492 2.835 0 40 IFAB COc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C 9519226 CPZVGDXDXKMOBU-QGZVFWFLSA-N 445.523 2.936 0 40 IFAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 9566871 YYYLKFGEMAMMQG-ZDUSSCGKSA-N 449.558 2.961 0 40 IFAB NC(=O)N[C@H](CC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 9593470 MPRDNSQZXRMNFN-OAHLLOKOSA-N 443.847 2.671 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)OCc5ccccc5)CC4)ncnc32)cc1 9850545 JFJFKRZXOYYZKC-UHFFFAOYSA-N 445.483 2.678 0 40 IFAB NC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 10320573 KKKHTIDVYHAYSF-UHFFFAOYSA-N 430.507 2.683 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)cc1 11444984 OXBOXNWCZPQXFC-CQSZACIVSA-N 426.425 2.706 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 11858094 ROZDOXGGBGUMMH-UHFFFAOYSA-N 438.527 2.650 0 40 IFAB Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)Cc1csc(NS(C)(=O)=O)n1 12088435 AIJNAVQFEOKVNB-HNNXBMFYSA-N 436.584 2.922 0 40 IFAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](C)CCc2ccccc2)c3=O)cc1 12234163 BOWHJBNNCVUCNG-KRWDZBQOSA-N 433.512 2.940 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 12550168 JFNJOVQWOBZHIP-HUUCEWRRSA-N 442.390 2.632 0 40 IFAB Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 13120346 JZPFAGJCYFLQMI-UHFFFAOYSA-N 440.500 2.945 0 40 IFAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)N3CCCC[C@@H]3C)c2cc1OC)CCS4 13568152 KVMPKPBCAYGTIP-ZDUSSCGKSA-N 442.541 2.875 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C(C)C)cc2)cc1 13647195 CBIYJVJJTICOQY-UHFFFAOYSA-N 443.569 2.614 0 40 IFAB CCN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 14135374 YBQRWYFFQFOYEY-UHFFFAOYSA-N 435.977 2.695 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 15607657 UVACVBIJKGDQPJ-INIZCTEOSA-N 433.505 2.567 0 40 IFAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O 15894286 IKGLSQKPYQOTPN-KWNHSTDBSA-N 443.503 2.822 0 40 IFAB biogenic COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 16639269 YLHNSZAKBGKKJO-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB O=S(=O)(c1cccc2nsnc12)N1CCN(CCOc2cccc(Cl)c2)CC1 19077297 GUTIACHWWKWQKV-UHFFFAOYSA-N 438.962 2.730 0 40 IFAB CCN1CCN([C@@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1 19527968 XSZYFOSNWMONJW-QHCPKHFHSA-N 443.555 2.598 0 40 IFAB COCC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)C4CCCCC4)CC3)c2c1 19593035 MWYPKQOGTVZRFH-UHFFFAOYSA-N 428.533 2.555 0 40 IFAB COCc1nnc(NC(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCCN2C(C)=O)s1 19696632 KXHPFIQZKMOIMZ-OAQYLSRUSA-N 441.513 2.902 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)n1 19702809 RLYVJYNNIPPYJO-OAHLLOKOSA-N 443.529 2.659 0 40 IFAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 21624880 NOJVLVQBPMMWQY-NSHDSACASA-N 432.470 2.932 0 40 IFAB Cc1nc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)sc1-c1nnc(S)n1C 24764607 MWXBGVWZFAJVQU-ZDUSSCGKSA-N 444.542 2.906 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 24985865 WFJVKVQPMOFNAY-HXUWFJFHSA-N 444.553 2.917 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2cccnc2)c1 25347207 FNSXXGJURIEBHJ-UHFFFAOYSA-N 426.336 2.851 0 40 IFAB COc1ccc(C(=O)NCCCn2nc(C)cc2C)cc1S(=O)(=O)NC1CCCC1 27507639 GBTQDNPUDNYSAC-UHFFFAOYSA-N 434.562 2.550 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(=O)N(C)C)c3)C2)s1 30871052 FXOXRDDHHVJTTB-INIZCTEOSA-N 435.571 2.798 0 40 IFAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 32889192 HCACMXUHQSAAID-GFCCVEGCSA-N 444.431 2.980 0 40 IFAB Cc1ccccc1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 33729749 MSJXTPOPQKCFPC-UHFFFAOYSA-N 427.505 2.966 0 40 IFAB COc1ccc(CCNC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1OC 35423952 BKIBRRODQRPCER-UHFFFAOYSA-N 434.496 2.952 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 36716755 XLZVRRLHLQYHCK-QHCPKHFHSA-N 437.521 2.858 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCc2ccc(OC)cc2)cc1C 39986233 BEZSZVIBQGLFNE-UHFFFAOYSA-N 434.558 2.772 0 40 IFAB O=C(NCc1ccc(Cn2cncn2)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 40038980 UOCMFLMYDIQPTI-ZHACJKMWSA-N 429.524 2.895 0 40 IFAB COc1cc(CCC2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc(OC)c1 40039964 UCIKUWQTZDZGMB-IAGOWNOFSA-N 426.579 2.702 0 40 IFAB COC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(Br)cc1 40150630 AXOBMFGWZNITRA-UHFFFAOYSA-N 433.302 2.771 0 40 IFAB COc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)CCC(=O)O 50025833 BRIHFMHKMIHWAK-SFHVURJKSA-N 445.497 2.609 0 40 IFAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccc(Br)cc1 57528385 IHENPPNYWMPRBZ-UHFFFAOYSA-N 431.242 2.898 0 40 IFAB Cc1cc(C)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(=O)O)c1 58267788 LRSISRXXCQTVRF-UHFFFAOYSA-N 438.527 2.587 0 40 IFAB COc1ccccc1C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1 67896778 RPRANNHBSCPAIM-ZJSXRUAMSA-N 447.491 2.804 0 40 IFAB biogenic,in-vitro CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC)cc4OC)c3)c2)n1 71768520 KWVZFVMEXYEHOD-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB Cc1nc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cs1 71991677 SDQPTRKUSLHZGC-UHFFFAOYSA-N 446.485 2.516 0 40 IFAB C[C@H](C(=O)N1CC[C@@H](c2ccccc2)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326723 MIFNXXLMGPXENM-DZTNWFRXSA-N 447.535 2.922 0 40 IFAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2cccc(Cl)c2)C[C@@H]1C(=O)N(C)C 72334390 GMTUYUANCRXYGZ-QPPBQGQZSA-N 441.959 2.984 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 72372342 XHUZKSNDVHJEJE-FQEVSTJZSA-N 441.507 2.695 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@@H](c4nnc(-c5cccs5)o4)C3)ccc21 72390526 MZMNNHYBGSAFFE-OAHLLOKOSA-N 444.538 2.750 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)Cc2nonc2N)C1 72391286 KLCGDYWXSPCUFQ-RUZDIDTESA-N 447.539 2.801 0 40 IFAB C[C@H](NC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 79101599 SKAGQQABWAUZJB-JTQLQIEISA-N 429.308 2.882 0 40 IFAB Cc1cccc(NC(=O)CSCC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 89672796 SAYZTILPRFANKF-XMSQKQJNSA-N 429.517 2.894 0 40 IFAB CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 96562000 YTYHDXDBAXMQJE-OAQYLSRUSA-N 437.544 2.890 0 40 IFAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)cc1 98087225 INYOEKLFGHKVOW-HNNXBMFYSA-N 449.583 2.891 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Nc2ccccc21 100117554 GFFHBMPBKGXKMC-NLOPZFEXSA-N 448.523 2.552 0 40 IFAB COC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100909476 HZISYXJDJJDMSV-RDJZCZTQSA-N 442.269 2.665 0 40 IFAB CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 113946719 MLDQNIJQGAHZMY-UHFFFAOYSA-N 448.416 2.746 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)ccc1OC 222903805 MAKBQLJFFLNBSH-UHFFFAOYSA-N 448.932 2.647 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1Cl 224047569 ZXRGVXZUTAJDLF-HNNXBMFYSA-N 440.949 2.836 0 40 IFAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)c(C)c1 225565888 DXTPLYURLWONKZ-FQEVSTJZSA-N 432.542 2.906 0 40 IFAB Cc1nc(-n2cccc2)sc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225758430 FWRBLJVMGUZKOS-UHFFFAOYSA-N 435.509 2.723 0 40 IFAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CN)NC(=O)OC(C)(C)C 242522198 ILUHTTGVUNWCNK-CPUCHLNUSA-N 433.368 2.572 0 40 IFAB CCOc1ccc(C=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC 254844095 UXYXLAAOJCIWQN-UHFFFAOYSA-N 439.493 2.790 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408604289 LUUAQNOZLXXNFS-FQEVSTJZSA-N 438.505 2.621 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 408659200 MGQZJGMOWGKSJH-PMACEKPBSA-N 434.448 2.946 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c(OC)c1 408659703 MRPWAGHTAIEECC-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB O=C1C[C@@H](c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)N2NC=NC2=N1 409370500 RUZGRIVYKMRVBN-INIZCTEOSA-N 431.374 2.899 0 40 IFAB O=C(C[C@@]1(COc2ccc(F)cc2)CN(Cc2ccccc2F)CCO1)N1CCOCC1 585273442 OJALWRFGFVKVIP-DEOSSOPVSA-N 446.494 2.864 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1=O 643556385 KCVFHZXIZPMUIN-RUZDIDTESA-N 444.572 2.665 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CCC[C@@]4(COc4ncc(F)cn4)C3)nn2)n1 1888922121 LLBNAVMQAOKWJZ-ZHRRBRCNSA-N 437.479 2.530 0 40 IFAB COc1ccc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1 2056226401 QGYULFNHUCNLCM-GMAHTHKFSA-N 432.467 2.650 0 40 IFAB COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1O 915860 BLCLFSADXUJFFI-UHFFFAOYSA-N 426.498 2.599 0 40 IFAB CCCNCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 1609315 WSYVQVSIRSEFSJ-VWLOTQADSA-N 447.491 2.630 0 40 IFAB CCOC(=O)[C@H]1N[C@@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 2317091 VNNZLGIBHWIYBJ-OWSLCNJRSA-N 443.297 2.831 0 40 IFAB COc1ccc(NC(=O)COc2ccccc2C(=O)OCC(=O)NC2CC2)cc1Cl 3600230 TXSTYQNCXQWSHC-UHFFFAOYSA-N 432.860 2.802 0 40 IFAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)C5CCCCC5)CO[C@H]34)n2)cc1 5413240 FECIOWABCRPCEX-FNAHDJPLSA-N 438.528 2.795 0 40 IFAB biogenic,in-vitro COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccco4)ccc(=O)n2C3)cc1 5441221 BTFUZUCRPLCQNO-DOTOQJQBSA-N 433.464 2.962 0 40 IFAB biogenic,in-vitro Nc1cc(=O)[nH]c(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 8749012 VELVNRNLRJQXPH-UHFFFAOYSA-N 430.511 2.510 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 9491255 HQRWVOAEXNZBIL-UHFFFAOYSA-N 448.541 2.976 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(F)cc(F)c2)c1 9511032 NDNJILXDEHPYBP-UHFFFAOYSA-N 432.832 2.664 0 40 IFAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl 9962914 XWTMMIOVYIEKAN-UHFFFAOYSA-N 440.283 2.838 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 9973732 HYKYAMNMFNZQRM-INIZCTEOSA-N 432.498 2.521 0 40 IFAB Cn1c(=O)c2c(SCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)nc2n(C)c1=O 11758289 YZPCPHNPBSCBCS-UHFFFAOYSA-N 442.884 2.916 0 40 IFAB O=C(CSc1nc2c(=O)[nH]cnc2n1C[C@H]1CCCO1)Nc1ccc(F)c(Cl)c1 12428536 CYZUSOLNOSZMLD-LLVKDONJSA-N 437.884 2.822 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 12788175 SIAXPCVHEBBXBV-UHFFFAOYSA-N 434.558 2.871 0 40 IFAB COC(=O)c1ccc(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 12811941 XEJHJFIEEQAWNR-UHFFFAOYSA-N 444.285 2.652 0 40 IFAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N(C)CC(=O)N4CCN(C)CC4)sc32)cc1 12814699 VVPWLSJGSXRNSJ-UHFFFAOYSA-N 439.585 2.609 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC 12871155 XJNZWGUMUSASPG-KRWDZBQOSA-N 428.441 2.622 0 40 IFAB biogenic O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 12986137 UQSQSHWEPDKVKR-AWEZNQCLSA-N 442.563 2.691 0 40 IFAB Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCCC3)cc2C(=O)O)cc1C 13097412 SZXKHFSDEOZMBU-UHFFFAOYSA-N 439.511 2.554 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)cc2c1 13570842 UKCXSKXWLATRMA-FQEVSTJZSA-N 438.553 2.987 0 40 IFAB CCN1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 14111377 DWLKGHNZUKMITA-INIZCTEOSA-N 447.523 2.707 0 40 IFAB CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)nc1C 14865810 NVOHASILSFCWEP-UHFFFAOYSA-N 431.923 2.784 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 15292531 GRECMCBFTIWQOL-UHFFFAOYSA-N 446.573 2.778 0 40 IFAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCC(=O)NC(N)=O)cc1 15514415 CJPADBKQUUTMTP-UHFFFAOYSA-N 425.514 2.934 0 40 IFAB Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)n1 16843462 NVSRWSQBRXINFQ-UHFFFAOYSA-N 430.555 2.761 0 40 IFAB O=C(C1CCCCC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400090 WDKDOHVGINGSQK-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1 19451689 OACPCLNENADPOM-UHFFFAOYSA-N 431.562 2.541 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4c[nH]nc4C)nc32)cc1 19739856 GVPGOXMBILGYIZ-FQEVSTJZSA-N 446.511 2.892 0 40 IFAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)CC3)C1 19741404 ZDIAHTKWGARMSK-KRWDZBQOSA-N 426.492 2.756 0 40 IFAB O=C(Cn1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1=O)NCc1ccc(F)cc1 19751037 CFVZRKVZZNSGNH-UHFFFAOYSA-N 445.454 2.742 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19757975 IAUWRBKNPTXMDJ-OAHLLOKOSA-N 441.919 2.629 0 40 IFAB COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCOCC1 20109282 GSTUWJWXDCPWJC-UHFFFAOYSA-N 433.892 2.880 0 40 IFAB COc1ccc(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1OC 20259001 SBOQMCUIEAYTPF-UHFFFAOYSA-N 440.452 2.963 0 40 IFAB C[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 21123918 DKELPWZNKYWWJS-MRXNPFEDSA-N 438.546 2.548 0 40 IFAB COCCNC(=O)CN1CCN(Cc2cc(C)n(CCc3ccc(Cl)cc3)c2C)CC1 22791495 FOBCWKILPZCDFS-UHFFFAOYSA-N 447.023 2.881 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 22960656 NOYCZNASKSACOK-HUUCEWRRSA-N 431.514 2.695 0 40 IFAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)cnc2ccccc21 23078410 JZSJRUVDGQNKAG-UHFFFAOYSA-N 432.402 2.903 0 40 IFAB CC(=O)c1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2-c2cccs2)c1 23142199 PBMDQRRGXNLAKC-UHFFFAOYSA-N 438.509 2.925 0 40 IFAB O=S(=O)(c1ccc(OCCSc2ncnc3ccccc23)cc1)N1CCOCC1 29827110 JDRUTSYJXCRAGC-UHFFFAOYSA-N 431.539 2.822 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 30871040 DKUWLOSZQXAQHT-UHFFFAOYSA-N 444.582 2.959 0 40 IFAB C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CC2)cc1 31397944 UVRNANPPYOFGDI-LLVKDONJSA-N 434.290 2.998 0 40 IFAB O=C(Nc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)s1)c1ccco1 32833940 YTDXBXIGVXYSSY-VIFPVBQESA-N 433.433 2.787 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccccc1 34715121 CBHKPCJQJNZGKG-UHFFFAOYSA-N 439.537 2.906 0 40 IFAB CCOc1ccc([C@H](c2nnnn2CCOC)N2CCN(c3ccccc3F)CC2)cc1 35289846 YQJHHYDWVCFKCB-JOCHJYFZSA-N 440.523 2.769 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1Cl 35392935 MVMRFRPBLGUPPC-UHFFFAOYSA-N 428.341 2.938 0 40 IFAB CC(C)NC(=O)CN1CCCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 40118590 RGBKHTPGNVGZDE-UHFFFAOYSA-N 446.555 2.607 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 40390393 GHGHXLOTDDQLCQ-UONOGXRCSA-N 425.489 2.530 0 40 IFAB COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 63376221 MHYFMOLJWVSSQA-VXKWHMMOSA-N 442.581 2.876 0 40 IFAB CCOc1cccc2c1OCC(C(=O)NS(=O)(=O)c1cncc(Br)c1)=C2 69622408 PDSRSBSOBROCHE-UHFFFAOYSA-N 439.287 2.524 0 40 IFAB O=C(COc1ccccc1F)NCCN(CC(F)(F)F)C(=O)COc1ccccc1F 72292807 SYRQVDDGBBVGLQ-UHFFFAOYSA-N 446.372 2.930 0 40 IFAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NCc2ccco2)[C@H]2CCCC[C@@H]21 78725984 OYBLANNHSRRSGN-UFHDJZAFSA-N 432.565 2.789 0 40 IFAB O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCc2ccccc21 78991139 UJKXTNWXIVQIEL-IBGZPJMESA-N 442.519 2.958 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccoc1)CC2 96036915 WLSZVQKLIDZRNV-UHFFFAOYSA-N 426.542 2.910 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 96126925 REJYUQIJEIDJRE-NRFANRHFSA-N 449.507 2.846 0 40 IFAB CSCC[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 96232413 UKEIZLMIEZVFGN-KRWDZBQOSA-N 437.525 2.945 0 40 IFAB COC(=O)c1cncc2c1cc(I)n2S(=O)(=O)c1ccccc1 96321349 QOOIBFACCKGHRR-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O 106213791 WCMOOBPRZMZNNB-RLFYNMQTSA-N 426.416 2.670 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1 113936107 ORLWGAZUSWRLGP-UHFFFAOYSA-N 439.493 2.872 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220137185 QNQDPTCZQVTIDN-KRWDZBQOSA-N 447.557 2.555 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccccc1F)S(C)(=O)=O 220607544 QZXAWJVDVBBJOR-MRXNPFEDSA-N 432.477 2.737 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)c(C)c1 222565346 CELXTGGXFPQPRH-LJQANCHMSA-N 443.569 2.679 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222848871 JFZWMXRQKNUZHA-MRXNPFEDSA-N 431.492 2.972 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 223113581 OCFYFGZDJRHEFH-UHFFFAOYSA-N 444.582 2.840 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 223232006 NWBPVELKCIEUBI-GOSISDBHSA-N 446.569 2.714 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 223788458 BGLXGMSQEPUTEZ-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB Cc1ccc(C)c(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 224025766 MQUMWVKTVBEUCG-IBGZPJMESA-N 438.933 2.679 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225223676 FSJFJYZWYBLLAD-LJQANCHMSA-N 445.585 2.541 0 40 IFAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 408693546 ZKIXVRXWMVADKW-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cccc(Cl)c1 409377037 FMFBQEDBDAZLQE-HNNXBMFYSA-N 427.848 2.542 0 40 IFAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1ccc2c(c1)sc(=O)n2C 525979512 QAGRYEBLOKSFFU-UHFFFAOYSA-N 426.542 2.608 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1=O 575616755 ZFMAVRBJMAUVCX-UHFFFAOYSA-N 444.479 2.505 0 40 IFAB O=C1N[C@@H](CC(=O)N2CCc3cc(Br)cc(F)c32)C(=O)Nc2ccccc21 1269031827 OIKYIORGUCZPTK-HNNXBMFYSA-N 432.249 2.618 0 40 IFAB COc1ccc(/C=C/c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)cc1OC 1501040192 DPQWYNQJJVDDDT-FNORWQNLSA-N 449.558 2.512 0 40 IFAB CC(C)c1ncnc(N(C)[C@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c1F 1888908418 NITVHYQPEYVZRB-HNNXBMFYSA-N 427.480 2.774 0 40 IFAB Cc1nnc(S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)s1 2283626 OOAFARRRJFVKHT-SNVBAGLBSA-N 431.280 2.875 0 40 IFAB Cc1cc(Br)c(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c(Br)c1 3301533 ZSLJYBQEXNNAPD-UHFFFAOYSA-N 444.079 2.949 0 40 IFAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2[C@@H](C)N2CCCCC2)cc1 3393409 VZIQACIQVWVNJZ-QGZVFWFLSA-N 445.589 2.774 0 40 IFAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(OC)cc2)c1 4712217 UUKOQFIGJVTOBC-UHFFFAOYSA-N 425.485 2.793 0 40 IFAB CCN(CC)CCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCCOC 6193027 AKEWKDUOSSYCHF-UHFFFAOYSA-N 434.606 2.592 0 40 IFAB CC(C)C[C@@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 8876301 ORGCDVXAADSFAC-MOPGFXCFSA-N 429.517 2.551 0 40 IFAB biogenic CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)sc(C)c1CC 8883742 IYFKVLZYRZWSDB-UHFFFAOYSA-N 443.485 2.567 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@@H]1c1ccc(OC)cc1 9056601 ORMCEUQZDIQIJP-UNMCSNQZSA-N 434.500 2.999 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1 9260781 LPYKVIVAACALSU-UHFFFAOYSA-N 439.497 2.514 0 40 IFAB COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 9349241 LTLOCPIVRDORQE-UHFFFAOYSA-N 432.527 2.851 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)c(OC)c2)C[S@@](=O)C3)cc1 9413954 CVDIZUPDKJIZLR-PMERELPUSA-N 427.482 2.913 0 40 IFAB O=C(NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Br)o1 9512181 FPFFSYZSBKWQPG-ZDUSSCGKSA-N 435.274 2.907 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 9516157 VLCVSBBZNWKCNK-XMMPIXPASA-N 445.479 2.657 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 9525955 RKDKJZMXDZLZLQ-OAHLLOKOSA-N 444.871 2.970 0 40 IFAB Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9574125 LKRXAXHDAOJXKV-UHFFFAOYSA-N 431.471 2.777 0 40 IFAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1 9584030 FDXVOSXBDXZUEX-NRFANRHFSA-N 434.496 2.695 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCCc5sccc54)C3=O)n2)cc1 9778982 SPSBFWKTWICITJ-OAQYLSRUSA-N 435.513 2.851 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)cc(C)c3)n2)cc1 9844838 RYQOHLKSYNOBLD-UHFFFAOYSA-N 427.526 2.904 0 40 IFAB O=C(Nc1nc2cc3c(cc2s1)OCO3)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10187075 XEVASDVJDMSGFK-NSHDSACASA-N 437.524 2.878 0 40 IFAB COc1ccc([C@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccccc2)cc1 12420634 NPGSJLDIAVZVJF-QHCPKHFHSA-N 443.569 2.713 0 40 IFAB Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)c(C)c1C 12525815 GCYBQXUTFBVIAX-UHFFFAOYSA-N 426.560 2.985 0 40 IFAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCC(c2nc3ccccc3s2)CC1 12567459 SOQIWNDXKZNZIE-UHFFFAOYSA-N 440.525 2.736 0 40 IFAB CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C(=O)N4CCOCC4)CC3)ccc21 12594709 ATGPUGFZQJGZHV-UHFFFAOYSA-N 449.555 2.823 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 12622091 ZFYYURFDNHQWDQ-UHFFFAOYSA-N 434.558 2.943 0 40 IFAB O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2cn3ccccc3n2)CC1 12818748 UEIVDRQFWRVEFA-UHFFFAOYSA-N 435.347 2.603 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccco3)n2CC)s1 12851393 HZTHHKBOGXXDDO-JTQLQIEISA-N 435.535 2.527 0 40 IFAB Cc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 12863080 XNOZQNINWNPSTE-UHFFFAOYSA-N 430.570 2.916 0 40 IFAB CC(C)[C@@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCOCC1 13015064 YFUHICZZEHCLJM-JOCHJYFZSA-N 435.524 2.569 0 40 IFAB O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 13116911 AWQZOFWJOIBIPS-UHFFFAOYSA-N 441.981 2.647 0 40 IFAB CCc1sc2nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)n3ncnc3c2c1C 13551343 JQJQPEPGBBBHKO-UHFFFAOYSA-N 442.570 2.721 0 40 IFAB COc1ccc2c(=O)c(Oc3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3)c(C)oc2c1 13693272 XBLBVBSQZQXPHG-HNNXBMFYSA-N 443.477 2.819 0 40 IFAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCCCN1CCOCC1 13839051 ILVMGQSPEXPWBI-VWLOTQADSA-N 446.551 2.860 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1 13992415 KFMGXALKXSCVEK-UHFFFAOYSA-N 443.503 2.731 0 40 IFAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(C(=O)N2CCCCC2)CC1 14490948 OSOUTIIGZQVQNP-UHFFFAOYSA-N 445.523 2.749 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 14893517 LYDQMKDDLIAVKW-INIZCTEOSA-N 434.489 2.960 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 15391117 VUOOKPLLQMHKSM-KRWDZBQOSA-N 446.525 2.674 0 40 IFAB CCS(=O)(=O)N1CCc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2C1 17316647 NOUMBBDACRKZLA-UHFFFAOYSA-N 434.514 2.673 0 40 IFAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)cc1 18706304 PAIRXUCRYHLNCX-HXUWFJFHSA-N 448.541 2.606 0 40 IFAB COCCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)C3)C1 19743811 HFQYOTHEEVBCGZ-GOSISDBHSA-N 438.528 2.625 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)c4ccccn4)C3)nc2C)c1 19757895 LSHNFTDVPZTLRV-GOSISDBHSA-N 431.496 2.748 0 40 IFAB COc1ccc(NC(=O)c2cnc(C3CCN(CC(=O)N4CCCC4)CC3)nc2C)cc1 19766328 ZTIXTNYNIUVIQG-UHFFFAOYSA-N 437.544 2.848 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20011943 AZIFPNWYMCDNDI-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 23893357 ITWPOUILZJOXHL-UHFFFAOYSA-N 445.903 2.630 0 40 IFAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23956192 MNCFZXUPKATHPQ-MRXNPFEDSA-N 441.578 2.908 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)Nc1ccccc1Cl 24236158 IECDZMBEPIDDDL-AWEZNQCLSA-N 442.855 2.911 0 40 IFAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 24393505 HZHCPJWTGOZXJT-NRFANRHFSA-N 447.557 2.802 0 40 IFAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 28751946 RKGXECVHGCJWCG-JPYJTQIMSA-N 436.556 2.660 0 40 IFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 30583815 UXQNCVSHIUNTAX-UHFFFAOYSA-N 429.261 2.961 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCCC4)nc3)CC2)cc1 31312923 CFCAVCCKYFHWLU-UHFFFAOYSA-N 442.585 2.707 0 40 IFAB Cc1nc2c(C(=O)NC3CC3)nc(-c3ccc(F)cc3)cc2n1[C@H]1CCS(=O)(=O)C1 32616499 NCAINNPUIGMQPF-INIZCTEOSA-N 428.489 2.798 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 32898799 NWOLDQMUBFVIMI-UHFFFAOYSA-N 439.468 2.769 0 40 IFAB COc1ccc2c(COC(=O)c3ccccc3S(=O)(=O)NC(C)C)cc(=O)oc2c1 32947112 MLRMFSPEJQVZCK-UHFFFAOYSA-N 431.466 2.845 0 40 IFAB CNC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1Br 36612897 LGENPGWHPLHYKX-SFHVURJKSA-N 446.301 2.978 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2CCC(Cn3cnc4ccccc43)CC2)n1 36708897 MPLLLWIRXIVJHP-UHFFFAOYSA-N 441.557 2.949 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 38834808 XRFJUBWSQDQXLE-GOSISDBHSA-N 440.905 2.913 0 40 IFAB CCCCNC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 40058341 KSINIHRMRKWDJH-UHFFFAOYSA-N 432.565 2.637 0 40 IFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COC2CCCCC2)c(=O)[nH]c1=O 40140485 PJILYYGPCRXNJO-UHFFFAOYSA-N 428.533 2.801 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44910015 RDRQIDKDNUYQHT-OAQYLSRUSA-N 432.542 2.751 0 40 IFAB CCC(=O)Nc1cc(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 46079298 MXGHLHLCFSZRAE-UHFFFAOYSA-N 434.452 2.935 0 40 IFAB CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cccc4nsnc34)CCCC2)no1 48314005 OQZWHCWKUWQOCQ-UHFFFAOYSA-N 436.563 2.664 0 40 IFAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 57327258 ZLPMWQRWNZGDMF-GOSISDBHSA-N 430.505 2.852 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1 64671448 SDMCUGJTNBMZFE-LJQANCHMSA-N 445.560 2.884 0 40 IFAB CC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c1 67226247 SNEURXUUBYLFEA-ZDUSSCGKSA-N 425.514 2.931 0 40 IFAB CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 72345295 ANIMYFJAWLRIBN-JOCHJYFZSA-N 433.552 2.920 0 40 IFAB C[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@@H]1CNC(=O)OC(C)(C)C 78992504 YSLYKFZVNATWSI-MAUKXSAKSA-N 444.532 2.504 0 40 IFAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 84155156 UQNFOLXNWUIOPG-RBUKOAKNSA-N 438.528 2.997 0 40 IFAB O=C([C@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1)N1CCOCC1 89793868 WORMKLISAYJDIV-GOSISDBHSA-N 431.334 2.729 0 40 IFAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)S(=O)(=O)CC 223885514 QVVXMPZTURESBH-HNNXBMFYSA-N 438.571 2.757 0 40 IFAB COc1ccccc1N(CC(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O 224572347 BLTWMWCDGCKXKQ-UHFFFAOYSA-N 430.577 2.700 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1N1C(=O)CCC1=O 224682727 FWZDHWYFIOATQH-UHFFFAOYSA-N 439.287 2.912 0 40 IFAB COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225347373 ZRHWLXKLMNRDAE-UHFFFAOYSA-N 432.527 2.710 0 40 IFAB CN(C)CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225801889 SPFBXEGVNRYUAO-UHFFFAOYSA-N 439.990 2.995 0 40 IFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(Cc3ccccn3)CC2)Oc2ccccc21 253616709 ODFKUDMPIVWDHG-FBRPZDKASA-N 446.551 2.681 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H]3CCC[C@H](Cc4cnccn4)[C@H]3C2)c1 257231012 GEUWWBOVUXGNOK-DBXWQHBBSA-N 437.544 2.973 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668074 UTHDEBGEEMUFSE-WYZBVHOTSA-N 426.513 2.786 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408671422 YATHBYRLRYKMQZ-XRJOUIEWSA-N 432.904 2.877 0 40 IFAB O=C(NC[C@H](CO)Cc1ccccc1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 502807257 FRCYGWPXZOGDPI-WIYYLYMNSA-N 426.517 2.960 0 40 IFAB Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccccc4C)CC3)C2)c1 585287793 RZXLXZNTHJWBFP-AREMUKBSSA-N 440.584 2.777 0 40 IFAB O=C(Cn1c(=O)n(C2CC2)c(=O)c2cc(F)c(N3CCCCC3)cc21)NC1CCCC1 2087121014 ISJZFFPAENVSBI-UHFFFAOYSA-N 428.508 2.686 0 40 IFAB COCCNC(=O)[C@H]1C[C@@H](NCc2cccc(Cl)c2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241965 XDAMKWILBDRXAK-ONCXSQPRSA-N 434.968 2.572 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)CO)CC2 1558669 FERWCDLDSFOGIE-OAHLLOKOSA-N 431.510 2.557 0 40 IFAB COCCOC(=O)c1sc2ncn([C@@H](C)C(=O)OCc3ccccc3)c(=O)c2c1C 1784807 BYBCWANZWSMDIJ-AWEZNQCLSA-N 430.482 2.874 0 40 IFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n2N)cc1 2397072 GWBKNANBACYEFG-UHFFFAOYSA-N 427.486 2.575 0 40 IFAB CCn1cc(Br)c(CN(C)C(=O)c2cc3ncc(Br)cn3n2)n1 2808832 DWECACWYILMZDQ-UHFFFAOYSA-N 442.115 2.743 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 3289588 OQDWOMRHWDTPPM-UHFFFAOYSA-N 438.461 2.754 0 40 IFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 3415520 AQUHXOKZUCYACO-UHFFFAOYSA-N 440.529 2.547 0 40 IFAB O=C(O)CCCCCN(C[C@H](O)COc1ccccc1)C[C@@H](O)COc1ccccc1 4358520 XIWHNQHSSFOOHH-OYRHEFFESA-N 431.529 2.813 0 40 IFAB CCOCCCn1c(C)c(C)n2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 6195373 SNUIRDSEUBWUPH-UHFFFAOYSA-N 437.544 2.858 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2ccccc21 8593362 WYKCZVHFQBQRCQ-UHFFFAOYSA-N 443.459 2.886 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc(-c3cccs3)n[nH]1)n2CC 8725523 TYHQBSNZFRDTHH-UHFFFAOYSA-N 431.547 2.845 0 40 IFAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 9160505 ZHBOMHNEPYIMJC-MRXNPFEDSA-N 431.496 2.741 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 9497852 HMNOYGWANNCALO-UHFFFAOYSA-N 430.935 2.565 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)s1 9498911 DVJMJNDYTQEGPX-UHFFFAOYSA-N 432.506 2.879 0 40 IFAB CCn1nnc2cc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)ccc21 9782012 MISOHQRTCGIKMX-UHFFFAOYSA-N 440.463 2.592 0 40 IFAB COc1ccccc1OC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 9851303 ONVSBGUCGSWBEM-AWEZNQCLSA-N 430.320 2.518 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(OC)cc2)cc1 10336466 NBNTUNJZRCGGCK-UHFFFAOYSA-N 441.509 2.950 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10546755 DDQCFWHRUOAMOX-GOSISDBHSA-N 426.542 2.674 0 40 IFAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)Cc4ccc5c(c4)OCO5)nn3cn2)cc1 12085078 ZNEIQJIXZDLDKC-CQSZACIVSA-N 431.452 2.949 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c1O 12154100 PTVSBNQOJKGKEB-LJQANCHMSA-N 442.541 2.615 0 40 IFAB O=C(Nc1ccncc1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 12545596 NWHRCFHGNQXGJD-UHFFFAOYSA-N 440.500 2.984 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc(OC)c1OC 12852153 MWSZYCCEEWIIPS-MDZDMXLPSA-N 439.424 2.958 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)c1 12985636 JBSBOSHDLNITBI-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB CC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 13505823 SFWNURZPNBDSCF-UHFFFAOYSA-N 440.500 2.996 0 40 IFAB CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@H]1c1ccccc1Cl 13566259 SFASTPMVWDRHJS-LBPRGKRZSA-N 425.923 2.737 0 40 IFAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)s1 13944698 ALDHYAJKZWULKI-AWEZNQCLSA-N 443.529 2.594 0 40 IFAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 14125850 ZQBFRVOZRRAAJI-UHFFFAOYSA-N 430.936 2.924 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)C2CC2)cc1 16046990 SXCQQDMORURPFM-JOCHJYFZSA-N 446.507 2.831 0 40 IFAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 16780773 LNESYVHTWIACKE-UHFFFAOYSA-N 445.585 2.908 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 16977708 PUADGDJMWTUKTN-FQEVSTJZSA-N 442.516 2.863 0 40 IFAB Clc1ccc(N2C(c3ccccc3)=N[C@H](N3CCOCC3)[C@@H]2N2CCOCC2)cc1 19329939 FLJXMLYQHFFFEJ-DHIUTWEWSA-N 426.948 2.923 0 40 IFAB O=C(CN1CCC[C@@]2(CNC(=O)c3ccccc3O2)C1)Nc1ccccc1OC(F)F 19374796 XWZJWCSLBPLWRT-JOCHJYFZSA-N 431.439 2.884 0 40 IFAB CC(C)c1ccc(CN2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 19453258 CIHYLNRTAJBKAB-OAQYLSRUSA-N 444.601 2.938 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cccc(C)c1 20801470 RTQZSXIMYZPWRP-RTWAWAEBSA-N 438.503 2.663 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1 21280709 GWBGPWXRDGXYKK-UHFFFAOYSA-N 426.469 2.663 0 40 IFAB O=C(COc1ccccc1)NCCN1CCN(c2nc3c(F)cc(F)cc3s2)CC1 22852776 BKDJGOPPEVXUSV-UHFFFAOYSA-N 432.496 2.892 0 40 IFAB COc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c1 23107685 KWLRNCYRTHIHFR-HSZRJFAPSA-N 433.508 2.977 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 23477232 BGOWJHVQMRBEIU-UHFFFAOYSA-N 436.965 2.658 0 40 IFAB CCC(=O)NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 24751695 NXJJHFZXTQEMTL-QPEQYQDCSA-N 430.313 2.672 0 40 IFAB C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25901405 PCORALLRVOMANM-SJLPKXTDSA-N 429.542 2.788 0 40 IFAB CC(C)[C@H](CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 26302127 ILACQYVNNXBJBD-IBGZPJMESA-N 428.499 2.894 0 40 IFAB O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cccnc1N1CCOCC1 32637879 URNSFRVTNFKLEX-UHFFFAOYSA-N 425.464 2.746 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 32863081 QRBVRAVZAFHIIF-KRWDZBQOSA-N 445.541 2.543 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CN3CCC[C@@H]3c3cccs3)CC2)cc1 35361551 CXRMBOXVDCGMIY-HXUWFJFHSA-N 426.586 2.976 0 40 IFAB C[C@@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 40150396 GFAXKPUUWYFLJE-KRWDZBQOSA-N 446.544 2.728 0 40 IFAB Cc1cc(NC(=O)Cc2noc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)no1 40266512 UARNEBPKEMTGBH-UHFFFAOYSA-N 428.836 2.654 0 40 IFAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44852695 MVFZNYDLDZAWRR-LIRRHRJNSA-N 438.933 2.759 0 40 IFAB CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1 72345687 MPDVKPATHALUME-QGZVFWFLSA-N 446.555 2.574 0 40 IFAB Cc1ccc(-c2cccc(C[C@]3(C(=O)NC(C)C)CN(C(=O)c4nc[nH]n4)CCO3)c2)cc1 72389164 UFRYQTLRXFRURH-RUZDIDTESA-N 447.539 2.759 0 40 IFAB C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 95454649 LSTGZMIGYBXFES-UKRRQHHQSA-N 426.510 2.733 0 40 IFAB CCn1c(S)nc2cc(C(=O)Nc3cnn(Cc4cn5ccccc5n4)c3)ccc2c1=O 103469662 SMXJYEITHBSDTI-UHFFFAOYSA-N 445.508 2.850 0 40 IFAB COc1cc(/C=c2/s/c(=C\C(=O)c3ccncc3)[nH]c2=O)cc(Cl)c1OC(F)F 104548315 UAQLIPAGQGCTTJ-MICXRRPDSA-N 438.839 2.587 0 40 IFAB COc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1OC 220149208 NAQAKYOSBZPLBD-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(C)c1C 224237254 DBURXAXKEZVZJV-UHFFFAOYSA-N 442.559 2.808 0 40 IFAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224314706 BITFISCWWQZZTB-GOSISDBHSA-N 432.542 2.742 0 40 IFAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 225617429 NKUHHUKNYDRALS-UHFFFAOYSA-N 434.905 2.669 0 40 IFAB CC(C)c1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257289109 PWZQFSJLLBZZGY-GOTSBHOMSA-N 441.620 2.539 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 257310426 UFAKMUILHBDRAQ-RUZDIDTESA-N 445.523 2.987 0 40 IFAB O=c1c(=O)n2c(nn1Cc1cccs1)[C@]1(CCN(Cc3ccccc3Cl)C1)CC2 306134799 NYJPJCDXBMHFRT-OAQYLSRUSA-N 428.945 2.716 0 40 IFAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306138427 RXGWGZYRQUZFFH-NLFFAJNJSA-N 444.539 2.913 0 40 IFAB Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)s1 306138752 SGIIZUPYOWHMGU-JOCHJYFZSA-N 428.606 2.801 0 40 IFAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)NC1CCCCC1 408593905 QNWNLQRCCBQXAM-OAHLLOKOSA-N 445.541 2.803 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 409054406 JMVRNGYYBNHNOK-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB CCOc1cc(CO)cc(I)c1OS(=O)(=O)c1ccccc1 409110635 XHFQFMOCOHYWGU-UHFFFAOYSA-N 434.251 2.950 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCCN(Cc5ccccc5)C4=O)CC3)n[nH]2)o1 501800134 QCRHOUTWQYNUMV-JOCHJYFZSA-N 447.539 2.927 0 40 IFAB Cc1c(C)c2ccc(OCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)c(C)c2oc1=O 524729181 HPEYOMHRHYKCSP-HBFSDRIKSA-N 438.524 2.956 0 40 IFAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1nnc3ccc(OC(C)C)nn13)CC2 524733655 AMDULWLXOWAOSH-INIZCTEOSA-N 425.489 2.665 0 40 IFAB O=C1NC[C@@H]2CN(c3nnc(Cn4ccc5ccccc54)n3CCc3ccccc3)CCN12 549559601 VWDJSTCVJCUHQW-OAQYLSRUSA-N 441.539 2.738 0 40 IFAB CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1csc2ccccc12 575622432 YSYBZFJYBWBCSQ-KRWDZBQOSA-N 425.510 2.665 0 40 IFAB O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)Nc1ccc(F)cc1)C2 604381740 MJGGWDLVQMWSFQ-HXUWFJFHSA-N 439.491 2.661 0 40 IFAB biogenic,in-vitro COc1cc(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)cc(Br)c1OC 608011712 XLRBXJFBRDBEBW-OAQYLSRUSA-N 449.345 2.720 0 40 IFAB COc1ccc(N[C@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4c(c2)CCO4)C3)cc1 2056223866 IIOUTOGKEFGZLI-QGZVFWFLSA-N 432.567 2.991 0 40 IFAB C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O 2068153 XSNLHIWRTQZZSU-PZKYHXORSA-N 434.286 2.595 0 40 IFAB COC[C@H](C)n1c(SCC(=O)NC(=O)NC2CCCCC2)nc2ccccc2c1=O 2624142 MTLUCCDYRHQDDN-AWEZNQCLSA-N 432.546 2.855 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3316892 WHRSAPTZPXCTEM-UHFFFAOYSA-N 442.537 2.997 0 40 IFAB O=C(c1ccc2[nH]cnc2c1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 6147968 ZJFVKYDKPQKYNL-UHFFFAOYSA-N 438.431 2.728 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)c1 9327522 WMOUTZFPIPYWRA-UHFFFAOYSA-N 436.497 2.534 0 40 IFAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 9435868 VKLHBYVJUOBBGV-UHFFFAOYSA-N 441.553 2.531 0 40 IFAB COCCCn1c(C)cs/c1=N\c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9540507 LTPHAAFAXWLIRY-ZZEZOPTASA-N 445.994 2.801 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCC1 9633844 IVOHHIZPYAZLQM-INIZCTEOSA-N 449.573 2.599 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 9844743 BEWQURXKJVMBRA-UHFFFAOYSA-N 443.525 2.605 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 10186690 FWILMLWUTCUVDI-UHFFFAOYSA-N 439.537 2.833 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)o1 10187046 JJGKRLLKHSJPFP-ZDUSSCGKSA-N 434.499 2.599 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2cc(OC)ccc2OC)n2nnnc2N3)cc1 10295949 SXHWPGBUVVDPNV-HXUWFJFHSA-N 447.455 2.946 0 40 IFAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)c2cc(C(F)(F)F)n(C)n2)cc1 12231162 HGQCNWSSUQLHMG-UHFFFAOYSA-N 432.406 2.528 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)ccc1Cl 12765387 ASYNYUHIRLLDEP-INIZCTEOSA-N 430.357 2.934 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 12796777 SJUMZCNXYGSMIA-UHFFFAOYSA-N 425.510 2.849 0 40 IFAB COc1cc(OC)c(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1Cl 12884115 UCGHFUMXNGRWGZ-OAQYLSRUSA-N 429.860 2.905 0 40 IFAB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12980847 CCTAKJOGCPDORK-UHFFFAOYSA-N 448.516 2.704 0 40 IFAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC 14230858 UDHIDSZWVDAVFQ-UHFFFAOYSA-N 428.510 2.794 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15969991 WNYSZEZUHUALTK-MSZDEVHKSA-N 442.519 2.931 0 40 IFAB biogenic CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16024787 VRZPEEWGOMJIFO-XHOYROJHSA-N 437.927 2.959 0 40 IFAB Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)cc1 19135694 RPPHNTCDRIWCSO-VQIMIIECSA-N 434.540 2.905 0 40 IFAB COCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(s1)CCc1c-2cnn1C 19289598 XFLVJPJQEPMBIA-UHFFFAOYSA-N 426.498 2.707 0 40 IFAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19404869 JPIOMHIEZYXPAR-FQEVSTJZSA-N 435.528 2.607 0 40 IFAB CC(C)n1cc(C(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cn1 19454891 FBTUNQXAVJVXMW-DEOSSOPVSA-N 432.528 2.871 0 40 IFAB COc1ccc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)cc1Cn1ccnc1 19559486 ISOKPTDATBDZAS-INIZCTEOSA-N 447.586 2.575 0 40 IFAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 20726090 SVLVSWGCULQKJA-UNMCSNQZSA-N 435.480 2.586 0 40 IFAB CC(C)n1c(N2CCN(S(=O)(=O)C(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 20744523 SJIJEWLTSQAQCJ-UHFFFAOYSA-N 438.619 2.778 0 40 IFAB NC(=O)c1c(NC(=O)COC(=O)CCc2nc(-c3ccsc3)no2)sc2c1CCC2 22016263 VTWFKYUNYWPFAK-UHFFFAOYSA-N 446.510 2.562 0 40 IFAB O=C(CN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1)N1CCCCC1 22697498 KUGNFKARQGDQQJ-UHFFFAOYSA-N 428.758 2.873 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1C 22911939 OXUSWGWGWUNXAB-QGZVFWFLSA-N 441.528 2.578 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc1OC 23125970 ZOIYJTGMFVEDCQ-UHFFFAOYSA-N 438.440 2.551 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c1C 23469928 GMIIURNEIUUMGP-MRXNPFEDSA-N 443.500 2.725 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c(OC)c1 32768809 JKFHDGATIYMHHI-IBGZPJMESA-N 433.530 2.794 0 40 IFAB CCOC(=O)C1=C(Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@@H]1c1ccccc1 32823765 UWZKFLQKHSILLE-GOSISDBHSA-N 438.415 2.514 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)OCc3ccc(F)cc3)CC2=O)cc1 32867740 RHVSBRPCYJUSOZ-QGZVFWFLSA-N 448.516 2.953 0 40 IFAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)COc2ccccc21 32966502 WXKQLVKOUICENX-UHFFFAOYSA-N 429.889 2.984 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)ccc1OC 44872388 OAYKVEAEGKYRSB-UHFFFAOYSA-N 431.558 2.519 0 40 IFAB Cc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c(Cl)c1 49421706 VYKXKKWANIAFDG-UHFFFAOYSA-N 435.864 2.816 0 40 IFAB COc1ccccc1OCCNC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1 72403977 AUUDMYISVLINGO-UHFFFAOYSA-N 430.464 2.657 0 40 IFAB COc1ccc(C2(CNC(=O)CCN3C(=O)CC4(CCCC4)C3=O)CCOCC2)cc1 79490658 CSXGHNZPKKFGOF-UHFFFAOYSA-N 428.529 2.569 0 40 IFAB COc1cc(OC)c2cc(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2c1 94992913 LYKVXGQCHFBANP-CYBMUJFWSA-N 439.468 2.724 0 40 IFAB O=C(Cc1ccccc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 96251419 JBNRVXIKCLQCJV-NVQXNPDNSA-N 432.568 2.896 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1cccc(F)c1 96521139 DBWUSOPXQADLMA-UWVGGRQHSA-N 437.068 2.778 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)c(Cl)c1 101389095 WOKMULVKYFUXJI-DLBZAZTESA-N 433.802 2.859 0 40 IFAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1ccc(F)cc1 101470040 JFNDATCYSPBWPE-CALCHBBNSA-N 447.532 2.665 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1OC 223255808 BAYZHXVEEIFRHX-HNNXBMFYSA-N 432.542 2.690 0 40 IFAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 225867441 ALBWDIHHQQEFMM-UHFFFAOYSA-N 426.564 2.831 0 40 IFAB CO[C@@H]1/C=C/[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@@H](C)[C@H](C)CC/C=C/1C 253390072 XBLHNZRXAORYAC-RLBGWEEZSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCOC3)nc(O)c2C1 253599143 LLHPURFMCDPYMB-MAUKXSAKSA-N 428.558 2.810 0 40 IFAB CC1(C(=O)N2CCC[C@@H]2c2n[nH]cc2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 257248211 JCQKBRHRSYUMHS-GOSISDBHSA-N 430.574 2.779 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3ccc4c(c3)OCO4)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306144415 ZEPCGEWVVUXWIX-DVECYGJZSA-N 440.544 2.657 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)c1C 390828693 BQNUQDFUUIJYTA-UHFFFAOYSA-N 442.541 2.757 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408671380 XYQLUGNTBPRWJI-XRJOUIEWSA-N 430.888 2.653 0 40 IFAB CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)O 408983352 BFNWMPWGLRJVTO-FQEVSTJZSA-N 441.509 2.980 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 409245331 QZWHEJRCYCHVKT-MKMNVTDBSA-N 429.816 2.609 0 40 IFAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)C2)nc1 519997706 CUWJXYQVQDCLCN-QGZVFWFLSA-N 425.514 2.615 0 40 IFAB O=C(c1n[nH]c2ccccc12)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643554877 OONWODYWLPFFIU-VWLOTQADSA-N 448.523 2.696 0 40 IFAB CC(C)c1nc2ccccc2n1CC(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 2037880255 ZLWQASRYZSQOFF-QHCPKHFHSA-N 425.508 2.842 0 40 IFAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(NC[C@@H]1CCCO1)n2Cc1ccccc1 641012 HQLAVNBTTDGILO-FQEVSTJZSA-N 445.523 2.584 0 40 IFAB CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)NC3=NCCS3)c2)CC1 2626261 UBJJJWQSZYGHAV-UHFFFAOYSA-N 446.392 2.702 0 40 IFAB CC(C)CCn1nc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2c1=O 3375641 RRORMBLMSMINFE-UHFFFAOYSA-N 449.463 2.813 0 40 IFAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 8636201 LWHRKRHSHZKQFC-WRALFONMSA-N 435.616 2.762 0 40 IFAB biogenic,in-vitro COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 9061177 HQBOKXDQAJGRPX-OLZOCXBDSA-N 428.885 2.578 0 40 IFAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 9216874 LHUGVOQXHIHALB-XOBRGWDASA-N 443.525 2.940 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCc1ccc2c(c1)OCCO2 9377025 WOBZMGPLJDYJTH-UHFFFAOYSA-N 430.526 2.523 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 9665967 HUNRUGGDVNUWMC-LFPIHBKWSA-N 449.463 2.848 0 40 IFAB Cc1cc(C)cc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9742986 CWKWBMWYPADCOM-HXUWFJFHSA-N 443.569 2.992 0 40 IFAB COc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c(OC)c1 9828803 QZGRLBUXMPTYOZ-UHFFFAOYSA-N 437.500 2.581 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3Cl)C2=O)cc1 9835935 ZJBQNIKHKONWPX-MSOLQXFVSA-N 427.848 2.671 0 40 IFAB Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1 9869291 YWLYSZQCQFALGJ-UHFFFAOYSA-N 437.949 2.743 0 40 IFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)c(Cl)c2)C1=O 12006075 KZVOHINKRKNKNE-LLVKDONJSA-N 436.873 2.676 0 40 IFAB CCn1c(SCC(=O)N2CCCCC2)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21 12413737 UNHRJFCDSZFQAA-UHFFFAOYSA-N 430.530 2.580 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1NC(C)=O 12521001 MRQRAYUAQOIGPD-UHFFFAOYSA-N 427.486 2.659 0 40 IFAB COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(OC)c1OC 12855544 RRRPIDVLZNRQOP-OAHLLOKOSA-N 427.501 2.908 0 40 IFAB O=C(Cn1nc(-c2ccccc2)c2sc(N3CCOCC3)nc2c1=O)Nc1ccccc1 13037118 OKJXGGHKLIECJE-UHFFFAOYSA-N 447.520 2.995 0 40 IFAB COc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c1 13992326 AAQZOZFKDRINQY-UHFFFAOYSA-N 433.439 2.998 0 40 IFAB Cc1ccccc1SCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14184504 UBGGPGFCHQZGJU-UHFFFAOYSA-N 426.510 2.898 0 40 IFAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 14388674 YRUIWBWLSKKIPD-AWEZNQCLSA-N 438.933 2.861 0 40 IFAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccnc1N1CCOCC1 14529021 HRIHVCMOZRGUMD-UHFFFAOYSA-N 429.830 2.827 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 15132826 WIOUKZQTXAQRBK-MRXNPFEDSA-N 448.541 2.524 0 40 IFAB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16024789 VRZPEEWGOMJIFO-KTIHBUSBSA-N 437.927 2.959 0 40 IFAB COc1ccc([C@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c2nccn2C)cc1 16476063 RBZUIDRSYGSPOF-FQEVSTJZSA-N 443.463 2.791 0 40 IFAB O=S(=O)(c1ccc(OCCSc2ncnc3sccc23)cc1)N1CCOCC1 16806753 SBPMILKVSZRNSJ-UHFFFAOYSA-N 437.568 2.883 0 40 IFAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 18700328 JIDLHONBGCGGOE-CQSZACIVSA-N 449.960 2.736 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CN3CCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 19751953 QERWILWNZWNLNK-IBGZPJMESA-N 439.535 2.656 0 40 IFAB O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2 21942430 ZOPFLUQBPOYKRB-UHFFFAOYSA-N 435.461 2.811 0 40 IFAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2ccc(Br)s2)CC1 22788398 IJPFXQPJPPEIMP-UHFFFAOYSA-N 426.380 2.905 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N1CCCc2ccccc21 22886801 MZFBVRGHTONAFX-MRXNPFEDSA-N 447.582 2.563 0 40 IFAB CCc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 22929622 WQKWQQRBVBUYLY-NJYVYQBISA-N 428.621 2.548 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 23013807 NNJCWCLQLPXKPE-UHFFFAOYSA-N 447.532 2.892 0 40 IFAB O=C(N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1)C12CC3CC(CC(C3)C1)C2 23134728 ONTPRHUBGDXBRK-UHFFFAOYSA-N 442.514 2.801 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@H]1C 28721447 CPQOUQXNDVHRHR-NSYGIPOTSA-N 443.551 2.940 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4cccc(Cl)c4)cnc3c2)CC1 32105549 MMZKATZLTFRFNS-UHFFFAOYSA-N 440.887 2.953 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1 32747346 YCMXGUCRELEVEG-UHFFFAOYSA-N 427.265 2.762 0 40 IFAB Cc1ccc2[nH]c3c(=O)n(CC(=O)NC4CCN(Cc5ccccc5)CC4)cnc3c2c1 35423499 IBPUYABCUZJSMN-UHFFFAOYSA-N 429.524 2.967 0 40 IFAB CN1CCC(NC(=O)CCn2c(=O)cc(C(F)F)c3cn(Cc4ccccc4)nc32)CC1 36621310 SFPAJQZWRRNIJJ-UHFFFAOYSA-N 443.498 2.784 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc1OC 67226221 GSPLFDAXPDVAQR-CYBMUJFWSA-N 443.529 2.745 0 40 IFAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)N1CCN(c2ccccc2F)CC1 71769053 ICGQLCBZMVZLSN-UHFFFAOYSA-N 426.467 2.681 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC(F)F 71850222 DLCJADDWWDPIDM-ZDUSSCGKSA-N 446.497 2.828 0 40 IFAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)Cc2nonc2N)C1 72391285 KLCGDYWXSPCUFQ-VWLOTQADSA-N 447.539 2.801 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=S)N(C)Cc1cc2cccc3c2n(c1=O)CCC3 80350647 IOFMYSQRQKUCJF-QGZVFWFLSA-N 433.599 2.549 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCN(C[C@H]4COCCO4)CC3)c(C(C)(C)C)n2)cc1 84177493 QFBHKLIQZPJCHD-FQEVSTJZSA-N 426.561 2.651 0 40 IFAB COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(C(C)=O)CCN4C(C)C)n3c2)cc1 96268094 KSZDBIODHAJNMS-FQEVSTJZSA-N 436.516 2.604 0 40 IFAB O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(Cc2ccncc2)CC4)C1 100233653 KABCDEAAUUJDFP-SFHVURJKSA-N 432.528 2.504 0 40 IFAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 100235053 FHRVTIBMWSJZFC-DDUZABMNSA-N 425.533 2.685 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21 223065923 KGFPHAPMRYKKFM-WEVVVXLNSA-N 439.581 2.870 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)ccc1OC 223905903 KQAUMECPMROWPS-UHFFFAOYSA-N 444.513 2.624 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)[C@H]4C2=O)c1 245227229 HDJFCOMZLLMTGQ-CHSJKXJWSA-N 438.524 2.580 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 257204596 AVJRJUWJOREATH-HNNXBMFYSA-N 441.557 2.571 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)COc2cccc(F)c2)(c2ccccc2)CC[C@@H]1O 257257746 KQXAJVGCBZTJSH-FIXSFTCYSA-N 428.504 2.698 0 40 IFAB COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O 408549827 ZVNVYEALWCUKHY-YBFXNURJSA-N 446.463 2.654 0 40 IFAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409065313 FXYRDBUJWRNRNV-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB CCn1c(O)nc2cc(C(=O)N3CC[C@@]4(CCN(Cc5ccccc5)C4)C3)ccc2c1=O 553504462 MKTIUHIFLZCKKW-RUZDIDTESA-N 432.524 2.860 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)NC3CC3)nnc12 1325895 XOTRPMPLQOPPFJ-GJZGRUSLSA-N 440.573 2.844 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)cc1 3354491 AZNWTUSBDPUPAC-UHFFFAOYSA-N 433.306 2.917 0 40 IFAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)cc2c1 6148967 OZECXOVGFVIECL-GHTZIAJQSA-N 438.532 2.524 0 40 IFAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3C=NN2[C@@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN21 9076016 UEGOQIIYBYDIQE-ZDNVTZCJSA-N 432.480 2.645 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)Cc1ccccc1 9125138 OHLRPGGOJDCNOO-UHFFFAOYSA-N 432.318 2.513 0 40 IFAB CC(=O)NCc1ccc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2C)cc1 9245577 RRXLJEXKPIDINL-FQEVSTJZSA-N 438.509 2.939 0 40 IFAB CCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2c1=O 9364149 VNWQLMANPNIOKL-UHFFFAOYSA-N 440.525 2.843 0 40 IFAB CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nc2ccccc21 9378199 YTKGQMWAQNVONU-UHFFFAOYSA-N 449.536 2.522 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 9503108 JZAUTYTZNPEBFR-AWEZNQCLSA-N 449.960 2.928 0 40 IFAB COc1ccc(C)cc1CCNC(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 9513183 NATAAIXYRFOMRQ-UHFFFAOYSA-N 440.544 2.663 0 40 IFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 9727883 PPRRLQOQRHGKKG-WIOPSUGQSA-N 449.507 2.665 0 40 IFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(S(=O)(=O)N2CCCC2)c1 9779650 PNRZNLXCLOPTPZ-UHFFFAOYSA-N 431.905 2.958 0 40 IFAB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9951563 YJYWURYYWCRXTG-SNVBAGLBSA-N 437.934 2.892 0 40 IFAB COC[C@H](C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11121012 TUXYJXZIMIBZCI-LBPRGKRZSA-N 439.331 2.776 0 40 IFAB C[C@H](C(=O)N1CC[C@@H](c2ccccc2)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12086031 KDKJTALXJLMTFF-YMJPAYASSA-N 446.551 2.955 0 40 IFAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)[C@@H]1CCC2 12183452 LTIMNWGRGKJVTN-DENIHFKCSA-N 432.542 2.513 0 40 IFAB NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)c2cccc3ccccc23)c1N 12480831 VCJBUWPDDHHUNQ-UHFFFAOYSA-N 437.525 2.683 0 40 IFAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12796174 YBUGDUCEJAVDDO-KRWDZBQOSA-N 427.501 2.766 0 40 IFAB COCCNC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 12821174 ZHSSDCGENVYJEP-UHFFFAOYSA-N 438.575 2.754 0 40 IFAB Cc1ccc(-c2nc(C(N)=O)c3c(n2)n(C(C)C)c(=O)n3CC(=O)c2ccc(F)cc2)o1 13227429 XBYSLAKHOWAKGI-UHFFFAOYSA-N 437.431 2.863 0 40 IFAB CCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 13568161 XJKDWQCREWXZRC-UHFFFAOYSA-N 426.464 2.792 0 40 IFAB CC(C)CC[C@@H](C)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 14640556 AXNVRNQRWJJLSO-QGZVFWFLSA-N 434.558 2.992 0 40 IFAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3CCOCC3)C1)N2 19084040 LRNWZPPVISTQPJ-YESZJQIVSA-N 439.551 2.742 0 40 IFAB Cc1ncc(C(=O)NCc2ccccc2)c(CCNS(=O)(=O)c2ccc(F)c(C)c2)n1 19697226 VEONPIFBFRAVIU-UHFFFAOYSA-N 442.516 2.684 0 40 IFAB O=C(NCCCN1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 20034718 BCWOYCYBDDBXRM-UHFFFAOYSA-N 439.597 2.750 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 20244757 RBVDGUMQIIAKLZ-UHFFFAOYSA-N 433.530 2.650 0 40 IFAB Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 20493697 BFAYPZFIEPOTTJ-UHFFFAOYSA-N 432.542 2.733 0 40 IFAB Cc1sc2nc(CN3CCOCC3)nc(-n3nnc(-c4ccc(F)cc4)n3)c2c1C 23983819 CRUDXEBWTKYXTI-UHFFFAOYSA-N 425.493 2.922 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnnn1CCc1cccs1)CC2 29556687 BQJMPIAMUBOQQB-UHFFFAOYSA-N 445.570 2.672 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 32741925 DUHZRLOXPZCVJI-UHFFFAOYSA-N 425.514 2.868 0 40 IFAB COc1cc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc(OC)c1OC 32930454 HPPWQGFAHRWUQC-IRXDYDNUSA-N 443.544 2.970 0 40 IFAB CC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 46005244 KDWJZHRZRWBSOP-UHFFFAOYSA-N 430.420 2.733 0 40 IFAB Cc1oc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1S(=O)(=O)N1CCCC1 48278289 KALJWGCDZSTQFJ-UHFFFAOYSA-N 428.514 2.531 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)c1 57426802 YIZZNMXOUPIOMY-UHFFFAOYSA-N 427.526 2.731 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccnn2Cc2ccsc2)cc1 58251447 YLFLGGGBLUNNKW-UHFFFAOYSA-N 434.543 2.699 0 40 IFAB Cc1ccnc(NC(=O)CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 58324872 XKWBBONGICLATI-UHFFFAOYSA-N 427.482 2.668 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 64591344 WQSSHXCODFNBBO-UHFFFAOYSA-N 448.435 2.548 0 40 IFAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccccc4C(C)C)c(=O)c3s2)CC1 67225989 LOSWETVDCBEBIT-UHFFFAOYSA-N 440.573 2.757 0 40 IFAB COc1ccc(CC(=O)N2Cc3cn(C)nc3[C@H](C(=O)Nc3ccccc3OC)C2)cc1 72345626 OKUYMENVTRLNGC-LJQANCHMSA-N 434.496 2.745 0 40 IFAB CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 89661918 HPZSBYIAKJZZMZ-ARFHVFGLSA-N 428.938 2.899 0 40 IFAB CN(c1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)S(C)(=O)=O 95993304 DZHJTUVKKUMXGS-QGZVFWFLSA-N 439.541 2.887 0 40 IFAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O 96144386 HPIFXEHZLGBPOB-RUZDIDTESA-N 433.556 2.766 0 40 IFAB O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)n1ccccc1=O 199403313 QGERDIPXJGPTNF-QFIPXVFZSA-N 437.446 2.899 0 40 IFAB CSc1nnc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)s1 222810193 WGPNCHZWDXLCLD-UHFFFAOYSA-N 426.467 2.684 0 40 IFAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)s1 223294413 KMEBXINUKUWDDG-UHFFFAOYSA-N 444.343 2.919 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2nnc(SCc3ccccc3)s2)CC1 224835999 JVABHMXALDIVGS-UHFFFAOYSA-N 426.589 2.831 0 40 IFAB Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1C 225180410 JDNJPYLSXIQASN-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 225513810 OCHMAAPVPVDJPD-MRXNPFEDSA-N 432.498 2.521 0 40 IFAB COc1cccc(N(CCCC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)c1 225812378 RCYZHOSQQGXPNR-UHFFFAOYSA-N 445.585 2.810 0 40 IFAB COc1cc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c(OC)cc1Cl 408618459 JNCXCPDHJZUCTM-UHFFFAOYSA-N 440.905 2.965 0 40 IFAB COC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 408626042 KLHNECKBKRYWBI-CQSZACIVSA-N 426.922 2.695 0 40 IFAB COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 409266728 RAYFWDADOOBLQB-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB CCc1nccn1CC(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643560170 NQSZKKMYKUCJAF-VWLOTQADSA-N 438.572 2.976 0 40 IFAB C[C@@H](Cc1ccccc1)n1cccc1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1638887686 PFGMSORSRMZIST-GHTZIAJQSA-N 446.617 2.976 0 40 IFAB COc1ccccc1NC(=S)N(CCO)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895324 JCJXGNWDHFHGNJ-UHFFFAOYSA-N 443.525 2.745 0 40 IFAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN(C)C)CC(=O)N32)c1 2157423 QKRMGQWGVIDUHD-WIOPSUGQSA-N 446.551 2.813 0 40 IFAB biogenic Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(Cl)c1 2221606 IHMTXWNXRPHWRF-UHFFFAOYSA-N 437.934 2.514 0 40 IFAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1 2650073 PHHLHFDGJDXROI-UHFFFAOYSA-N 425.492 2.802 0 40 IFAB Cc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 3392764 PICMXSFLILVZCT-UHFFFAOYSA-N 430.526 2.643 0 40 IFAB O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3433548 GZVZGKQVCUOGFR-UHFFFAOYSA-N 443.352 2.987 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCc3ccccc32)cc1 8635723 UXNPLFMIGAAHOB-PWRODBHTSA-N 441.597 2.747 0 40 IFAB biogenic,in-vitro CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)cc1 8770478 LKSJZPRTSYDNJA-KRWDZBQOSA-N 426.494 2.939 0 40 IFAB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCC(=O)O 8812374 ZYBNXGFSUVBQJL-DNTJNYDQSA-N 425.210 2.824 0 40 IFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 8888321 QPLWJVFJFYAMHG-CQSZACIVSA-N 438.436 2.681 0 40 IFAB CCOC(=O)c1ccc(OS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 9506853 ZWUPYNZJZOJNBH-UHFFFAOYSA-N 442.467 2.574 0 40 IFAB COc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1S(=O)(=O)N1CCOCC1 9605281 PORPALYGXBQDEU-UHFFFAOYSA-N 448.516 2.660 0 40 IFAB NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 9664103 NMWZVMVGDKGJOU-CYBMUJFWSA-N 433.511 2.775 0 40 IFAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031356 MKPVHGGRRVTCKQ-LBPRGKRZSA-N 449.884 2.831 0 40 IFAB CN(C)c1nc2c(c(N3CCn4c(nnc4C4CC4)C3)n1)CN(Cc1ccccc1)CC2 12325766 YRCDYKVTRNJORP-UHFFFAOYSA-N 430.560 2.590 0 40 IFAB Cn1c(=O)c2c(-c3ccccc3Br)n(-c3ccccc3CO)cc2n(C)c1=O 12428161 OZFLWCOBZXQSOY-UHFFFAOYSA-N 440.297 2.950 0 40 IFAB C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 12622621 OGSGQUWTIPJURQ-LURJTMIESA-N 431.663 2.907 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1 12795283 WBANSQOOKFFYCT-UHFFFAOYSA-N 443.525 2.640 0 40 IFAB CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C 12850073 LUHULOXRKHYCRM-INIZCTEOSA-N 435.546 2.996 0 40 IFAB COC(=O)c1ccccc1NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13012211 FUPWRYVSQMEPKN-UHFFFAOYSA-N 435.477 2.541 0 40 IFAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c1 13163915 BCWVMSQSLUHBNK-UHFFFAOYSA-N 426.480 2.981 0 40 IFAB COC(=O)Cc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O 13639842 MAEJTWXLPYFVJP-UHFFFAOYSA-N 432.524 2.705 0 40 IFAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 14578486 DQOQJWNVQQPRHQ-IBGZPJMESA-N 432.498 2.648 0 40 IFAB Cc1nc(C)n(CCC(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)n1 19285985 NGXQEWWCLVHGLS-UHFFFAOYSA-N 426.546 2.578 0 40 IFAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)CCN2CCC(C)=N2)CCNC1=O 19461981 OKHYCLSTAWBXHR-NRFANRHFSA-N 448.567 2.951 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccccc1 19632749 HCCYBOLXZWVINL-UXHICEINSA-N 440.931 2.868 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccccc1 19632754 HCCYBOLXZWVINL-PMACEKPBSA-N 440.931 2.868 0 40 IFAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)C2 19707303 TZLOVQVJTBRQQR-IBGZPJMESA-N 439.535 2.715 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1 19710165 MHWNEIKMCIWQIM-UHFFFAOYSA-N 430.578 2.614 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccccc1Cl 22228801 MEYIQOSJRMGWSX-UHFFFAOYSA-N 449.960 2.812 0 40 IFAB CCC[C@@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@H]1CCCO1 24959409 BOPQELSVVLSOTB-GDBMZVCRSA-N 447.557 2.759 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 25024261 AVYSRGHHBPTBIV-UHFFFAOYSA-N 440.521 2.811 0 40 IFAB COC(=O)c1cccc2c1CCCN2C(=O)CCCN(C)S(=O)(=O)c1cccs1 25194140 IADBXRUIGAPVOU-UHFFFAOYSA-N 436.555 2.915 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 28340927 BBQFCRCEWJOBCV-CQSZACIVSA-N 425.551 2.501 0 40 IFAB O=S(=O)(c1ccc(Br)s1)N1CCN(c2cnc3ccccc3n2)CC1 30762349 YYDRJPVXUQHWDX-UHFFFAOYSA-N 439.360 2.965 0 40 IFAB CCn1c(SCC(=O)N2CCOCC2)nnc1[C@@H](NC(=O)c1ccccc1F)C(C)C 32579298 IANQMUQCDPLCPC-SFHVURJKSA-N 449.552 2.515 0 40 IFAB O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 35289653 KWLQFGQQKDLMJI-UHFFFAOYSA-N 427.507 2.752 0 40 IFAB CSCC[C@H](NC(=O)CCCn1nnc(-c2ccccc2)n1)c1nnc2ccccn12 69923658 MAZBWUABADYAHU-KRWDZBQOSA-N 436.545 2.774 0 40 IFAB C[C@H](NC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc2c(c1)OCCO2 71835131 TWIMERKDCUROMU-YSSFQJQWSA-N 447.491 2.909 0 40 IFAB CCC(CC)C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccncc1)C2 72399111 MOZDOMCIJSUVPH-FQEVSTJZSA-N 437.544 2.853 0 40 IFAB O=C(NCCn1ccc2ccc(F)cc21)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 72401480 CZKUJVDXMLNDOI-SFHVURJKSA-N 429.517 2.998 0 40 IFAB CN(CCCC(=O)n1ccc(=NCC(F)(F)F)cc1)S(=O)(=O)c1ccc(F)cc1 89340328 LBXSZVQAEMVKCT-UHFFFAOYSA-N 433.427 2.831 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc1 90610121 QSJMUOKAVSWYIL-UHFFFAOYSA-N 441.871 2.527 0 40 IFAB CCCN1C(=O)[C@@]2(CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c2ccccc21 95476701 KGVMCFJKFHWNSB-QFIPXVFZSA-N 428.456 2.881 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)c1nc(N2CCCC2)nc(N2CCCC2)n1 95947959 GRCUKPBGTBSCEX-UHFFFAOYSA-N 445.955 2.809 0 40 IFAB C[C@@H]1CN([C@@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 95983142 YZVVCKDWANFVSW-APWZRJJASA-N 439.959 2.612 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@]4(Br)[C@H](C2)N(C)CC[C@@]314 96316406 DOUIIQXGCWGWBD-KHDMTIDOSA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 214691682 PXJAGXJKZCEEGL-CRRKTRLDSA-N 434.514 2.768 0 40 IFAB N[C@@]1(C(=O)O)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218242180 HWWKMWIHOCUIIC-YCPHGPKFSA-N 430.707 2.824 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220457753 YLBRLPUTDUUXBM-ZIAGYGMSSA-N 442.484 2.712 0 40 IFAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCCCOC)cc1)S(=O)(=O)CC 222398477 ROYDZYQPQHNSHA-UHFFFAOYSA-N 447.557 2.881 0 40 IFAB CN(c1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1)S(C)(=O)=O 222415500 HFIIIDRLWQRRCQ-UHFFFAOYSA-N 438.509 2.660 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495955 DEVNTIBTQDBQKT-HNNXBMFYSA-N 439.921 2.631 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)ccc1OC 222901847 QXVYKHXAUHPPAY-NSHDSACASA-N 439.331 2.957 0 40 IFAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 223024455 DIOZLVRVHKMCDS-QGZVFWFLSA-N 433.549 2.545 0 40 IFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 223779737 LOYKIMNLFSIAMB-HNNXBMFYSA-N 448.541 2.988 0 40 IFAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 223786259 RPUKMDUHKUANOH-UHFFFAOYSA-N 437.537 2.757 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3cc(C)cc(C)c3)CC2)cc1 224113280 YYYQTHZJXILHFB-UHFFFAOYSA-N 446.569 2.908 0 40 IFAB O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252346942 KQJNAGFUOFNHFR-ONJIFJTESA-N 427.504 2.809 0 40 IFAB biogenic Cc1c(CCC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cnn1C 257233077 GNQYPMWGDIRSSJ-JOCHJYFZSA-N 432.952 2.878 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 260910161 XAFILMFNSWWJPT-ROUUACIJSA-N 432.542 2.680 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)c(OC)c1 408672351 YYWKPJMJUJKQCO-INIZCTEOSA-N 426.469 2.855 0 40 IFAB COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604406314 HEZKRMDSPADQAJ-SFHVURJKSA-N 441.484 2.540 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)C2CCCCC2)cc1OC 780669 BHBAQHYCPNNHBG-UHFFFAOYSA-N 447.557 2.739 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2)cc1 871757 OIMNDIQUOJUMOQ-UHFFFAOYSA-N 425.510 2.598 0 40 IFAB COc1ccc(CN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1OC 2232525 AVGCHVXIXLJDLL-MRXNPFEDSA-N 431.489 2.799 0 40 IFAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1 2384704 HCMLILRISPBUGJ-UHFFFAOYSA-N 441.513 2.948 0 40 IFAB O=C(CSc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3477816 MAHZJJBWHZPPNJ-UHFFFAOYSA-N 430.511 2.891 0 40 IFAB CON(C)c1nc(OCCNC(=O)OCc2ccc(Cl)cc2Cl)nc(N(C)C)n1 4411635 QJNSFSLVQIZXCY-UHFFFAOYSA-N 445.307 2.547 0 40 IFAB COC(=O)/C(C)=C\C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@@H](CC(OC)OC)[C@@H](C)[C@@H](O)[C@H]1C 5181276 IUPRBAQOWNNLEG-WSYRYSSUSA-N 428.566 2.705 0 40 IFAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)N[C@H]1CCS(=O)(=O)C1 8709138 GKIHHKKQLCOTHL-MFKMUULPSA-N 444.376 2.623 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 9190982 IYLJQZGXUWORLW-QGZVFWFLSA-N 447.532 2.544 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C 9315401 ASUOZCPJCZVLSU-UHFFFAOYSA-N 440.481 2.929 0 40 IFAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2ccc(=O)[nH]c2)c1OC 9315610 OCABMHOUTACJQY-UHFFFAOYSA-N 447.444 2.584 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OCC 9442401 NTQJUXOHSPVSMJ-UHFFFAOYSA-N 444.484 2.787 0 40 IFAB Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 9860694 JHMUMASOYFUPKC-PMACEKPBSA-N 443.594 2.956 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 9961805 AWUGASRXTURFDY-UHFFFAOYSA-N 444.962 2.779 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 11481206 NVOBWJAAUOWJOT-UHFFFAOYSA-N 440.477 2.600 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(OC(F)F)cc3)cc2)CC1 11950811 NIIQACHXSXVONX-UHFFFAOYSA-N 432.471 2.798 0 40 IFAB Cc1ccccc1CC(=O)N1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 12187120 VVZZCSXVZXMYAV-UHFFFAOYSA-N 425.916 2.955 0 40 IFAB CC(=O)N[C@@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1cccc2ccccc12 12776350 QPPZFMUEXZZDBD-HFRKGGPVSA-N 435.476 2.923 0 40 IFAB CSc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036832 HDMZZKCIYCPJQB-UHFFFAOYSA-N 431.525 2.895 0 40 IFAB Cc1c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cccc1-n1cnnn1 14076008 UETZWKTVDLDKLO-UHFFFAOYSA-N 435.513 2.650 0 40 IFAB O=C(COC(=O)CCC1=NC(=O)[C@@H]2C3=C(CCC3)S[C@H]2N1)NCc1ccc(Cl)cc1 14136198 SIOMVONNCLDFPR-PZJWPPBQSA-N 447.944 2.935 0 40 IFAB NC(=O)[C@H](Cc1ccccc1)N1CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@H]2CC1=O 15673823 DPJXEUMACJQPNM-FKBYEOEOSA-N 425.573 2.750 0 40 IFAB biogenic,in-vitro CCOc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)c2csnn2)cc1 15935366 DUMJNDHTJPBHTG-UHFFFAOYSA-N 440.481 2.629 0 40 IFAB CCOC(=O)C1=C(CSc2nnc(C(F)(F)F)n2C)NC(=O)N[C@@H]1c1cccs1 16044407 ZPWWJFPUSIURTA-LLVKDONJSA-N 447.464 2.859 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccc(OC)cc2)c2sc3nc(CC)nn3c2O)CC1 16690241 MXZDHJLNGRWYBU-QGZVFWFLSA-N 445.545 2.931 0 40 IFAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(=O)n1C 19131664 MBAIBUBDOKHAFE-HXUWFJFHSA-N 432.528 2.979 0 40 IFAB Cc1nc(C)n(CC(=O)N2CCO[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)n1 19693373 GVVPXDZEYBYQHA-KRWDZBQOSA-N 446.433 2.971 0 40 IFAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccnc2N(C)C)C1 19702451 GQPWTSABHUKTFG-INIZCTEOSA-N 439.585 2.811 0 40 IFAB NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 19868451 ZCORBMAQGMURPD-UHFFFAOYSA-N 435.933 2.619 0 40 IFAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 20610725 CQCPNMABNNJHRU-QPXQOZNCSA-N 427.570 2.883 0 40 IFAB biogenic O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccnn1Cc1ccc(Cl)cc1 21601290 RQQDWKUTKVDLJY-QHCPKHFHSA-N 449.898 2.917 0 40 IFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1OC 21633083 KBYYMVTVMOVUHD-MDZDMXLPSA-N 446.481 2.729 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 22271695 YHGWTDFVTJQKSR-QFIPXVFZSA-N 448.585 2.906 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)Cn3cnc4sc5c(c4c3=O)CCC5)ccc21 22985517 ZNCKNVDUTDACNX-UHFFFAOYSA-N 443.550 2.542 0 40 IFAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCN(C(=O)N2CCCCC2)CC1 25171727 MUMWXGRACIIGAK-UHFFFAOYSA-N 432.528 2.843 0 40 IFAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 26308608 ORBGPBULIQTAMI-GOSISDBHSA-N 445.449 2.610 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1ccc(CN2CCc3ccccc32)cc1 31819999 WYSKDSWBLMZQJN-SZPZYZBQSA-N 429.520 2.817 0 40 IFAB CN(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1Cl 32855980 XOUQIRBNSHDJFG-KRWDZBQOSA-N 430.979 2.862 0 40 IFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCc1cnn(-c2ccccc2)c1 32901579 ZHMUBEXSESNLJU-UHFFFAOYSA-N 440.525 2.893 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1OC 32966587 VCRYAAQPPPNCGG-UHFFFAOYSA-N 433.892 2.574 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](C)CN3CCCCC3)CC2)cc1C 40157526 DJPXCWZIFMPQSB-SFHVURJKSA-N 435.634 2.942 0 40 IFAB CCOc1cccc(-c2noc(Cn3c(=O)n(CCCOC)c(=O)c4ccccc43)n2)c1 44167445 CRMRXYPTXLXFPH-UHFFFAOYSA-N 436.468 2.697 0 40 IFAB Cc1cc(Cl)ccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 44791492 VNIHJJLKLBAKJU-UHFFFAOYSA-N 435.977 2.759 0 40 IFAB COCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccsc2c1=O 57425859 LHOSHMUXHUHCLP-UHFFFAOYSA-N 432.527 2.794 0 40 IFAB CCS(=O)(=O)NCCCNC(=O)c1csc(-c2cc(Br)cs2)n1 62580466 PJYDZMGZLXLRNM-UHFFFAOYSA-N 438.394 2.693 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccccc1Cl 67287311 LURVSZISXTYPFL-LIRRHRJNSA-N 449.935 2.786 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Br)ccc1N 69815039 FXANWQNXFPXWJX-NSHDSACASA-N 432.274 2.952 0 40 IFAB CO[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)s1 96104821 ZFODNLYXBGTHMM-KRWDZBQOSA-N 444.600 2.653 0 40 IFAB O=C(c1nc(-c2cn(CC3CC3)cn2)n2ccccc12)N1CCN(c2ccncc2)CC1 96266937 DQFDGQGFZSOTJM-UHFFFAOYSA-N 427.512 2.965 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 105546738 JWNYPAGYDVUNPH-HLLBOEOZSA-N 431.562 2.557 0 40 IFAB O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@@H](O)C1 118399849 NYNZQNWKBKUAII-RDTXWAMCSA-N 428.443 2.948 0 40 IFAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1C 222837397 JDJMNAQUFODPOV-UHFFFAOYSA-N 446.481 2.635 0 40 IFAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 223161558 JZYGJOSWKBKJFB-LJQANCHMSA-N 448.541 2.888 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCOc2cccc3ccccc23)cc1 223541044 QOPRXWSAYJIHSI-UHFFFAOYSA-N 427.526 2.891 0 40 IFAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224263594 LJFRZVOJUOAELP-NRFANRHFSA-N 434.558 2.852 0 40 IFAB COC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Br)c1 224880735 HECJVISSIDOVAT-UHFFFAOYSA-N 432.267 2.965 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)C(C)(C)O)nn2c(C)c1CCC(=O)NC1CCCC1 257279727 OHXPXNJQDXSQIJ-HXUWFJFHSA-N 441.576 2.772 0 40 IFAB CCc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)no1 257298597 RMKARZDCJFIWKH-LSQMVHIFSA-N 441.572 2.665 0 40 IFAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4c(C)cc(C)nc4=O)C3)o2)cc1 257325616 WTSHKTSLMBXOAM-IBGZPJMESA-N 436.512 2.854 0 40 IFAB COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 1177259562 OTPVJUSTJCDXDB-KZULUSFZSA-N 435.546 2.926 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)s2)cc1 1775968660 JNTZJAIUDGIPDK-HNNXBMFYSA-N 446.506 2.673 0 40 IFAB Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1 1889125016 PDEXLUWPAPVFOQ-UHFFFAOYSA-N 426.418 2.501 0 40 IFAB O=C(Nc1ccc(N2CCN(CCO)CC2)c(Cl)c1)c1cc2ccccc2oc1=O 2037849976 ABTJGJIVWPMLTO-UHFFFAOYSA-N 427.888 2.813 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCc3ccco3)cc2c1 883314 MDYOAQSXSRDVNT-UHFFFAOYSA-N 440.569 2.638 0 40 IFAB Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2Cc2ccc(Cl)cc2)n(C)c1=O 8775049 UJPXIPLKUHBAGE-UHFFFAOYSA-N 435.915 2.698 0 40 IFAB COc1cccc(CN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c1 8828643 YRFDCOBPPQJTCO-UHFFFAOYSA-N 442.516 2.798 0 40 IFAB Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 8898392 QAVKTSMWIPODSW-UHFFFAOYSA-N 433.584 2.847 0 40 IFAB Cc1ccc(C2=NN(C(=O)COC(=O)CN3CCSC3=O)[C@H](c3ccco3)C2)cc1 8937983 DFIYHBSYVKNAFR-KRWDZBQOSA-N 427.482 2.978 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1 9198868 FQNDKDGHYPPWOP-FQEVSTJZSA-N 442.516 2.863 0 40 IFAB O=C([C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1)N1CCOCC1 9238528 ACZXBTYKWZKKES-ROUUACIJSA-N 425.489 2.702 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)cc1 9262005 NICZUBHVXKBFDS-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1ccc(F)cc1 9492149 SVBQXZGSILDUFI-QGZVFWFLSA-N 428.526 2.724 0 40 IFAB COc1ccc(-c2nc(SC3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 9517578 HPHAWZUWCAQDBV-UHFFFAOYSA-N 428.514 2.746 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 9525816 LAXAPXIUHBVJAJ-UHFFFAOYSA-N 432.498 2.608 0 40 IFAB C[C@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 11726691 CTKCQBVXKMIEOW-SWLSCSKDSA-N 435.546 2.796 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12086009 KWHQIRAETNQNAD-BBRCJUOPSA-N 438.572 2.978 0 40 IFAB CCOC(=O)[C@@H]1CCCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)C1 12182731 WDHLYEGPKPNJDG-NZSAHSFTSA-N 446.548 2.662 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1C 12348117 MUBWHEOBXYMLPY-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)n1 12521747 CSTIUPVRHADEDW-UHFFFAOYSA-N 444.557 2.654 0 40 IFAB COc1cc(C(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc(OC)c1OC 12644603 BPSKNEBUBBKMJO-VQIMIIECSA-N 447.576 2.602 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1OC 12871276 HOWUKYZHSZCWMS-UHFFFAOYSA-N 443.525 2.865 0 40 IFAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1 12930095 NHEDCZCYYSNOQV-GOSISDBHSA-N 425.348 2.801 0 40 IFAB O=C(NCCCn1ccnc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 13119445 MWVOVGRUZRZOAL-AWEZNQCLSA-N 445.372 2.797 0 40 IFAB Cc1c(OCC(=O)NCCCN2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 13555879 ZKMWOBLNIFOCRG-UHFFFAOYSA-N 436.508 2.986 0 40 IFAB biogenic COc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 13681311 GYCAPDBQCZPJRQ-LBPRGKRZSA-N 440.905 2.913 0 40 IFAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 16046350 QPJKCESZTHCZNX-DEOSSOPVSA-N 437.496 2.662 0 40 IFAB CCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 16053357 HBKVBTSXBVHPQK-HNNXBMFYSA-N 434.514 2.592 0 40 IFAB O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 16090831 UMIOSMXJFBQPJQ-UHFFFAOYSA-N 448.488 2.542 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19503203 XJTKCAGKIQRFMS-OAQYLSRUSA-N 444.535 2.990 0 40 IFAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C[C@H](C)c2ccccc2)CC1 19552828 DXKOZARTJXTJCW-SFHVURJKSA-N 437.569 2.957 0 40 IFAB COCC(=O)N1CCO[C@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1 19592875 QGDMGNOWQPOAII-DEOSSOPVSA-N 426.488 2.558 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CCCc1ccccc1 19696004 GDNSNXGVOUIBTG-OAQYLSRUSA-N 435.572 2.922 0 40 IFAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)Cc1csc(C)n1)C2 19701049 ZNZUFCQNSHJAOU-UHFFFAOYSA-N 437.525 2.817 0 40 IFAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CCN(C)C2 19708832 ZEEKQCPVVCBCPT-QGZVFWFLSA-N 429.590 2.691 0 40 IFAB Cc1cnc(C(=O)N2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)cn1 19766584 QSHQJKBFZDKAPK-UHFFFAOYSA-N 448.502 2.972 0 40 IFAB O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(Br)o1 19897328 RVWKBWRSLIKFGW-UHFFFAOYSA-N 436.306 2.747 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)NC(=O)c2cc3c(OC)cc(OC)cc3n2C)cc1 20744993 FZPKXZDWACNADS-AWEZNQCLSA-N 425.485 2.639 0 40 IFAB O=C(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)cc1Cl 23653830 AYIXHCPVPYFXRH-UHFFFAOYSA-N 428.272 2.730 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 24876304 JPKIKFWUVKPGMJ-OAQYLSRUSA-N 429.860 2.869 0 40 IFAB CN(CCCC(=O)N1CCN(Cc2ccsc2)CC1)S(=O)(=O)c1cccs1 25397493 XXIXDZKHQNLLIH-UHFFFAOYSA-N 427.617 2.555 0 40 IFAB CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 26011489 SDUGITMYIUHACM-LLVKDONJSA-N 427.885 2.534 0 40 IFAB Cc1cccc(C(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 32958277 ZUPUOBWSICFTLD-YCRPNKLZSA-N 438.480 2.895 0 40 IFAB CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c4ncccc34)CC2)cn1 48310539 QKOJNDPOEUERSV-UHFFFAOYSA-N 427.530 2.799 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(C)c(C)c4)no3)C2=O)cc1 49002796 QXEPDMVRVKQQJS-MOPGFXCFSA-N 432.440 2.855 0 40 IFAB Cc1cc(C(=O)Nc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)s2)no1 70634978 SRTHEMWAAAOLQK-UHFFFAOYSA-N 444.542 2.528 0 40 IFAB O=S1(=O)CC[C@H](c2nnc(C3(c4cccc(Br)c4)CCOCC3)o2)C1 71889887 NEBHHTUHBCDLMI-LBPRGKRZSA-N 427.320 2.831 0 40 IFAB CC(C)c1nccn1CCC(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 72325314 SNJMSTJPDDJTPB-DEOSSOPVSA-N 437.544 2.730 0 40 IFAB COCCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 72371936 TXWZWYHCYGEMQI-GOSISDBHSA-N 440.519 2.798 0 40 IFAB CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn12 96156673 OADBTKCSHSOWQP-JOCHJYFZSA-N 441.539 2.543 0 40 IFAB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 101075965 HOZLIFOBQUNCMT-KLHDSHLOSA-N 430.302 2.778 0 40 IFAB CCOC(=O)C1=NN(c2cccc(OC)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101091084 XISGXSRXQRUGSZ-HKUYNNGSSA-N 441.871 2.954 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H](c3ccc(Br)cc3)C(C(=O)[C@H]3CO3)=N2)cc1 102674773 ZIMLEDCHIJAGIL-IAGOWNOFSA-N 449.326 2.870 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(=O)N1CCCCC1 223783174 NUGKLQYKQLRHJA-UHFFFAOYSA-N 445.541 2.824 0 40 IFAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224777864 BBLGOXMLCCHDPS-IBGZPJMESA-N 432.542 2.733 0 40 IFAB O=C(c1cc(Br)cs1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759617 XUEMBCNLYXQGFR-UHFFFAOYSA-N 434.315 2.991 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257208153 BKYWLISPJLDDPT-SFHVURJKSA-N 447.495 2.936 0 40 IFAB CCc1ncc(CN2CCO[C@@H](c3cc(CCOc4ccccc4OC)n(C)n3)C2)cn1 257331226 XRXJBVIUECCBBS-HSZRJFAPSA-N 437.544 2.976 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOCc1ccccc1)O2 260853363 XIVCPNXVFBXCOY-OAQYLSRUSA-N 446.569 2.844 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 306133103 MBYOJTOIWNKMCZ-IRXDYDNUSA-N 447.495 2.572 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)c(C)c1 390831557 SMVHZBIOSZGUMR-HXUWFJFHSA-N 436.555 2.504 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408598102 ZVBMDYDUOJNOLJ-AQDCRGGLSA-N 427.570 2.519 0 40 IFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408657298 JJBPTBIMRDIXGJ-KMNYTQEUSA-N 430.888 2.653 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709870 YMVQIYCGFHZZTJ-UHFFFAOYSA-N 430.464 2.988 0 40 IFAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3nc(N4C(=O)CCC4=O)sc3c2)C1 408973817 BYMOZINJIAPOIO-HNNXBMFYSA-N 442.541 2.670 0 40 IFAB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OCC 409135449 QYOGOCMJISGHJD-NTUHNPAUSA-N 443.861 2.802 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1O 409201138 VUPSSQBEPQZWKA-GIJQJNRQSA-N 442.449 2.847 0 40 IFAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 409209507 CAYBXQYSBCIGDX-ATVHPVEESA-N 432.498 2.677 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 409216813 OPKVQZMRMRNILH-UHFFFAOYSA-N 439.541 2.839 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618270 UOZJABIWCLAYEC-LPHOPBHVSA-N 434.471 2.752 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1OC 585147309 RQKNCZYVGSDJLZ-OAHLLOKOSA-N 436.306 2.869 0 40 IFAB Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CC[S@@](=O)C[C@H](C)C3)c2)cc1 1220715433 WWZKTUNZYQPZIO-VPTFNQTCSA-N 427.570 2.835 0 40 IFAB Cc1cc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)ccn1 1775971941 ZLEXPZLSRBTYQZ-KRWDZBQOSA-N 443.525 2.523 0 40 IFAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)S(=O)(=O)c1ccc(Cl)cc1 2643364 ZPZKEAWTTATPGR-UHFFFAOYSA-N 441.962 2.638 0 40 IFAB CC[C@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 8724633 PWWDVAATYKOJJK-WMLDXEAASA-N 425.551 2.918 0 40 IFAB O=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8747952 XGLQNXSWLWHGFO-JOCHJYFZSA-N 445.610 2.590 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccc3c(c1)OCO3)CC2 8764755 PLIQNQNTFANDOK-UHFFFAOYSA-N 427.457 2.529 0 40 IFAB biogenic CCc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)s1 8916816 HPJRRGQCSNJVOY-UHFFFAOYSA-N 441.897 2.909 0 40 IFAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1C 8927522 AIVVVFYTYVBZBV-QGZVFWFLSA-N 428.872 2.876 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3cc(C(C)(C)C)no3)CC2)cc1 9645801 KZSUNFQZUYDPEE-UHFFFAOYSA-N 434.562 2.616 0 40 IFAB CCn1c(CCC(N)=O)nnc1SCc1nc2scc(-c3ccco3)c2c(=O)[nH]1 9683428 CFVYLMSERQABAA-UHFFFAOYSA-N 430.515 2.566 0 40 IFAB C[C@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc2c(c1)OCO2 9875378 UWOQVQSIPSUNQO-AWEZNQCLSA-N 449.554 2.564 0 40 IFAB CCCc1cnc2c(c1SCC(=O)NCc1ccccc1Cl)c(=O)n(C)c(=O)n2C 10216893 QVYCXSURZNLLIS-UHFFFAOYSA-N 446.960 2.647 0 40 IFAB Cc1ccc(-c2nnc3n(Cc4cccc(Cl)c4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10969208 HSDZCGLFFGMPRE-UHFFFAOYSA-N 434.887 2.759 0 40 IFAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 12412333 IAYMMRZDTONQQU-QGZVFWFLSA-N 449.536 2.899 0 40 IFAB COc1ccc(F)cc1COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12506718 UBUPVZLVXWNESR-UHFFFAOYSA-N 449.504 2.647 0 40 IFAB CNc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12521702 QQOCDMLGUJTXQU-OAHLLOKOSA-N 431.514 2.697 0 40 IFAB Cc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(C)c1 12605554 NKSNZHWLNKAASA-UHFFFAOYSA-N 425.576 2.729 0 40 IFAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CC(=O)Nc2ccccc21 12746773 PYBRLWFOCIUAQR-OAHLLOKOSA-N 430.464 2.892 0 40 IFAB C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O 12774221 RXHQPZPXTWONPI-IINYFYTJSA-N 445.526 2.607 0 40 IFAB COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)on1 12814418 BZUCTIRARBPZRB-UHFFFAOYSA-N 431.489 2.996 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4nccc4C)cc3)CC2)c(C)c1 13010168 RVVCGXXSCYUFQZ-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)CC1 13649452 PZKIGJGETLCIHI-UHFFFAOYSA-N 444.553 2.986 0 40 IFAB COc1ccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1S(=O)(=O)N(C)C 18198570 VKZYTALNFAGGCB-UHFFFAOYSA-N 434.543 2.861 0 40 IFAB COc1cccc(OC)c1C(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693747 ICSUNONGDKLQHP-HNNXBMFYSA-N 436.516 2.590 0 40 IFAB Cc1nc(C2CCN(CC(=O)N3CCC3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 19739344 ZJSBYRCAASUNQP-UHFFFAOYSA-N 447.583 2.719 0 40 IFAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)Cn3cccn3)CC2)cc1 19757272 DGFCHTPZAFRBIG-UHFFFAOYSA-N 448.527 2.724 0 40 IFAB Cc1nc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 19764029 YEYKVRKZMYQJBN-GOSISDBHSA-N 428.508 2.655 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1OC 20005640 BPJHMBHBOSEQFP-LJQANCHMSA-N 434.558 2.756 0 40 IFAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl 20745495 SMVYNXZDFSMRFB-OAHLLOKOSA-N 434.323 2.888 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)CC1 22236926 BWJWLGHVIMLRID-UHFFFAOYSA-N 425.407 2.955 0 40 IFAB CN(CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)S(=O)(=O)c1ccc(F)cc1 27998924 LILVCSJJJDDTRC-UHFFFAOYSA-N 430.505 2.729 0 40 IFAB CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 31675603 LEBUFDGLQWFJNM-UHFFFAOYSA-N 426.589 2.831 0 40 IFAB NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2nc3ccccc3s2)c2ccccc21 32104335 ONBCQUSNPBYMNY-JOCHJYFZSA-N 444.476 2.592 0 40 IFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)O[C@H](C(=O)N1CCOCC1)c1ccccc1 32777604 ZJYZOUZYDDTQEK-NRFANRHFSA-N 439.443 2.952 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CCSc2nncn2-c2ccccc2F)cc1 32871123 QMXNCAJSPFIAPV-UHFFFAOYSA-N 449.533 2.778 0 40 IFAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 40150820 IDGNNTNLGAXEFS-QGZVFWFLSA-N 427.954 3.000 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1C(=O)N1CCOCC1 44904822 IWNJLZIUQMQALZ-HXUWFJFHSA-N 430.526 2.524 0 40 IFAB NC(=O)c1cccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1 58005064 KCIHZORRCUSPOU-UHFFFAOYSA-N 429.523 2.597 0 40 IFAB COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1nn(-c2ccccc2)cc1OC 58146462 MPZNLFUXJCPMGR-UHFFFAOYSA-N 439.468 2.714 0 40 IFAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CCN1 65500771 WBNWVUHYFDJTFT-FQEVSTJZSA-N 438.505 2.957 0 40 IFAB Cc1cc(C)n(CC(=O)NCCc2cccs2)c(=O)c1S(=O)(=O)c1ccccc1 67255304 FYNVQCCJTBBELN-UHFFFAOYSA-N 430.551 2.718 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCNc1ncc(Cl)cc1Cl 72281687 HDNBOBVTIKHMAV-YDHLFZDLSA-N 432.377 2.642 0 40 IFAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCCC3)CC1)NC2=O 72327498 DVJJXTPIDLUVOG-GYCJOSAFSA-N 443.544 2.754 0 40 IFAB COc1ccc([C@@H](CNC(=O)CCC(=O)N[C@H](C)c2ccccc2)N2CCOCC2)cc1 89905553 NHDAVPBWXWQGCW-AUSIDOKSSA-N 439.556 2.842 0 40 IFAB CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 97379374 YSYCZKXMHKCAJO-OLZOCXBDSA-N 442.891 2.532 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc(C4CCN(Cc5ccncc5)CC4)nn3c(O)c2C1 100232624 YWIYTKSMIBHOPP-UHFFFAOYSA-N 434.544 2.750 0 40 IFAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 219990376 YAFPAEMBYXUFNW-UHFFFAOYSA-N 446.569 2.857 0 40 IFAB CCOc1ccccc1N(CCCC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O 222612511 JQLQTUWQBSUCRV-UHFFFAOYSA-N 434.514 2.677 0 40 IFAB Cc1sc2ncc(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)c(=O)n2c1C 223037257 IAKGKDLHIDZWON-UHFFFAOYSA-N 426.527 2.680 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2cccc3ccccc23)Oc2ccccc21 223549525 GVQJKIVXCNQZHZ-NRFANRHFSA-N 426.494 2.562 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)cc1 223569294 FHHZBUZFJPHCDF-UHFFFAOYSA-N 428.554 2.786 0 40 IFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1cccc3cccnc13)CC2 257251032 JPCPLEWUKZDLJS-KRWDZBQOSA-N 430.512 2.601 0 40 IFAB CN1C(=O)COc2ccccc2C/C=C/C[C@@H]2[C@H]1CCCN2C(=O)c1ccc2[nH]nnc2c1 257267250 MGNVLYCDGWANAW-JAEHEIJGSA-N 445.523 2.971 0 40 IFAB Cc1cccnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257339945 ZDWKJUUNRLWISQ-FXSPECFOSA-N 437.584 2.818 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 260737246 LPBQBHBYGDSGEM-LJQANCHMSA-N 445.585 2.557 0 40 IFAB CN([C@H](C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1)S(C)(=O)=O 260759560 BQIIPDJZYTYCMM-KRWDZBQOSA-N 434.905 2.639 0 40 IFAB CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3cc(C)ccc3Br)C2)O1 306124257 BKSDBFAZXMCGRK-YLJYHZDGSA-N 440.382 2.827 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 408589336 HAVJUIGPSBCASP-UHFFFAOYSA-N 432.498 2.916 0 40 IFAB CSc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408613119 ZWVDKAFPYLWZRK-OAHLLOKOSA-N 436.555 2.835 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC 408701583 AGPCNSVUJLGTLL-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1 409313009 ANCMVZRPJSSXGF-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 409334262 WMBBZEPTCUBGSM-UHFFFAOYSA-N 439.497 2.514 0 40 IFAB Cn1ncc2cc(C(=O)Nc3cccc(NC(=O)c4cnc5c(cnn5C)c4)c3)cnc21 554608845 BPROKPITHQPDCJ-UHFFFAOYSA-N 426.440 2.755 0 40 IFAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2cccc(OCCn3ccnc3)c2)C1 585274663 LWAAJWZGEUWJCB-DEOSSOPVSA-N 441.503 2.744 0 40 IFAB Cc1cc2c(cc1S(=O)(=O)NC(=O)C1CCC(F)(F)CC1)O[C@@H](C(C)C)C(=O)N2 585281948 VBFWCEBLXCLKDC-INIZCTEOSA-N 430.473 2.981 0 40 IFAB O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 795421 YYBWDBNHQVNJJY-MOPGFXCFSA-N 435.576 2.638 0 40 IFAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)cc1 932293 FBNQSPUDNCUUQD-UHFFFAOYSA-N 442.501 2.759 0 40 IFAB COc1cccc(CNC(=O)CC[C@@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)c1 8764611 JDNMPDGJGMTDKK-NRFANRHFSA-N 434.496 2.940 0 40 IFAB biogenic COc1ccc2c(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)coc2c1 8774599 VKNVOGBMAVWVOZ-UHFFFAOYSA-N 430.482 2.644 0 40 IFAB C[C@@H](NC(=O)COC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 8880211 YTHYFTDKKPBLBT-GFCCVEGCSA-N 437.265 2.739 0 40 IFAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 9431768 NOYBJTCBGDJJFE-UHFFFAOYSA-N 442.950 2.515 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1 9526190 JPBUGYQZBSERSK-UHFFFAOYSA-N 425.533 2.986 0 40 IFAB CCCCn1c(=O)n(Cc2coc(-c3cccs3)n2)c(=O)c2c1ncn2CCOC 9635080 KEVVDTNHGDWMLN-UHFFFAOYSA-N 429.502 2.571 0 40 IFAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 10634643 ZIQMIXHILBIIAU-CQSZACIVSA-N 429.498 2.531 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3OC)[nH]c2=O)cc1 12348336 RNHGRDCYMBVBOS-UHFFFAOYSA-N 426.498 2.812 0 40 IFAB COc1ccc2[nH]cc(CCNS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)c2c1 12428013 ZFDDOFJPERMQNX-UHFFFAOYSA-N 435.889 2.796 0 40 IFAB CCOc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1S(=O)(=O)N(C)C 12690149 XJHMARGFJPNASH-UHFFFAOYSA-N 426.878 2.970 0 40 IFAB COc1cc([C@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccco2)ccc1OC(F)F 12982023 ZVVLVAPDIQHAKQ-IRXDYDNUSA-N 446.410 2.814 0 40 IFAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2cnc(C)cn2)cc1 13097090 LEKWVDRVUUHQQQ-UHFFFAOYSA-N 448.479 2.562 0 40 IFAB COc1ccc(Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCC(C(N)=O)CC2)cc1 13504973 BJJIVBRKVPAPJN-FQEVSTJZSA-N 440.935 2.670 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(F)ccc2OC)cc1 13581228 OHKYYOXENCRYAJ-UHFFFAOYSA-N 438.477 2.660 0 40 IFAB CC(=O)Oc1ccc2c(C)c(CC(=O)NCc3ccc(F)cc3)c(=O)oc2c1OC(C)=O 13609838 QZXUPMSEWHMYKW-UHFFFAOYSA-N 441.411 2.950 0 40 IFAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 14170561 UXDUVNYLMLPJKH-INIZCTEOSA-N 447.561 2.998 0 40 IFAB Cc1nc(CSCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cs1 14245308 HJRNNVRBVNFXHM-SFHVURJKSA-N 439.006 2.709 0 40 IFAB Cc1ccnn1CCC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 19238408 OVFOVOGJKIOPLP-UHFFFAOYSA-N 446.555 2.909 0 40 IFAB O=C(C1CC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19333332 PODPZFJDNWZYQB-HXUWFJFHSA-N 438.503 2.500 0 40 IFAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 19497293 AWGVHXXLUBKROU-IYBDPMFKSA-N 428.508 2.747 0 40 IFAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 19555648 KGQFEEYUUZMBLD-SFHVURJKSA-N 445.523 2.774 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)Cc1ccc(F)cc1)C2 19710690 QIJUWYOBINBPLV-UHFFFAOYSA-N 425.508 2.511 0 40 IFAB CN(C)C(=O)c1cn(C)nc1CC1CCN(CC(=O)Nc2ccc3ncccc3c2)CC1 19756628 DXOZRAARBOYTSR-UHFFFAOYSA-N 434.544 2.563 0 40 IFAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCOCC1 20547014 AMBWPOIYABDKHE-CQSZACIVSA-N 434.920 2.541 0 40 IFAB Cc1cc2nc(COC(=O)c3ccccc3NC(=O)COc3ccccc3)cc(=O)n2o1 21633656 JSVUDIYJTAIXCA-UHFFFAOYSA-N 433.420 2.970 0 40 IFAB CCN1CCN(c2nc3ncn(CC(=O)Nc4c(C)cc(C)cc4C)c(=O)c3s2)CC1 21886456 HXFHKLQCQMYFQK-UHFFFAOYSA-N 440.573 2.559 0 40 IFAB Cn1c(=O)c2ccccc2n2c(COc3ccc(I)cc3)nnc12 22043111 ATNZEIQDWRLSPQ-UHFFFAOYSA-N 432.221 2.765 0 40 IFAB CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1C 23038990 DVRCNAZIWWDTBB-NRFANRHFSA-N 445.497 2.648 0 40 IFAB C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 26858577 HXXBHOIBWDASBD-INIZCTEOSA-N 435.480 2.574 0 40 IFAB Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1S(N)(=O)=O 26902559 UXIALKBMQXLKIY-UHFFFAOYSA-N 437.930 2.879 0 40 IFAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)n1 27545119 DMCXTYCOTNIITC-QGZVFWFLSA-N 425.533 2.829 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccn2)c1 27682027 XQRWWXPVCJQMAK-UHFFFAOYSA-N 426.336 2.805 0 40 IFAB O=C(Cc1cc(Cl)cc2c1OCOC2)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 30256486 RNLDOMZPQLZKIG-INIZCTEOSA-N 425.890 2.558 0 40 IFAB Cc1cc(OCC(=O)N2CCC[C@H]2C(N)=O)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 32124051 FIXHNPBIYFUHJP-IBGZPJMESA-N 434.492 2.856 0 40 IFAB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 35597650 RHHYRJHFTUGPTL-UHFFFAOYSA-N 430.486 2.600 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1 36597337 VADTYELJKXAGLQ-IRLDBZIGSA-N 434.496 2.860 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 36628807 NBQILLSWQBGJQS-QVKFZJNVSA-N 447.557 2.950 0 40 IFAB Cc1cccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c1C 44857320 KMRLMCSESJCKES-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB CCOC(=O)c1cn(Cc2ccc(F)cc2)nc1S(=O)(=O)N1CCc2ccccc2C1 49402262 GRCCPDHWIDTNEC-UHFFFAOYSA-N 443.500 2.994 0 40 IFAB CCCCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952428 HNLABOMRRPYWLX-UHFFFAOYSA-N 444.967 2.589 0 40 IFAB Cc1oc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 57997428 QCVPBEGRGUBFLK-KRWDZBQOSA-N 447.513 2.742 0 40 IFAB COc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(C(C)=O)cc4)CC3)nc2N)cc1 71772268 LHLBDEWPRYNRPH-UHFFFAOYSA-N 446.511 2.849 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 71869413 SCQHXFMYQSJRBI-CQSZACIVSA-N 427.530 2.697 0 40 IFAB CCOc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 72309761 XYQULCLABSYXLU-IRXDYDNUSA-N 429.521 2.582 0 40 IFAB Cc1nc2ccc(C(=O)N(C)Cc3nc([C@H]4CC(=O)N(C)C4)cc(N(C)C)n3)cc2s1 72352039 GKAWFFPVINWGKG-HNNXBMFYSA-N 438.557 2.679 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)Cn1cccnc1=O 72370408 QFWSPDQXQNFJNZ-MRXNPFEDSA-N 438.553 2.784 0 40 IFAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 89573852 QSSFXWZATCRVHB-CQSZACIVSA-N 425.913 2.813 0 40 IFAB COC(=O)[C@@H](CN1C(=O)c2ccccc2C1=O)N(C)Cc1ccc(SC)c(OC)c1 95447661 FXSVYXXUEBXQKV-QGZVFWFLSA-N 428.510 2.687 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 96098695 LGGFKJIYSVJWII-UHFFFAOYSA-N 436.438 2.686 0 40 IFAB COc1ccc(CCNC(=O)c2sc(=S)n(CCCN3CCOCC3)c2N)cc1 96346616 IIUOSSAFYBRWGI-UHFFFAOYSA-N 436.603 2.565 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 105879266 VRULPJNKWFMJKE-DVOMOZLQSA-N 425.323 2.663 0 40 IFAB CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 211805485 CNUJKNMOGSRQMN-HUUCEWRRSA-N 443.541 2.650 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222416185 MUVNCQXJWIVZNZ-IBGZPJMESA-N 445.585 2.541 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224257929 LWTKIIXSAOPISC-HBMCJLEFSA-N 439.556 2.580 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCCC[C@H]3C)CC1)O2 248339241 SKIPPXCMXRCLKX-QZTZHPFYSA-N 427.545 2.658 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 408550219 BOYQNLXRQFSVRJ-FUHWJXTLSA-N 432.542 2.982 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 408584477 QGHQXSIBVABTAR-OAHLLOKOSA-N 434.514 2.958 0 40 IFAB COc1cc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 408618744 FMOJOKRHQAGWLT-UHFFFAOYSA-N 426.922 2.800 0 40 IFAB NC(=O)C1(O)CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)CC1 1556370382 QVWLWYLIZBXHLZ-UHFFFAOYSA-N 427.451 2.885 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 2693769 DBIBABURPDLQRO-RTBURBONSA-N 445.566 2.717 0 40 IFAB CCCNC(=O)COC(=O)c1cc(Cl)c(N2C(=O)c3ccccc3C2=O)cc1OC 3285894 VJXFKFNTNFDCNR-UHFFFAOYSA-N 430.844 2.832 0 40 IFAB CCOc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1OCC 3441784 XCDNLVSJLHZGAU-UHFFFAOYSA-N 444.440 2.760 0 40 IFAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 4438467 OMORGHJUJKKBER-ZDUSSCGKSA-N 432.527 2.739 0 40 IFAB COc1ccc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1S(=O)(=O)NC1CC1 8708474 ZVAMBEJIIHFQLL-UHFFFAOYSA-N 429.542 2.984 0 40 IFAB COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc1 8910513 DFOGNMRCNXVZIE-UHFFFAOYSA-N 427.482 2.635 0 40 IFAB O=C(Nc1ccccc1)C1CCN(C(=O)CCn2nc(-c3cccs3)oc2=O)CC1 9789101 GHOZZNVXXUTDGS-UHFFFAOYSA-N 426.498 2.832 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc23)C1=O 9865456 MMMRLJRIRWJJRE-FQEVSTJZSA-N 441.538 2.758 0 40 IFAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)NC1CCCC1 11243576 IAGIIZPOWRMOIK-CQSZACIVSA-N 442.965 2.731 0 40 IFAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 11904080 GNWPDDVDTZWTMU-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB O=S1(=O)N[C@H](C2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)Nc2ccccc21 12089490 ZAIOXHMKVQBRKN-JOCHJYFZSA-N 441.532 2.954 0 40 IFAB O=C(CCCS(=O)(=O)c1ccccc1)N1CCC(O)(Cn2ccc3ccncc32)CC1 12253907 UDYHUYUKIDALTM-UHFFFAOYSA-N 441.553 2.644 0 40 IFAB COc1cccc(N2CCN(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1 12537128 VJVPMKPKESZTPK-UHFFFAOYSA-N 437.521 2.706 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 12760977 POOIONRPVWIUHF-UHFFFAOYSA-N 441.553 2.936 0 40 IFAB COc1ccc(Br)cc1CN(C)C(=O)CNS(=O)(=O)Cc1ccccc1 12987465 YCVQTBSXXXSKJE-UHFFFAOYSA-N 441.347 2.536 0 40 IFAB COc1ccc(CN(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 13058810 KCDWYYMDRXBTRX-UHFFFAOYSA-N 431.558 2.940 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1 13098986 BPFFMJVLBFZWAO-CQSZACIVSA-N 430.555 2.762 0 40 IFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 13117949 DICNFRUSYKAQSX-UHFFFAOYSA-N 448.504 2.856 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2CN2CCCC2)C1=O 14249705 DZZLPKAADXQUOX-RUZDIDTESA-N 434.540 2.756 0 40 IFAB CC(C)(C)C(=O)Nc1ccc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 14852824 CFABNMJAVQMLEE-UHFFFAOYSA-N 445.541 2.500 0 40 IFAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)=O)CC3)cc1 19018928 TVGDYXRJVCWYGI-NRFANRHFSA-N 438.528 2.782 0 40 IFAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C[C@@H](C)n3nc(C)nc3C)C2)C1 19285651 ABKOXXYSAORASP-WAIKUNEKSA-N 425.533 2.648 0 40 IFAB Cc1ccc(CC(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cc1C 19762448 WJNRFWPDHWTIMJ-XMMPIXPASA-N 447.535 2.716 0 40 IFAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 20483109 JQBRIWJIXSXZRB-SFHVURJKSA-N 448.541 2.821 0 40 IFAB CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)OCC)CC3)C2=O)cc1 20798974 RBIKYVHKKVUQHQ-LJQANCHMSA-N 430.501 2.551 0 40 IFAB Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 22062159 HYMMPAJYOGBRRF-UHFFFAOYSA-N 438.481 2.991 0 40 IFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 22525530 KPVXOJCKDJSQRO-KRWDZBQOSA-N 432.542 2.919 0 40 IFAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 24760793 XLHGEUTXDSFDFO-HNNXBMFYSA-N 444.498 2.835 0 40 IFAB O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)C(F)(F)F)[C@](O)(c2ccc(F)cc2)N1 27754457 HBVOHZHYHIVVHP-IIDMSEBBSA-N 426.322 2.501 0 40 IFAB C[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)n1cc(Br)cn1 28304470 SESDWEYCMMZXSK-MRVPVSSYSA-N 429.321 2.859 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(C(=O)N2CCCC2)c1 30479881 BFNSNCJJDVIJDP-UHFFFAOYSA-N 447.582 2.950 0 40 IFAB CCN1CCN2CCCN(Cn3nc(-c4ccc(Cl)cc4)n(CC)c3=S)[C@H]2C1=O 36390378 JJJZDZUTWNRUOI-SFHVURJKSA-N 434.997 2.908 0 40 IFAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 37503515 WEFOLVTZWYTPIB-YVEFUNNKSA-N 448.324 2.643 0 40 IFAB COc1ccc(OC)c2c1CN(CN1C(=O)[C@H](C)N(c3ccc(C)cc3)C1=O)C[C@H]2O 40091161 ZZOBLQWYPSUENP-MAUKXSAKSA-N 425.485 2.676 0 40 IFAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 40141938 CWJGLTGMWRTKMF-GOSISDBHSA-N 439.647 2.962 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)o1 40154137 VXDQMARQJDZYLW-UHFFFAOYSA-N 435.527 2.573 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c1 44857287 XFCYRBAOGQKSKW-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB O=C1CCc2cc(C(=O)COC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)ccc2N1 69923934 CDNOYJGXNOSCNY-SFHVURJKSA-N 438.455 2.989 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 72390528 GNMFEGDNQUIIPM-OAHLLOKOSA-N 446.554 2.655 0 40 IFAB COc1cccc(-c2nc3c(s2)CN(CC(=O)N2CCN(c4ccccn4)CC2)CC3)c1 72392021 MKFCMULZFZDBOM-UHFFFAOYSA-N 449.580 2.921 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 77101168 ZXLVXSLPSNWRME-UHFFFAOYSA-N 442.463 2.596 0 40 IFAB CCN1C(=O)[C@]2(CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c2cc(C)ccc21 95473505 BESAEMGQNQDWOW-JOCHJYFZSA-N 428.456 2.800 0 40 IFAB CCc1ccc(NC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@@]32CCN(C)C2=O)cc1 96144305 PECZJFVMWNTPKP-XMMPIXPASA-N 441.576 2.709 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)C1 100180235 WZKRWHFOROLCRA-XUFOECMQSA-N 426.513 2.743 0 40 IFAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)N1CCc2ccccc21 113480168 RRIHNRJBZZPTHP-NVXWUHKLSA-N 425.579 2.875 0 40 IFAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(N)=O)CC2)cc1 113956412 VGBLJLLQXUJYAN-UHFFFAOYSA-N 433.555 2.547 0 40 IFAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 135979051 BJUDTNWKMRPVDS-WJMWBRGCSA-N 436.556 2.503 0 40 IFAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(OC)cc1 139109541 QEJGZXVOGCBZPE-GDBMZVCRSA-N 425.489 2.612 0 40 IFAB COC1CCN(c2ccc(NS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)cc2)CC1 206872752 ZMAHUHYHXLTSAE-UHFFFAOYSA-N 441.553 2.938 0 40 IFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CCN(c2cccc(C)c2C)CC1 223051069 MPWASJTZDXQDJL-UHFFFAOYSA-N 445.585 2.590 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(OC)cc(OC)c1 223447704 HYVNWDVDBPWBQE-NRFANRHFSA-N 430.501 2.645 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224237949 CLDRSSZCEODYOW-NRFANRHFSA-N 445.585 2.705 0 40 IFAB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 224963154 ROYLXVNZYIPHKP-UHFFFAOYSA-N 441.889 2.878 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225686100 VXNOMDUGLKEANM-NSHDSACASA-N 439.563 2.852 0 40 IFAB CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260842885 YJWRFOLAYPPXRU-MRXNPFEDSA-N 448.541 2.890 0 40 IFAB COc1ccc(CCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 408677313 BOXXFARIJLYLID-UHFFFAOYSA-N 434.558 2.917 0 40 IFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 408693072 FRAMTEQSPSPKAR-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB CN(c1ccc(C(=O)Nc2ccc(I)cc2)cc1)S(C)(=O)=O 409139189 BBIUPCIDVIOIJG-UHFFFAOYSA-N 430.267 2.939 0 40 IFAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)cc1 537369966 FFOHWSQNYBUWIV-FQEVSTJZSA-N 440.475 2.940 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1=O 643556391 KCVFHZXIZPMUIN-VWLOTQADSA-N 444.572 2.665 0 40 IFAB COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)O)c1OC 1531508 DEXMFYZAHXMZNM-UHFFFAOYSA-N 445.468 2.669 0 40 IFAB endogenous,in-man O=C(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3)N1CCCCC1 2447641 FCDYPCQZORQMSF-UHFFFAOYSA-N 427.559 2.873 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1C 2634405 CAZNEIZGBNRMJF-UHFFFAOYSA-N 435.498 2.707 0 40 IFAB COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 2661861 OUXDUGDEMFTXRR-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)COc3cccc(F)c3)CC2)c1C 3557032 UUZGMZDTSFEAIS-UHFFFAOYSA-N 434.533 2.971 0 40 IFAB CCc1ccc(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 3566846 XBDXTNLRMYEABM-YRNVUSSQSA-N 430.526 2.930 0 40 IFAB O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1)NCc1ccco1 4400554 ISEBZMQXWJPKOH-UHFFFAOYSA-N 430.461 2.944 0 40 IFAB CCOC(=O)c1c(NC(=O)CN(CC)CC(=O)NC(C)(C)C)sc(C(C)=O)c1C 7684020 SJYBAVUFLAHHRP-UHFFFAOYSA-N 425.551 2.611 0 40 IFAB Cn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3Cc2c(F)cccc2Cl)n(C)c1=O 8724522 ODEMBMUGGAWDDC-UHFFFAOYSA-N 432.887 2.649 0 40 IFAB Cc1c(C)n2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 8724572 PLGLVFCVDHUYES-MRXNPFEDSA-N 435.528 2.991 0 40 IFAB CCOc1ccc(OCCNC(=O)CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)cc1 8727986 SGIGDSNNDSIRCW-HSZRJFAPSA-N 443.475 2.577 0 40 IFAB O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)N1CCNC1=O 8965875 KUYKUUVZXCLLIS-UHFFFAOYSA-N 447.904 2.796 0 40 IFAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCc1ccccc1 9448794 DHJHDWGJUIOZEX-FCORRRHLSA-N 437.565 2.899 0 40 IFAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1cccc(Br)c1 9749039 QVDJBFDWJJWYCS-UHFFFAOYSA-N 430.262 2.695 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccccc1F 9883471 RHDZGTKZRRUEGU-JTQLQIEISA-N 449.287 2.981 0 40 IFAB CCCCNC(=O)CSC(Nc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973886 LDVBNQCFYVPNEQ-UHFFFAOYSA-N 438.937 2.663 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2)C[C@H](C)O1 11085927 CXLJJRZYIWRXOT-ROUUACIJSA-N 432.542 2.683 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccc(-n3nc(C)cc3C)nn1)CC2 11141247 IHCJSJUOVUXGLC-UHFFFAOYSA-N 439.541 2.973 0 40 IFAB O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 12374742 UMBGTEFOORZPQF-UHFFFAOYSA-N 435.267 2.968 0 40 IFAB COc1ccc(C)cc1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12602334 WVYSFFSERPWVNU-UHFFFAOYSA-N 430.530 2.712 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCc2cccnc2)c1 12663927 ROCUKGOFOOZAJG-KRWDZBQOSA-N 432.509 2.639 0 40 IFAB Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 12751311 HUEQPWNVNWVUIM-SFHVURJKSA-N 432.567 2.983 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)c1c(C)[nH]c2ccccc12 12795099 CFGFBOJRCBCWJM-KRWDZBQOSA-N 428.558 2.964 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)c(C)c1 12912122 WYMLQZKWXPZPFY-UHFFFAOYSA-N 444.553 2.792 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 12941878 QLKKGIJORADTNE-NXOAAHMSSA-N 432.517 2.778 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1 13097169 JTZWXXTYLPFTEZ-UHFFFAOYSA-N 444.582 2.505 0 40 IFAB CC[C@H](c1nnnn1Cc1ccco1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13496001 IMVJFZBYGJDZNJ-OAQYLSRUSA-N 436.516 2.800 0 40 IFAB COC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3c(c21)COC(C)(C)C3 13592606 QGVCWWPAXJQZJW-UHFFFAOYSA-N 434.901 2.892 0 40 IFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 14171353 HQCBMQJCWVRIGK-INIZCTEOSA-N 425.485 2.910 0 40 IFAB O=C1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)NC(N2CCN(c3ccccc3)CC2)=N1 14607013 ZEFLVRDVNAJMAC-SFHVURJKSA-N 445.445 2.711 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1 16954912 HPOCHIBPZYYAMP-HNNXBMFYSA-N 448.526 2.989 0 40 IFAB Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 19234500 PEZAJXVMPSXLTA-WZONZLPQSA-N 444.597 2.723 0 40 IFAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19739865 ZFKCSWSCZLNARB-NRFANRHFSA-N 444.539 2.936 0 40 IFAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1 19756852 ADGJQDQZXNAZEF-UHFFFAOYSA-N 436.560 2.718 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)NCc1ccccc1 19765856 VHDIWUSJUVFHGO-OAQYLSRUSA-N 435.572 2.763 0 40 IFAB CCN1CCN([C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19940754 GFYPHTJRUVJHPT-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)c1ccccc1 20416433 LAIJIOBKQFTRHK-UHFFFAOYSA-N 434.518 2.895 0 40 IFAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)nnc2n1 20799372 CZWBXULOJKBMPO-CYBMUJFWSA-N 432.303 2.928 0 40 IFAB CN1CCc2nc(NC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)sc2C1 23609425 AHRFKUQJDVFSFF-UHFFFAOYSA-N 429.571 2.810 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1 24081666 WLKMRJUKYPGSOV-UHFFFAOYSA-N 427.570 2.819 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 25754948 ODTWTDNXTIEPQK-JOCHJYFZSA-N 447.023 2.928 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664401 MFKHXFHMYVBDGS-FCEWJHQRSA-N 440.374 2.513 0 40 IFAB CS(=O)(=O)Nc1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 32781109 WKQVWRBYSLVFAI-UHFFFAOYSA-N 442.463 2.824 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1 32873634 KBSUDTYADCPMAA-UHFFFAOYSA-N 427.320 2.934 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1cccc(F)c1 34866193 NCXBIUCXFTURTE-UHFFFAOYSA-N 445.438 2.790 0 40 IFAB COc1cc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)cc(OC)c1OC 35330651 KRZOQXQLPIRKLY-NHTOTWMQSA-N 427.507 2.956 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N(C)Cc1ccsc1 39990658 PEYYYNQPTCKPEY-QFIPXVFZSA-N 437.569 2.682 0 40 IFAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCc1ccc(F)c(Cl)c1 67317076 MLKXNGRPQORWSZ-UHFFFAOYSA-N 435.912 2.952 0 40 IFAB COc1ccc(CN2CC[C@H](NC(=O)/C=C/c3ccc(N4CCCC4=O)cc3)C2=O)cc1 78813769 MWHPWCXDHBRSQX-SYZXBLONSA-N 433.508 2.753 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 89665780 ACAXOXGFJXQKKD-UHFFFAOYSA-N 428.510 2.617 0 40 IFAB NC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 89787639 CVJYDLCZCAYBNP-UHFFFAOYSA-N 446.345 2.708 0 40 IFAB in-vitro C[C@H]1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCN1C[C@@H](C)O 89939154 KMMNOWGASBKASI-UONOGXRCSA-N 448.917 2.884 0 40 IFAB COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(COc2cccc(Br)c2)o1 95977879 DHJBTIVBXKUDSK-INIZCTEOSA-N 448.273 2.858 0 40 IFAB CC(C)Cn1cnc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O 96115777 KDMMBZGTNRGJPP-FQEVSTJZSA-N 447.495 2.522 0 40 IFAB biogenic Cc1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1Cl 102396630 QZUZMKDCPQFRDE-RYUDHWBXSA-N 427.284 2.959 0 40 IFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 102798697 XVFQESNBXYQSTJ-ZRGHIBABSA-N 428.488 2.934 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1OC 216338647 SSXJDLJXVVFOAE-QGZVFWFLSA-N 449.573 2.811 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 219260158 CUUPKXXAMKDKSE-OAHLLOKOSA-N 432.527 2.515 0 40 IFAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 225262525 YIJKLISGDYKSME-RTBURBONSA-N 432.542 2.804 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)c(C)c1 226076440 PWRHHMHHZDCEDV-UHFFFAOYSA-N 443.569 2.679 0 40 IFAB O=C(CCn1cnc2ccccc21)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 244986284 JNZWKOHVSFQPHH-UHFFFAOYSA-N 434.485 2.613 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccc(F)cc3)c2)C1 257289226 PXQGRJRSMQJIRO-KRWDZBQOSA-N 444.536 2.819 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccc(CC)cc2)S(C)(=O)=O)cc1 260790627 IPNKFNRCCBYKQI-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 408597995 YPHAHYSJOCPHSN-LLVKDONJSA-N 428.894 2.671 0 40 IFAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 408614735 GYRSLZYMSNDHTJ-OAQYLSRUSA-N 449.551 2.920 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408722655 BJQLQGWXIOVKMQ-GTVARFKMSA-N 439.924 2.847 0 40 IFAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 408963923 QAEABDLGDBBKIE-YVLHZVERSA-N 425.466 2.534 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1 604404933 JMLOHJSGZYOFKZ-QHCPKHFHSA-N 440.459 2.800 0 40 IFAB biogenic CN1CCCCN(C(=O)CN2CCCCCC2=O)CCOc2ccc(Cl)cc2C1=O 2037888057 UVQWCNXEIYLWGV-UHFFFAOYSA-N 435.952 2.816 0 40 IFAB CC(C)CC(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4cccc(Cl)c4)c3[nH]2)C1 1325258 KPTZXTMJLHUETA-HNNXBMFYSA-N 428.924 2.968 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 2616353 JQXYRKSZZZENKK-FQEVSTJZSA-N 448.292 2.714 0 40 IFAB CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(CC)cc1 6149693 VDOJZPSFZSVCDQ-INIZCTEOSA-N 446.573 2.708 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1-c1noc(C)n1 8587191 VLQQHBSOQXDNSY-UHFFFAOYSA-N 444.513 2.573 0 40 IFAB CN(C)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 8666006 USPFNKMCFRVLLH-UHFFFAOYSA-N 437.569 2.565 0 40 IFAB Cc1nn(C(=O)c2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 8768893 FIJOBNOOBFNALB-UHFFFAOYSA-N 439.493 2.664 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)Cc2ccccc2)cc1 9316272 BQIPVQGOVHYDFN-ROUUACIJSA-N 444.553 2.716 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1Br 9492638 DDXATIQVXWOAPA-UHFFFAOYSA-N 433.349 2.809 0 40 IFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC[C@@H]2COc3ccccc3O2)c2ccccc21 9518847 BBKKZJUGRXHKAO-QGZVFWFLSA-N 449.507 2.649 0 40 IFAB C[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9545416 SVNKUDAMZJRCHP-SECBINFHSA-N 431.301 2.790 0 40 IFAB CCn1c(CC(=O)Nc2nccs2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 9583097 PMDBYRKAKHOBQP-SNVBAGLBSA-N 437.576 2.820 0 40 IFAB NC(=O)CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1 9670346 KEJOOCSIZUNPGQ-UHFFFAOYSA-N 449.532 2.960 0 40 IFAB CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733555 GTCSMDTXACEDHS-UHFFFAOYSA-N 441.550 2.640 0 40 IFAB CCCCCn1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)OC)c2ccccc2c1=O 9781765 LPFWAJWVDQXUIM-HXUWFJFHSA-N 437.496 2.806 0 40 IFAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)CC1 9820034 FUGASEWIYXTVBK-UHFFFAOYSA-N 444.459 2.862 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(CC)s3)n2)cc1 9844805 OBVRPJTXZGFUOT-UHFFFAOYSA-N 433.555 2.911 0 40 IFAB NS(=O)(=O)c1cc(C(=O)OCc2cc3c(cc2Br)OCO3)ccc1Cl 9869616 RDMDETBTDBOYNL-UHFFFAOYSA-N 448.678 2.836 0 40 IFAB O=C(NC1CCC(O)CC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 9986702 JHNKDIUVGZFMSY-UHFFFAOYSA-N 435.373 2.814 0 40 IFAB O=C(Nc1ccc(F)cc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 12709890 CYQVRBZBYVGFQF-UHFFFAOYSA-N 427.432 2.855 0 40 IFAB O=C(NCc1cccc(NC(=O)C2CC2)c1)NC[C@H](c1cccs1)N1CCOCC1 12757555 MHXYZWLHBRAVFJ-LJQANCHMSA-N 428.558 2.969 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(-c2ccsc2)no1 12884167 MWKIJNIRLAEYRQ-UHFFFAOYSA-N 439.497 2.642 0 40 IFAB CN(C)CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 13671016 NWHCQSIAYRLUJJ-UHFFFAOYSA-N 429.464 2.579 0 40 IFAB Cn1ncc2c(N3CCN(C(=O)COc4ccc5oc6c(c5c4)CCCC6)CC3)ncnc21 14731139 GFKWQMNSDILBNU-UHFFFAOYSA-N 446.511 2.716 0 40 IFAB CCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 18082122 YSKZLMXMHFEAQU-UHFFFAOYSA-N 436.505 2.526 0 40 IFAB COCCC(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 19081214 WCLNXOLTHUAQAL-KRWDZBQOSA-N 432.565 2.677 0 40 IFAB O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)c1cccnc1 19838964 YRKFHDSNRRFTNO-UHFFFAOYSA-N 432.553 2.919 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 21110003 AMNJYTJWLTXVCJ-AWEZNQCLSA-N 440.452 2.584 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2cccs2)c1 21873121 CDZWOCBFKHTUMS-MRXNPFEDSA-N 444.534 2.796 0 40 IFAB COc1cc(COC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1OC(F)F 23020066 RDNDCTQDHOZGFY-UHFFFAOYSA-N 445.440 2.913 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c4c(c3)OCO4)CC2)s1 23041025 YHNPQORVOAGKEH-UHFFFAOYSA-N 428.919 2.585 0 40 IFAB CSCc1ccc(S(=O)(=O)Oc2ccc(C(=O)Cn3c(C)nn(C)c3=N)cc2)cc1 23865310 URGBDVRIAKVXIR-UHFFFAOYSA-N 446.554 2.523 0 40 IFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 24228081 XNWYZHARVORPLP-UHFFFAOYSA-N 446.960 2.912 0 40 IFAB COc1ccccc1NC(=S)N[C@@H](NC(=O)N1CCOCC1)C(Cl)(Cl)Cl 28293931 CANVSCHOJOFINX-LBPRGKRZSA-N 441.768 2.720 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(-c3ccccc3)no2)cc1 32865401 NGRPVDGJEIMSBK-AWEZNQCLSA-N 443.481 2.710 0 40 IFAB COCCN1CCn2c(nc3cc(N[C@@H]4OC(=O)c5c4ccc(OC)c5OC)ccc32)C1 36370002 IOXLDYNITFYDHD-JOCHJYFZSA-N 438.484 2.797 0 40 IFAB biogenic O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 36397947 STDRRONKXVDPJR-VQTJNVASSA-N 441.528 2.843 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1cccnc1 36569661 LQWZQZUEIUZBRK-JOCHJYFZSA-N 432.499 2.911 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 40120048 YRQOHYOZADKXLU-HZPDHXFCSA-N 426.435 2.856 0 40 IFAB CCCCN(C(=O)CN(Cc1ccc(C)o1)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 40151460 ODVUNLPHVKAKSQ-UHFFFAOYSA-N 447.580 2.720 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855719 YRPHXOSBTONLEG-JXFKEZNVSA-N 446.525 2.641 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1cccs1 57415938 FKGRFKQHLVGHOO-NRFANRHFSA-N 440.569 2.968 0 40 IFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3sc(C)nc3C)nc(N(C)C)c2C1 72372326 FKPBLNBRWKQFLW-GOSISDBHSA-N 442.589 2.888 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 79105484 AUVVUMQGCRUKOC-NRFANRHFSA-N 441.594 2.599 0 40 IFAB COc1cccc(N2C[C@H](C(=O)N3CCC(CSc4nccn4C)CC3)CC2=O)c1 90608192 SXCJKHBNXMQMGL-QGZVFWFLSA-N 428.558 2.813 0 40 IFAB O=C(N[C@@H]1CCCC[C@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 95443385 FGVWWODJKOEKSN-RBBKRZOGSA-N 430.570 2.908 0 40 IFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95938934 FLJARLFRPUHVQQ-CVEARBPZSA-N 439.578 2.716 0 40 IFAB COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(N3CCC(O)CC3)c2C1 104028509 IHDYEWINIYBTJC-UHFFFAOYSA-N 436.556 2.971 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cn([C@H](C)C(=O)O)c4ccccc34)C2=O)o1 108981746 ROQBZNCEOXZIAX-DZZSIBQASA-N 437.408 2.759 0 40 IFAB Cc1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 216490789 ASWLVCCMRRRTGC-UHFFFAOYSA-N 432.527 2.836 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219436037 RYIHOMKLQLWDRS-OAHLLOKOSA-N 443.525 2.778 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccccc1F)S(C)(=O)=O 220592346 MRMWITPQPGJSNI-GOSISDBHSA-N 437.512 2.858 0 40 IFAB COc1ccccc1N(CCCC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 222579783 YJQKVXFRKIUAHB-UHFFFAOYSA-N 445.585 2.586 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 223689771 HQNTVFIZVMYQDY-UHFFFAOYSA-N 428.507 2.810 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 223993780 JDPKTAWQJJYPKN-UHFFFAOYSA-N 426.485 2.879 0 40 IFAB CCN(Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(OC)cc1 224464922 SJIWLEDTRWQBNH-FQEVSTJZSA-N 432.542 2.815 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc2ccccc12 225245157 BHRVSWINUGADLH-QGZVFWFLSA-N 426.494 2.562 0 40 IFAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(COC)cc4)CCO3)n2)cn1 257256649 KMJFJDIPVNGCJH-QHCPKHFHSA-N 446.507 2.863 0 40 IFAB CCOc1ccc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1CO 257337498 YTAKEFLCTOMHRK-SFHVURJKSA-N 436.560 2.824 0 40 IFAB Cc1c(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)nnn1-c1ccc(F)cc1 257339674 ZCSGAVVBKSPZJO-ICSRJNTNSA-N 428.439 2.898 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CC[C@]3(COCC[C@H]3NC(=O)Cc3ccccc3)C2)cc1 306125809 DCXQTGHTANGMGT-ISKFKSNPSA-N 442.581 2.665 0 40 IFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390829411 DZNSNAQZYXDXMY-VBKZILBWSA-N 435.473 2.710 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 408638827 TTWPYKBKXGWOPS-YOEHRIQHSA-N 425.437 2.649 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)N(C)C1=S 409218064 YJYMGOKYAAMQSO-BOPFTXTBSA-N 426.494 2.847 0 40 IFAB CCN1CCN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 409257573 TWAQDUKUARCAMB-UHFFFAOYSA-N 445.585 2.671 0 40 IFAB O=C(NCCn1cccc1)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 524733624 WWCGBHVYFOWNAL-KRWDZBQOSA-N 432.933 2.795 0 40 IFAB Cc1cc(=O)c(O)c(C2(CC(=O)NC3CCN(Cc4ccccc4)CC3)CCOCC2)o1 1547139706 YGSGIIMKISHMOK-UHFFFAOYSA-N 440.540 2.873 0 40 IFAB biogenic Cc1nn([C@H](C)C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)cc1Br 2774973 VHGUDGNDTHDOAX-SECBINFHSA-N 436.335 2.854 0 40 IFAB CSc1ncc(Cl)c(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)n1 8612045 JRWDRIQHHIXBIH-CQSZACIVSA-N 425.963 2.990 0 40 IFAB Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 9124540 GZSAMHXFBQXITH-UHFFFAOYSA-N 436.343 2.775 0 40 IFAB Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)c(=O)n(-c2ccccc2)n1C 9349389 LNVWTDLHWQPNHU-OAHLLOKOSA-N 449.540 2.794 0 40 IFAB COc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)N2CCCC2)cc1 9493825 JDAHAPKVRGGYQN-QFIPXVFZSA-N 445.585 2.577 0 40 IFAB Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 9518796 VNURONBSNHHYJL-UHFFFAOYSA-N 435.553 2.564 0 40 IFAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)n1 9660350 SZEJMMOJVLNEBG-BQYQJAHWSA-N 439.472 2.504 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1 9761591 ZUDRCLKCZFWOHB-UHFFFAOYSA-N 432.429 2.624 0 40 IFAB COC(=O)C1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1 10220905 OHLLFWGAWHRDQG-UHFFFAOYSA-N 448.932 2.623 0 40 IFAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 10883551 ULFWCBZXECFNHU-INIZCTEOSA-N 447.538 2.790 0 40 IFAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1O 10981666 ZPFGGNRUKMMRIO-LBPRGKRZSA-N 440.905 2.788 0 40 IFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)c4c(F)cccc4F)nn23)c1 11693900 FBSMMRDVYDZZMS-UHFFFAOYSA-N 425.395 2.887 0 40 IFAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccccc2Br)n1 11915250 PQNRLQCGXKANOU-UHFFFAOYSA-N 435.097 2.657 0 40 IFAB COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCCO)c3ccc(OC)cc3)n2)cc1 12176641 JLOLZLMBFLBQFM-GOSISDBHSA-N 428.514 2.821 0 40 IFAB CC(C)(C)c1cc2nc3c(c(O)n2n1)CN(Cc1ccnc(N2CCSCC2)n1)CC3 12219930 WNYLGODDKZIZCN-UHFFFAOYSA-N 439.589 2.634 0 40 IFAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCC 12867355 XYPQLIKJEKXSPL-CQSZACIVSA-N 427.544 2.927 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(CCNC(C)=O)cc2)C1=O 13117712 ROSWTVBHHQEJOE-HSZRJFAPSA-N 425.460 2.544 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C[C@H](C)O1 13147644 ACFQZPGSKMZZEV-GJZGRUSLSA-N 432.498 2.508 0 40 IFAB CCOC(=O)[C@](NC(=O)Nc1ccc(C(=O)OC)cc1)(OCC(F)(F)F)C(F)(F)F 13774134 AUEUAKDECYPVBD-HNNXBMFYSA-N 446.300 2.995 0 40 IFAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 15088954 PABNKRHLUXSCJP-MRXNPFEDSA-N 440.562 2.722 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)C1 16237790 GZZUSPOSMBLEJU-MRXNPFEDSA-N 441.619 2.997 0 40 IFAB COc1ccc(OCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 19556733 AUOPZSNBWSNAKW-UHFFFAOYSA-N 426.498 2.687 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)Cc1ccc(F)cc1)C2 19696369 YSYVOIHPQOSJCF-NRFANRHFSA-N 438.478 2.726 0 40 IFAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 19702247 QAJWZSREDDKGEC-CYBMUJFWSA-N 426.498 2.514 0 40 IFAB COc1cccc(CCNC(=O)CC2CCN(C(=O)c3cnn4cc(C)cnc34)CC2)c1 19748422 MXECYGYXULMQLM-UHFFFAOYSA-N 435.528 2.648 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F 20731328 ALCVYUZHQVXZOY-FUHWJXTLSA-N 436.509 2.509 0 40 IFAB Cc1ccccc1CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 22818459 AFKXSASWHKJTJF-UHFFFAOYSA-N 428.964 2.863 0 40 IFAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 23223030 HUUCZBYUQIUSCO-CQSZACIVSA-N 446.554 2.549 0 40 IFAB CC1=C[C@@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 30880466 FPIYXGBYGUQEKD-ZJOUEHCJSA-N 448.535 2.904 0 40 IFAB biogenic,in-vitro O=C(CN1C(=O)COc2ccccc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 32769017 XMQYITCPASGYQH-UHFFFAOYSA-N 434.418 2.565 0 40 IFAB C[C@H](NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)c1cc2ccccc2o1 39983777 JNHVUDDTVNNTMX-UONOGXRCSA-N 448.472 2.659 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 40052218 CNARWEJYXLWHCE-PMACEKPBSA-N 441.528 2.633 0 40 IFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC(=O)c3ccc(F)c(F)c3)cc(C(C)C)nc21 40072547 HEZVSSXFGNLGHA-UHFFFAOYSA-N 445.422 2.936 0 40 IFAB O=C(C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCN(c2ccccn2)CC1 40926776 AHBSZOHIKPZVBJ-UHFFFAOYSA-N 432.528 2.692 0 40 IFAB CCc1nc(-c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ccccc45)CC3)nc2)no1 44094677 GERJAJTXNGUMAJ-UHFFFAOYSA-N 430.468 2.707 0 40 IFAB CCCCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952425 UFSJPSYPHXQWQE-UHFFFAOYSA-N 444.967 2.589 0 40 IFAB CCCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 57015981 CXQCGFPKMNQWJW-UHFFFAOYSA-N 444.967 2.589 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1ccccc1Cl 57312332 UDEKJDMJOIYCGF-ZDUSSCGKSA-N 425.938 2.888 0 40 IFAB Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3sccc32)no1 57486430 FPRWKWSNJXQFJM-UHFFFAOYSA-N 430.873 2.862 0 40 IFAB O=C(COc1ccc2ccccc2c1Br)N1CCN(C(=O)[C@@H]2CCCO2)CC1 58379124 MXYZFFGFUKIZIJ-SFHVURJKSA-N 447.329 2.831 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCC(C)CC4)ncc3c2=O)cc1Cl 62006731 KNCKUFFADJCKKC-UHFFFAOYSA-N 442.907 2.724 0 40 IFAB CC(C)[C@H](NC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1cccs1 69928926 UEGDCLWMHSOWKG-FQEVSTJZSA-N 429.498 2.576 0 40 IFAB CCOc1ccccc1C(=O)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 71004579 PXKJUUGMGQYDOH-UHFFFAOYSA-N 434.378 2.605 0 40 IFAB C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nnc2ccccn12 95475526 LLKOFNSDXSLSGT-ZDUSSCGKSA-N 433.921 2.804 0 40 IFAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCOc3ccc(C)cc32)c(OC)c1 95995692 MQTRBKOOGYXDFX-UHFFFAOYSA-N 440.543 2.743 0 40 IFAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 96103278 FMRINIVWBHZBLL-LJQANCHMSA-N 427.526 2.714 0 40 IFAB O=C(NCCc1cccnc1)c1ccc2c(c1)[C@@H](c1nc[nH]n1)CN2C(=O)c1ccccc1 96156485 IZKBYJOXNOIMAX-NRFANRHFSA-N 438.491 2.965 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)[C@@H]4C2=O)c1 100442948 HDJFCOMZLLMTGQ-BYPPRKSQSA-N 438.524 2.580 0 40 IFAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 100859685 QCSKPXRMZDKDEA-WBVHZDCISA-N 429.226 2.513 0 40 IFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 102422938 RMFISHJSQJVLNJ-IRXDYDNUSA-N 440.887 2.832 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccnn1Cc1ccc(Br)cc1 102897521 VZFPLWKQYVFYNR-IYBDPMFKSA-N 445.317 2.808 0 40 IFAB CCN1C(=O)[C@@]2(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCCN12 103507536 RMUNWQPYCXCXOC-PIXQIBFHSA-N 443.503 2.735 0 40 IFAB CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 169722884 KXWFIADQSGXDHH-FQEVSTJZSA-N 440.496 2.910 0 40 IFAB O=C1N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 170620740 BODOZRWTHTUGOG-XEZPLFJOSA-N 444.207 2.948 0 40 IFAB COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 222771663 HKPLZTGRBKNAPP-UHFFFAOYSA-N 432.542 2.826 0 40 IFAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1N1CCCC1=O 223864168 UCPNLIVDMPRSLZ-HNNXBMFYSA-N 436.555 2.565 0 40 IFAB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 224730133 XRDCTVQRNGKHCP-UHFFFAOYSA-N 442.287 2.936 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(OC)cc1 224806965 WOUANWDTVCSTFU-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225474325 GAPHRGXNQYWGGK-KRWDZBQOSA-N 432.542 2.680 0 40 IFAB CC(C)c1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)on1 257282340 OTJIAAXYXWSANA-RXVVDRJESA-N 441.528 2.957 0 40 IFAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CN(C(=O)CCOc3cccc(F)c3)CCO2)n1 257303306 SGRCFKHXNDAFKG-NRFANRHFSA-N 437.475 2.937 0 40 IFAB O=C(CN1CCCC1=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643565017 BNEWYKNZPAFMAP-UHFFFAOYSA-N 441.572 2.529 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1cccs1 635039 HAAXBSWVXZCUNO-GTVARFKMSA-N 440.546 2.868 0 40 IFAB O=C(C1CC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1 1359392 UEEXOLIVWUEJJL-UHFFFAOYSA-N 430.530 2.637 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCc4ccccc43)cc2c1 6134143 IZFCAKPOCVZXDS-JOCHJYFZSA-N 446.511 2.712 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(-c4cc(C)on4)c3C)C2=O)cc1 8988561 LPIBNQWDOTWVHY-UHFFFAOYSA-N 436.424 2.577 0 40 IFAB O=C(Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1)N1CCOCC1 9385986 KSKFNNCZBSXKEZ-UHFFFAOYSA-N 449.598 2.776 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 9495186 NHKKPDNSCAAPKX-XDHUDOTRSA-N 437.496 2.696 0 40 IFAB O=S(=O)(NCCOc1ccccc1)c1ccc2oc3cc(-n4cnnn4)ccc3c2c1 9614328 JULXLOONZZVEAP-UHFFFAOYSA-N 435.465 2.919 0 40 IFAB CCc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9743398 KYSPOQANMRAVTK-FQEVSTJZSA-N 443.569 2.937 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1S(=O)(=O)N(C)C 9799716 IGCPIFQMLWAAQL-UHFFFAOYSA-N 433.349 2.809 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCC2=CCCCC2)c1 9807244 XANWLDFVWRIDGE-HXUWFJFHSA-N 447.601 2.579 0 40 IFAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 12229858 BXNQLFLCUHMQLM-UHFFFAOYSA-N 443.573 2.650 0 40 IFAB CC(=O)NCCCCCC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12854612 RCICBMHKJBOUHQ-UHFFFAOYSA-N 433.940 2.731 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1 12867202 GSOGRAPQJPLAMV-KSFYIVLOSA-N 428.510 2.641 0 40 IFAB biogenic CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2cccc(OC)c2OC)C1=O 16045973 YQSYXVBPHXQDFS-HSZRJFAPSA-N 443.475 2.659 0 40 IFAB CN(CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 17826649 SGPIKCLNLYFSTN-UHFFFAOYSA-N 433.549 2.869 0 40 IFAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)Nc1cccc2nsnc12 19106148 KHIMVRQTYLCRJE-UHFFFAOYSA-N 431.524 2.982 0 40 IFAB CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(C(=O)c2ccnn2C)CC1 19530170 ZMHMTBZFRBNZKG-SFHVURJKSA-N 442.491 2.928 0 40 IFAB NC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)c1ccc2c(c1)OCCO2 19696537 BNMFXHCOOBJMCA-XMMPIXPASA-N 433.464 2.816 0 40 IFAB Cc1nc(C2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)nc2c1CCCN2CC1CC1 19705682 RLAKVMKPZGQCEG-SFHVURJKSA-N 441.620 2.622 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccccc1 19744397 CJBXXNHOAPTJGY-SFHVURJKSA-N 428.496 2.684 0 40 IFAB C[C@@H](O)CNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20390156 NJGJEQJSTGBLSY-GFCCVEGCSA-N 429.546 2.720 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)OCCO2 20492955 WILSNDVIBZJIFB-LJQANCHMSA-N 430.526 2.808 0 40 IFAB COc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)S(C)(=O)=O)c1 22332381 QNYUDPYKDRDXRI-IBGZPJMESA-N 448.541 2.888 0 40 IFAB O=C1CCCc2[nH]c(=O)c(C(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)cc21 25829368 AJRAUBLILQACCG-UHFFFAOYSA-N 428.798 2.803 0 40 IFAB Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc(Cc2ccccc2)c1=O 27546457 KJERHEDCOSEKJX-UHFFFAOYSA-N 435.431 2.693 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccccc2Br)c1 28047184 ZKLJEQKSFQIKQR-UHFFFAOYSA-N 447.376 2.614 0 40 IFAB O=C(NCCCN1CCc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 29521242 BKLJMHHBWIZOCL-UHFFFAOYSA-N 427.570 2.656 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCc4ccccc43)CC2)cc1 31253667 JTGYEPWUXWTAQS-UHFFFAOYSA-N 441.597 2.965 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 32863101 BXDSZUQZJPYNIE-MRXNPFEDSA-N 447.557 2.846 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 32868815 OOHMRJKZRWRISS-OAHLLOKOSA-N 425.514 2.507 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@@H](C)[C@H]4[C@]34C=C[C@H]2O4)c1 35485215 SOLPERFSTZHDQZ-ASLITAJVSA-N 448.475 2.728 0 40 IFAB biogenic CC(=O)N1CCN([C@@H](C(=O)O)c2cn(Cc3ccccc3)c3cc(C(=O)O)ccc23)CC1 36359552 RZSGUXZVYIQPQS-JOCHJYFZSA-N 435.480 2.678 0 40 IFAB C[C@@H]1CN(CCCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H](C)O1 40086630 MEBYILFTARBJIG-BZUAXINKSA-N 427.467 2.674 0 40 IFAB COc1cc([C@H](C)NC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC 40111822 AGJZLIDWTXHOFX-AWEZNQCLSA-N 426.469 2.884 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H](C)c4ccc(F)cc4)ncn3n2)cc1 51316949 HMJSPYNDPPCXSO-HNNXBMFYSA-N 435.459 2.973 0 40 IFAB O=C(NCCC(=O)N1CCCc2ccccc21)Nc1cccc(Cn2cccnc2=O)c1 57997441 YQWOCOSIROHMTD-UHFFFAOYSA-N 431.496 2.783 0 40 IFAB COCc1cccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 58970062 MWEROBAGXIMMNZ-FQEVSTJZSA-N 426.513 2.558 0 40 IFAB C[C@H](C(=O)N1CC[C@H](c2ccccc2)C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326835 KDKJTALXJLMTFF-FXABVQRQSA-N 446.551 2.955 0 40 IFAB Cc1ccc(CCC(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)o1 72335902 BAKKKMCFWDNPAE-UHFFFAOYSA-N 446.573 2.721 0 40 IFAB CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)Cc3ccccc3)o2)CC1 72344882 FYSROJVTJKXXOO-LJQANCHMSA-N 446.573 2.895 0 40 IFAB O=C(CCc1ccc2c(c1)OCO2)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395678 JPYOKPMXFBQWRO-JKSUJKDBSA-N 433.459 2.869 0 40 IFAB O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(N2CCCCC2)cc1 79058218 UIZKVRDVCNHYLG-UHFFFAOYSA-N 429.484 2.606 0 40 IFAB COc1cc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 80329561 BFXHJSUVYIVXKW-MRXNPFEDSA-N 442.516 2.571 0 40 IFAB CN(C(=O)Cn1c(=O)c(Br)cn(Cc2ccccc2)c1=O)C1CCCCC1 89334889 VMFVFVQWGFTKAY-UHFFFAOYSA-N 434.334 2.612 0 40 IFAB O=C(OC[C@@H]1CN(Cc2ccccc2)C[C@H]1COC(=O)C1CCOCC1)C1CCOCC1 89834853 YVRXWIBPAUYXMU-GOTSBHOMSA-N 445.556 2.674 0 40 IFAB O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 95429893 FPAIKTQRZDHLKT-OAHLLOKOSA-N 429.402 2.931 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1F 96319797 RCHYYIOWBPJQSH-IAGOWNOFSA-N 433.802 2.859 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 100707250 NLBSLEPPARVKET-IAGOWNOFSA-N 429.889 2.994 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 219260199 CUUPKXXAMKDKSE-HNNXBMFYSA-N 432.527 2.515 0 40 IFAB O=C(NCCCN1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225533889 IQKXLOWPZKVQGX-GOSISDBHSA-N 425.570 2.609 0 40 IFAB O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 257230898 GELJUONDXJMNIQ-FQEVSTJZSA-N 425.464 2.596 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2ccc(Cl)c(Cl)c2)cc1 409004671 PTWIHNPERWFAEP-UHFFFAOYSA-N 431.341 2.601 0 40 IFAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1 538920691 RSWNESWBQXMVGW-KRWDZBQOSA-N 447.582 2.643 0 40 IFAB O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 585139049 CLWOVARCSUXWAH-QZTJIDSGSA-N 433.530 2.687 0 40 IFAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1ccc(O)cc1 604419562 CREGCCFYSPOVDA-QHCPKHFHSA-N 427.460 2.866 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 1255722149 JBIPHUDSCJYRQU-UHFFFAOYSA-N 439.419 2.787 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2COC2)C12CCN(Cc1ccccn1)CC2 1549167611 QHJJYGNFNKJTLX-QHCPKHFHSA-N 448.567 2.579 0 40 IFAB CC(C)S(=O)(=O)N1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)CC1 1565524833 PZJSQZHKDNXLDH-UHFFFAOYSA-N 447.601 2.618 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NC(C)(C)CC)C(C)C)c1 3367152 BSDQFXZUFIBXAD-SFHVURJKSA-N 425.595 2.776 0 40 IFAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3530271 MYQZCEXIMJWOBA-QGZVFWFLSA-N 444.553 2.751 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 3587663 LZHJFIILGFRJFA-UHFFFAOYSA-N 434.514 2.904 0 40 IFAB COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)c(=O)[nH]c2c1 6148951 BJZOKVJGTYDAHH-RXVVDRJESA-N 438.532 2.524 0 40 IFAB C[C@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C1 6530539 OHUKNTWHBODEGI-KRWDZBQOSA-N 431.540 2.867 0 40 IFAB CCN(CC)CCn1c(C)c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 8706152 IPWDDGRLHWHVLL-SDNWHVSQSA-N 448.571 2.821 0 40 IFAB O=C([C@@H]1CN(C(=O)/C=C/c2ccc3ccccc3n2)c2ccccc2O1)N1CCOCC1 8723590 RYMMAWZTOINYRL-RGPPVUSESA-N 429.476 2.901 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 9158632 RCWVGOATKJUUTE-INIZCTEOSA-N 443.500 2.829 0 40 IFAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 9210350 ONLPREFOBPKFBZ-UHFFFAOYSA-N 431.496 2.690 0 40 IFAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 9263282 WGFBTRQWZPGLFB-UHFFFAOYSA-N 439.497 2.513 0 40 IFAB CC(=O)c1ccc(O[C@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 9283485 JJFBARSHZUVUAV-CYBMUJFWSA-N 444.509 2.878 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 9360106 CKQHOCFSFLTMIJ-KEXUJGGDSA-N 437.883 2.780 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1nc(-c2cccs2)oc1=O 9501324 JLJKHVZBZWCKDT-CYBMUJFWSA-N 448.526 2.549 0 40 IFAB O=C([C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1)N1CCCC1 9549519 JSMJUSCPUGLOBE-HXUWFJFHSA-N 447.582 2.558 0 40 IFAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1 9584028 FDXVOSXBDXZUEX-OAQYLSRUSA-N 434.496 2.695 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 9593555 ADNSXKPVHSFQTD-IBGZPJMESA-N 429.480 2.930 0 40 IFAB CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2[C@H]1c1ccccc1F 9716385 ZJCJMNSVYCDIBV-LJQANCHMSA-N 435.455 2.997 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cnn(-c4ccccc4)c3)CC2)cc1 11564294 PTYAVPLZVDNZMA-UHFFFAOYSA-N 438.553 2.898 0 40 IFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)cc1C 11666422 MGBCLUNZRYNCSO-UHFFFAOYSA-N 431.452 2.585 0 40 IFAB COC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696100 LBNLGEMKPNZJED-YOEHRIQHSA-N 442.541 2.531 0 40 IFAB COc1cccc(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 12006085 VLUKKETUBDUNIG-CYBMUJFWSA-N 436.917 2.634 0 40 IFAB biogenic O=C1N[C@@]2(COC3(CCN(C(=O)CN4CCCCCC4)CC3)C2)Nc2ccc(Cl)cc21 12085536 OHZDCDBUFZDXSN-QHCPKHFHSA-N 446.979 2.849 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 12563280 FVOMCIWXZIXYHF-OKILXGFUSA-N 445.379 2.588 0 40 IFAB O=C(CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCCc1c[nH]c2ccccc12 12902995 YEWIUHSCRBTZRO-QFIPXVFZSA-N 430.508 2.996 0 40 IFAB biogenic CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(O)c(C(=O)O)c1 13197722 MGRUXLNJBOJRRV-UHFFFAOYSA-N 433.269 2.656 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(O)nc(-c4cnc(C)cn4)n3)C2)cc1 13227800 VXMCMLDVNGUWIV-HNNXBMFYSA-N 441.513 2.525 0 40 IFAB CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 15333400 HAYUJDHRULTSEC-JOCHJYFZSA-N 427.457 2.508 0 40 IFAB COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)c1 15952796 PZWLHOJVJVWZBZ-KRWDZBQOSA-N 427.478 2.631 0 40 IFAB Cc1cnc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)cn1 19238834 KUTAYMNNCAAOFC-UHFFFAOYSA-N 430.512 2.726 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 19448703 LQRXMYZTBIHZDA-ATIYNZHBSA-N 448.567 2.703 0 40 IFAB C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 19463365 VTXAEANAAHESNQ-YSVLISHTSA-N 426.542 2.740 0 40 IFAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2c(C)cc(C)n(C)c2=O)on1 19572166 DLSADJBQFQIRCY-QGZVFWFLSA-N 436.516 2.799 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 19707439 ZOCNWIBXXWOBAQ-FQEVSTJZSA-N 443.573 2.566 0 40 IFAB O=C(NCc1ccccc1F)c1cncnc1CC1CCN(C(=O)C[C@H]2CCCO2)CC1 19757310 KVNITMXFTYLBOA-LJQANCHMSA-N 440.519 2.896 0 40 IFAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 19931521 YHGMMYARFJYNSN-UHFFFAOYSA-N 436.540 2.800 0 40 IFAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 20110681 FOLXSJHZQDSEQI-UHFFFAOYSA-N 441.347 2.900 0 40 IFAB O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1 20456641 SBUULEUABYMSPB-UHFFFAOYSA-N 431.533 2.714 0 40 IFAB Cc1c(NC(=O)c2cccc(NC(=O)c3cnccn3)c2)c(=O)n(-c2ccccc2)n1C 20815817 QGBJUMJTAHACKD-UHFFFAOYSA-N 428.452 2.779 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)N[C@@H](C)c3ccccc3Cl)CC2)C1 22929500 ACLCBKDMLFZOMZ-OTWHNJEPSA-N 435.012 2.639 0 40 IFAB COc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1S(=O)(=O)N(C)C 23322354 BVQBEVPFZIKKKR-UHFFFAOYSA-N 438.575 2.646 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1)C2=O 23653764 HDPZUJWZXDGGJP-GJGORFQUSA-N 435.908 2.561 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)NC1CCN(Cc2ccccc2)CC1 24590931 XKMCGHMXWPBNAP-UHFFFAOYSA-N 428.583 2.770 0 40 IFAB CC(=O)Nc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 25046919 KJVYCPKINFYDST-UHFFFAOYSA-N 430.530 2.870 0 40 IFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC1CCN(C(=O)c2ccoc2)CC1 31036522 MXEZHBLQXIVRGG-UHFFFAOYSA-N 431.798 2.535 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1OC 34781967 RRDNLFCGXJBAPV-NSHDSACASA-N 447.340 2.994 0 40 IFAB CCOC(=O)CN(CCNP(=O)(OCC)OCC)CP(=O)(OCC)OCC 34876605 UDSIBKMEBNZMAP-UHFFFAOYSA-N 432.391 2.846 0 40 IFAB O=C(CN1CCN(C(=O)CSc2ncnc3sccc23)CC1)Nc1ccc(F)cc1 35392607 IGCFXCFTZBDTFX-UHFFFAOYSA-N 445.545 2.705 0 40 IFAB CCN(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 39986076 HDDOUZVOVSRBJQ-RMKNXTFCSA-N 445.560 2.694 0 40 IFAB C[C@H](SCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 40141936 CWJGLTGMWRTKMF-SFHVURJKSA-N 439.647 2.962 0 40 IFAB Cc1cccc(NC(=O)C2CCN(CN3C(=O)NC4(C3=O)[C@@H](C)CCC[C@@H]4C)CC2)n1 40149138 YYGPCWIFYJFTGJ-HOTGVXAUSA-N 427.549 2.745 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)[nH]c(=O)c21 40388703 BSYQFDZSVVEYNE-QLFBSQMISA-N 439.516 2.634 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(Cl)cc1 40478093 IUAOWYKGDFHPNS-UHFFFAOYSA-N 430.802 2.607 0 40 IFAB COc1cccc(C[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)n2nnnc2C)c1 48276823 RRTGCLFYAYFQOV-OAQYLSRUSA-N 440.573 2.570 0 40 IFAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)c(Cl)c1 51316933 DHUMDHNQFHPMEQ-UHFFFAOYSA-N 429.814 2.806 0 40 IFAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCc2ccccc21 56949791 IYROLFAQGCQRKP-UHFFFAOYSA-N 445.519 2.930 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 57415057 RMWSOUBTYDKUBO-OAQYLSRUSA-N 440.931 2.943 0 40 IFAB COc1cccc(Cn2c(SCC(=O)NC[C@H]3CCCO3)nc3ccsc3c2=O)c1 57426155 WSPHGTRIDLNZLN-MRXNPFEDSA-N 445.566 2.902 0 40 IFAB CN1CCN(C(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)[C@@H](c2ccccc2)C1 72392195 IAJDMOVUFGBKSM-JOCHJYFZSA-N 448.498 2.755 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(c3cccs3)C2=O)cc1OCC 89267954 JIHVOAANVXZDPJ-JOCHJYFZSA-N 445.541 2.671 0 40 IFAB Cc1cccc(NC(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)c1 96156708 KVEJFYYQYQCARI-IBGZPJMESA-N 428.500 2.573 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O 101301827 VRUVRNXLWCQCPS-UHFFFAOYSA-N 429.432 2.809 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1 222620895 WEUWNYXBRLCDBN-UHFFFAOYSA-N 443.569 2.659 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CCOc4ccccc43)cc2)CC1 222753461 TWNZKKWJBPMPKO-UHFFFAOYSA-N 430.526 2.912 0 40 IFAB CCc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 224116663 OQXKLXQWTFMVNY-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225202802 KCKZMMKZPFTNEL-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225507918 GSBZEAIKPVWYHT-FQEVSTJZSA-N 438.553 2.898 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 226082183 YANUVYGIXLULGI-KRWDZBQOSA-N 448.516 2.971 0 40 IFAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)n1 257204858 AWOMABAUDKETEC-QHCPKHFHSA-N 444.539 2.782 0 40 IFAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1 408615014 KTHVQCVNMZVBSZ-SFHVURJKSA-N 439.512 2.518 0 40 IFAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1CN1CCCCC1 618016859 GLSBVAMKMHZUIV-DEOSSOPVSA-N 434.584 2.745 0 40 IFAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(C(=O)NC[C@H](O)CO)ccc21 643576322 WIWYOVBBCAUQQV-QHCPKHFHSA-N 447.620 2.935 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCN(c4ccnc(C)c4)CC[C@H]3C2)c1 2056224024 ANVJNQNXRUEWFH-HDICACEKSA-N 431.558 2.944 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2)cc1OC 802842 FIKQVMCLJNNZIX-UHFFFAOYSA-N 430.482 2.809 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(Br)cc2)c1 1088640 JTUJSAYEAIVACS-UHFFFAOYSA-N 428.260 2.823 0 40 IFAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 8845975 DCNWEKHGDBBPSQ-UHFFFAOYSA-N 443.356 2.930 0 40 IFAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)ccc2c1 8891066 WACLVABZCFWLAA-DEOSSOPVSA-N 447.447 2.983 0 40 IFAB O=C(CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 9050579 XJBDZSPQTFKDCT-UHFFFAOYSA-N 447.532 2.665 0 40 IFAB O=C(CN1C(=O)COc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9222817 UFRYSGXCBXEMHY-UHFFFAOYSA-N 435.402 2.906 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(CC)CC2)cc1 9255069 RRZBPTYKDIPPRF-UHFFFAOYSA-N 441.557 2.971 0 40 IFAB CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)s1 9255541 KFSWEDUFYINUIH-JOCHJYFZSA-N 425.510 2.523 0 40 IFAB COCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)ccc1C)c(=O)n2Cc1ccccc1 9439398 VJYJFRLKVOEALO-UHFFFAOYSA-N 446.507 2.554 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3nc(C)sc3c2)cc1 9441160 NWQWJSRHKJUSFO-UHFFFAOYSA-N 432.527 2.822 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 9615878 PFCIUBMXJMIZBJ-UHFFFAOYSA-N 440.529 2.628 0 40 IFAB COCCn1cc(C(=O)NCCc2cccc(OC)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661613 LHYSFEJAAKAHTN-UHFFFAOYSA-N 446.507 2.766 0 40 IFAB COc1ccc([C@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10297098 DVKICZDRHONFLL-IBGZPJMESA-N 433.428 2.556 0 40 IFAB Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 10518434 TWFZYUINGSCATG-UHFFFAOYSA-N 445.360 2.999 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719740 RKAPSZHRCQMJNR-HNNXBMFYSA-N 437.587 2.835 0 40 IFAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](C1(C)CC1)N3)C2 12143190 WKHWOGSKRPQKKA-HUUCEWRRSA-N 436.438 2.561 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)NC(=O)N[C@@H]1C 12696207 JOJUISVGXPYKPG-CYBMUJFWSA-N 443.456 2.546 0 40 IFAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1S(=O)(=O)N1CCCCC1 12698227 AJWSWANGLFESGE-UHFFFAOYSA-N 441.509 2.648 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 12855484 RVRPFCIZAQLDHU-RNODOKPDSA-N 437.279 2.963 0 40 IFAB Cc1cc(N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)nc2ccccc12 13653785 ACXONHNRGMTJEE-UHFFFAOYSA-N 428.492 2.878 0 40 IFAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)C1=O 13692104 LQXUCEXXGBMTCN-UHFFFAOYSA-N 428.919 2.843 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)N(Cc2cccnc2)c2nc3ccccc3s2)CC1 13705220 HNRRQAITSLHVNO-UHFFFAOYSA-N 430.555 2.896 0 40 IFAB CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc2ccc(F)cc2)cc1 14170526 WSFWBWXTZURHQU-FQEVSTJZSA-N 448.560 2.973 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O 14252292 KSUHBKILNBSIML-IQGLISFBSA-N 448.475 2.818 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc3nc(O)cc(C)n23)sc2c1CCC2 15881753 VZNLOCUAVMPEJR-JTQLQIEISA-N 447.542 2.985 0 40 IFAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 16012725 ZNMFUECAVDMKNF-MSZDEVHKSA-N 441.462 2.993 0 40 IFAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCCCC1 16867337 IHUKNMGXNIFZGQ-INIZCTEOSA-N 440.537 2.561 0 40 IFAB CC(C)N1CCc2c(nc([C@@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2=O)C1 19448433 RYEQZHLLQCVYJY-NRFANRHFSA-N 442.585 2.551 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 19591024 HQKQXKHNEDRXKT-WZONZLPQSA-N 425.554 2.591 0 40 IFAB Cc1nc2ccccn2c1CC(=O)N1CCO[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19693553 HMTRSPVRTFXELL-NRFANRHFSA-N 428.496 2.825 0 40 IFAB CNc1nc(C)c(C(=O)N2CCc3nc(N)c(C(=O)NCc4ccccc4)cc3C2)s1 19701048 MQWASMKSBQWYMF-UHFFFAOYSA-N 436.541 2.599 0 40 IFAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)CN2Cc3ccccc3C2=O)nc1C 19765518 DTPVOFTVUUDZJD-OAQYLSRUSA-N 449.555 2.977 0 40 IFAB COCCCN1CNC2=N[C@@H](c3ccc(OC)cc3OC)n3c(nc4ccccc43)N2C1 19960350 SQWQLPLDEFLRNG-OAQYLSRUSA-N 436.516 2.633 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)C1=NN(c2ccccc2)C(=O)CC1 23651674 UVXLSJDWXGNRDB-UHFFFAOYSA-N 443.301 2.995 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)cc1OC 24844193 OBBURKUEYQHGSH-MRXNPFEDSA-N 431.876 2.560 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cnn(-c4ccccc4)c3)C2)s1 24924869 GBUOAUZRRQNLCM-SFHVURJKSA-N 444.582 2.959 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCCC3=O)cc2)s1 25499602 UMHKNEUPDLAAPM-SFHVURJKSA-N 447.582 2.653 0 40 IFAB COc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 41024852 HNBJTMGRXPXXKM-QGZVFWFLSA-N 441.509 2.936 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 42379825 RBVZSZAVOJVQHE-VMPITWQZSA-N 447.426 2.868 0 40 IFAB COc1cc(OC)c(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 58152552 GEWNIVWCCSRQOV-UHFFFAOYSA-N 442.921 2.639 0 40 IFAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(OC)c(OC)c4)c3)c2)n1 71768537 PSRZTPYTYYDZKR-UHFFFAOYSA-N 448.483 2.869 0 40 IFAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 71830325 BJJGGWIDCVGKOP-IEZKXTBUSA-N 448.567 2.848 0 40 IFAB CCCn1ncc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c1C 72340603 HGELTRIWVPUUCA-QFIPXVFZSA-N 426.540 2.878 0 40 IFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)CC2 77155206 SYXTVAHDBTVRHN-UHFFFAOYSA-N 429.951 2.910 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 90582832 FEHIBRUZDTVJNK-UHFFFAOYSA-N 437.474 2.883 0 40 IFAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)N1CCN(Cc2ccccn2)CC1 96118891 PWQWAXXHZRKDDH-UHFFFAOYSA-N 429.480 2.574 0 40 IFAB O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)s1 96119827 RPZZDQXORMTWFL-UHFFFAOYSA-N 442.518 2.886 0 40 IFAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)cc1 98087224 INYOEKLFGHKVOW-OAHLLOKOSA-N 449.583 2.891 0 40 IFAB Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+]([O-])c2ccccc2[n+]1[O-] 102921815 UJLGVJZLHAQVKI-UHFFFAOYSA-N 434.235 2.502 0 40 IFAB C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@@H]1C[C@H]2CC[C@H]1C2 104657648 VPAVPLGMHYZZAC-CVYDXHPNSA-N 432.590 2.697 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222934514 XNSQEMLORNZKPV-FQEVSTJZSA-N 445.585 2.623 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nnc(SC)s2)cc1C(=O)N1CCCCC1 224727317 MAHPKEZIVFMWQP-UHFFFAOYSA-N 428.561 2.696 0 40 IFAB CCSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)s1 225412257 JGBGJHRVQJUUDS-UHFFFAOYSA-N 428.546 2.555 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225638292 ZGUPFUIMCFMQGB-INIZCTEOSA-N 448.541 2.890 0 40 IFAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NCc4cccnc4)c(C)n3n2)C1 257234261 GSVCZKFMBGLMME-IBGZPJMESA-N 434.544 2.716 0 40 IFAB COc1ccc(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1N1CCOCC1 257286272 PKYQKGVJBSWVAO-UHFFFAOYSA-N 444.431 2.669 0 40 IFAB C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 408547695 LLWCRRDIFJHBKZ-HNNXBMFYSA-N 439.940 2.982 0 40 IFAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409059254 VTEKYZDLGNXFHB-LMOLPZMTSA-O 448.474 2.859 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 1775973802 FXTJVISOVWCRJI-UHFFFAOYSA-N 431.475 2.607 0 40 IFAB O=C(NC1CCCC1)c1ccc2c(c1)[C@@H](C1CCN(C(=O)[C@@H]3CCOC3)CC1)C(=O)N2 2055771615 MRXMGSPTOFXRPA-DYESRHJHSA-N 425.529 2.670 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1OC 806898 WZNYHPNJNRCNGB-UHFFFAOYSA-N 432.542 2.763 0 40 IFAB CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 926431 FEFAYYPASJWYMU-UHFFFAOYSA-N 446.511 2.589 0 40 IFAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)c(OC)c1 2952563 DHKKNATURGYDOF-UHFFFAOYSA-N 437.496 2.619 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCCCC2)cc1 3281298 FPIZFXBGTCBDEP-DEOSSOPVSA-N 434.496 2.845 0 40 IFAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)N1CCOCC1 3285209 DOZMGSKQIDAWLW-UHFFFAOYSA-N 438.509 2.673 0 40 IFAB Cc1ccc(CN2C(=O)[C@@H]3CCCN3c3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 8666616 SYHWVWWMKAQUHU-NRFANRHFSA-N 441.553 2.532 0 40 IFAB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8851070 XQOWQOFQJZYZKW-LBPRGKRZSA-N 438.889 2.521 0 40 IFAB Cc1ccc2oc3c(c(=O)c2c1)[C@]1(C(=O)N(C)c2ccccc21)N(C[C@@H]1CCCO1)C3=O 8917025 MJJXOFCZCPJQMF-ODCWNRFASA-N 430.460 2.956 0 40 IFAB biogenic Cc1nn2c(=O)[nH]c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2c1-c1ccccc1 9107482 YVERIQQSGYDIQA-UHFFFAOYSA-N 435.465 2.853 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9124844 RHQBHDPBHBUSMU-YLJYHZDGSA-N 448.523 2.887 0 40 IFAB Cc1c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(=O)n(-c2ccccc2)n1C 9125890 WAKQDIFQIIGTPW-UHFFFAOYSA-N 440.809 2.957 0 40 IFAB COc1cccc2cc(-c3nnc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)o3)oc12 9166769 WFDBRFWTCDADFI-UHFFFAOYSA-N 442.453 2.994 0 40 IFAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nc2ccccc2s1 9261621 HKHSGBNODIFNSV-UHFFFAOYSA-N 428.499 2.679 0 40 IFAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(Cl)cc(Br)c1OC 9296090 BXJHXNDWYXNFHM-WZUFQYTHSA-N 433.711 2.684 0 40 IFAB O=c1cc(Cc2nnc(SCc3cccc(F)c3)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 9382051 JHYNFUGPMHLAKO-UHFFFAOYSA-N 427.436 2.805 0 40 IFAB CCOc1cc2c(cc1OCC)CN(Cn1nc(C(=O)NC)c3ccccc3c1=O)CC2 9384543 UKBRXUNAUREKGF-UHFFFAOYSA-N 436.512 2.569 0 40 IFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NC(=O)Nc1ccc2c(c1)OCCO2 9612662 UTPAPLGUJNXLKV-UHFFFAOYSA-N 431.754 2.640 0 40 IFAB C[C@H](NC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(S(N)(=O)=O)cc1 9810826 SLYRAZPWXHEAIH-KRWDZBQOSA-N 430.574 2.880 0 40 IFAB O=C(CNc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc2c(c1)OCCCO2 9913254 KDTKQCKDKRRASK-UHFFFAOYSA-N 431.514 2.683 0 40 IFAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccccc1NS(C)(=O)=O 10265789 ZMOUVSXBMNYWON-UHFFFAOYSA-N 428.869 2.666 0 40 IFAB COCCn1c(=O)c2c(nc3n(-c4ccccc4F)c(-c4ccccc4)cn23)n(C)c1=O 10271938 QGVJSYVYEHBOCV-UHFFFAOYSA-N 433.443 2.591 0 40 IFAB COc1ccc(C[C@@H]2CC[C@H](CCC(=O)N[C@@H]3CN4[C@@H](C(=O)O)C(C)(C)S[C@H]34)O2)cc1 12296287 VDDXUGGVJSQYDR-MTFRMWQMSA-N 448.585 2.671 0 40 IFAB biogenic CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N1CCc2ccccc21 13058894 CFIMOTAWJAORCM-UHFFFAOYSA-N 442.585 2.928 0 40 IFAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)O 13544013 SZUJNVXDTHBDRE-PMACEKPBSA-N 428.485 2.845 0 40 IFAB COc1cccc(NC(=O)[C@H](CCSC)NC(=O)N2CC(=O)Nc3ccccc32)c1 13552231 LCHYXXAEILQZNX-KRWDZBQOSA-N 428.514 2.924 0 40 IFAB Cc1oc2cc(OCC(=O)N[C@@H]3C=CS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 13731143 DGPGBCMUBJEBAS-MRXNPFEDSA-N 425.462 2.574 0 40 IFAB biogenic CCOc1ccc(-n2nnc3c(N4CCN(C(=O)Cc5ccccc5)CC4)ncnc32)cc1 15884074 INONTEKKMVFDDZ-UHFFFAOYSA-N 443.511 2.501 0 40 IFAB CCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(Cl)cc3)nn2c1=O 16735594 ZSGUVVALLKLZSA-PDGQHHTCSA-N 425.897 2.702 0 40 IFAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 18047755 JTUQMRDRBAHHMX-WMZOPIPTSA-N 432.480 2.874 0 40 IFAB Cc1cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OCC(C)C)ccc1I 18193988 HGPAQNYSHOEDER-UKRRQHHQSA-N 446.285 2.766 0 40 IFAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19293543 MXPATUUQZKXMNK-NRFANRHFSA-N 433.487 2.840 0 40 IFAB c1csc(-c2nc(N3CCN4CCC[C@@H]4C3)ncc2-c2ccnc(N3CCOCC3)n2)c1 19343937 WSNCAAHOMQIZCO-QGZVFWFLSA-N 449.584 2.783 0 40 IFAB O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400151 YGTHKJCXUODPDR-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)CCc1ccc(Cl)cc1)C2 19701431 FVFLJGNEGXNZGF-FQEVSTJZSA-N 437.931 2.844 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)nc2c1CCN(C)C2 19708567 NOSPBMMRMZVIJP-KRWDZBQOSA-N 440.567 2.878 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)COc2ccccc2F)n1 19709933 VYPZTQJXGWRJGC-LJQANCHMSA-N 443.523 2.793 0 40 IFAB Cc1nc(N)ncc1C(=O)N1CC[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19761195 VGJQUATVXKHUSD-MRXNPFEDSA-N 432.528 2.931 0 40 IFAB COc1cc(NC(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)c(OC)cc1Cl 20450083 JOBUZJSJKQRXAN-BQYQJAHWSA-N 428.894 2.994 0 40 IFAB CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 22134701 HZDSOODEEOWNPH-UHFFFAOYSA-N 433.549 2.569 0 40 IFAB CCOCCCNC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233725 YLCJCNZPXMUOCZ-UHFFFAOYSA-N 438.521 2.714 0 40 IFAB O=C(CCNC(=O)NC1CCCCC1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40134205 VCWQVVFDEPMMIF-UHFFFAOYSA-N 436.516 2.505 0 40 IFAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)NCc1ccc(F)cc1 57493981 VMLZCNYZFAQQNG-UHFFFAOYSA-N 443.525 2.984 0 40 IFAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCCN1CCCS1(=O)=O 58151532 WHGPIRVWSAQJIZ-OUKQBFOZSA-N 436.537 2.704 0 40 IFAB CSc1ccc([C@H]2NC(=O)N(CC(=O)N3CCc4ccccc43)C3=C2C(=O)OC3)cc1 67288998 FSMNGZBTSPRGAR-OAQYLSRUSA-N 435.505 2.875 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)C1 68816370 DJCBMHPALGSZEU-ZWKOTPCHSA-N 436.574 2.973 0 40 IFAB O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 70921335 HBOQBYRZQBVPFW-UHFFFAOYSA-N 443.447 2.811 0 40 IFAB Cc1nn([C@@H](C)CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338884 JZLBQYJTFKADCW-FPTDNZKUSA-N 445.589 2.728 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N[C@H]1CCCOC1 72351317 JRRIMUXEKCRJGV-RXVVDRJESA-N 439.560 2.647 0 40 IFAB COc1cc(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)ccc1OCC(N)=O 72375745 AITRRPKHOZLHJR-GOSISDBHSA-N 434.500 2.825 0 40 IFAB CCOc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 78869317 SYMOHWGCVKWTJE-ROUUACIJSA-N 432.517 2.548 0 40 IFAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)C1 78947315 HHVPGPGIUXPQEO-URXFXBBRSA-N 444.597 2.685 0 40 IFAB CCOc1ccccc1N(CCCC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 113962274 UWCIALBNQGXGCN-UHFFFAOYSA-N 445.585 2.980 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 138967350 QMOIOGAVHOQPKB-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NC[C@@H]2CCCO2)cc1 217487182 OJQZHEZQAINRQZ-SFHVURJKSA-N 434.514 2.505 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)cc1 220491738 ZLGMTNBOZQGCNX-OAHLLOKOSA-N 446.504 2.997 0 40 IFAB COc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1I 223982900 DSUMVPRACOCPND-UHFFFAOYSA-N 447.294 2.795 0 40 IFAB Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224614244 KDDYYTYOSWLUIB-CQSZACIVSA-N 432.527 2.845 0 40 IFAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224869808 BMXDJRIBTPLLLC-UHFFFAOYSA-N 432.542 2.665 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 225326907 SWCDNFWJBGFVQR-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4ccc(Cl)cc4)no3)ccc21 225684179 BORBVEDFWIGCKR-UHFFFAOYSA-N 436.902 2.782 0 40 IFAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 226047105 AIGUALYCUMJMBI-UHFFFAOYSA-N 426.922 2.636 0 40 IFAB COc1ccccc1-c1cc(C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)[nH]n1 238896522 RCIBGMRAULHZQE-UHFFFAOYSA-N 440.887 2.890 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCCN1CCCCC1)NC2=O 247927544 DYVVCCMTIVNOEC-MXBPETCHSA-N 427.545 2.552 0 40 IFAB NC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 257281690 OQNCWPQEXFDATN-XMMPIXPASA-N 442.563 2.564 0 40 IFAB CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 257290648 QDUJTRSYHIVWIV-VQTJNVASSA-N 428.554 2.822 0 40 IFAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(Cl)cc1)S(C)(=O)=O 260907958 UYTMBLQCBHLDPB-DLBZAZTESA-N 438.933 2.841 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408658263 QLOFECDEOYJUFO-INIZCTEOSA-N 442.443 2.927 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1ccc(OC)cc1 408730284 GTXWUAIRWZKJIY-LUDQZLGDSA-N 434.517 2.916 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OCC(=O)O 409216336 JZTYHTKIFZDJNK-RGZVIEDOSA-N 437.470 2.927 0 40 IFAB CCC(=O)N1CCCN(C)CCCN(C(=O)Cc2nonc2C)Cc2cc(F)c(F)cc21 643581211 DOBLACMOLZYKDU-UHFFFAOYSA-N 449.502 2.696 0 40 IFAB CCn1nc2c(cc1=O)CN([C@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 678973593 HCDIMUSJGAANRK-IBGZPJMESA-N 434.462 2.831 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1Cl 724079 WAAMUJQNJOUNNF-BXBHGGAKSA-N 428.897 2.963 0 40 IFAB C[C@H]1CCc2c(sc3nc(COC(=O)c4nn(C)c(=O)c5ccccc45)[nH]c(=O)c23)C1 3290890 FOKDMFWDQVWWAS-NSHDSACASA-N 436.493 2.713 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 3441695 SOKPLJBRWIBILB-LJQANCHMSA-N 426.494 2.589 0 40 IFAB CCOCCCNCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC 6205121 FQLACMFEMRIRAY-UHFFFAOYSA-N 427.567 2.670 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1c(C)noc1C 6581537 YGFJPNKXYULVAW-UHFFFAOYSA-N 425.507 2.726 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc(O)c(CCC(C)C)c(=O)[nH]2)cc1OC 8677545 DUGAITCMAKNUMW-UHFFFAOYSA-N 435.546 2.532 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2CCC(n3nnc(-c4cccs4)n3)CC2)cc1 8694520 PQUMNVQMLDXULX-UHFFFAOYSA-N 440.529 2.854 0 40 IFAB COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 8942146 MYWZLJKVZVFIAZ-INIZCTEOSA-N 430.526 2.966 0 40 IFAB CC(C)(C)c1cc(NC(=O)COC(=O)c2cccc(-n3cnnn3)c2)n(-c2ccccc2)n1 9254129 XUZYLKOGFLYLMF-UHFFFAOYSA-N 445.483 2.941 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cc1 9465061 GDEFMGPVJBGQLO-INIZCTEOSA-N 427.530 2.789 0 40 IFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9495215 PWIWTZJLDJNVPA-DEOSSOPVSA-N 435.480 2.547 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3coc4ccccc4c3=O)c2C(N)=O)C1 9638947 HKIPXXFHZFPZQV-UHFFFAOYSA-N 441.465 2.720 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc23)C1=O 9865466 MMMRLJRIRWJJRE-HXUWFJFHSA-N 441.538 2.758 0 40 IFAB O=C(CSc1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9915960 GUNOTKJYQQWCSF-UHFFFAOYSA-N 430.473 2.729 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2NC(=O)c2ccccc2)NC(=O)N[C@@H]1C 9948935 IUMDENTUTNWYKO-CQSZACIVSA-N 437.452 2.614 0 40 IFAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)c4ccn(C)n4)CC3)C1)c1cccn1-2 12086243 AQFGKDXKHDONTN-XMMPIXPASA-N 433.512 2.936 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 12109365 UUKXQZFUJUWXBZ-IBGZPJMESA-N 433.505 2.660 0 40 IFAB Cn1cc(CC(=O)N2CCC(n3nnc(-c4ccc(F)cc4)n3)CC2)c2ccccc2c1=O 12143221 ZLSPYJIWBGOBQO-UHFFFAOYSA-N 446.486 2.737 0 40 IFAB COc1cccc(OC)c1OCC(=O)N1CCCC[C@H]1c1cc2nc(C)cc(O)n2n1 12161235 GTDOXCMAVKINRG-INIZCTEOSA-N 426.473 2.893 0 40 IFAB CCN(C(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2OC)c1=O)c1ccccc1 12411834 OBVDOPWUEDWJSA-UHFFFAOYSA-N 430.464 2.609 0 40 IFAB O=C(CN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1 12480239 BYJYEWVPKMEABM-UHFFFAOYSA-N 436.491 2.567 0 40 IFAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 12674241 GWUODXNOFZLBIE-ZDUSSCGKSA-N 448.526 2.724 0 40 IFAB CNS(=O)(=O)c1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 12780759 OKRCYBWWEFWAKW-UHFFFAOYSA-N 437.525 2.979 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(C)c(C)c1 12919735 WZRQOLUMQJDDQT-UHFFFAOYSA-N 426.904 2.972 0 40 IFAB CCOc1ncccc1C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 12939250 AUFHYTQSKHLIOF-UHFFFAOYSA-N 436.434 2.896 0 40 IFAB Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)[nH]c(=O)c2c1C 12978763 SMWSUHOYMFZXQX-HNNXBMFYSA-N 443.598 2.967 0 40 IFAB Cc1cc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)ccc1Br 14254863 CATPWWBEBDNSPW-UHFFFAOYSA-N 430.368 2.670 0 40 IFAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cccc(C2SCCCS2)c1 14525055 QVBKEAGTHCVHEH-UHFFFAOYSA-N 442.360 2.807 0 40 IFAB CCCNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 15853029 CZDHEWWPDKGNLV-RTGRKSDTSA-N 442.537 2.909 0 40 IFAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 15952198 QSSKEPATFKKOCP-IYBDPMFKSA-N 428.876 2.738 0 40 IFAB CC(C)(C)OC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 16247086 VJQWOTGUWFWJQT-UHFFFAOYSA-N 431.510 2.932 0 40 IFAB Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 19236914 YOUIWECYOLOKDI-QHCPKHFHSA-N 444.597 2.724 0 40 IFAB COc1cccc(NC(=O)CN2C(=O)N3CCCN=C3c3cnn(-c4ccccc4)c32)c1 19565876 HJKFZYLKHWQPNP-UHFFFAOYSA-N 430.468 2.912 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2S(=O)(=O)N2CCCC2)c1 19689738 QAGLVSYXHBUHLL-LJQANCHMSA-N 431.562 2.696 0 40 IFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3cccc(-n4cccn4)c3)nc21 19697986 IJHWCONSFAROMF-UHFFFAOYSA-N 448.527 2.559 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738867 BAIWFTJAVIDQTP-LJQANCHMSA-N 444.539 2.936 0 40 IFAB CC(C)(CNC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccc(F)cc1 19749250 UEDJDSGRCBRJHJ-UHFFFAOYSA-N 428.489 2.790 0 40 IFAB Cc1nc(C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763814 SMXLPCFJHYINMQ-UHFFFAOYSA-N 449.486 2.895 0 40 IFAB COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 22610870 MNRXAKLMGCQRCM-QFIPXVFZSA-N 434.492 2.987 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3(c4ccccc4)CCC3)CC2)cc1 30573659 DYNZPCRWNPVXCB-UHFFFAOYSA-N 441.597 2.539 0 40 IFAB Cc1ccnc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 36389865 LQBCVXXQZCIHTE-CYBMUJFWSA-N 434.529 2.776 0 40 IFAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)c1 49544390 FSNJPIMWKMXZQT-UHFFFAOYSA-N 429.816 2.759 0 40 IFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 58110001 RZVUCTKEUMVOKF-QGZVFWFLSA-N 440.523 2.998 0 40 IFAB Cc1cc(C(=O)Cn2cnc3c(nnn3-c3ccccc3)c2=O)c(C)n1CC(F)(F)F 58178554 IKILOLIYVWASJL-UHFFFAOYSA-N 430.390 2.841 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)N2CCCC2)cc1 61719471 MIYPIQCENXNIPP-NRFANRHFSA-N 449.511 2.945 0 40 IFAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc2c(ccn2CCN2CCOCC2)c1 69925500 RMLYAKXPLPRXMV-UHFFFAOYSA-N 446.511 2.990 0 40 IFAB COc1cc(CC(=O)N2Cc3ccccc3OC[C@@H]2Cn2ccnc2)cc(OC)c1OC 72394828 HAKLPUJWMZMUSI-IBGZPJMESA-N 437.496 2.941 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 72401801 PFNPWCGIQNTKAG-UHFFFAOYSA-N 429.908 2.769 0 40 IFAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)CCS(=O)(=O)c1ccccc1)n2C 100911213 NTJYEEJJRAGMMA-QZQOTICOSA-N 432.523 2.708 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220592193 WXDUPJFXJHVNOF-LJQANCHMSA-N 437.512 2.858 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc2ccccc2c1 222779639 SSMKZINOVZNJDM-UHFFFAOYSA-N 440.521 2.799 0 40 IFAB CCOC(=O)c1c(NS(=O)(=O)c2nnc(NC(=O)CC)s2)sc2c1CCCC2 224454526 RJICJVLHPPFDIG-UHFFFAOYSA-N 444.560 2.804 0 40 IFAB O=C(NCC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)c1cncc(O)c1 257315785 VCTGNQFMLXHONQ-FQEVSTJZSA-N 438.459 2.989 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260769867 SEJBHNULIFBKTI-HOTGVXAUSA-N 431.549 2.890 0 40 IFAB COC[C@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 408626563 ZQQMZLKNYQQKGT-SFHVURJKSA-N 434.558 2.967 0 40 IFAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 408655726 LWJQDZBPNWSQKZ-INIZCTEOSA-N 442.443 2.927 0 40 IFAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)C1=O 2155734 XLFXKEORUZCZNB-CYFREDJKSA-N 449.507 2.516 0 40 IFAB biogenic CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc(F)cc3)ccc12 2712351 BGAAFMPMYBBQHT-OAHLLOKOSA-N 426.444 2.787 0 40 IFAB CCCCn1c(N)c(N(CC)C(=O)COc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O 3528685 KJDLFICJPIAHQI-UHFFFAOYSA-N 429.304 2.658 0 40 IFAB COc1ccc(N2CCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1 9243232 PLOCLLCNCJRRIW-RMKNXTFCSA-N 429.480 2.770 0 40 IFAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@]3(C)CCS(=O)(=O)C3)n2n1 9467247 NTAGKEBCBNBKLG-OAQYLSRUSA-N 444.582 2.799 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnnn1Cc1cccs1 9534556 PWXPDJXHBARMMG-UHFFFAOYSA-N 431.543 2.695 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)CC1 9562885 ZQRQQUCYRXPKCU-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2)cc1 9635070 ARUVSVRWSLSBQN-UHFFFAOYSA-N 441.509 2.745 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 9883275 GNAVAQWUUAZDEZ-UHFFFAOYSA-N 444.481 2.770 0 40 IFAB CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccccc1 9920250 MPHUOEJTXHCHJX-UHFFFAOYSA-N 448.589 2.725 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2C)cc1 9953678 CUYSZHHDOZQQCG-UHFFFAOYSA-N 447.467 2.763 0 40 IFAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2cccnc21 9969955 LZPWEUCFKOSQDY-UHFFFAOYSA-N 430.892 2.905 0 40 IFAB COc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3F)n2)cc(OC)c1OC 10220824 VDJHTKIMKHZTML-UHFFFAOYSA-N 431.395 2.853 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 10295921 SNKKYMGDKZGPRW-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 11666411 BASRUDYNNFNBPX-UHFFFAOYSA-N 431.452 2.600 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2N1 12181251 ICRMZAZKCCXVPF-DARAHFNDSA-N 448.511 2.925 0 40 IFAB O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(Cc2nc3ccccc3s2)CC1 12567361 YSPQYNBWADNOPD-UHFFFAOYSA-N 433.537 2.810 0 40 IFAB C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@H](C)O1 12772714 ORXBTZAJTMQHQH-GJZGRUSLSA-N 429.970 2.562 0 40 IFAB O=S(=O)(NC1CCC(NS(=O)(=O)c2cccc(F)c2)CC1)c1cccc(F)c1 12787654 HDTSMLVPYPFAIV-UHFFFAOYSA-N 430.498 2.533 0 40 IFAB CCOC(=O)Cc1csc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)n1 13023160 WLXVTKFZAYECKO-UHFFFAOYSA-N 430.573 2.670 0 40 IFAB Cc1ccccc1NC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13039673 YHRNQVGZIRQJJO-UHFFFAOYSA-N 447.582 2.860 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 13662780 MNXIFWYFYMKBMX-UHFFFAOYSA-N 446.479 2.941 0 40 IFAB CN1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13728001 REHFIBQZVDEKAI-UHFFFAOYSA-N 441.509 2.697 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 14128941 YXNYPCSBJRIYCT-SNVBAGLBSA-N 435.980 2.512 0 40 IFAB Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 15391674 QJRZERGPROGHFC-UHFFFAOYSA-N 433.530 2.866 0 40 IFAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)NC(=O)Nc1ccc2c(c1)OCCO2 16050896 VLNYKWKZALDQNE-UHFFFAOYSA-N 447.447 3.000 0 40 IFAB CC(=O)N1CCC(c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc(N(C)C)n2)CC1 19697473 ZLCLIGUHLBQUBT-KRWDZBQOSA-N 425.508 2.928 0 40 IFAB CNC(=O)c1[nH]c(C2CCN(C(=O)c3snnc3C)CC2)nc1-c1ccc(OC)cc1 19698864 HYMWDNJYXRXATA-UHFFFAOYSA-N 440.529 2.625 0 40 IFAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19702542 LQTPBLMUFTXNOK-OAHLLOKOSA-N 439.537 2.965 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)sc2c1CC[C@@H](C)C2 19796775 ICSLSLLAJCDCBU-SNVBAGLBSA-N 433.555 2.962 0 40 IFAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 20493962 PSDPDXRJRSZLOZ-UHFFFAOYSA-N 446.510 2.506 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2N)c(OC)c1 21576499 SLQLIXZRYSRXBK-GOSISDBHSA-N 439.541 2.962 0 40 IFAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)NCCc1ccc(F)cc1 22133877 DVUMRJZGXMSBKQ-UHFFFAOYSA-N 433.553 2.791 0 40 IFAB COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc(OC)c1OC 22582361 GNODLOPCAVCJJL-FQEVSTJZSA-N 427.545 2.739 0 40 IFAB Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n(-c2ccccc2)n1 22789767 NSMJXRJDIAOKFP-UHFFFAOYSA-N 433.512 2.666 0 40 IFAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2CCOC)CC1 23819251 KPAPAIVNKMHEFX-OAHLLOKOSA-N 437.997 2.890 0 40 IFAB COc1cc(OC)cc([C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2nccn2C)c1 24022661 VSXQZZNFBAWPKM-FQEVSTJZSA-N 443.525 2.669 0 40 IFAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 26109020 SPWGYPWYSRLGMJ-UHFFFAOYSA-N 448.416 2.699 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](c3cccs3)N(C)C)C2)s1 27679738 IREXXJYXJUZGEI-HZPDHXFCSA-N 441.644 2.938 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccsc3c2=O)NC(=O)N[C@H]1c1ccc(Cl)cc1 31788918 YQINHWJCGKZMRP-INIZCTEOSA-N 444.900 2.983 0 40 IFAB C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 34858837 DKWIUCZORBAHQU-INIZCTEOSA-N 427.998 2.826 0 40 IFAB CS(=O)(=O)N(CCCNC(=O)CCc1ncc(-c2ccccc2)o1)Cc1cccnc1 40105273 CIVAWZJPOJTYES-UHFFFAOYSA-N 442.541 2.637 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N[C@H](C)c4cccc(OC)c4)c(=O)n3c(C)n2)cc1 67319442 SDOKKEIFTHKDTP-OAHLLOKOSA-N 447.495 2.761 0 40 IFAB COc1ccc(NC(=O)CN2C[C@@H](C)N(CC(=O)Nc3ccc(OC)cc3)C[C@H]2C)cc1 72308494 SLASOKKMHYZFOP-QZTJIDSGSA-N 440.544 2.676 0 40 IFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cc(C(=O)O)c(C)o1 95970415 JJCYKSZCOFKZCI-SFHVURJKSA-N 434.514 2.562 0 40 IFAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)c1 101415367 MNUZQXZGLGFDJP-KSZLKVKMSA-N 443.503 2.822 0 40 IFAB CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918477 OTLJDTMBQKLRPK-MAEUBKMUSA-N 448.556 2.715 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 223525404 IDVRVBUWNIBFRG-GOSISDBHSA-N 445.585 2.568 0 40 IFAB Cc1ccc(CN2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@H]3C2)cc1 306138691 SEKDMNQOXLZFPL-OAQYLSRUSA-N 434.519 2.528 0 40 IFAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1nnc(C)s1 408690330 UZSKONAQQZZOPQ-UHFFFAOYSA-N 426.882 2.799 0 40 IFAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(N)=O)c(OC)c2)S1 408804390 FIEDPFXYRXWVRV-UHFFFAOYSA-N 428.490 2.639 0 40 IFAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)c1 409137188 ULIVBLUKGVQDMX-CPNJWEJPSA-N 425.510 2.989 0 40 IFAB Cc1cc(OCc2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)ccc1Cl 1501040559 XLORSXKLEXJBAC-UHFFFAOYSA-N 441.966 2.866 0 40 IFAB O=C1N[C@H]2CCCN(C(=O)c3cnn4cccnc34)[C@H]2CC=CCCOc2ccccc21 1615525847 NIHRBAIQRXVTGB-PMACEKPBSA-N 431.496 2.861 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC[C@H]3CCCO3)cc2c1 880106 XTOIOLGDPSKFCI-RTBURBONSA-N 431.558 2.571 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@H]1c1ccccc1 2128940 LIKQGZXEHPKEQX-HXUWFJFHSA-N 446.459 2.801 0 40 IFAB biogenic COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1Cl 2689200 JCWLZOLUOVHOFN-SJORKVTESA-N 448.266 2.934 0 40 IFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccncc1 3622954 LZCCUXZMZDTDNG-OAHLLOKOSA-N 448.279 2.725 0 40 IFAB COC(=O)c1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)c1 3842068 VNRCPWNGCAKSNH-MTQWCTHYSA-N 428.510 2.511 0 40 IFAB biogenic,in-vitro CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 4083684 QCCOGVDURJXZER-UWJYYQICSA-N 430.593 2.865 0 40 IFAB biogenic COCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O 6136164 NLBGRYNKADPLTL-UHFFFAOYSA-N 426.542 2.845 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1 9005031 QSGQSXVRWUWEDD-KRWDZBQOSA-N 438.552 2.645 0 40 IFAB O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 9346139 RDMNATBELOOMFB-NWEKGRFWSA-N 434.602 2.925 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(C)cc2O)cc1 9430112 QKZHUYZHPJJLJF-QHCPKHFHSA-N 447.491 2.848 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)cc1 9574039 PVTDPUQJYGSPDR-UHFFFAOYSA-N 439.497 2.956 0 40 IFAB CCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 9613981 OVTOOPWAKRWZOG-WMZOPIPTSA-N 426.966 2.618 0 40 IFAB CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O 9667456 JRFLZZNREPUXST-SFHVURJKSA-N 443.569 2.793 0 40 IFAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9671991 ZBXRJIHPGDOENY-INIZCTEOSA-N 429.542 2.635 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1 10272393 ALMQMZBYXATNAO-IAGOWNOFSA-N 447.373 2.646 0 40 IFAB CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2c(S(C)(=O)=O)cccc2s1 10337323 KOLSDOXLNBYGKE-UHFFFAOYSA-N 435.546 2.976 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)CC1 10541878 UFGBMEWPEULAOR-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB COc1cc(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc(OC)c1OC 11077284 PDFWVKIEIYACTC-UHFFFAOYSA-N 428.533 2.826 0 40 IFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(OC)ccc2OC)CC1=O 11532939 CDYNKYUCHLPTJN-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Oc2ccccc2Cl)n(C)c1=O 12541382 IRZLUGBKMXVPMB-UHFFFAOYSA-N 439.859 2.518 0 40 IFAB O=C(NCCc1cn2ccccc2n1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12576956 IHZIWBSWXMXXMJ-CQSZACIVSA-N 427.302 2.809 0 40 IFAB COC(=O)c1c(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc2c1C 12770046 HPDVJZMQOYINHB-UHFFFAOYSA-N 442.493 2.937 0 40 IFAB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)c(Cl)c1 12775201 XEKGLGZBWTZPSA-UHFFFAOYSA-N 428.869 2.948 0 40 IFAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 14820054 DAQLTWSRJDUWQP-UHFFFAOYSA-N 432.542 2.763 0 40 IFAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1S(=O)(=O)N(C)C 15791347 VHCPMHOTRLNBCB-UHFFFAOYSA-N 431.558 2.525 0 40 IFAB O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1cnc2n(c1=O)CCS2 16111743 LBZRIMANLXUXNM-UHFFFAOYSA-N 436.868 2.938 0 40 IFAB COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C[C@H]3COC(=O)[C@H]23)cc2c1OCO2 16952667 TZBRMJJJXYXKGJ-IXDGSTSKSA-N 428.437 2.927 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc12 20079651 IPSDWEXALCBWFB-QFIPXVFZSA-N 448.502 2.740 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)CCC(=O)c3cccs3)ccc21 20822020 XECWPPVGKBWGMZ-UHFFFAOYSA-N 435.523 2.849 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)c1 22229932 OBPPWPDWFGTONB-SFHVURJKSA-N 434.514 2.813 0 40 IFAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CN2CCN(c3ccccc3O)CC2)c2ccccc2N1 22240698 KTWVRYJILTXIFX-IBGZPJMESA-N 448.445 2.821 0 40 IFAB CCOc1cccc(N(CC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)S(C)(=O)=O)c1 22393852 WPBFXVTWIFLYCG-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB O=C(Nc1ccccc1Br)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22530818 KGCDXCWXGGZMLY-UHFFFAOYSA-N 439.331 2.863 0 40 IFAB O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 23688298 SNJNDCQFMIWDLB-UHFFFAOYSA-N 437.493 2.964 0 40 IFAB CCc1c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cnn1-c1ccc(F)cc1 24741176 AKWUQUIMSSIDAS-UHFFFAOYSA-N 427.480 2.558 0 40 IFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1cnc2ccccn2c1=O 25171115 XLFJZXLFBHZHSP-UHFFFAOYSA-N 438.440 2.887 0 40 IFAB COc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)Cc3cccc(C)c3)s2)cc1 27664206 ANBGSKCILRFKPW-UHFFFAOYSA-N 433.511 2.847 0 40 IFAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@H]2[C@@H]1C 30884051 WFZNLLDUSYTMNI-FBHOASSCSA-N 445.604 2.679 0 40 IFAB biogenic,in-vitro O=C(CCc1cccnc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 30996908 QXPFMNOIKXMTEY-UHFFFAOYSA-N 428.341 2.854 0 40 IFAB O=C(c1cc(F)ccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32074988 SPZWOWCHZOAABI-UHFFFAOYSA-N 431.464 2.902 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@](C)(CC)[C@H]3C2=O)cc1 32594610 XWCNBSANBFCENW-MTJIALIYSA-N 432.523 2.945 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3F)n2N)c(OC)c1 32719447 IYRHYSSYGWTJTE-LLVKDONJSA-N 449.483 2.924 0 40 IFAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCc1ccccc1Cl 35506032 JLAYEEGSPIZOKO-UHFFFAOYSA-N 436.855 2.862 0 40 IFAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1cccnc1-n1cncn1 48231565 LIGNFWRIMIGVGZ-HNNXBMFYSA-N 448.430 2.800 0 40 IFAB O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1nnc(Cc2ccccc2)s1 49549338 RVAGHGFKNQMLQA-UHFFFAOYSA-N 436.541 2.599 0 40 IFAB CCCn1c(CNc2cc(C(N)=O)ccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 60211097 SBZZVIQZIZVPOA-UHFFFAOYSA-N 429.546 2.716 0 40 IFAB COc1cccc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c1 72395651 HGJUNNVRMWPOJY-JEBQAFNWSA-N 435.475 2.983 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)C(=O)c1ccc(OC)cc1 96518577 ZIOGMBFHMMHETH-LLVKDONJSA-N 447.088 2.796 0 40 IFAB CNC(=O)c1ccc(CN(CC(=O)NC(=O)NCc2cccs2)Cc2ccco2)cc1 96743034 ZFRYCVNYGBEEHY-UHFFFAOYSA-N 440.525 2.729 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CCCC4)nn3c(O)c2C1 100234838 YCKNFTRSIBWLPW-HXUWFJFHSA-N 437.544 2.973 0 40 IFAB COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220457677 WHICAWXBPDINQY-AWEZNQCLSA-N 426.485 2.877 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222412282 UJVXLYWAXPLABA-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CC(=O)Nc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 223110623 ALLAXUFDYYNIAB-UHFFFAOYSA-N 431.499 2.858 0 40 IFAB CC(C)Oc1cccc(CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 224124634 HXRYUVAZJQCMHZ-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN(C)c1ccccc1 225425506 CLPRZIXBHXCPED-UHFFFAOYSA-N 433.574 2.521 0 40 IFAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1cc(OCc2ccccc2)ncn1 225534135 HRSSSHITPUQXTQ-UHFFFAOYSA-N 433.493 2.771 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 408549382 YQBSAHVJXZCCIJ-NRFANRHFSA-N 443.525 2.968 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408604291 LUUAQNOZLXXNFS-HXUWFJFHSA-N 438.505 2.621 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C 408665444 RQGMJUTVVKDBHR-NHUSPQTBSA-N 426.513 2.841 0 40 IFAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(F)c1 1103817 JTVWPSITUIWZOJ-KRWDZBQOSA-N 435.455 2.755 0 40 IFAB O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 3350311 ZEWPLCYEOMUGNE-UHFFFAOYSA-N 446.362 2.566 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(O)C=C(C)OC(=O)[C@H]23)OCO4)cc(OC)c1OC 5758988 HLSYKUZMRGENJH-QTEQDKRBSA-N 442.420 2.731 0 40 IFAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9184537 STKUEEGDUXCSPB-MRXNPFEDSA-N 445.516 2.992 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 9290124 GOYOQZWWRKDEGJ-NSHDSACASA-N 431.547 2.758 0 40 IFAB CCOc1ccccc1OC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 9849438 PIFMYRDXXMJVCT-HNNXBMFYSA-N 444.347 2.908 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c1 10445183 PNQGCDILFVLAKI-UHFFFAOYSA-N 432.498 2.779 0 40 IFAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 12732442 HJEVSRMHKGBRKQ-AWEZNQCLSA-N 427.517 2.899 0 40 IFAB C[C@@]1(CSc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCC2)NC(=O)NC1=O 12751935 CSXGVNCSCLYUGJ-ZHRRBRCNSA-N 442.541 2.537 0 40 IFAB Cc1nc(SCC(=O)N(CC2=CCSC2)c2ccccc2)[nH]c(=O)c1CCC(=O)O 12788866 IAFYGNBLSQXSRK-UHFFFAOYSA-N 445.566 2.894 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(-c2cccc(OC)c2)c1=O 12888574 OGEQELQSDHYIFM-NRFANRHFSA-N 432.480 2.689 0 40 IFAB biogenic COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2=O)c1 13022913 JXESYUACPIHRAZ-KRWDZBQOSA-N 441.915 2.686 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1C 13074351 ULILOMLGLZPIPS-MBOZVWFJSA-N 436.574 2.571 0 40 IFAB CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)n1C[C@H]1CCCO1 13322495 WSXXPZYPHVRMLO-GFCCVEGCSA-N 426.340 2.908 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c3ccccc3n2)o1 14083494 ZFVFAHUSKFPYHD-KRWDZBQOSA-N 439.537 2.748 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 14196509 IGLGGJFFMDGDDU-FQEVSTJZSA-N 448.497 2.518 0 40 IFAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 15956851 OMFCZJCUEDECGI-UGCAPWQASA-N 431.492 2.689 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)n(C)c1 18396960 QTEJYLXZASXCIL-UHFFFAOYSA-N 448.497 2.533 0 40 IFAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCCO)ncnc4c23)CO1 19418261 CYCSTEYZRZZJTC-UHFFFAOYSA-N 429.546 2.722 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc2c1 19568235 WAGBNQAZTGVCSX-HSZRJFAPSA-N 443.555 2.517 0 40 IFAB Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c(=O)n1 19755333 YPAGWISRLBBVRH-FQEVSTJZSA-N 446.511 2.575 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O 20610817 ZJURLIWOMLWONQ-OAQYLSRUSA-N 432.480 2.573 0 40 IFAB biogenic O=C(NCc1coc(-c2cccs2)n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 22025311 DUJJNVFFLHHYQL-ZDUSSCGKSA-N 425.466 2.844 0 40 IFAB COc1cc(OC)cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 22226849 OTWFOBWUCNYMPK-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB COc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)S(C)(=O)=O)c1 22332377 QNYUDPYKDRDXRI-LJQANCHMSA-N 448.541 2.888 0 40 IFAB NC(=O)c1cc([C@@H](O)CNC[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1 22589464 MUDKZNGUXRBVIH-FPOVZHCZSA-N 434.492 2.828 0 40 IFAB COC(=O)c1cc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1OC 23028195 BREWHVXNEHUGOC-UHFFFAOYSA-N 443.477 2.979 0 40 IFAB COc1cccc(N2CCN(C(=O)CCn3cnc4sc(C)c(C)c4c3=O)CC2)c1 31386381 PNYHMMKNXIEJTL-UHFFFAOYSA-N 426.542 2.822 0 40 IFAB COc1ccc(CNC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 35485510 SCZCOHIZVQWVAV-IWRZYZMASA-N 435.568 2.949 0 40 IFAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCN(c3ccccn3)CC2)c2ccc(F)cc21 36365724 QYJDZFAFHOOBQT-NRFANRHFSA-N 426.448 2.598 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCc2ccccc21 36390557 ZTXQMUAETZXQRX-BEFAXECRSA-N 430.526 2.709 0 40 IFAB CC(C)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 40020167 KJFIZEVTONFNPT-FQEVSTJZSA-N 439.578 2.707 0 40 IFAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 40141614 NYUDLAKMMNUHAG-MRXNPFEDSA-N 428.583 2.722 0 40 IFAB Cc1cc(C)cc(-c2nn(CN3CCCN(C(=O)c4ccc[nH]c4=O)CC3)c(=S)o2)c1 58434747 KDSNQPSJCJDBQT-UHFFFAOYSA-N 439.541 2.983 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 59274744 XMGIYZITOKSVCU-UHFFFAOYSA-N 429.448 2.646 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1OC 67226223 GSPLFDAXPDVAQR-ZDUSSCGKSA-N 443.529 2.745 0 40 IFAB CCn1cc(CN2CCC[C@H](c3cc(=O)[nH]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)cn1 72399214 FNVQZONCURVEAO-FQEVSTJZSA-N 440.592 2.728 0 40 IFAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2CCN(C(=O)c3ccoc3)CC2)cc1 77099717 KUFGWZQFQMYSDX-UHFFFAOYSA-N 432.542 2.673 0 40 IFAB COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 79024917 KYVLJVZEZRNCPW-QFBILLFUSA-N 434.496 2.895 0 40 IFAB O=C(NCc1ccncc1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155944 VJBSEDWTCWZJKB-UHFFFAOYSA-N 426.524 2.982 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccs2)C1=O 103366433 YRQLMNONXCGWBO-JTSKRJEESA-N 426.542 2.860 0 40 IFAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 107365539 ALVCIIDTNGGTRL-MJGOQNOKSA-N 426.542 2.730 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223028207 SUTDRGXWNSSWMZ-NRFANRHFSA-N 445.585 2.623 0 40 IFAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1cccnc1 223134136 AOSVNYYXTIDCSH-GOTSBHOMSA-N 448.596 2.880 0 40 IFAB CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 224389861 PTMIFDWPHSQQFP-HXUWFJFHSA-N 432.542 2.706 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2F)cc1 224901382 BCZHMCNGACMKBF-UHFFFAOYSA-N 445.266 2.827 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224998100 IEHKNFKFLQSNER-UHFFFAOYSA-N 432.933 2.771 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 225014418 JWBUJCPCEMTFAD-UHFFFAOYSA-N 446.569 2.634 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1cccc(OC(C)C)c1 225765711 LPSVEHHYPCRXCZ-UHFFFAOYSA-N 434.558 2.982 0 40 IFAB CC[C@H](C)CC[C@H](O)CC(=O)O[C@H](CCCCC(C)C)CC(=O)N[C@@H](CO)C(=O)O 252515566 LQIHCTVXRQRKEH-OKYOBFRVSA-N 431.570 2.644 0 40 IFAB biogenic,in-vitro O=C(O)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 575423610 OYKXORHVVLVTPO-GOSISDBHSA-N 443.587 2.777 0 40 IFAB CN(Cc1ncccn1)C(=O)[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 585101823 DJNABQXQXXMUHH-JOCHJYFZSA-N 446.555 2.550 0 40 IFAB CC[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772595013 PETSLLGWMZOBNV-ATZDWAIDSA-N 444.498 2.683 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 1289442 PBKSRLYKBHEHNE-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB NC(=O)c1cc(NC(=O)c2cc(Br)c(Br)s2)cc(C(N)=O)c1 2632870 YVVJGTAQGMEAGI-UHFFFAOYSA-N 447.108 2.723 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O 3346984 VMMMPBRSASJKFA-SFHVURJKSA-N 426.469 2.508 0 40 IFAB O=C(O)CCCCCN(C[C@H](O)COc1ccccc1)C[C@H](O)COc1ccccc1 4358523 XIWHNQHSSFOOHH-SFTDATJTSA-N 431.529 2.813 0 40 IFAB Cc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 8710232 SLZDHBONBMJJCV-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCCOc1ccccc1 8860971 KDRMBSURSRFMKT-UHFFFAOYSA-N 434.514 2.514 0 40 IFAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 8886460 FTCDLFNXSQGZMZ-DEOSSOPVSA-N 428.448 2.592 0 40 IFAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1 9111345 YPQVODNQBWMAIH-UHFFFAOYSA-N 429.479 2.905 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)cc1 9262006 NQJWTYKLPNNYBA-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]31 9450012 CFPGWKCCBMMJHJ-AGHSDBIVSA-N 430.888 2.809 0 40 IFAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCC1 9885412 UUVSHZQTFJQDJD-UHFFFAOYSA-N 427.526 2.934 0 40 IFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 9905158 AHXBZYFGBSPJEP-UHFFFAOYSA-N 442.825 2.858 0 40 IFAB O=C(CNc1cc2c(cc1Cl)OCCO2)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10940756 LGXQEHAUDKDIAJ-HNNXBMFYSA-N 436.917 2.743 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C(C)C)n1 12231525 DUHZHRHBJSUNCC-UHFFFAOYSA-N 426.908 2.982 0 40 IFAB COCCNC(=O)CSC1=Nc2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 12391852 BDTGYIAVTQGPLV-UHFFFAOYSA-N 446.964 2.783 0 40 IFAB COc1cc(C(=O)NC2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc(OC)c1OC 12644610 BPSKNEBUBBKMJO-APWZRJJASA-N 447.576 2.602 0 40 IFAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 13149540 AOAPFLKGROGWCW-UHFFFAOYSA-N 448.516 2.782 0 40 IFAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)no1 14771595 MZPNBYLRWDLEBR-UHFFFAOYSA-N 430.486 2.768 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1 15636945 SEJVKLXZZBAQJF-UHFFFAOYSA-N 433.555 2.874 0 40 IFAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16021197 CAJIAIMMSHCSFM-KEXUJGGDSA-N 425.435 2.541 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Br)c3)c2)CC1 16028384 OISARVJFPKIHDA-UHFFFAOYSA-N 438.347 2.638 0 40 IFAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C[C@@H]1COc2ccccc2O1 16628648 VPEZAHJTIOATGH-OAHLLOKOSA-N 447.417 2.996 0 40 IFAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)o1 18416986 OYHFCSNPUJVGSV-IBGZPJMESA-N 434.290 2.776 0 40 IFAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCOCC3)C1)N2 19084037 LRNWZPPVISTQPJ-IXDOHACOSA-N 439.551 2.742 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)C1CCCC1)C2 19701287 NXNGUJYOLMUZOY-NRFANRHFSA-N 439.535 2.524 0 40 IFAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2ccccc12 19761203 ONJWXSQKIMUGMW-HNNXBMFYSA-N 449.536 2.882 0 40 IFAB O=C1N(CN2CCOCC2)c2ccccc2[C@]12OC[C@@H](COc1ccc(Cl)cc1)O2 20494801 HSRQKNLJNNFPDB-XMSQKQJNSA-N 430.888 2.624 0 40 IFAB CCCc1nc2oc3c(N4CCN(CCO)CC4)ncnc3c2c2c1COC(C)(C)C2 20503978 PCSXUBZGOPTMON-UHFFFAOYSA-N 425.533 2.689 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCc4ccccc4[C@H]32)C1=O 20567578 AAKBOATUFHFPIF-FQEVSTJZSA-N 426.476 2.932 0 40 IFAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(C(=O)N2CCCC2)CC1 24969799 PPSCHJURFPYDKW-UHFFFAOYSA-N 430.512 2.908 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3sc(C)c(C)c3c2=O)NC(=O)N[C@H]1c1ccco1 27118842 STWRBEBXYQKXFV-INIZCTEOSA-N 428.470 2.539 0 40 IFAB CC(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)n(N)c2=O)cc1 27546539 GQBYUBABUVZFRI-UHFFFAOYSA-N 427.505 2.936 0 40 IFAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32983256 RWUIRUBLTKAIHI-XMMPIXPASA-N 445.519 2.905 0 40 IFAB NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4ccccn4)n3)ccn2)CC1 35424708 BCEKQNASFDIXTB-IBGZPJMESA-N 433.516 2.565 0 40 IFAB biogenic,in-vitro O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)NC1CCCCC1 56949825 LISDJWCXJKPHMF-UHFFFAOYSA-N 443.519 2.929 0 40 IFAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 71830326 BJJGGWIDCVGKOP-NQHRYMMQSA-N 448.567 2.848 0 40 IFAB O=C(Nc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 72321536 ZYRWNGWOVDMXEC-IFMALSPDSA-N 425.485 2.770 0 40 IFAB biogenic,in-vitro O=C(NCC1CCN(C(=O)c2ccoc2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 77099761 ZLFSWBMLZJTWHI-UHFFFAOYSA-N 439.390 2.785 0 40 IFAB COC(=O)CNC(=O)c1cccc(NC(=O)c2sc3ccccc3c2C[S@](C)=O)c1 89400945 WUEUREVWLYPGLY-SSEXGKCCSA-N 444.534 2.935 0 40 IFAB O=C(C1CCN(c2cncc3nnnn23)CC1)N1CCC[C@H]1Cc1ccccc1Cl 95436698 XNIQUJDHXKGQAJ-KRWDZBQOSA-N 425.924 2.623 0 40 IFAB CN(C)c1nccc(N2CCC3(CC2)CN(C(=O)C2CCOCC2)Cc2ccccc23)n1 96242650 BWAXOXKFRAJHMR-UHFFFAOYSA-N 435.572 2.850 0 40 IFAB O=C(NCc1ccccn1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 96243858 FNNPKBZLWWUURX-OAQYLSRUSA-N 435.503 2.624 0 40 IFAB COc1ccc(N2C(=O)CC(=O)N=C2SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 106175649 XJGRQEOYNRMBRY-YRBFXIGRSA-N 429.542 2.989 0 40 IFAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 223058724 NDOBAOHKMAPUPY-UHFFFAOYSA-N 444.488 2.982 0 40 IFAB COc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c(OC)c1 223096158 ASWBXRCTQNMBIR-UHFFFAOYSA-N 448.526 2.627 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)ccc21 223913998 ADCMMJNXXRNYJW-UHFFFAOYSA-N 426.498 2.775 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccccc2Cl)cc1OC 225761778 CEJSSRMMSVAUEC-UHFFFAOYSA-N 440.949 2.727 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 225862466 FIKBARHQHQFKSZ-CQSZACIVSA-N 425.510 2.930 0 40 IFAB COCCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)c(OC)c3)OC2)cn1 225918297 SUACEQGHCOFVCT-UHFFFAOYSA-N 432.473 2.814 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 253601586 CEFIGYGDDALBDP-UFRIGAJXSA-N 430.520 2.940 0 40 IFAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCc4nc5ccccc5[nH]4)[C@H](O)[C@@]3(O)[C@@H]1C2 257283239 OXKUUHIOUTVKCB-NZGVUHLGSA-N 449.507 2.790 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)c1 408665684 VRWPNVGWZZDZRZ-UHFFFAOYSA-N 428.441 2.807 0 40 IFAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)c1OCC(=O)O 409213967 VPGPXZBPZBRUML-CDCQXCROSA-N 437.470 2.927 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2cccs2)no1 604419717 WTUNEIHNMYCHPI-OHOGDBNVSA-N 438.509 2.957 0 40 IFAB O=C(Nc1ccc(F)cc1F)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 952844966 XCWUNUBHJURYBK-SSSFQFABSA-N 442.422 2.676 0 40 IFAB biogenic,in-vitro CN1C(=O)N[C@@](C)(c2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)C1=O 1557235122 YKIJEIKHGMORPB-FYSMJZIKSA-N 449.511 2.966 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)cc1 1888881826 AWGHHLNPCFOOPL-UHFFFAOYSA-N 439.647 2.761 0 40 IFAB CCN(C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1)[C@@H]1CCS(=O)(=O)C1 2646937 IWEDVPZNJMEQQS-DSQDWWTGSA-N 439.580 2.929 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1 3366712 UHFKAOMOCSODLB-LLVKDONJSA-N 446.312 2.546 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2c1 6282929 CIHJLLWHVWHXIY-OAQYLSRUSA-N 434.475 2.896 0 40 IFAB Cc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 8601493 ASLNPSUGTIZDFI-QGZVFWFLSA-N 432.523 2.597 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc(Br)c1 8848952 MHJXYHNMJXEQDG-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 9127700 CTWHMSDTUGPDSW-QGZVFWFLSA-N 445.541 2.750 0 40 IFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 9324022 UPWDFNWYWMNMRE-SFQUDFHCSA-N 439.468 2.806 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CCc2ccccc2C1 9480989 BQKOXBXCZFWTTA-UHFFFAOYSA-N 449.580 2.840 0 40 IFAB COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 9491598 RMWKUVANUZHDGX-RTBURBONSA-N 446.569 2.773 0 40 IFAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 9665985 QGLRYZCLEGJQHQ-CQSZACIVSA-N 443.525 2.938 0 40 IFAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)ccc2OC)c1N 9677867 UJRHRXIRFYPACT-UHFFFAOYSA-N 444.879 2.812 0 40 IFAB COc1ccc(CCNC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1 9828698 SYFRZVYWQQRWCV-UHFFFAOYSA-N 431.539 2.854 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 10022431 GPQLMNGRWWAMDL-CMDGGOBGSA-N 440.880 2.860 0 40 IFAB CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 11694046 HLBFLQQIADMQDI-UHFFFAOYSA-N 425.460 2.951 0 40 IFAB O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12409937 YHWOLFVWGOOIBR-ZDUSSCGKSA-N 435.406 2.844 0 40 IFAB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1C[C@H]1CCCO1 12638075 FOXBHDGVQKGIBE-GOSISDBHSA-N 448.541 2.574 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12766929 UDTWKOILFBECMK-HXUWFJFHSA-N 429.952 2.880 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H](C(=O)N1CCCC1)c1ccccc1 12797768 ZLTCJATXZHCMRX-JOCHJYFZSA-N 429.586 2.968 0 40 IFAB Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009234 UQMZYENKZIYBSH-UHFFFAOYSA-N 426.546 2.605 0 40 IFAB CCOC(=O)c1ccc(C)c(CNC(=O)CSc2nnc(-c3ccncc3)n2C)c1 15108461 WIMMSKATAFXFJS-UHFFFAOYSA-N 425.514 2.771 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Br)cc1 16146791 YGLHZTFMIMLXAK-UHFFFAOYSA-N 433.349 2.809 0 40 IFAB COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@H]3[C@@]2(O)C(F)(F)F)n1 16957618 GUGKDIFGPJWWEK-SJKOYZFVSA-N 427.404 2.976 0 40 IFAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(C)cc1 18699475 DMAACUPNSKYXBP-FQEVSTJZSA-N 432.542 2.906 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)CC1 19085322 XBQXHRDVZJURJP-LJQANCHMSA-N 437.544 2.959 0 40 IFAB O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349301 QAEBGLCSMOJLRU-OAQYLSRUSA-N 433.487 2.840 0 40 IFAB Cc1nn2c([C@@H]3CCN(C(=O)CCc4ccccc4F)C3)ccnc2c1Cn1cncn1 19707640 GREKBEHQOXHDTP-GOSISDBHSA-N 433.491 2.765 0 40 IFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)c3ccccn3)CC2)n1 19754942 LDMXQSJKRYTJFP-UHFFFAOYSA-N 435.503 2.979 0 40 IFAB CN1C(=O)C[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@H]1c1ccccc1 20427302 JOCUEBGLTXSEOI-KBXCAEBGSA-N 429.523 2.858 0 40 IFAB O=C1C[C@@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccc(Br)cc1 22848375 YELOASIDZOMSTC-QGZVFWFLSA-N 434.359 2.960 0 40 IFAB COc1ccc(F)cc1CN1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 22918671 KOTJKILQWYYVQN-UHFFFAOYSA-N 443.475 2.522 0 40 IFAB O=C(Oc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 23120395 SFQGGKOSWKKIPP-UHFFFAOYSA-N 429.494 2.910 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 23145062 VEEOAALVFKKBKH-UHFFFAOYSA-N 446.554 2.868 0 40 IFAB O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc(CN2CCOCC2)cc1 23995609 GJSXINPDCGKDMG-UHFFFAOYSA-N 432.318 2.650 0 40 IFAB Cc1cc(OCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ccc1Cl 24527283 YOCPAKMEUSMYES-UHFFFAOYSA-N 425.920 2.897 0 40 IFAB O=C(C1CCN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)CC1)N1CCc2ccccc2C1 29883629 RXXCWUMETQMXJT-JOCHJYFZSA-N 433.556 2.517 0 40 IFAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2)CC1 32125173 FXEGMVBPUFGGTR-UHFFFAOYSA-N 439.537 2.939 0 40 IFAB Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cn2c1 32829678 PMYUMDWCWNAJKS-IAGOWNOFSA-N 443.525 2.798 0 40 IFAB Cc1nc(S[C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)sc1CC(N)=O 32871350 WOHRPQYRUFKGHR-JIEKGTPASA-N 436.603 2.755 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1CCN(CCSc3ccccc3)CC1)OCO2 32932766 SEVANBBDAHAVPY-UHFFFAOYSA-N 441.553 2.966 0 40 IFAB CC(C)NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12 32974862 BARCLHKOZAKXKT-UHFFFAOYSA-N 425.489 2.848 0 40 IFAB O=C(CCCCCn1cnc2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 33523649 QFISFBLKURJDBK-RBUKOAKNSA-N 432.524 2.765 0 40 IFAB Cc1cccc(N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1C 34886245 JZLJZNNBLILAKR-UHFFFAOYSA-N 433.556 2.862 0 40 IFAB CCOC(=O)C1=NN[C@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 35146836 CMKCUMNBOZASHU-QRWLVFNGSA-N 432.263 2.901 0 40 IFAB COc1ccc([C@H]2C[C@@H](c3ccccc3)N=C3N=C(NC(=O)CCCC(=O)O)NN32)cc1 38198254 YIXCZMTVSHQVTK-RBUKOAKNSA-N 435.484 2.785 0 40 IFAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CC(=O)NCCCOC(C)C 40127562 JJOSASZBYSCNAA-UHFFFAOYSA-N 427.954 2.680 0 40 IFAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)ccc21 62582184 VJTWIAVSMMUTNN-SFHVURJKSA-N 434.540 2.934 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)n1 72370618 ISCFVWNQHCGXMB-HNNXBMFYSA-N 438.553 2.934 0 40 IFAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)CCN3C(=O)CCNC3=O)n2)sc1C 72375851 WAIJAWILLLBCNZ-INIZCTEOSA-N 442.545 2.894 0 40 IFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79480979 AUUVXUVEXKJBAD-AWEZNQCLSA-N 435.937 2.525 0 40 IFAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100625168 VXSJVZPJFPQGTN-HLIPFELVSA-N 442.537 2.958 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 223087744 NQZXEIMPEHZMJN-UHFFFAOYSA-N 434.558 2.852 0 40 IFAB CCCOc1ccccc1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 223260254 HPTKMZSAJWRNNT-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CN(c1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)cc1)S(C)(=O)=O 223736035 NXGZBDVLAFLPLA-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB COc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 224344217 MZJNJXYQKDLNDD-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224829323 XQFBNKZDUBSBDW-KRWDZBQOSA-N 434.558 2.979 0 40 IFAB COc1ccccc1CC(=O)N1CC[C@H](c2nc(C)c(CC(=O)N3CCCC3)c(C)n2)C1 257226286 FJZSANIKEXYNJW-FQEVSTJZSA-N 436.556 2.826 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cccn2C)c1 257301710 RZOSTKBDACVMBN-IBGZPJMESA-N 426.517 2.819 0 40 IFAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)n1 257317509 VJZYUASDGHPQER-GOSISDBHSA-N 440.529 2.514 0 40 IFAB O=C(NC[C@@H](CO)Cc1ccccc1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 502807256 FRCYGWPXZOGDPI-RXVVDRJESA-N 426.517 2.960 0 40 IFAB COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C1=O 952990050 STFFFCMEOYPIOO-UHFFFAOYSA-N 437.496 2.994 0 40 IFAB Cn1c(CCNC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)nc2ccccc21 1548348656 PRLZKBWPGIGFDD-UHFFFAOYSA-N 432.524 2.827 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CCC[C@@]4(COc4ncc(F)cn4)C3)nn2)n1 1888922118 LLBNAVMQAOKWJZ-AOMKIAJQSA-N 437.479 2.530 0 40 IFAB O=C(C1CCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1 1325205 KNDPCSYJDNXPCQ-OAHLLOKOSA-N 426.908 2.722 0 40 IFAB Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)C[C@H]3CCCO3)c(=O)[nH]c2c1 1373091 LFQMBXXXLYWBFS-LJQANCHMSA-N 434.500 2.646 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 8816446 KEFYQXCTGUTHKX-KRWDZBQOSA-N 433.574 2.981 0 40 IFAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9113831 XBMNGXVKKCDPRL-UHFFFAOYSA-N 439.541 2.979 0 40 IFAB Cn1c(SCC(=O)c2ccc(S(C)(=O)=O)cc2)nnc1[C@@H]1COc2ccccc2O1 9255523 AOMQAULZBFXAKS-SFHVURJKSA-N 445.522 2.706 0 40 IFAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 9336652 NOQDBYHTFFHUOG-OAHLLOKOSA-N 444.586 2.960 0 40 IFAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)no1 9526019 AIWIMNJYYWQFOR-UHFFFAOYSA-N 431.445 2.696 0 40 IFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC(=O)NC1CCCCC1 9589551 MXQVTKFGHKQOKJ-UHFFFAOYSA-N 434.496 2.641 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)cc1 9632971 MJJAKGPFNZAHTC-UHFFFAOYSA-N 437.525 2.710 0 40 IFAB COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 9971656 GHXBMSFSAANQEU-UHFFFAOYSA-N 441.465 2.514 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1 10187753 YEOFJAOMVMZRON-UHFFFAOYSA-N 438.411 2.861 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 13632742 AABXVZDDNOYROH-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB O=C(CNC(=O)c1ccccc1)NC1(C(=O)Nc2ccc3c(c2)OCCO3)CCCCC1 13880215 XUHOBNUDZWWTSG-UHFFFAOYSA-N 437.496 2.645 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnnn2C2CCCC2)cc1 14247835 CIJIIUKPCAGLNA-ZDUSSCGKSA-N 438.579 2.594 0 40 IFAB COc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1OC 14248027 VPUDMMBKLIVMKK-UHFFFAOYSA-N 448.541 2.769 0 40 IFAB COc1cc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1OC(F)F 14251885 GJXAMIMSGWEJEX-UHFFFAOYSA-N 426.485 2.944 0 40 IFAB O=C(COc1ccccc1)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14269078 ZIQJPQQKRGBDSS-UHFFFAOYSA-N 445.413 2.984 0 40 IFAB COc1cc([C@@H]2c3cc4c(c(OC)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 14638387 BFKORKXLSJUYSS-DPMMWBKBSA-N 428.437 2.927 0 40 IFAB biogenic COc1ccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 15391113 YJOOKPNCWQTSJE-GOSISDBHSA-N 432.542 2.954 0 40 IFAB CCCCn1c(CN(C)C[C@H]2COc3ccccc3O2)nc2cc(S(N)(=O)=O)ccc21 15447082 YENRKHQNXZDTPI-INIZCTEOSA-N 444.557 2.756 0 40 IFAB CC(C)N1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2C1 15880197 HOUNZTPNXGAFIO-UHFFFAOYSA-N 434.587 2.946 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 15996518 CKQHOCFSFLTMIJ-YWNPBTLJSA-N 437.883 2.780 0 40 IFAB CC(=O)N1CCN(C(=O)Cn2cc(CN(C)C)c3ccnc(-c4cccs4)c32)CC1 19017821 UWIPDRGWMBYVOG-UHFFFAOYSA-N 425.558 2.517 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cccnc2)CCO1 19580780 YYAMNEOPGSSQDC-VWLOTQADSA-N 430.508 2.686 0 40 IFAB CCN(C(=O)c1cnc(N(C)C)nc1C)[C@@H]1CCO[C@H](c2ccc(C(=O)N(C)C)cc2)C1 19712696 BVTKWWPBVRWCGS-CTNGQTDRSA-N 439.560 2.935 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 20283449 VDLDLJCTBSVHMB-JOCHJYFZSA-N 438.503 2.819 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@@H]3c1ccc(C)cc1 20308773 CLVLKQBDXGHHBZ-JOCHJYFZSA-N 434.492 2.987 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1C 20638746 COQPTOJJAJUTAT-UHFFFAOYSA-N 428.606 2.971 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC2)CC1)OCc1ccccc1 25170819 ZZXBLFIWXXMRKR-QFIPXVFZSA-N 435.524 2.605 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 26673182 FXFUKHGBLURGSX-KRWDZBQOSA-N 434.583 2.974 0 40 IFAB Cc1nnc(S(=O)(=O)Nc2ccccc2)n(Cc2ccc(Br)cc2)c1=O 32611942 FVZUKATVGXZXNU-UHFFFAOYSA-N 435.303 2.558 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c(O)c(OC)c1)n2CC 32668280 DJZPKNQZJSTGJQ-UHFFFAOYSA-N 437.294 2.850 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)s1 32928251 QFEDTFSGJBSTCD-UHFFFAOYSA-N 439.946 2.995 0 40 IFAB Cc1ccc(CSCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38837314 YXTLZEFUSRODOT-HXUWFJFHSA-N 434.583 2.880 0 40 IFAB C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)C1 40388654 CVIFACNZOVLYFR-LOWVWBTDSA-N 431.443 2.595 0 40 IFAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)c1 44889922 GUNOHCVKFQRBRB-UHFFFAOYSA-N 433.493 3.000 0 40 IFAB CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)CCCc2nnnn2-c2ccccc2)cc1 48230241 INRCTRXHBCIOMY-INIZCTEOSA-N 427.530 2.599 0 40 IFAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 48253989 VXNYAGBIISIDFL-CZUORRHYSA-N 437.418 2.897 0 40 IFAB CCOC(=O)c1cnn(-c2ccc(NC(=O)NCc3cccnc3-n3cncn3)cc2)c1C 48301205 RNKWLNMGGZPPBD-UHFFFAOYSA-N 446.471 2.655 0 40 IFAB CCC[C@@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 72070628 PNWILEWYMMEEJI-JOCHJYFZSA-N 447.543 2.729 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)oc3ccccc32)c1C 84218777 NRRIWJJTUAJDOT-SFHVURJKSA-N 437.496 2.858 0 40 IFAB COc1cc(Br)c(S(=O)(=O)NC(=O)c2ccnc(Cl)c2)cc1OC 95953106 QKFSVFFNUJQOIH-UHFFFAOYSA-N 435.683 2.633 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)cc1 96241168 OGRAHOFVBGGFTO-IBGZPJMESA-N 434.583 2.790 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)nn2c(O)c1C 100138785 CJDNHRAXJUSMPK-KXBFYZLASA-N 432.484 2.686 0 40 IFAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)c1 101415371 MNUZQXZGLGFDJP-ONJIFJTESA-N 443.503 2.822 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220453959 IAFCXZANFAYZFV-ZDUSSCGKSA-N 439.484 2.898 0 40 IFAB O=C(NCCO)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223073748 XRVLPUYODCGLEZ-XMMPIXPASA-N 432.520 2.814 0 40 IFAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 223872549 VOKPHTOMBVKWAC-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)ccc21 225028385 FXQCAARYTGOVAD-UHFFFAOYSA-N 425.919 2.658 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 226034944 ZGYRNTJSAIWJNS-UHFFFAOYSA-N 430.526 2.682 0 40 IFAB O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257252659 JVPQQAALJZUPRC-FPOVZHCZSA-N 441.434 2.555 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666188 SKPRWCZKJSABPJ-OWWRBYITSA-N 439.295 2.895 0 40 IFAB CCOc1c(I)cc(/C=C2\NC(=S)N(CC)C2=O)cc1OC 409007136 OIXSUIOOVVJBBH-XFFZJAGNSA-N 432.283 2.776 0 40 IFAB COC1(CC(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@H]3c2ccccc2)CCC1 2055793391 WZFSNHBFHNPHIY-BKMJKUGQSA-N 449.551 2.764 0 40 IFAB O=C([C@H]1C[C@@H](NCc2ccc(F)c(F)c2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCCC1 2332241846 RRZIZJNDCDZQKK-FCXXMXSZSA-N 430.499 2.811 0 40 IFAB O=C(OCc1c(F)cccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3620449 NGCVKCYFERHMMZ-UHFFFAOYSA-N 431.844 2.996 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCCCCC3)cc2c1 4537618 ALIAGIPXKABJHF-FQEVSTJZSA-N 426.521 2.525 0 40 IFAB CCCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6481295 ICAOKUWXBDJLNO-ZDUSSCGKSA-N 435.550 2.533 0 40 IFAB O=C1NC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)C(=O)N1Cc1ccccc1 8769365 GNOFGGYBRJKLSW-UHFFFAOYSA-N 433.917 2.615 0 40 IFAB COc1ccc(CN(C(=O)c2nc(SC)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 8868226 QQLHANVMRKCBQQ-CYBMUJFWSA-N 441.962 2.690 0 40 IFAB CCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1 9016325 DBWUDSFPJPWOJU-UHFFFAOYSA-N 445.523 2.707 0 40 IFAB COc1ccccc1CNC(=O)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 9134287 YDOJAJLHHSYYSM-JOCHJYFZSA-N 429.476 2.716 0 40 IFAB C[C@H](NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1cc2ccccc2o1 9725058 XPIZDGFZLPKVQY-ZDUSSCGKSA-N 425.466 2.705 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)c(C)c1 9761596 ZSJNFUHEZQVOMN-UHFFFAOYSA-N 446.456 2.933 0 40 IFAB O=C([C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1)N1CCOCC1 9861483 AKEOOXNUQCRLBU-HXUWFJFHSA-N 447.582 2.558 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc2c(c1)OCO2 9876736 AHVIBUQQKQHFIA-INIZCTEOSA-N 445.541 2.659 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)C1 10557752 LNOBMCNWXXXRAG-MRXNPFEDSA-N 433.530 2.583 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccsc2)c2cccnc2OC)CC1 12228956 VAMJYLQYTYJLCI-GOSISDBHSA-N 437.587 2.613 0 40 IFAB CCCn1c(N2CCN(S(=O)(=O)CCC)CC2)nc2sc3c(c2c1=O)CCCC3 12321679 RSKNYUFVWCYNAE-UHFFFAOYSA-N 438.619 2.609 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 12553932 FJGPADANPFRGMV-JOCHJYFZSA-N 436.512 2.864 0 40 IFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 12786507 PFINUKMRSHJQJH-UHFFFAOYSA-N 442.537 2.881 0 40 IFAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(C(=O)OC)ccc21 13163029 TZLKHVXDEHWBJF-MRCUWXFGSA-N 447.538 2.501 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)oc1N1CCOCC1 13693756 DZSBLUHPXXQALR-UHFFFAOYSA-N 428.466 2.782 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 14244096 IPYAIPAPYFYQCD-UHFFFAOYSA-N 444.340 2.921 0 40 IFAB O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 16090868 OXUJCYVGAAGHNS-UHFFFAOYSA-N 441.383 2.750 0 40 IFAB COc1ccc(NC(=O)CN2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)cc1 19692557 QEASZQCKMWUDLI-QHCPKHFHSA-N 446.507 2.868 0 40 IFAB COc1ccccc1CNC(=O)c1cnc(C2CCN(CCN3CCCC3)CC2)nc1C 19766549 GTNCKWLGKWBPIW-UHFFFAOYSA-N 437.588 2.999 0 40 IFAB CC(C)C(=O)N1CCN(Cc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 20592313 DCSMFZFIRSAHIY-UHFFFAOYSA-N 449.555 2.891 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F 20731324 ALCVYUZHQVXZOY-WMZOPIPTSA-N 436.509 2.509 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccc(-n4cccn4)cc3)ccc21 21471890 LHYLLFCJGBXPST-UHFFFAOYSA-N 439.493 2.624 0 40 IFAB O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NCC1(N2CCOCC2)CCCCC1 22088960 ZZZULWZPGTUTHJ-UHFFFAOYSA-N 449.039 2.609 0 40 IFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2CN2CCN(Cc3ccccc3)CC2)C1 22789107 MOVOUNAHPYLWFD-OAQYLSRUSA-N 438.597 2.789 0 40 IFAB C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 23139383 PEBNNLVMPKLGFD-CQSZACIVSA-N 426.498 2.945 0 40 IFAB Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3cccs3)N3CCOCC3)c(C)n2n1 23745229 RFRYSMDAAKRPKE-LJQANCHMSA-N 427.574 2.838 0 40 IFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc2c(cc1Br)OCCO2 24946428 UIJWMUJHSPDISE-UHFFFAOYSA-N 432.278 2.846 0 40 IFAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 25906336 AFIFZJPCAICMCN-INIZCTEOSA-N 447.582 2.609 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 28324227 CPRWMMDPUKSWNT-UHFFFAOYSA-N 438.366 2.618 0 40 IFAB O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nnnn2-c2cccc(F)c2)CC1 29446548 DRQADRMJYXKVTI-UHFFFAOYSA-N 440.504 2.771 0 40 IFAB C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O 32744869 IKTLKXFECZXJOP-LBPRGKRZSA-N 433.386 2.787 0 40 IFAB COc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 32901734 BPJJKDCESJCDLT-CABCVRRESA-N 430.457 2.719 0 40 IFAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCN(c2ccccn2)CC1 33379290 UFNJXACACJNJII-UHFFFAOYSA-N 440.500 2.984 0 40 IFAB COc1ccc(C(=O)COC(=O)c2cnc(NS(=O)(=O)c3ccc(C)cc3)nc2)cc1 33660035 QUSGJVJOLMYDLC-UHFFFAOYSA-N 441.465 2.634 0 40 IFAB COc1ccc(CNC(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)cc1 57511170 XJTNSRRMFWOFBH-UHFFFAOYSA-N 435.505 2.768 0 40 IFAB CC(=O)NC1(c2noc(CCC(=O)N3CC(=O)Nc4ccccc43)n2)CCCCCC1 60059804 IDTPYBRHTGUDBP-UHFFFAOYSA-N 425.489 2.673 0 40 IFAB C[C@H]1C[C@@H](C)C[C@@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1=O 61895117 BCMABKOQTPATAU-HCCHORAYSA-N 427.497 2.865 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2OC)CC1)CC3 61992918 GERRVWUYWJSWEF-UHFFFAOYSA-N 434.540 2.892 0 40 IFAB biogenic O=C(CSc1n[nH]c(=O)n1C[C@@H]1CCCO1)N[C@H](Cc1ccccc1)c1ccccc1 69808692 CQQXUXKAPAMMCF-VQTJNVASSA-N 438.553 2.943 0 40 IFAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 71001623 OVPOTQOAVKDQPL-UHFFFAOYSA-N 426.864 2.569 0 40 IFAB c1ccc(CN2CCc3c(nc(N4CCOCC4)nc3N3CCN4CCCC[C@@H]4C3)C2)cc1 72335713 LHYIZWNTNSDNFE-JOCHJYFZSA-N 448.615 2.546 0 40 IFAB Cc1cc(-c2cc(=O)n(CC(=O)NCCN3CCC(C)CC3)nc2-c2cccs2)on1 72337284 NNTOIRSHLWIMLT-UHFFFAOYSA-N 441.557 2.783 0 40 IFAB CC(C)OC(=O)Cn1nc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2c1=O 72339924 SNLBLQZGHKIMOT-UHFFFAOYSA-N 425.395 2.850 0 40 IFAB CNC(=O)c1cccc(CCNc2cc(NCCc3cccc(C(=O)NC)c3)ncn2)c1 95972546 RWXJFOWOFPPIDJ-UHFFFAOYSA-N 432.528 2.505 0 40 IFAB COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1 100455065 SRECDMCLFAYYPY-ROUUACIJSA-N 440.500 2.659 0 40 IFAB CC(=O)O[C@@H]1CC[C@@]23[C@@H](O)O[C@@]4(CC[C@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119177485 XLUGVKZDVVAUBL-YEHOANFPSA-N 446.540 2.626 0 40 IFAB CC[C@H](C(=O)NCc1ccc(OC)c(OC)c1OC)N(c1ccccc1)S(C)(=O)=O 219079188 ZWRBBNVMPPPGPQ-QGZVFWFLSA-N 436.530 2.573 0 40 IFAB CC[C@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220740400 MGYZWEBBDSZXDH-QGZVFWFLSA-N 430.954 2.605 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCOc2cccc3ccccc23)Oc2ccccc21 223542445 SCXQIZGOEAPEIJ-QFIPXVFZSA-N 440.521 2.952 0 40 IFAB Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1C 225006140 UHZPHUZOWHXHDT-ZDUSSCGKSA-N 426.564 2.885 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCOc2ccc(Cl)cc2)s1)c1ccccc1 225113653 PHPCGSBYLGZOSJ-UHFFFAOYSA-N 438.918 2.801 0 40 IFAB CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(C)ccc1C 225932863 PKYKDOCURSSJNK-UHFFFAOYSA-N 434.558 2.690 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2ccccc2Cl)CC1 253395950 CUHDHUYXQOBWQG-MDZDMXLPSA-N 436.965 2.627 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(Cl)c1 408635620 FZFAXRPGMCJXBY-UHFFFAOYSA-N 426.922 2.899 0 40 IFAB CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)O 408983354 BFNWMPWGLRJVTO-HXUWFJFHSA-N 441.509 2.980 0 40 IFAB CCOc1ccc([C@H]2CCCN2C(=O)Cn2cnc3c(nnn3-c3ccccc3)c2=O)cc1 520519361 OWTHEXVMQAQLRN-HXUWFJFHSA-N 444.495 2.740 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CC2(Cn3cccc3)CCCCC2)CC1 524732805 OUURRFXDBJCQBT-UHFFFAOYSA-N 447.605 2.702 0 40 IFAB CSCC[C@@H](C(=O)Nc1n[nH]c(-c2ccccc2)n1)n1c(O)nc2ccccc2c1=O 524734297 RAMGMMNEIZVHSQ-INIZCTEOSA-N 436.497 2.820 0 40 IFAB O=C(CCNC(=O)c1cc(F)ccc1Br)NCCc1cccc(C(=O)O)c1 538575172 PSXFBMVIYUAZIW-UHFFFAOYSA-N 437.265 2.765 0 40 IFAB Cc1ccc(CN2C(=O)CC[C@@H]2c2nc(-c3cccc([C@@]4(C)NC(=O)NC4=O)c3)no2)cc1 570725995 YLOQFYWXEOQUPP-HOYKHHGWSA-N 445.479 2.963 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)cc1 604404932 JMLOHJSGZYOFKZ-HSZRJFAPSA-N 440.459 2.800 0 40 IFAB biogenic O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 1638315570 DHXMZPWJBQZGHU-WMLDXEAASA-N 435.377 2.655 0 40 IFAB Cn1ccc2cc(C(=O)N3CC[C@@]4(CCc5nnc(C(=O)NCC6CC6)n5CC4)C3)ccc21 2055793485 JHZOBTNUTCSCLM-RUZDIDTESA-N 446.555 2.778 0 40 IFAB CCn1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1C 655717 XNNLMCNLQLCBIL-UHFFFAOYSA-N 428.518 2.980 0 40 IFAB CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@H](C)C3)s1 4115486 GPRJQOQOYLDMRI-MRVPVSSYSA-N 429.618 2.994 0 40 IFAB C[C@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1nc(N)nc(N(C)C)n1 8724610 LPXUMDMGHPMZAC-LBPRGKRZSA-N 431.497 2.633 0 40 IFAB COc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 8920032 SSQZNABFZGCEBZ-DJJJIMSYSA-N 449.481 2.728 0 40 IFAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C 9243235 MEFIVAWJOZPQKT-UHFFFAOYSA-N 431.496 2.722 0 40 IFAB O=C(CSc1nc2nccnc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccccc1 9405324 IOFVMOMPIQRBNG-UHFFFAOYSA-N 447.476 2.694 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCn3ccnc3)c2)cc1 9468568 YJSPIHRIJZYDAV-UHFFFAOYSA-N 428.514 2.903 0 40 IFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C 9499165 UKQDECMYRCCWEW-OAHLLOKOSA-N 446.463 2.510 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cccc(N4CCCC4=O)c3)C2=O)cc1 9585173 MUTMTSCYANWURG-VWLOTQADSA-N 449.507 2.948 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(Br)o1 9883997 IUMBQDBFRJOSCW-UHFFFAOYSA-N 429.654 2.949 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 10441411 SQOKJSCSHFDCMZ-UHFFFAOYSA-N 448.781 2.963 0 40 IFAB COCCCNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11121059 SCHBQSBXJUOMTC-UHFFFAOYSA-N 439.331 2.778 0 40 IFAB Cc1cc(C)cc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 11758419 ZUWJCNINSQFUMF-GOSISDBHSA-N 448.566 2.511 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCCC1=CCCCC1 12086601 VKIRHDOQKKUQCP-DEOSSOPVSA-N 425.529 2.567 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4nn(CC)c(=O)c5ccccc45)C3)cc2n1 12134662 MKWFCNFYPPEJCX-OAHLLOKOSA-N 446.511 2.747 0 40 IFAB COc1cc(OC)cc(C(=O)Nc2ccccc2S(=O)(=O)N2CCC[C@@H]2OC(C)=O)c1 12364513 XQUDPNNCEUPWIL-FQEVSTJZSA-N 448.497 2.630 0 40 IFAB biogenic,in-vitro COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)C(=O)NC1CCCC1)c1ccc(C)cc1 12640957 AFDKGVXHPGBABM-JOCHJYFZSA-N 437.540 2.891 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 12661735 LJFFVCJOZDSDQX-YCRPNKLZSA-N 426.425 2.511 0 40 IFAB biogenic Cc1ccc(NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1S(=O)(=O)N(C)C 12682061 FKYCSGCVZHPHFR-UHFFFAOYSA-N 442.541 2.683 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 12754003 OQILREOYCWEVLK-OAQYLSRUSA-N 427.551 2.982 0 40 IFAB CCN(Cc1cccs1)C(=O)CN1CCC(NS(=O)(=O)c2cccs2)CC1 12783481 OESXQLZUQZYQCT-UHFFFAOYSA-N 427.617 2.601 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 12848519 HDGGQBFOSUGWJG-UHFFFAOYSA-N 440.905 2.817 0 40 IFAB CCCCn1c(SCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)n[nH]c1=O 12889128 ZGFTUTOFYNMHBJ-UHFFFAOYSA-N 446.573 2.863 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 13040265 RKGGJJNUJNVRFA-UHFFFAOYSA-N 426.542 2.553 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1 13040717 DYPKFMRHPKHXEX-QGZVFWFLSA-N 429.542 2.531 0 40 IFAB CC1=CN2C(=NC(=O)C[C@]2(C)C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)C=C1 13083007 RDLLMKCOVQMCLA-RUZDIDTESA-N 434.540 2.937 0 40 IFAB COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1F 13942718 WJXGYLTYBGAXIB-UHFFFAOYSA-N 449.870 2.552 0 40 IFAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 14388677 YRUIWBWLSKKIPD-CQSZACIVSA-N 438.933 2.861 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15956611 HZUZNQSIBXXFOD-FXKZBUDASA-N 427.570 2.720 0 40 IFAB biogenic O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 16063444 JFTRDTFBZGZGKT-HNNXBMFYSA-N 438.908 2.563 0 40 IFAB COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cn1 17296651 SIGGDGSESMUGCS-UHFFFAOYSA-N 433.511 2.994 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 18164023 LETHFPKVHTZPFC-LWYYNNOASA-N 435.867 2.946 0 40 IFAB O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19370770 LDGROULUFJZLTB-JOCHJYFZSA-N 436.556 2.603 0 40 IFAB CCn1cc([C@@H](O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21 19524773 ZMHZMNZFSVWEQE-QHCPKHFHSA-N 443.569 2.710 0 40 IFAB COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 19897804 BBYJMJUPIVNOLJ-NRFANRHFSA-N 438.455 2.818 0 40 IFAB O=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(Br)cc1 21633353 AHIZNBLJFWIHPD-UHFFFAOYSA-N 426.288 2.544 0 40 IFAB COc1cc2nc(CN3CCN(Cc4cccc(Cl)c4)CC3)[nH]c(=O)c2cc1OC 22912658 WYHBKTWCRZJANQ-UHFFFAOYSA-N 428.920 2.912 0 40 IFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 23818663 OPWAMFWXLNMBFD-UHFFFAOYSA-N 430.448 2.896 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 28668531 GUDDALKIVWRFRE-GOSISDBHSA-N 441.557 2.820 0 40 IFAB CN(Cc1nccn1C(F)F)C(=O)CCn1cnc2ccc(Br)cc2c1=O 29183302 MOKWDXZKOQUNRV-UHFFFAOYSA-N 440.248 2.799 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)cc1 36385120 ORDDIFWLMWNEDG-LJQANCHMSA-N 429.586 2.650 0 40 IFAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@@H]1C=CS(=O)(=O)C1 40005087 VICZMBUBBGRWNI-AWEZNQCLSA-N 430.482 2.843 0 40 IFAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 40390503 QAUQKLLMAGBFJF-HOCLYGCPSA-N 425.489 2.612 0 40 IFAB COc1ccc(C)cc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O 40478010 NACISLIXTPDRPC-UHFFFAOYSA-N 438.875 2.645 0 40 IFAB O=C(Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O)NC1CCCC1 49006648 MGPPFCOQDPUJDE-UHFFFAOYSA-N 438.875 2.925 0 40 IFAB COc1ccc(C(=O)N2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)cc1Cn1nc(C)cc1C 72336088 JUAOFFHYABRPJX-NQIIRXRSSA-N 447.539 2.751 0 40 IFAB COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3C(=O)CNC(C)=O)nc21 72372939 XBXHDTFMEIKMJE-HXUWFJFHSA-N 437.544 2.546 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]3C)CC2)c1 89672723 CNXCVJQZDWAQGF-VQTJNVASSA-N 430.593 2.879 0 40 IFAB O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124168 DMIDSALKMXBXQZ-UHFFFAOYSA-N 446.284 2.814 0 40 IFAB O=C(c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)N1CCN(C(=O)c2ccco2)CC1 100200102 JBNAIMHITWLFDJ-RTBURBONSA-N 435.480 2.557 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5Cl)no4)[C@H]3C2=O)cc1 101274923 NZWAOJFJYZVOCL-DLBZAZTESA-N 438.831 2.892 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)cc1Cl 103507462 UPWHPEORGVZSOG-HRCADAONSA-N 441.915 2.509 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 165680626 SAGOKZYJRUTVKU-WPCMGHOJSA-N 426.513 2.786 0 40 IFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1c1ccccc1F)[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@@H]31 217580100 ZAOKSCPLTUYESP-HGBPROFESA-N 434.398 2.692 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1cccc(C)c1C 223968298 GQYUOUAQMXPBDU-UHFFFAOYSA-N 434.558 2.690 0 40 IFAB O=C(NCCOc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 224373082 ROCUCLKPBHLTKP-AWEZNQCLSA-N 428.963 2.997 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@@H](Cc2cccc3cnccc23)C1 257234453 GTOQMSOWTRIUKB-IBGZPJMESA-N 432.524 2.798 0 40 IFAB O=C(c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)CCc2ccncc2)C1)N1CCCCCC1 257242740 IDXZVWKNKITKIH-LJQANCHMSA-N 445.589 2.573 0 40 IFAB O=C(C[C@H]1CN(C(=O)CCCn2cncn2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 257315500 VBRSYUPJTIUGOM-UNMCSNQZSA-N 439.560 2.757 0 40 IFAB Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)cc1 306126505 DXZPURSMFUJNNV-FQEVSTJZSA-N 441.597 2.987 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4cccc(C)c4)C[C@H]2C3)cc1 306129290 HZVQACIDIBIEPH-QZTJIDSGSA-N 431.496 2.792 0 40 IFAB O=c1c(=O)n2c(nn1Cc1cccs1)[C@@]1(CCN(Cc3cccc(Cl)c3)C1)CC2 306140372 URJYPAPSZPUWLX-NRFANRHFSA-N 428.945 2.716 0 40 IFAB CN1c2ccccc2N(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)S1(=O)=O 390832145 XQDLSKJHHLGGNR-UHFFFAOYSA-N 441.962 2.694 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408659924 KIBCVLOZIGGZQO-BMEPFDOTSA-N 438.402 2.608 0 40 IFAB CC(C)(NC(=O)c1ccccc1)C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@]2(CCCC(=O)N2)C1 585261816 QHAPGOICRRHHPK-NBGIEHNGSA-N 437.515 2.999 0 40 IFAB O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F 653379 ZKCBGVCZJLZTNQ-AWEZNQCLSA-N 439.163 2.708 0 40 IFAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 3413311 VGTVAJHVLOLDTC-UHFFFAOYSA-N 431.558 2.518 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C 3557051 AIHIVTGBTJWUPC-NRFANRHFSA-N 444.553 2.593 0 40 IFAB CCCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C(=O)OC)=C(N)O2 8670823 HGLIYONCBSFZTF-VWLOTQADSA-N 444.491 2.931 0 40 IFAB COc1cccc(CN(C)CC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 8718348 RHMKNCKGVVYVDB-UHFFFAOYSA-N 434.334 2.953 0 40 IFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1=O 8825468 MCSJQXBWPLBRQI-KRWDZBQOSA-N 449.507 2.909 0 40 IFAB CNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 9350688 JRCCAXMDRZQAPB-UHFFFAOYSA-N 435.546 2.620 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2C)no1 9390325 XMLXYPADEUZFLF-UHFFFAOYSA-N 434.452 2.986 0 40 IFAB Cc1nc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c2c(C)c(C)sc2n1 9415407 KVQYBEAMBROESE-UHFFFAOYSA-N 433.559 2.995 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)CCC5CCCC5)CC4)ncnc32)cc1 9850069 VSGMABOWYSPAPJ-UHFFFAOYSA-N 435.532 2.838 0 40 IFAB CCn1ncc(S(=O)(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1C 12257851 MWISLGOBQZOJCE-ZDUSSCGKSA-N 442.467 2.760 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 12525296 CLLRCOYOLBPFFJ-AWEZNQCLSA-N 435.509 2.785 0 40 IFAB C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(-n2cncn2)cc1 12870909 LFRUQEINHWUUJK-ZDUSSCGKSA-N 433.921 2.662 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12906992 UGTIMIUYMHQNIP-OAHLLOKOSA-N 449.523 2.787 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1CC(F)(F)F 13076237 VNHZAVXFQQZYPJ-KKUMJFAQSA-N 442.434 2.957 0 40 IFAB CC1CCN(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 13670064 XUJUPPYDVITQAE-UHFFFAOYSA-N 435.512 2.710 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(O)c3)cs2)cc1 13731377 ZUGWZEWKPCLOHD-UHFFFAOYSA-N 446.510 2.789 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 13856713 QNUSAGNLXDJSIA-CQSZACIVSA-N 435.263 2.913 0 40 IFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 14909989 UWDFKEBBWNRLSI-HNNXBMFYSA-N 430.498 2.548 0 40 IFAB COc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 15385373 VXGIIYHGYMCIHA-UHFFFAOYSA-N 436.505 2.526 0 40 IFAB COc1ccc([C@H](C)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1Br 16694949 ODBPIYFHLGHUEL-LBPRGKRZSA-N 445.317 2.504 0 40 IFAB O=C(CN1CCC[C@@H](c2csnn2)C1)N1CCc2n[nH]c(-c3ccccc3F)c2C1 19368298 YXXCFBMLZDUDKE-CQSZACIVSA-N 426.521 2.832 0 40 IFAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400146 PGSPKYJMAHEJBV-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3)cc2N1 19451328 XHFPQTXVKJHYOC-ORIJERBGSA-N 448.511 2.577 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 19522989 GAGUPGUVPVDSQT-QFIPXVFZSA-N 448.502 2.686 0 40 IFAB CC(C)CN(Cn1nc(N2CCCCC2)n(C2CC2)c1=S)[C@H]1CCS(=O)(=O)C1 22842042 LSOVTLNBXBNACB-KRWDZBQOSA-N 427.640 2.842 0 40 IFAB COc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)ccc1OC(F)F 25060174 OZRDOYQPQLETNO-UHFFFAOYSA-N 443.454 2.780 0 40 IFAB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 31002475 UQMCXPNNQUTEEG-KRWDZBQOSA-N 437.452 2.927 0 40 IFAB CCCCn1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)ccc1=O 31005542 WETJHVPEQGPXNQ-UHFFFAOYSA-N 425.485 2.550 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 36398834 MCQPKOPPHLQIDX-ZNMIVQPWSA-N 434.027 2.601 0 40 IFAB CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CC1 40005469 URQKJALTZFEWNR-UHFFFAOYSA-N 438.347 2.638 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 40390395 GHGHXLOTDDQLCQ-KBPBESRZSA-N 425.489 2.530 0 40 IFAB COc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(OC)c1OC 44948869 OJDTULLLOPEMCM-UHFFFAOYSA-N 434.514 2.626 0 40 IFAB NC(=O)COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)cc1 61720710 HZQPKONHNWTVKU-MRXNPFEDSA-N 441.390 2.792 0 40 IFAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)NC2CCCCC2)c1=O 67205343 TUMNJECAHUFCPI-UHFFFAOYSA-N 427.526 2.731 0 40 IFAB CC(C)c1ccc(CN2CCC(c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)CC2)cc1 72399023 AKQHHDHEFHDFLP-UHFFFAOYSA-N 444.601 2.591 0 40 IFAB O=C(Nc1cccc(OCCn2cncn2)c1)c1cc(N2CCNC2=O)ccc1Cl 78878108 OEEQMKXCPNYBDV-UHFFFAOYSA-N 426.864 2.792 0 40 IFAB NS(=O)(=O)Cc1cccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccs2)c1 79072168 VLTVUPPXXFXGQQ-IBGZPJMESA-N 430.551 2.913 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)CC2=O)cc1 79481489 PFLYHAMVMOROLT-INIZCTEOSA-N 446.463 2.973 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 96025877 GSXYGRMEPOVSMG-UHFFFAOYSA-N 430.530 2.614 0 40 IFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(C)n1 97465016 WLMNRVWKDSRQSO-UHFFFAOYSA-N 438.347 2.608 0 40 IFAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(C)ccc21 101041717 NJHDOAOCFJKRPB-MRCUWXFGSA-N 432.523 2.719 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c(OC)c1 138836763 XWCDQGZQHCNGLJ-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)ccc1OC 223598633 QWBULKKSLOYWQK-UHFFFAOYSA-N 444.513 2.624 0 40 IFAB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953843 KNZVFYXGWMFYDC-UHFFFAOYSA-N 429.878 2.734 0 40 IFAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(Cl)cc1)S(C)(=O)=O 225262360 UYTMBLQCBHLDPB-IAGOWNOFSA-N 438.933 2.841 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225503982 XAFILMFNSWWJPT-ZWKOTPCHSA-N 432.542 2.680 0 40 IFAB COc1c(CN2CCO[C@@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c(C)nn1C 257240018 HRSORPOLQZWPLS-JOCHJYFZSA-N 443.523 2.805 0 40 IFAB COc1ccc(S(=O)(=O)NC(=O)c2cnc(N(C)CCc3ccccc3)nc2C)cc1 257304927 SNRLVLOHOYBUAL-UHFFFAOYSA-N 440.525 2.591 0 40 IFAB CCN1CCN(C(=O)c2cc(C)nc(N)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257336850 YQGUXHUPOXAJJC-HXUWFJFHSA-N 444.539 2.592 0 40 IFAB COc1cccc(N([C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c1 260888395 MWPQJDUDLSWLDW-GOSISDBHSA-N 445.585 2.762 0 40 IFAB COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 306133233 MGBCMGLUDXOWNN-RSXGOPAZSA-N 444.535 2.882 0 40 IFAB COC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)sc2c1CCC2 408620648 QALKRZUHFAJXTR-UHFFFAOYSA-N 426.491 2.567 0 40 IFAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 408695154 RAEHPSQJOWQCSA-GOSISDBHSA-N 434.514 2.512 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c1C 409357491 IMZLSCSJEZTBEN-ZDLGFXPLSA-N 439.493 2.843 0 40 IFAB CC(C)c1ccc(-n2cc(O)c(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)n2)cc1 524987580 NLUKIRAQAOQUSK-QFIPXVFZSA-N 430.574 2.639 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@@H]3c3nnc([C@H]4CCCO4)o3)ccc21 553881765 BGJDFHIEBDQLAD-HZPDHXFCSA-N 448.501 2.765 0 40 IFAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 575618633 AITADXVVOJEXQA-IBGZPJMESA-N 434.496 2.917 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NC3CCN(C(=O)c4ccncc4)CC3)C2)c1 613871212 RYMWXGVUYPRWEN-NRFANRHFSA-N 448.567 2.972 0 40 IFAB C[C@H](Sc1nc(CC(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)cs1)C(N)=O 1167332333 FCKSWZLEYBZHPZ-DYZYQPBXSA-N 447.504 2.694 0 40 IFAB O=C(c1ccccc1)N1CCC(c2nc(=O)c3nnn(Cc4cccc(F)c4)c3[nH]2)CC1 1355282 HSAMIJGNJGWPRY-UHFFFAOYSA-N 432.459 2.722 0 40 IFAB COc1ccc(C(=O)OCc2ccc(-n3cccn3)cc2)cc1S(=O)(=O)NC1CC1 8704380 UGLODZIHXNXIFM-UHFFFAOYSA-N 427.482 2.679 0 40 IFAB COc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C 9108631 GHJMFQYPGDSNKU-UHFFFAOYSA-N 433.443 2.799 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 9306676 OLRNAFPWVCOWQE-MRXNPFEDSA-N 431.514 2.693 0 40 IFAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc(N2CCCC2=O)cc1 9376691 PDWUZKRKIOIEHI-UHFFFAOYSA-N 433.512 2.732 0 40 IFAB Cc1csc2nc(COC(=O)[C@H](NC(=O)c3c(F)cccc3F)C(C)C)cc(=O)n12 9690677 KVQJNGKQYYVTFA-QGZVFWFLSA-N 435.452 2.840 0 40 IFAB O=C(CN1C(=O)CCOc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9779098 HDJPFYJCPWLPJC-UHFFFAOYSA-N 443.525 2.615 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)sc2c1CCC2 9789045 QVLNGGWXYAZRJH-VIFPVBQESA-N 439.588 2.509 0 40 IFAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1 9914653 HSGKSBMAXKEZSM-UHFFFAOYSA-N 434.525 2.968 0 40 IFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1ncc(-c2ccccc2)o1 10022002 XUWKKJDXKLYDIY-UHFFFAOYSA-N 425.466 2.904 0 40 IFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 11615700 UAWMXQAZFSTNAM-UHFFFAOYSA-N 444.513 2.642 0 40 IFAB CC1CCN(c2nnc(S[C@H](C)C(=O)NC(=O)NC(C)C)n2Cc2ccco2)CC1 11780407 CDGUWOYPXANRRP-OAHLLOKOSA-N 434.566 2.871 0 40 IFAB COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1OC 11859153 PWOBWFHKKKSBMV-GRDNDAEWSA-N 430.404 2.869 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3cccs3)CC1)O2 12086658 VSNVQCORJCUTMY-QMHKHESXSA-N 441.553 2.635 0 40 IFAB O=C(CN1CCC(n2c(=O)oc3ccccc32)CC1)N1CCN(c2ccccc2F)CC1 12143878 HQVBHFXORVXBRF-UHFFFAOYSA-N 438.503 2.719 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1OCC 12876697 KVSZQISSSRTWJA-MWTRTKDXSA-N 431.533 2.643 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12904778 FRCZKVYGJUCCNW-HNNXBMFYSA-N 448.570 2.976 0 40 IFAB COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)cc1OC 14196734 PUYBFVLYMUNEAZ-GOSISDBHSA-N 443.569 2.714 0 40 IFAB COc1cccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)c1 16960504 HLKDICSJYNAEHH-UHFFFAOYSA-N 445.527 2.682 0 40 IFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)COc2ccccc2)CC1 17095023 UMBYSSXFLLGPEU-UHFFFAOYSA-N 426.542 2.637 0 40 IFAB CCc1cc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@H](C(N)=O)C4)on3)CC2)cs1 19522111 JWPNBHDMRISAES-HNNXBMFYSA-N 444.557 2.656 0 40 IFAB COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)cn1 19561906 WPBVZJDYBSWDKT-FQEVSTJZSA-N 427.464 2.949 0 40 IFAB CCOc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCCC1 23003751 WMTNNTNOPBZQGG-UHFFFAOYSA-N 441.509 2.964 0 40 IFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccccc1OC(F)(F)F 23402344 PBBMGXFZVGYVCW-UHFFFAOYSA-N 430.448 2.896 0 40 IFAB CCOc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1OC 24986938 ZNASOMHLEZVDEM-GOSISDBHSA-N 428.485 2.626 0 40 IFAB Cc1ccccc1CN1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 29760371 QJCMVXVWOKMZSX-UHFFFAOYSA-N 427.570 2.641 0 40 IFAB CC(=O)O[C@@H]1C[C@]2(C)[C@H](O)CC(C)=C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]2[C@]1(O)C(C)C 31157364 KHLABRVSJLTKHQ-GPZRHZKYSA-N 432.513 2.974 0 40 IFAB biogenic,in-vitro O=C(Nc1ccccc1)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)CC1 32759257 LPIWXLRMABKGIB-KRWDZBQOSA-N 426.542 2.977 0 40 IFAB CC(=O)Nc1ccc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)sc2c1 35312012 CECMNZLSXZJXFG-LBPRGKRZSA-N 432.527 2.869 0 40 IFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 39477071 CTFNHEJCTVHXBD-UHFFFAOYSA-N 446.406 2.757 0 40 IFAB CN(C)C(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 40128714 VRXGULJANMXPBJ-UHFFFAOYSA-N 428.455 2.874 0 40 IFAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc(OC)ccc2C)CC(=O)N3)cc1 40399953 WDQVQUUIVASTTF-MRXNPFEDSA-N 449.467 2.904 0 40 IFAB COc1cc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)ccc1OC(C)C 44905326 YVJIJHRZDWEPAI-NRFANRHFSA-N 448.541 2.634 0 40 IFAB Cc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)c(C(=O)N3CCSCC3)cnc2n1 49004937 JIWHFNWIIFVJRZ-UHFFFAOYSA-N 443.554 2.518 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 57415595 SSJZFFHPNQFWFT-JOCHJYFZSA-N 438.503 2.737 0 40 IFAB Cc1ccc2cc(CN(Cc3cccnc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1 57607157 LHPSBTIPKOSWCK-OAQYLSRUSA-N 445.527 2.599 0 40 IFAB CC1CCN([C@@H](C)CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 58169216 OGHTUPDXLIFVGX-HNNXBMFYSA-N 435.366 2.786 0 40 IFAB C[C@@H](CCN1CCN(C(=O)c2cccs2)CC1)N1CCN(C(=O)c2cccs2)CC1 84637246 PPRQEODLOQWFPL-SFHVURJKSA-N 446.642 2.804 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)sc1Cc1ccccc1 95474082 KXFDULGHLHSQEG-ZDUSSCGKSA-N 449.492 2.825 0 40 IFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3N3CCCN23)cc1 102682542 YDAZWDQJHIXODA-CEXWTWQISA-N 442.313 2.993 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)c1 220186246 QFMRSIUZNFYXTP-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCCOc2cccc3ccccc23)ccc1OC 223542300 HIHUGIPZPVVBNG-UHFFFAOYSA-N 428.510 2.955 0 40 IFAB CN(c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Cl)S(C)(=O)=O 225974312 UMVCCCLBHSSXBW-UHFFFAOYSA-N 425.913 2.837 0 40 IFAB Cc1nc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)Cc2ccccc2)co1 257209682 BRLXWZCXZHSSBQ-LGKPFJOYSA-N 439.487 2.933 0 40 IFAB C[C@H](Oc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1)C(=O)N1CCOCC1 408598409 ZXHHGSPHYLWDNL-MOPGFXCFSA-N 446.569 2.612 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@H]2c2ccccc2)cc1 409061597 YCHOHOWMNGWGOF-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccccc3Br)CC2)c1=O 575607091 USWYGKHVKBMUTR-UHFFFAOYSA-N 433.228 2.840 0 40 IFAB Cc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)N2C 575612490 MSVOURQUZORGSR-AWEZNQCLSA-N 438.550 2.711 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c(C)c1 1289194 NSOKKAFQUSVQNR-QGZVFWFLSA-N 436.464 2.874 0 40 IFAB O=C(CCCCC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1 1668426 MGADZHQOTSBJLG-UHFFFAOYSA-N 432.528 2.524 0 40 IFAB CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1)c1cccc2ccccc12 3318200 NJXDBNMMQQUCAC-UHFFFAOYSA-N 426.494 2.958 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c1 3439985 UYIQRICIYSEGNZ-UHFFFAOYSA-N 441.303 2.723 0 40 IFAB CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)C1=O 3450591 NJPGVZCEAQOEOT-UHFFFAOYSA-N 427.482 2.650 0 40 IFAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)Nc1ccc2c(c1)OCO2 3528873 HVFOPMJJTDATGX-UHFFFAOYSA-N 435.436 2.647 0 40 IFAB CCCCn1c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2c1ncn2CCC(C)C 7212889 OIBCSXZHPQHEKO-QZTJIDSGSA-N 431.581 2.901 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nnc2ccccn12 9578604 ZZCFSCJWPIEGHK-MRXNPFEDSA-N 447.520 2.972 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1C 9643398 HPIOKCSPPMJYHB-SJLPKXTDSA-N 440.496 2.624 0 40 IFAB NC(=O)c1c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)sc2c1CCCC2 9741009 IRIWMKLSKGGXGA-INIZCTEOSA-N 447.582 2.908 0 40 IFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(S(=O)(=O)CC)C1 12156714 NRFPUAWEXXZEHZ-PXNSSMCTSA-N 426.510 2.704 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)ccc1N1CCCC1=O 12508007 YJFMQUVGMGGRKP-UHFFFAOYSA-N 443.525 2.922 0 40 IFAB O=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 12537189 UXCQNHWAPQVNFA-UHFFFAOYSA-N 431.464 2.902 0 40 IFAB O=C(c1ccc(F)cc1)[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1ccccc1=O 12630335 MGVIXAYLJZODOV-QHCPKHFHSA-N 433.483 2.756 0 40 IFAB COCCNC(=O)[C@H](c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 13508509 LLUBKJFUUVPHCX-QHCPKHFHSA-N 447.495 2.557 0 40 IFAB COc1cccc(NC(=O)CNC(=O)c2cc3cc(OC)c(OC)c(OC)c3n2C)c1 13691399 GPLWGWFJABSQRM-UHFFFAOYSA-N 427.457 2.581 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1 14118891 FZTMWUOGYBSFRB-UHFFFAOYSA-N 443.569 2.937 0 40 IFAB Cc1c(C)n(C(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc12 17098449 OAIPJTXWONLLBK-HSZRJFAPSA-N 433.508 2.883 0 40 IFAB CCc1cc2c(=O)n(NC(=O)c3nn(-c4ccccc4Cl)c(C)cc3=O)cnc2s1 17245300 KCYAVUUDIXEDSU-UHFFFAOYSA-N 441.900 2.912 0 40 IFAB COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4cc(NC(C)=O)ccc43)CC2)cc1 19022726 MKGILUCVAZWVFE-UHFFFAOYSA-N 436.512 2.600 0 40 IFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499393 LGBABQGTFJLYRI-KXBFYZLASA-N 428.508 2.873 0 40 IFAB Cc1nn(CCC(=O)N2CCC[C@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(C)c1C 19557081 NGFMHEDUQXPQJO-FQEVSTJZSA-N 438.507 2.979 0 40 IFAB Cc1cccc(CC(=O)N2CCC(c3nc([C@@H]4CC(=O)N(C)C4)cc(N(C)C)n3)CC2)c1 19697504 LRUXTJRUVUJKMV-HXUWFJFHSA-N 435.572 2.745 0 40 IFAB CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)Cc1cccc(C)c1)CC2 19711382 QXYCWRDDNFOPLX-UHFFFAOYSA-N 429.590 2.524 0 40 IFAB COCCNC(=O)CN1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19740450 BOVFVNBSRFNNQG-HXUWFJFHSA-N 443.592 2.544 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)NCc1ccc(F)cc1 19755099 AZAJKSWOIYOZLP-FQEVSTJZSA-N 449.486 2.530 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3nccc4ccccc34)C2)ncc1C(=O)N1CCOCC1 19764149 QTWGPUPAPLQDKF-IBGZPJMESA-N 445.523 2.825 0 40 IFAB Cc1ccc(CSCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 22535290 CHRBMSFKYSLRIR-UHFFFAOYSA-N 439.578 2.797 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 24834464 YVTJHVVDIBKJHW-INIZCTEOSA-N 445.541 2.717 0 40 IFAB CCOc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1OC 26092285 IDFABMLMJCOPAX-GOSISDBHSA-N 448.541 2.574 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1 27526557 CYTBHVJOZUKGHN-UHFFFAOYSA-N 447.542 2.751 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCc1ccccn1 30613242 NHXBDHZNEZXATK-INIZCTEOSA-N 427.320 2.890 0 40 IFAB CCc1ccc([C@@H](CNC(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)N(C)C)cc1 32734921 VHTMCXBOQWZGPO-MRXNPFEDSA-N 448.449 2.982 0 40 IFAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)cc1 35590067 YBMNVVAUHJLKEX-UHFFFAOYSA-N 436.490 2.857 0 40 IFAB COc1cc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 36579878 XODUPHRYWBRZQL-MRXNPFEDSA-N 427.457 2.756 0 40 IFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 36615004 JGSRGPWMLMZELB-UHFFFAOYSA-N 432.880 2.695 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 58440021 CHIONCOKANGNTQ-AWEZNQCLSA-N 448.445 2.691 0 40 IFAB O=C(Oc1cccnc1Br)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 71824324 OXTWXYVZIPUECI-ZDUSSCGKSA-N 429.267 2.742 0 40 IFAB O=C(c1cccnc1)N1CCc2nc(C3CCN(C(=O)C4CCCCC4)CC3)[nH]c(=O)c2C1 72398915 LNHLOGIHRIKGNQ-UHFFFAOYSA-N 449.555 2.650 0 40 IFAB CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 78680171 CQJIGPOAHHTBDW-YADHBBJMSA-N 428.621 2.545 0 40 IFAB CCCCn1c(=O)c2sccc2n2c(=O)n(CC(=O)c3ccc(OC)c(OC)c3)nc12 85641249 VEAXSLHRJCWUCP-UHFFFAOYSA-N 442.497 2.573 0 40 IFAB CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)c1 89269932 OXKXYFRLOJPYHM-LJQANCHMSA-N 437.543 2.568 0 40 IFAB COc1ccc([C@H]2[C@@H](C(=O)NCCc3cnc[nH]3)c3ccccc3C(=O)N2C)cc1OC 95478926 NYPGTDDIHZHTMF-VXKWHMMOSA-N 434.496 2.696 0 40 IFAB Cc1ccccc1CCC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 96263074 SRMCKEABJKFDEU-OAQYLSRUSA-N 438.572 2.813 0 40 IFAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)OC 96385272 VAGMXVZWSGQYGD-FQEVSTJZSA-N 425.485 2.655 0 40 IFAB O=C(CNC(=O)c1ccccc1F)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 96855724 MVIZIUPUKFDKQX-GZTJUZNOSA-N 445.447 2.547 0 40 IFAB O=C(CNC(=O)c1ccc(F)cc1F)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 97996775 FERQWGCXQFBFMR-LICLKQGHSA-N 445.447 2.547 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)n1 100457227 UTWVZMVBPOEJKA-ROUUACIJSA-N 447.532 2.841 0 40 IFAB CCOCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(F)ccc21 100873504 WZSVNBDQQBYAHJ-LNVKXUELSA-N 427.457 2.602 0 40 IFAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1 113307653 PMRLJSGWFLCNEF-KGLIPLIRSA-N 428.279 2.545 0 40 IFAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 220257372 XDOBNRDTCIEDDP-NSHDSACASA-N 437.345 2.560 0 40 IFAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1 222573882 QRHIAEWOMNAYEF-MRXNPFEDSA-N 448.541 2.776 0 40 IFAB COc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224009643 QMMQBFUPEDEPLF-CQSZACIVSA-N 426.922 2.698 0 40 IFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)c(C)c1 224606724 GRWQNCKWMLLHBJ-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOc4ccccc43)CC2)cc1C 226080663 QNBDVJZSTCEJHG-UHFFFAOYSA-N 430.526 2.830 0 40 IFAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c1 245093433 RNGHJQDFWSMBHL-IBGZPJMESA-N 439.537 2.892 0 40 IFAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F 257320678 VXZIJONJKQJREH-LJQANCHMSA-N 434.462 2.576 0 40 IFAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3[C@H](CCCN3C(=O)COCC(=O)O)O[C@H]21 257338842 YZDSHYLPGKNRTA-NWZZKEMCSA-N 433.501 2.795 0 40 IFAB Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 301243564 WHOOMEBALWJJFX-UHFFFAOYSA-N 435.977 2.892 0 40 IFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1C 408602196 IHLWEFJRXIOKRT-UHFFFAOYSA-N 427.320 2.935 0 40 IFAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2F)cc1OC 409120773 TXSDPVKOYQNUEI-UHFFFAOYSA-N 447.282 2.522 0 40 IFAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]2[C@@H]2CCCN21 504771478 OMFCZJCUEDECGI-AIFLQVKLSA-N 431.492 2.689 0 40 IFAB biogenic CN(C)CCOc1cccc(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)c1 585284235 VYQCGKVEWYKDAB-QHCPKHFHSA-N 434.964 2.923 0 40 IFAB CC(C)c1nc(S(=O)(=O)N(C)C2CN(c3ncnc(-c4ccccc4)c3F)C2)cn1C 1775974139 WVPWHMVNIQPQGL-UHFFFAOYSA-N 444.536 2.649 0 40 IFAB CCOC(=O)CN(c1ccccc1)[C@H]1SC(=O)N(Cc2cccc(C(=O)O)c2)C1=O 1018920 BZWUTPPJAMQUPY-IBGZPJMESA-N 428.466 2.976 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)nc(OC)n1 1501903 KHFKYPRKQIDTNZ-MDWZMJQESA-N 440.481 2.947 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 2635530 DCDPGQUQGTTZED-CYBMUJFWSA-N 437.905 2.704 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)nc(C)n1 6156119 SILUVYOYOLFCJQ-SJORKVTESA-N 432.502 2.724 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ccccc2c1=O 6905321 JFYXQFBJQHMBIH-UHFFFAOYSA-N 429.498 2.791 0 40 IFAB COc1ccnc(N2CCN(Cc3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)n1 8705266 YVAVBJWSWCKAAT-UHFFFAOYSA-N 440.554 2.834 0 40 IFAB COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@H](CO)Cc3ccccc3)cn(C3CC3)c12 8992307 ZJEMLBLIRHAGMO-AWEZNQCLSA-N 428.435 2.957 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1c(C)cccc12 9045841 BQDLWEHAVJYOKK-WMPKCAQASA-N 429.904 2.802 0 40 IFAB biogenic CCCN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1 9629847 LXHLGPMWVMNUBN-UHFFFAOYSA-N 449.598 2.726 0 40 IFAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)cc1OC 9739159 QRWLWWKNSBKNOE-UHFFFAOYSA-N 433.468 2.899 0 40 IFAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 9867373 QXJWVNOYHBIIGV-HOYKHHGWSA-N 437.496 2.533 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)C1=O 10166579 ZSYWYQRBTKMJAK-UHFFFAOYSA-N 431.489 2.508 0 40 IFAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O 11858224 XJRWCXGUVRVVDH-NSHDSACASA-N 448.444 2.819 0 40 IFAB Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cn12 12675419 KMQVHJLQZNYPSF-IYBDPMFKSA-N 428.514 2.693 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2ccc3c(c2)OCCO3)cc1 13108286 OUNOWNHWBWMOGU-INIZCTEOSA-N 432.542 2.908 0 40 IFAB O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 13164159 LNRGXTAEGIEREM-INIZCTEOSA-N 426.897 2.866 0 40 IFAB CCSc1nnc([C@H]2CCCN(CC(=O)N3CCN(c4ccccc4)CC3)C2)n1CC 13565186 OXEDCSQECQJCGQ-IBGZPJMESA-N 442.633 2.938 0 40 IFAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1C 13668636 SRMFMOAZGLEBPN-UHFFFAOYSA-N 446.525 2.753 0 40 IFAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN([C@H]2CCS(=O)(=O)C2)CO4)cc1 13688489 REGLNYFGQJTYBC-INIZCTEOSA-N 427.478 2.808 0 40 IFAB biogenic CC[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1cc(C)on1 14241695 RJUJPYYGGXFRQW-SFHVURJKSA-N 449.529 2.653 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c1 14251406 WKGXINIJIRNMLU-HXUWFJFHSA-N 446.301 2.541 0 40 IFAB COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)c(OC)c1 16851181 BZYSLVQJORYLOK-UHFFFAOYSA-N 428.470 2.672 0 40 IFAB CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccncc1C)CC2 19500181 WKZIXGROYAZTEU-FQEVSTJZSA-N 437.544 2.772 0 40 IFAB Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 19693422 PPEXOBBLINSYHP-OAQYLSRUSA-N 446.507 2.920 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N(C)Cc3cccc(Cl)c3)CC2)cc1 22929809 NNKNMBQVLGKFGW-UHFFFAOYSA-N 428.964 2.863 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[C@H]1Oc2ccccc2NC1=O 24091751 HQQQCCSCUPWLDU-LJQANCHMSA-N 434.452 2.761 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1C 32893716 BPCRJUWGRRCENQ-UHFFFAOYSA-N 426.517 2.641 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3ncc(C(N)=O)c3CC)cc2)cc1 32915868 OPQGRGXDOVKVSQ-UHFFFAOYSA-N 442.497 2.511 0 40 IFAB Cc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CN1C(=O)COc2ccccc21 35312438 LDTSKNGUFJTMRO-UHFFFAOYSA-N 433.464 2.663 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)nc(CN1CCOCC1)n2C 36358266 WQTINOYMHOCCMU-JOCHJYFZSA-N 438.484 2.704 0 40 IFAB COC(=O)c1c(NC(=O)C(=O)NC[C@H](C)Cn2ccc(C(F)(F)F)n2)sc(C)c1C 36612472 WHUXMWIABGTJEO-VIFPVBQESA-N 446.451 2.758 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)NCc2cccs2)CC3)cc1 38633663 SPDJIGXGZPJPRO-UHFFFAOYSA-N 435.571 2.779 0 40 IFAB Cc1c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 40092011 ZBUIFJOOAUCWLB-KRWDZBQOSA-N 437.466 2.921 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 40154111 ADJYHLQAZZEDTO-IBGZPJMESA-N 433.530 2.676 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 58108610 YRZOLVNRTJRXNQ-QFIPXVFZSA-N 429.586 2.789 0 40 IFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@@H](C(=O)O)c1ccccc1 61718477 CNUNCEQHGXLPHP-LJQANCHMSA-N 442.269 2.615 0 40 IFAB Cc1cccc(C)c1NC(=O)C[C@@H](CN1CCN(Cc2c(C)noc2C)CC1)C(=O)O 61721218 BNEMCCHSVZDLBF-IBGZPJMESA-N 428.533 2.755 0 40 IFAB CCOc1ccc(CNC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2N)cc1 65154704 NGEIDESTDMFDMM-UHFFFAOYSA-N 432.528 2.714 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)Cn3ncc4c5oc(C)cc5n(C)c4c3=O)c2c1 72335340 UODDNVKYNBXWMY-UHFFFAOYSA-N 433.468 2.638 0 40 IFAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC1 72394979 KWKBUERNTLKUIP-DHIUTWEWSA-N 435.568 2.865 0 40 IFAB COc1cc(OC)c2cc(CCCNC(=O)[C@H]3CSCN3C(=O)C3CCC3)[nH]c2c1 79057521 STGAJHNUDRJDJZ-LJQANCHMSA-N 431.558 2.936 0 40 IFAB CCOc1ccccc1N1C(=O)C(=O)N(Cc2cn(-c3ccc(Cl)cc3)nn2)C1=O 79058357 JCRRWPITAREHSG-UHFFFAOYSA-N 425.832 2.815 0 40 IFAB COCCN1CCC2(CC1)CC1(CCN(C(=O)c3cccc(Cl)c3)CC1)N(C)C2=O 96262346 IUMOKWGMKALKFP-UHFFFAOYSA-N 433.980 2.906 0 40 IFAB CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 100446774 XBGRXJILLRDHNG-FJIDUMEYSA-N 433.457 2.634 0 40 IFAB COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 106213834 COGWKIMLRNQVSL-HEHGZKQESA-N 432.445 2.731 0 40 IFAB CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccccc1F)S(C)(=O)=O 220590001 DXOOVGDEQAPMOV-QGZVFWFLSA-N 438.521 2.746 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O 220614492 RFRHKWVSXAHDEF-NRFANRHFSA-N 431.558 2.589 0 40 IFAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223717994 LDRRJZXOJFWYJH-NDXORKPFSA-N 428.558 2.988 0 40 IFAB CCSc1nnc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)s1 224947905 WBJYYEHNGHHEFN-UHFFFAOYSA-N 436.968 2.717 0 40 IFAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 224988117 BQNWCGGPIOSEDG-UHFFFAOYSA-N 437.949 2.890 0 40 IFAB COC(=O)c1cccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1C 225163904 QWWNIRWKNJMMIX-UHFFFAOYSA-N 434.514 2.612 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(OC)cc1 225442003 DIAGZANHFCHQSV-AWEZNQCLSA-N 435.318 3.000 0 40 IFAB CC(C)n1nccc1NC(=O)CN1CCCC[C@@H]1C1CCN(CC(=O)N2CCCC2)CC1 257234654 GUNQTPXKFBVCML-OAQYLSRUSA-N 444.624 2.591 0 40 IFAB O=C(CCc1cccnc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257289619 PZLIQEYFQZPKAC-DGWZTRNLSA-N 437.584 2.704 0 40 IFAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)Oc2ccccc21 260841293 LVKATRWHXWFDNN-QGZVFWFLSA-N 428.432 2.939 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl 408593449 NRNQAHFRMCUEGY-AWEZNQCLSA-N 426.922 2.979 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)c(OC)c1 409061670 ZLXQZQFJYIRFMT-BOPFTXTBSA-N 442.493 2.860 0 40 IFAB COc1ccc(-c2nc(CNC(=O)c3cnc(O)n(Cc4ccco4)c3=O)cs2)cc1 585152802 JTBOCCSTAYKXRQ-UHFFFAOYSA-N 438.465 2.652 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(C(=O)c1ccccn1)CC2 1549166365 DEKGBDYLBRWYPV-QFIPXVFZSA-N 446.551 2.937 0 40 IFAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)c1 1889184592 LRIQITLNDFIPER-DZGCQCFKSA-N 429.468 2.777 0 40 IFAB COc1ccc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC 856672 OKIJXRJWFMQZJO-QTDGGUCWSA-N 436.501 2.647 0 40 IFAB CCOc1ccccc1NC(=O)CN(c1nccs1)S(=O)(=O)c1ccc(N)cc1 3321747 QNPKRHJKYRNGMX-UHFFFAOYSA-N 432.527 2.958 0 40 IFAB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 3368768 PBZCPARHETWLIX-OAHLLOKOSA-N 441.427 2.833 0 40 IFAB CCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)cc1 4571780 WBBIZZIQWORWJY-OAQYLSRUSA-N 427.501 2.668 0 40 IFAB CC(=O)N[C@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 8765127 QPPZFMUEXZZDBD-VRVGQERDSA-N 435.476 2.923 0 40 IFAB biogenic COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 9416537 QUCBCVVXOOOMEN-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[C@@H](C)C2 9599738 UODMCBVJQMAXGL-GFCCVEGCSA-N 435.571 2.735 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4C)[C@H]3C2=O)cc1Cl 9674919 NZNOGCTUPMFIKR-QZTJIDSGSA-N 427.848 2.589 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 9743857 JENOBIYPRZJOTH-IBGZPJMESA-N 447.532 2.822 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cc1 9762493 OYEHRKPDMHSOMT-UXBLZVDNSA-N 428.510 2.660 0 40 IFAB Nc1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)c1NC(=O)c1ccccc1 12140414 QONXENYXMDHRSB-UHFFFAOYSA-N 429.889 2.989 0 40 IFAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1Oc1ccccc1Cl)c(=O)n2C 12535722 PHDAOIOVIYISFW-UHFFFAOYSA-N 439.859 2.518 0 40 IFAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N(C)C 12789522 PUPGVDNBZGRNTP-KRWDZBQOSA-N 446.525 2.694 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 12927488 ZQAQFTRWVZOYLE-OAQYLSRUSA-N 440.481 2.719 0 40 IFAB CCOc1ccc(CCNC(=O)COC(=O)COc2ccc(C(C)=O)cc2)cc1OCC 12944269 MWUFIJUWGGEMHY-UHFFFAOYSA-N 443.496 2.968 0 40 IFAB COc1ccc(-c2n[nH]c(SCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)n2)cc1 14198502 AXQUNEAXKCOOFU-UHFFFAOYSA-N 433.440 2.606 0 40 IFAB C[C@H](c1nnc(SCC(=O)Nc2ccccc2O)n1C)N1C(=O)COc2ccccc21 15019120 UTZULAKGGPTOAP-CYBMUJFWSA-N 439.497 2.738 0 40 IFAB Cc1ccc(OCCN(C)C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)cc1 19211046 IAWBYMJUJXOBKI-FQEVSTJZSA-N 438.572 2.605 0 40 IFAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCN1C(=O)CCn1ccccc1=O 19239819 VBLHTBQDCPLVQR-HXUWFJFHSA-N 432.528 2.829 0 40 IFAB O=C(c1cccs1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400100 DBVCWNNMEAXXCS-SFHVURJKSA-N 449.536 2.792 0 40 IFAB COc1ccc(OC)c(Cc2ccc([C@H]3CN(C(=O)c4cnc(N)nc4C)CCO3)nc2)c1 19692319 FZQBEQQIJRNDNL-JOCHJYFZSA-N 449.511 2.584 0 40 IFAB Cc1nn(C)cc1CN1CCO[C@H](c2c(C(=O)N(C)CCO)sc3ccccc23)C1 19697678 WRMWSQRDTFJSPV-SFHVURJKSA-N 428.558 2.581 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)CCCc3ccc(F)cc3)cc2)[C@@H](C(N)=O)C1 19698757 NTUATSCKDRREGV-PKTZIBPZSA-N 439.531 2.854 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1c(C(C)C)noc1C)C2 19708802 HEMMNZACVNIZGI-MRXNPFEDSA-N 440.548 2.863 0 40 IFAB CC(C)(CNC(=O)Cn1cccc(C(=O)Nc2nccs2)c1=O)c1cccc(F)c1 19749983 APCLEFHFIQCXNB-UHFFFAOYSA-N 428.489 2.790 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cccc(C)c1 20801474 RTQZSXIMYZPWRP-SFTDATJTSA-N 438.503 2.663 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OCC 22373019 JDRIOJKCSFPKRS-UHFFFAOYSA-N 442.484 2.845 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3C[C@H](C)O[C@H](C)C3)c2)cc1F 22612537 SQXSMLQCZIKLNK-CALCHBBNSA-N 449.548 2.774 0 40 IFAB CCn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1-c1ccco1 23763421 DPUKFAYMGXQQEP-UHFFFAOYSA-N 433.578 2.801 0 40 IFAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1sccc1-n1cccc1 25153644 KWOQQKUKRSBQDY-UHFFFAOYSA-N 435.502 2.951 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCN1C(=O)COc2ccccc21)CC3 25453365 QOJCXMWNLPLQDP-UHFFFAOYSA-N 433.464 2.655 0 40 IFAB CCN(CC)c1ccc(NC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 25664202 HSLNIKUSWXSPSK-UHFFFAOYSA-N 449.555 2.714 0 40 IFAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1=O 25670290 GCHJBJYDMBRUQP-ZDUSSCGKSA-N 435.477 2.506 0 40 IFAB COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)Cc2cccc(C)c2)s1 27664705 HWGLONUMGUTJOS-UHFFFAOYSA-N 433.511 2.847 0 40 IFAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccccc3F)CC2)C1 32760393 ZFPDOZDSBBMRFG-INIZCTEOSA-N 429.517 2.724 0 40 IFAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1cc(Br)ccc1F)CC(=O)N2 33088115 MDBZPOBUSGUORU-GFCCVEGCSA-N 442.252 2.994 0 40 IFAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 36382468 MXDLDUWRLWADJC-PKTZIBPZSA-N 437.540 2.580 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCOCC1 44885954 HZAUCHDHROKZCP-KRWDZBQOSA-N 432.542 2.824 0 40 IFAB CSc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c1 49421703 KGGQPUNPDXGFQJ-UHFFFAOYSA-N 433.486 2.576 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(-n2nnnc2C)c1 58245024 VFIFACXKRUZPDC-UHFFFAOYSA-N 438.307 2.851 0 40 IFAB COc1cc2c(cc1CNC(=O)CSc1nnc(-c3ccco3)n1C)OCCCO2 64987072 ZSMRHASSWFGUQO-UHFFFAOYSA-N 430.486 2.654 0 40 IFAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4nc(C)n5ccccc45)C[C@H]32)c(OCC)n1 72392650 LEJMWLDIQMBZJZ-RGZWJVDOSA-N 437.544 2.960 0 40 IFAB Cc1occc1-c1nnc(S[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)o1 78253973 BNPZORCYUNZBQC-INIZCTEOSA-N 428.518 2.894 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 79062404 SFINNNYNZFFZSP-UHFFFAOYSA-N 438.521 2.665 0 40 IFAB CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC[C@H]1S(C)(=O)=O 83855559 JLCGXPJZLGJICT-DLBZAZTESA-N 449.495 2.971 0 40 IFAB CCN(CC)CCCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 100181688 OPPOWRYJUILWOL-ODNSNXTGSA-N 429.561 2.798 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@H]3C2=O)c1 101277535 BLEYRPWDQPMCOZ-RTBURBONSA-N 432.440 2.855 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccc(C)cc1 223306531 JOBBBORXEIOTHP-SFHVURJKSA-N 446.569 2.835 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3C(N)=O)c2)cc1 224285381 ZWZPZPIQWRMZCA-UHFFFAOYSA-N 439.493 2.872 0 40 IFAB COC(=O)CN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224656419 BEBVTFXTAORTEG-UHFFFAOYSA-N 441.889 2.812 0 40 IFAB COc1ccc2c(c1)[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)CC(C)(C)O2 225278332 CVUAYGSFWQRVOF-CYBMUJFWSA-N 440.547 2.722 0 40 IFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 226057057 CERCIPYZUQCLCZ-UHFFFAOYSA-N 446.916 2.658 0 40 IFAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CCn2ccccc2=O)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257230429 GCHCAPGRYJYFHV-FLFXDLLNSA-N 447.576 2.674 0 40 IFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CC(=O)Nc2nncs2)c1 257232049 GJFPBLFUZLODTK-FIKGOQFSSA-N 429.546 2.750 0 40 IFAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CN(C(=O)CCCN3CCCCCC3)CCO2)n1 257301537 RYWUDAWDZGEFLA-QFIPXVFZSA-N 438.576 2.985 0 40 IFAB COC(C)(C)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 257326212 WWHAOAOHGOFINM-LPHOPBHVSA-N 438.952 2.610 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408598035 ZAWOVTWCUWRTSX-GFCCVEGCSA-N 430.885 2.810 0 40 IFAB Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCC(C)(c4ccccc4)CC3)ccc21 512675445 LJVYTVIRDIZGJV-UHFFFAOYSA-N 435.528 2.571 0 40 IFAB O=C(N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)c1cccn(Cc2ccccc2)c1=O 1633627861 ZGOSSYKXBACMEE-GOSISDBHSA-N 438.850 2.722 0 40 IFAB Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)cc1 2056226317 PDKZJZDGRBRFMR-DHLKQENFSA-N 434.540 2.627 0 40 IFAB O=S(=O)(NC1CCN(c2ncc(C(F)(F)F)cc2Br)CC1)C1CC1 2086864971 XEHFUYSKFBZLQO-UHFFFAOYSA-N 428.274 2.914 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2cc(C)on2)no1 2658932 SRBTVEIKJJKPRY-UHFFFAOYSA-N 430.442 2.806 0 40 IFAB Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C 3253282 GUCZUGHFTACTDK-KZULUSFZSA-N 426.300 2.939 0 40 IFAB Cc1c(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 3435611 BOCSRAHWAKOMHQ-UHFFFAOYSA-N 439.443 2.768 0 40 IFAB COc1ccc(OCc2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)cc1 3556193 QRRRVABAEBLXPL-UHFFFAOYSA-N 440.525 2.806 0 40 IFAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 3595015 FPFHVRKHIZXOBF-FQEVSTJZSA-N 447.278 2.746 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1Cl 6190589 DMQYVVNOKWOEMA-UHFFFAOYSA-N 432.970 2.681 0 40 IFAB COc1ccc2cc(CN(CCCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1 6282765 ICVOXXQVEAPNLM-UHFFFAOYSA-N 436.917 2.763 0 40 IFAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2ccccc2OCC)c(C)c1C(=O)OC 6631548 SZMAOHMVXFNSJL-UHFFFAOYSA-N 434.470 2.996 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C(C)C)s1 9264005 DBUPRYANRJHVSF-UHFFFAOYSA-N 449.537 2.819 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C1 9335315 VMSMRVWPZXGPGV-QZTJIDSGSA-N 444.553 2.826 0 40 IFAB CSC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 9580215 DSWVHOHJQDXEKL-XYJFISCASA-N 432.542 2.692 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Br)s1 9670597 METGFWVVVCWEDW-SECBINFHSA-N 439.378 2.540 0 40 IFAB COCCn1c(=O)c2c(nc3n(-c4ccccc4C)c(-c4ccccc4)cn23)n(C)c1=O 9713210 AABGOKIBSRHDKQ-UHFFFAOYSA-N 429.480 2.760 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1)CC2 9738856 OPVZEJOBHVIOLD-ZRDIBKRKSA-N 430.526 2.521 0 40 IFAB COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 9782713 MSAHBZSAHSLWLT-INIZCTEOSA-N 430.526 2.824 0 40 IFAB COc1ccccc1N1CCN(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 9783179 HJOLHYWIQAKNDT-HXUWFJFHSA-N 437.540 2.952 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc3c(c2)OCO3)c(C)c1 9806443 DZDBJHSXIZPJFY-SFHVURJKSA-N 430.526 2.924 0 40 IFAB COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)c1 10186686 SEWKCGJMSISCRL-UHFFFAOYSA-N 436.537 2.592 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 10541870 NHCZOCISVDVTJF-UHFFFAOYSA-N 430.526 2.602 0 40 IFAB CC(=O)c1ccc(N2CCN(S(=O)(=O)CCCOc3ccc4c(c3)OCO4)CC2)cc1 11027376 NHOGKFLVMHNDCW-UHFFFAOYSA-N 446.525 2.539 0 40 IFAB O=S(=O)(CCSc1nnnn1-c1ccccc1)c1ccc(Br)cc1 11297167 JJJYGNVNBHEENS-UHFFFAOYSA-N 425.333 2.991 0 40 IFAB COc1ccc(F)c(C[C@]2(CCC(=O)N(C)C[C@H](O)c3ccccc3)CCC(=O)N2)c1 11783484 AXCLSLQJVVPSEI-XUZZJYLKSA-N 428.504 2.998 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3ccccc3Cl)C1=O)OCO2 12772783 DMBCSLRFIOLNAL-OAQYLSRUSA-N 443.843 2.677 0 40 IFAB O=C(COc1ccccc1Br)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 12805103 NOZLPRUBGCSUPU-ZDUSSCGKSA-N 428.304 2.637 0 40 IFAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccco1 12855939 KTDUGYKLQBRVBQ-ZDUSSCGKSA-N 449.558 2.961 0 40 IFAB COc1ccccc1N(CCC(N)=O)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12931040 FOULMMUDKWTAEE-UHFFFAOYSA-N 434.496 2.654 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 13009899 ZRSYBZDIGRAQGX-JOCHJYFZSA-N 425.529 2.777 0 40 IFAB C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13097281 IGHKKTQMLJVTOO-OALUTQOASA-N 427.570 2.500 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 13674827 LOMHTUPNADYBQO-UHFFFAOYSA-N 430.526 2.678 0 40 IFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC1CCN(Cc2ccccc2)CC1 13693099 BRBADCJFNCJFDD-UHFFFAOYSA-N 432.524 2.502 0 40 IFAB COc1cc(CC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc(OC)c1OC 14121647 ZEZICMUMNLWHRX-ZIAGYGMSSA-N 435.546 2.959 0 40 IFAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc3nsnc23)cc1 19079447 LBTXTMCGZBIWNT-UHFFFAOYSA-N 428.539 2.937 0 40 IFAB O=C(c1ccccn1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)CC1 19372300 VTMXTJZFFGHQRX-UHFFFAOYSA-N 429.524 2.743 0 40 IFAB CCCOc1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC 21133695 IZZHFEPNAHOCJI-UHFFFAOYSA-N 425.529 2.558 0 40 IFAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)C(=O)NC1CCCC1 22358321 KGNOUWCFMUSENM-KRWDZBQOSA-N 444.601 2.658 0 40 IFAB CCn1ncc(CN2CCN(C(=O)CCn3nc(C)c(Br)c3C)CC2)c1C 22500705 LXDXNVRHTBDFFM-UHFFFAOYSA-N 437.386 2.522 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1 23125834 DDUXQJDGQYTQJD-UHFFFAOYSA-N 430.420 2.991 0 40 IFAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 25063226 GLGJQAUHHPEVLE-CQSZACIVSA-N 442.463 2.791 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)Nc1cccc(Cl)c1 25128607 WKXWYYHOOFBCAD-MRXNPFEDSA-N 442.855 2.911 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 29710948 ZHWZOQKSZUFNHF-UHFFFAOYSA-N 447.944 2.532 0 40 IFAB CCOC(=O)C1=C(CN2CCc3cc(OC)c(OC)cc3C2)NC(=O)N[C@H]1c1ccco1 30673072 DRTHYXXFKGZSHW-NRFANRHFSA-N 441.484 2.526 0 40 IFAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 31718302 NYIJFEQAOYOKRE-UHFFFAOYSA-N 441.488 2.753 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccccc1-c1ccccc1 31786347 GNOMEMFETPRTBM-UHFFFAOYSA-N 436.537 2.694 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)cs1 32074566 UFTWVSUMCJOKOW-HOCLYGCPSA-N 432.571 2.681 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)CCCn4c(C)csc4=O)CC3)n2)cc1 32889440 XJQUDIODMXYODG-UHFFFAOYSA-N 441.557 2.701 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 32967215 ZULSDJCLUDATNX-FQEVSTJZSA-N 449.573 2.690 0 40 IFAB COc1ccc(-c2n[nH]cc2[C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 36394839 WHWAVJZOAADSML-HXUWFJFHSA-N 431.456 2.693 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38855653 WDFONURMDMOLRD-YWZLYKJASA-N 445.541 2.689 0 40 IFAB CSCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 40156182 GJQRZPAHKGJJOY-DNVCBOLYSA-N 446.598 2.981 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 58297786 ZOVJQDWAUCZSGA-SFHVURJKSA-N 447.479 2.524 0 40 IFAB CCN(C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1 58406021 BQCXUGPIBQAJMN-KRWDZBQOSA-N 434.583 2.901 0 40 IFAB OCCCN(Cc1ccncc1)c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 72310991 CHRBFKSESCMBDK-UHFFFAOYSA-N 439.585 2.796 0 40 IFAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCCCCC3)CC1)NC2=O 72327499 DVJJXTPIDLUVOG-UPCLLVRISA-N 443.544 2.754 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223777922 WFSOCOMHHPOWEK-UHFFFAOYSA-N 441.918 2.614 0 40 IFAB COc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1OC 224731275 QFCLUCQOEVAXJF-UHFFFAOYSA-N 438.521 2.748 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1cc(Cl)ccc1OC 224775322 QWWUBOJESLZSDQ-UHFFFAOYSA-N 448.950 2.845 0 40 IFAB CCOc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1 225627375 HJYSMIPPQQXTGX-UHFFFAOYSA-N 446.569 2.716 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(N4CCCC4=O)c3)ccc21 225661228 DQTDOLIIPIASOQ-UHFFFAOYSA-N 427.526 2.591 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 245228259 MAKXRHGKYHEXQX-JVOGCXDUSA-N 435.471 2.996 0 40 IFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)C1 247951964 SZOITKIURBBZOI-PSHVLCQKSA-N 433.556 2.888 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 253601855 FXGCNPNVFBQWKA-ZHZLYBIUSA-N 442.556 2.809 0 40 IFAB CCCCOc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3ccc(C(=O)O)cc3)C2)cc1 257213837 CJGLBYIIAGYIQX-NHCUHLMSSA-N 428.485 2.626 0 40 IFAB COCCC(=O)N1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n(C)n2)C1 257231188 GFQXRMMJLLTKOC-IBGZPJMESA-N 441.450 2.997 0 40 IFAB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1cccc(OC)c1)S(C)(=O)=O 260832403 JBEJWWKFRJVWQH-DNVCBOLYSA-N 448.541 2.888 0 40 IFAB O=C(NCc1cccc(F)c1)[C@@H]1CCc2nnc([C@H]3CCN(C(=O)c4ccccc4)C3)n2C1 306123888 AZOYDSCBJJVAHE-VQTJNVASSA-N 447.514 2.926 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 408652328 CGVWRKCMUBUDKJ-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB O=C1C[C@H](c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)N2NC=NC2=N1 409375787 PHTKIWBKOQURMV-OAHLLOKOSA-N 431.374 2.899 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1 409390169 JVQDPDHFPBNKJW-UHFFFAOYSA-N 441.509 2.976 0 40 IFAB COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)s1 524733913 CRXXIONVWASPJK-LJQANCHMSA-N 449.492 2.828 0 40 IFAB Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(OCc4cccnc4)cc3)CC2)cn1 589845954 HHBKLVSVMWGQSC-UHFFFAOYSA-N 433.512 2.676 0 40 IFAB COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 606422482 VAJPBFOGRLLPGU-UHFFFAOYSA-N 445.472 2.778 0 40 IFAB O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 782940 FBVVXGSYDSOQOZ-UHFFFAOYSA-N 429.325 2.905 0 40 IFAB CCNS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCCC2)cc1 1351564 AKLBUCREYAAHGO-UHFFFAOYSA-N 437.587 2.903 0 40 IFAB COC(=O)CN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 1440157 NIMOTXBYOJZHOZ-INIZCTEOSA-N 449.891 2.983 0 40 IFAB Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)o1 2475052 DAFSOBKZZZOOLC-UHFFFAOYSA-N 433.511 2.985 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccc3OC)CC2)c1 3173680 LWWBEWNIDTZFIF-UHFFFAOYSA-N 431.558 2.688 0 40 IFAB O=C(O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 3369822 RQXUXJDNTNDETQ-UHFFFAOYSA-N 427.114 2.697 0 40 IFAB CCc1cccc2c(C(=O)[C@@H](c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12 8719962 GZKFFMLPUJTUSA-HXUWFJFHSA-N 441.491 2.950 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 9192607 XVDOASVOZWTBDT-UHFFFAOYSA-N 449.548 2.550 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2ccc(C)cc2)cc1OC 9252641 JGIYKYBQFMGPGB-RTWAWAEBSA-N 434.496 2.937 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 9288691 CKOPPPYIZRXGNB-LBPRGKRZSA-N 445.522 2.700 0 40 IFAB C[C@@H](NC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(S(N)(=O)=O)cc1 9810827 SLYRAZPWXHEAIH-QGZVFWFLSA-N 430.574 2.880 0 40 IFAB Cc1cn2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10233491 ZLGFNCATQFKMLF-QGZVFWFLSA-N 441.491 2.950 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1n1c(-c3c(F)cccc3Cl)nnc1n2CCc1ccccc1 10967320 RHCBKINRANTZRL-UHFFFAOYSA-N 438.850 2.773 0 40 IFAB COc1ccccc1N1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 11613623 TWLFRCSCVHFLEJ-MRXNPFEDSA-N 440.569 2.516 0 40 IFAB O=C1CN(C2CCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 12000223 HRWHBUXJMLSVBR-IAGOWNOFSA-N 427.364 2.596 0 40 IFAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12182937 SFFJMDLAXMGZHH-LJQANCHMSA-N 449.536 2.592 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 12661763 MMJWYJANUZFJAW-YCRPNKLZSA-N 426.425 2.511 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4OC)no3)CC2)cc1 12878901 QVNCBSHBVMVXAO-UHFFFAOYSA-N 443.525 2.865 0 40 IFAB COCCn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nnc1-c1ccccc1 12885300 QDDWPSKLZUIWIL-KRWDZBQOSA-N 440.525 2.640 0 40 IFAB CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 12983099 LOFIGRRAYFBJQU-QGZVFWFLSA-N 435.594 2.886 0 40 IFAB Cc1c(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 13629707 WXFMLDOUGLVIQQ-AWEZNQCLSA-N 443.521 2.962 0 40 IFAB C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 18750444 FBSGEFOXHKMQPN-SECBINFHSA-N 425.338 2.957 0 40 IFAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H](C)N2CCCC2=O)C1 19528771 ORXTWQHVOSEYEF-BCHFMIIMSA-N 448.567 2.657 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19566969 RDXYFTFLDXIQTB-KRWDZBQOSA-N 440.525 2.636 0 40 IFAB O=C(Cc1ccccc1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695589 BSGKOILJPBNZEO-AREMUKBSSA-N 429.520 2.781 0 40 IFAB Cc1nn(C)c(C)c1CCNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 19708144 WPXDPPOTIKPWKZ-UHFFFAOYSA-N 446.555 2.819 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)c(C)n1 19761523 MQYASKVPFJYBIJ-INIZCTEOSA-N 441.557 2.640 0 40 IFAB O=S(=O)(c1cccc(F)c1)N1CCN(CCOc2ccc(Br)cc2)CC1 23805000 QYBCPGOQELBDNX-UHFFFAOYSA-N 443.338 2.974 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)CSCc2cc(=O)n3ccsc3n2)c(C)c1 24067504 UNZKWWCYQLOODR-UHFFFAOYSA-N 430.555 2.669 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](NC(=O)N2CC(O)=Nc3ccccc32)C(C)C)CC1 25107610 HNRJWJWDXRTZFI-LJQANCHMSA-N 430.505 2.631 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1C 26945602 NCVUOUYQOBPWGL-UHFFFAOYSA-N 431.558 2.906 0 40 IFAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1cccnc1N1CCOCC1 30311430 MVGAEHAWDRWYAP-UHFFFAOYSA-N 433.484 2.899 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)COc2ccc(Oc3ccc(C)cc3)cc2)CC1 32824287 NPBRBLNRPGMZJS-UHFFFAOYSA-N 425.529 2.837 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 39655799 RIEDCMYBZVJIMO-HXUWFJFHSA-N 440.452 2.506 0 40 IFAB Cc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 40396064 AXRFVBFYLUZYMY-UHFFFAOYSA-N 438.919 2.790 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccccc1 43751632 DHAQSDRMYVTXOT-PKOBYXMFSA-N 449.532 2.909 0 40 IFAB biogenic CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(OC)c4)ccn3n2)cc1 46005105 XNUNIFQHFRHIKH-UHFFFAOYSA-N 432.480 2.887 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2CCC(c3nnc(-c4ccco4)o3)CC2)n1 49372049 YAHKZHTUOLFXDK-UHFFFAOYSA-N 445.501 2.710 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 56907963 CEYWRIHEPXUEBU-NHCUHLMSSA-N 444.601 2.702 0 40 IFAB COCCOC(=O)c1c(NC(=O)CN[C@@H]2CCCc3ccccc32)sc(C(N)=O)c1C 58372986 VAJHAJQPJYMCKY-MRXNPFEDSA-N 445.541 2.564 0 40 IFAB CCOc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 72309760 XYQULCLABSYXLU-IAGOWNOFSA-N 429.521 2.582 0 40 IFAB CCCn1nc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)ccc1=O 84759116 XTBPNJYUDMAANC-UHFFFAOYSA-N 434.334 2.894 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 89920247 BXJPPZDPPCJCCF-HDICACEKSA-N 444.553 2.826 0 40 IFAB COc1ccccc1N1C(=O)C[C@@H](Sc2cccc(NC(=O)/C=C/C(=O)O)c2)C1=O 113561207 AOJWVGMHKJHXKK-OAGJVSPASA-N 426.450 2.699 0 40 IFAB CSc1nnc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)s1 223312306 ZCGQOCSVIAERNI-UHFFFAOYSA-N 427.360 2.972 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224695640 HQGVNJZJXQCLBO-SESVDKBCSA-N 439.556 2.580 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C(=O)NC(C)C 225045911 LDUOUHMIWQEWNS-UHFFFAOYSA-N 435.527 2.548 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 225065438 RIUIYHCQPGYNJI-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB S=C(NCc1cccnc1)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225940158 WUVVPUNXAXMHGV-UHFFFAOYSA-N 447.568 2.715 0 40 IFAB CCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1 225949702 NVOOZKZZVZCLGE-NRFANRHFSA-N 432.498 2.566 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 248149739 WXUNKRPLHVKSKK-HGSOSGBHSA-N 435.568 2.721 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@]4(Br)[C@@H](C2)N(C)CC[C@]314 253504255 DOUIIQXGCWGWBD-HZDRLRHHSA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro CC[C@H]1CCCCN1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 260458049 UFBDSCIHGKYOSQ-QFBILLFUSA-N 443.997 2.638 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn12 306134663 NUXIOTZCTUFCNV-NRFANRHFSA-N 433.560 2.531 0 40 IFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O 409213687 SPSYMEAHHZZEIO-MLPAPPSSSA-N 429.292 2.726 0 40 IFAB Cc1cc(-c2cc(C(=O)NCCCN3C(=O)CNC3=O)c3cnn(C(C)C)c3n2)c(C)o1 594608444 PBNZTQYULFHNEH-UHFFFAOYSA-N 438.488 2.561 0 40 IFAB O=C1NCCCCCOc2ccc(C(=O)NCCN3CCCC3=O)cc2Cc2cccc1c2 643577080 DCXCXRHSGXOLHX-UHFFFAOYSA-N 449.551 2.922 0 40 IFAB CCOc1cc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)ccc1OC(C)=O 908278 ZYDUTHKIMUJQHS-UNOMPAQXSA-N 437.477 2.698 0 40 IFAB Cc1cccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 921023 KXUOUSKQLASHMX-UHFFFAOYSA-N 436.599 2.937 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)NCc1cccc(C(F)(F)F)c1 2139061 SIYAFSFQNAMZQK-SJORKVTESA-N 447.457 2.909 0 40 IFAB biogenic COc1ccc(NC(=O)C[S@@](=O)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 4356176 HICMRBUYSYAQRE-GDLZYMKVSA-N 428.432 2.718 0 40 IFAB COC(=O)C[C@H]1CN=N[C@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 6142460 FFNWZUULGQZUMN-AVRDEDQJSA-N 425.441 2.998 0 40 IFAB CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 8753650 RXFXTJXIARCRRO-CYBMUJFWSA-N 446.558 2.552 0 40 IFAB COc1cc(N2C[C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)OC2=O)cc(OC)c1OC 8867619 UOGBLNLCAUGTBG-CQSZACIVSA-N 445.428 2.588 0 40 IFAB COc1ccc(OC)c(-n2c(O)c([C@@H]3OCc4cnc(C)c(O)c43)c(=O)[nH]c2=S)c1 9159963 JJQYWEPNOFPRIG-QGZVFWFLSA-N 429.454 2.647 0 40 IFAB C[C@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCCC2)n1-3 9307353 YLUCLMIIVNAATE-NSHDSACASA-N 427.559 2.729 0 40 IFAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9507651 ZYOQVMHGSCPOCA-OAHLLOKOSA-N 449.960 2.751 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 9835831 CQKZVQOCGPLHRK-SJORKVTESA-N 448.266 2.934 0 40 IFAB NC(=O)C1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CC1 9909742 VCHMYHDQGNGWAU-JXMROGBWSA-N 447.944 2.878 0 40 IFAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NCc1ccc2c(c1)OCO2 10166378 UTWRLSDTQKKTNU-UHFFFAOYSA-N 448.475 2.622 0 40 IFAB CC(=O)c1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 10567514 VQRRMYDQQHTMCY-UHFFFAOYSA-N 430.526 2.546 0 40 IFAB COc1ccc(CCC(=O)OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 11868081 HFVJSWGEONAXQW-UHFFFAOYSA-N 442.487 2.862 0 40 IFAB O=C(COc1ccccc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914256 LGXOHDMTCRVGSE-ZDUSSCGKSA-N 428.304 2.637 0 40 IFAB COc1cccc(-n2c(SCC(=O)NCc3ccco3)nc3c(c2=O)SCC3)c1 12140654 QCEWARJYSOVXKL-UHFFFAOYSA-N 429.523 2.891 0 40 IFAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 12229934 IKNNYINJEQBNTC-INIZCTEOSA-N 435.509 2.716 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 12273929 VNQWYRUNHOQJCI-FQEVSTJZSA-N 431.514 2.836 0 40 IFAB CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCCCC1 12762286 DLZWQDCCEYQAAE-UHFFFAOYSA-N 445.988 2.967 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12766933 UDTWKOILFBECMK-FQEVSTJZSA-N 429.952 2.880 0 40 IFAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)cc1 12767262 NQVPCERSUYAZCS-QFIPXVFZSA-N 436.424 2.527 0 40 IFAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 12978850 ONOTXUGNVIMPSI-MRXNPFEDSA-N 434.876 2.508 0 40 IFAB O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(F)c1 12979242 ZEKVKHXJRCAJNU-UHFFFAOYSA-N 433.461 2.547 0 40 IFAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)NCCN1C(=O)CSC1=O 13014708 XNLYPMNXMLITMN-UHFFFAOYSA-N 430.433 2.552 0 40 IFAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 13084862 JCTKBOJSTDDDLH-NRFANRHFSA-N 427.932 2.808 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1cccc(Cl)c1 14240410 LXJMWLYONTVZLT-UHFFFAOYSA-N 436.961 2.652 0 40 IFAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 15506134 ZOORSAIISUSPPR-QRQCRPRQSA-N 432.423 2.764 0 40 IFAB CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4cccc(CN)c4)cc3C(=O)N2C1 15708901 NTOLWWPEIYGZDE-RXVVDRJESA-N 434.540 2.900 0 40 IFAB biogenic,in-vitro Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 17125610 OXFLMHDAYJVRSZ-UHFFFAOYSA-N 436.896 2.593 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c1 19010089 RXPVEAARFRUUNJ-LLVKDONJSA-N 445.497 2.653 0 40 IFAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 19020926 BGTHXKQJVAPCER-AZUAARDMSA-N 428.558 2.709 0 40 IFAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccc(Cl)cc3)c21)NCCc1ccccc1 19371362 RINMDHUDCMNOGB-UHFFFAOYSA-N 448.914 2.887 0 40 IFAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19591178 GBNSRVNWTOHCJZ-HSZRJFAPSA-N 436.537 2.710 0 40 IFAB COCCn1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(C2CCCCC2)CC1 19594011 SZSUQONIZIMHBK-QHCPKHFHSA-N 435.576 2.907 0 40 IFAB O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2cccnc2)CC1 19699498 WJUOINKEQOOSJV-UHFFFAOYSA-N 433.556 2.633 0 40 IFAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@H]2CCCN2C(=O)COc2ccc(F)cc2)C1 19707903 XHYISGRJPWTQCU-KRWDZBQOSA-N 445.495 2.910 0 40 IFAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)cc1 19710845 DMPXJFNNYAOEDL-OAQYLSRUSA-N 437.544 2.937 0 40 IFAB COc1cc(C)ccc1CN1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762086 XHLCVYSHAAITPJ-XMMPIXPASA-N 435.524 2.847 0 40 IFAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)c3nccn3C)CC2)nc1N 19765864 FQISVQBLWWBMAG-UHFFFAOYSA-N 434.500 2.678 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 19797326 AWOLLVJRDLEQGX-NRFANRHFSA-N 446.550 2.892 0 40 IFAB COc1ccc(N2C(=O)NC(=O)/C(=C(/C)NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 20267402 XRDVHBWCYCRJRE-OQKWZONESA-N 448.523 2.806 0 40 IFAB CCOc1ccccc1-n1c(=O)[nH]c(O)c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20757435 PVGVNPZGUPVJKJ-OAQYLSRUSA-N 432.480 2.689 0 40 IFAB biogenic COc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)S(C)(=O)=O)cc1 22332717 NBGSUCSKKZDBII-IBGZPJMESA-N 448.541 2.888 0 40 IFAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(CC)CC2)cc1OC 22626845 IYHHPYAOBUOQHU-GOSISDBHSA-N 431.562 2.939 0 40 IFAB O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NC(c1ccccc1)c1ccccc1 22790834 GJCGUPOIEGVHGH-UHFFFAOYSA-N 448.611 2.912 0 40 IFAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 23223032 HUUCZBYUQIUSCO-AWEZNQCLSA-N 446.554 2.549 0 40 IFAB Cc1csc(=O)n1CCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25920386 QGNHNZAUQCFGLD-UHFFFAOYSA-N 430.526 2.891 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664402 MFKHXFHMYVBDGS-MDZRGWNJSA-N 440.374 2.513 0 40 IFAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NN1C(=O)NC2(CCCCC2)C1=O 28638960 VMEVSJJXPMBOPL-UHFFFAOYSA-N 447.495 2.901 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCCn1cccn1 30171736 MMFRIMUDOMFOFB-MRXNPFEDSA-N 439.379 2.704 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCC[C@H]3C)c2)CC1 32969007 VFTPXGHEOWSUJS-BEFAXECRSA-N 427.998 2.975 0 40 IFAB O=C(Cn1c(O)nc2c(-c3ccccc3F)c[nH]c2c1=O)N1CCN(c2ccccc2)CC1 33038077 SGBIIYDUOBNVBE-UHFFFAOYSA-N 447.470 2.585 0 40 IFAB CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1 36719506 YLCQTVRZVARRAE-UZFJHSOTSA-N 440.540 2.973 0 40 IFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)/C=C/c2ccccc2)c1 40717847 AHRZVGJEHMZSJB-JXMROGBWSA-N 425.510 2.836 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1 41076516 PBOZVGYMKHLJOT-UHFFFAOYSA-N 438.856 2.741 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](C)c3nnnn3C(C)(C)C)cc2c1 57674915 JIHWWPWPHXFFAG-OAHLLOKOSA-N 428.537 2.614 0 40 IFAB Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 58162119 VCHGQYUILWETBF-UHFFFAOYSA-N 432.470 2.838 0 40 IFAB Cc1cc(N2C[C@@H](C(=O)N3CCC[C@H](C4OCCO4)C3)CC2=O)ccc1Br 69232387 LYXIZWWAUXWTRB-GJZGRUSLSA-N 437.334 2.722 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@@]1(CCCN(C(=O)CCCn3ccnc3)CC1)O2 72394799 VJVFIJRGMDIXGT-DEOSSOPVSA-N 440.544 2.864 0 40 IFAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 84155167 UQNFOLXNWUIOPG-MOPGFXCFSA-N 438.528 2.997 0 40 IFAB COc1ccc([C@@H](CNC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 89919340 QIYOYRQKOMCVEB-HYBUGGRVSA-N 447.576 2.974 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 89920248 BXJPPZDPPCJCCF-ROUUACIJSA-N 444.553 2.826 0 40 IFAB O=C(Nc1ccccc1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)Cc3ccccc3)CC2)O1 96262949 IFLSBAWSEZOFOG-NRFANRHFSA-N 430.508 2.981 0 40 IFAB CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 97379371 YSYCZKXMHKCAJO-QWHCGFSZSA-N 442.891 2.532 0 40 IFAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 105387243 CVQRHMLKWFJPEG-LBZXYJKVSA-N 448.544 2.982 0 40 IFAB O=C1NCCCc2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)sc21 211128557 OMHJUJQQQNRIAQ-SNVBAGLBSA-N 449.330 2.573 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc2c(c1)OCO2 222705873 DQZLZYDQLDWFFT-UHFFFAOYSA-N 432.498 2.780 0 40 IFAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1C(=O)N1CCOCC1 222853029 WHSBKHKWOZSUHA-UHFFFAOYSA-N 440.521 2.799 0 40 IFAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224101960 FHROJHPFEJXTGL-NRSPTQNISA-N 439.556 2.517 0 40 IFAB Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 224183019 VQFJWNPZAOXKNP-UHFFFAOYSA-N 440.525 2.892 0 40 IFAB CNC(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 224400848 RRIZECROCBJMSY-UHFFFAOYSA-N 431.514 2.546 0 40 IFAB Cc1cccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 257248507 JDYLZCCZLCWSPX-GNKBHMEESA-N 436.600 2.609 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1CCN(C(C)=O)C2 257252804 JWERIWRUFUHNDY-GOSISDBHSA-N 437.544 2.516 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(Cc4cccnc4)C[C@@H]3c3cccnc3)C2=O)cc1 306137799 RGQIHTFQPWTALQ-AOYPEHQESA-N 444.535 2.882 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)CC1 408597645 ZUVJZWWNGQTJCT-UHFFFAOYSA-N 444.557 2.834 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 408700845 MWBMPKDJHWPEFM-UHFFFAOYSA-N 439.559 2.731 0 40 IFAB COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)sc2c1CCCC2 409115977 KKFHGPRHCLTFAU-UHFFFAOYSA-N 440.518 2.957 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 409199514 DVRTWXGNANWEDO-UHFFFAOYSA-N 439.541 2.839 0 40 IFAB COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1OC 409209993 HQLKDPRVSLGHRL-VQZCYCSMSA-N 440.905 2.689 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 409388256 CQEODJAGUQKPFM-NSHDSACASA-N 428.894 2.671 0 40 IFAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 524485406 MHSXWINXKXRLCN-OXQOHEQNSA-N 447.539 2.786 0 40 IFAB Cc1c(C)c2ccc(OCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)c(C)c2oc1=O 524729182 HPEYOMHRHYKCSP-WSTZPKSXSA-N 438.524 2.956 0 40 IFAB biogenic O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCC(O)(C(F)(F)F)CC2)C1 534100527 IVVQKLAAIOECHU-INIZCTEOSA-N 428.451 2.610 0 40 IFAB CC(=O)N1CCN(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC12CCCCC2 534287455 AISWENSMBHXCIM-QHCPKHFHSA-N 441.620 2.552 0 40 IFAB C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 555163145 HLVGDDLSZZIREM-QGZVFWFLSA-N 443.569 2.871 0 40 IFAB O=C(c1nnc(N2CCN(c3ccccc3)C(=O)C2)n1CCc1ccccc1)N1CCCC1 670165689 VCANADZTDXXKJD-UHFFFAOYSA-N 444.539 2.610 0 40 IFAB COc1ccc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1OCC(N)=O 1547208569 QIAJIEKOWPLBGU-NRFANRHFSA-N 446.463 2.890 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCCN(C(=O)c2cc3ccccc3oc2=O)CC1 1001164 HFLGYOOFGXUPKF-UHFFFAOYSA-N 444.443 2.888 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3303898 CNHDYHVUCAHPPK-OAHLLOKOSA-N 448.566 2.670 0 40 IFAB C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4155995 XSNLHIWRTQZZSU-GSHBDLQKSA-N 434.286 2.595 0 40 IFAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)C1 5864280 JNDQEPCTAWGGAX-INIZCTEOSA-N 425.485 2.592 0 40 IFAB CCC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6501388 AOFGVLWJDICWSU-MRXNPFEDSA-N 443.573 2.694 0 40 IFAB CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)O 8768952 MKGAFIGIUOMEDF-FGTMMUONSA-N 430.505 2.929 0 40 IFAB biogenic Cc1cc(C)n2c(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)nnc2n1 8942944 ZJXCNAJRXIKJTF-CQSZACIVSA-N 448.574 2.547 0 40 IFAB CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 9190939 CNIHRNDZKUUXPO-UHFFFAOYSA-N 440.331 2.627 0 40 IFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCN(c2ccc(F)cc2)CC1 9207447 SUNUWSNOHLTCDO-INIZCTEOSA-N 437.566 2.709 0 40 IFAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)NC1CC1 9219932 AJJAJACPJCHCNN-HNNXBMFYSA-N 440.525 2.813 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 9288788 FZCDRDGMSDZIAD-INIZCTEOSA-N 445.541 2.765 0 40 IFAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 9725785 ZHFVXADJAVJNCV-UHFFFAOYSA-N 449.540 2.716 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)cc1 9762009 BWFBPBRYWNCDJG-UHFFFAOYSA-N 437.474 2.845 0 40 IFAB O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc(F)cc1F 9844704 IDVWFGLIZDXHAY-UHFFFAOYSA-N 425.844 2.820 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c(OC)c1 9852953 CKOHQOZQNVTXSY-UHFFFAOYSA-N 433.461 2.657 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 9974517 QMDYAHKJMJHKPJ-LJQANCHMSA-N 446.569 2.772 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 10386741 RNQRLUPARPJPPM-UHFFFAOYSA-N 436.555 2.668 0 40 IFAB O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)Nc2nccs2)o1 11726717 YUQLKGFZXTZJSN-UHFFFAOYSA-N 439.906 2.606 0 40 IFAB O=C(CCC1CCCC1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 11796161 BZRCURRUEUQWOD-UHFFFAOYSA-N 425.570 2.754 0 40 IFAB CCOC(=O)Cn1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2ccccc21 12088780 LMDWRDHDQDJVRN-UHFFFAOYSA-N 443.507 2.908 0 40 IFAB O=C(COc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2 12129620 HTURIEANFIHLFO-UHFFFAOYSA-N 425.876 2.993 0 40 IFAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 12267654 YXXNGAWPVFLLMH-LLVKDONJSA-N 435.431 2.920 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 12796698 RUMKYZYHJUCKBT-SFHVURJKSA-N 430.526 2.810 0 40 IFAB COc1cccc(CN(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 13017678 RBKPHGQPXDNBSI-UHFFFAOYSA-N 427.526 2.515 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1 13038239 KQZYZZXGUMGHMG-IBGZPJMESA-N 441.597 2.749 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 14233787 PKSNHCBRZWQYJY-APWZRJJASA-N 437.496 2.872 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)CC1 16051014 LCSFGXYBWZYLIS-UHFFFAOYSA-N 439.925 2.527 0 40 IFAB Cc1cc(SCC(=O)NCc2ccco2)nc(SCC(=O)NCc2ccco2)n1 16283862 KMFBGGCPXNFSSG-UHFFFAOYSA-N 432.527 2.788 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2cc(C)cc(C)c2)c1=O 16995668 LHSYNZZXBRZZNR-OAQYLSRUSA-N 432.480 2.573 0 40 IFAB biogenic COc1cccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 19497313 DHIPBILIYKYGET-IYBDPMFKSA-N 426.517 2.688 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19501665 VKRUDYURLYKQFS-LJQANCHMSA-N 426.492 2.961 0 40 IFAB COc1ccc(OC)c(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 19551022 DTPNNJIBULZGHX-UHFFFAOYSA-N 426.498 2.930 0 40 IFAB C[C@@H](C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)N1C(=O)c2ccccc2C1=O 19604071 JMAWCHYRNCIJIH-ZDUSSCGKSA-N 436.493 2.756 0 40 IFAB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 20110662 GXVZXPLBHGXSEN-GOSISDBHSA-N 426.542 2.960 0 40 IFAB CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O 20466927 ZKOUFEFTQCQHOR-IHFZFUTHSA-N 430.593 2.903 0 40 IFAB biogenic,in-vitro COC(=O)c1ccccc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O 23389215 JHMIUBQCEBESGA-UHFFFAOYSA-N 430.258 2.974 0 40 IFAB CCOC(=O)CN1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 23478680 NHVFSUCUTDFZHA-HSZRJFAPSA-N 429.948 2.726 0 40 IFAB COc1cccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)c1 24638523 IDUUHZRRWZIXNW-UHFFFAOYSA-N 437.569 2.927 0 40 IFAB O=C(C[C@@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 30937567 DTZLBSDOIOUMMQ-OAQYLSRUSA-N 433.512 2.675 0 40 IFAB CCOc1ccc(-c2nc(COC(=O)CCn3nc(O)ccc3=O)cs2)cc1OC 32672288 SJFZDILSVAYFMG-UHFFFAOYSA-N 431.470 2.613 0 40 IFAB CN(C)Cc1cccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1 33089440 NTFZVRDGZGYQCX-UHFFFAOYSA-N 428.577 2.891 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 35421718 XNGSYTQVOGQPHW-WOJBJXKFSA-N 429.586 2.610 0 40 IFAB CNC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1Br 36612896 LGENPGWHPLHYKX-GOSISDBHSA-N 446.301 2.978 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1S(=O)(=O)N1CCOCC1 37224352 HBQUHFZMVVBXFM-HHUSHDGXSA-N 436.574 2.670 0 40 IFAB CCOC(=O)c1sc(NC(=O)COC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1C 40059753 CHAVWRLNVVYMQV-AWEZNQCLSA-N 448.497 2.860 0 40 IFAB Cc1ccc(C2=NN(C(=O)COC(=O)CNC(=O)c3ccco3)[C@H](c3ccco3)C2)cc1 40159024 AHXFTSGHYCFRGX-SFHVURJKSA-N 435.436 2.832 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44911959 BHGHPDFCIYDVJZ-IBGZPJMESA-N 432.498 2.728 0 40 IFAB CCn1nc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c2c(c1=O)CCCC2 46027505 YGSPFNJYZCUZQP-KRWDZBQOSA-N 431.558 2.575 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@H](c3cccc(Cl)c3)C3=C2COC3=O)cc1 49403003 ALBLFTCBSAQWCI-LJQANCHMSA-N 427.844 2.865 0 40 IFAB O=C(c1ccccc1O)N1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 72308215 KDJCDXBALDKTSF-GOSISDBHSA-N 433.430 2.974 0 40 IFAB CC(C)[C@@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 78808597 GXWYMBWQSGEHHT-LJQANCHMSA-N 437.573 2.582 0 40 IFAB Cc1ccc(Oc2ccccc2)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 79056891 BQYCKCBSSOSZHO-INIZCTEOSA-N 441.509 2.891 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCN(C[C@@H]4COCCO4)CC3)c(C(C)(C)C)n2)cc1 84177490 QFBHKLIQZPJCHD-HXUWFJFHSA-N 426.561 2.651 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc([C@H](O)c2cccs2)s1 90613776 KFDBKDPAZFVVCB-GOSISDBHSA-N 430.507 2.553 0 40 IFAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2cccc(F)c2)CC3)C1=O 96144453 VNXOXAXBWIGBOH-QHCPKHFHSA-N 445.539 2.676 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 138882107 BNSPXMRZPRWRAI-INIZCTEOSA-N 443.887 2.632 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccc3ccccc3c1)CN2S(C)(=O)=O 223624042 DJRITZJZVWBNIY-QFIPXVFZSA-N 440.521 2.870 0 40 IFAB CCOc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)cc1 224765378 QLEZCURLQNEWAL-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 224867565 ABQBCMKRRKXMOB-UHFFFAOYSA-N 432.376 2.719 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(=O)NC3CCCCC3)[C@H]4C2=O)c1 245227878 XICHVSHOOMAYPQ-XBZNOJLSSA-N 438.524 2.582 0 40 IFAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 257240981 HWBBDXZXILTPHO-KZNAEPCWSA-N 428.558 2.672 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)C1 257273538 NHAKSAGCXLIEBX-OAQYLSRUSA-N 432.536 2.892 0 40 IFAB COc1cc(CN2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)ccc1OCC(N)=O 257327641 XCDWIABZIIBIEG-QFIPXVFZSA-N 449.511 2.666 0 40 IFAB CCOC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)sc2c1CCC2 408616521 AFGAFFVZOHHQKD-UHFFFAOYSA-N 440.518 2.957 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 409336907 VKQVRVKWTIWKQY-UHFFFAOYSA-N 433.530 2.630 0 40 IFAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]2[C@H]2CCCN21 504771481 OMFCZJCUEDECGI-IZZGNVEXSA-N 431.492 2.689 0 40 IFAB biogenic CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 557909865 IOEVPRHNSMPCTO-QGZVFWFLSA-N 432.933 2.833 0 40 IFAB O=C(O)C[C@@H]1COCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 675094989 BEOSQIDSTNBSEK-VQIMIIECSA-N 430.888 2.903 0 40 IFAB CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)N(NC(=O)c2ccc(Cl)cc2)C1=S 1075471 JPJALPBFVUTKIX-HNNXBMFYSA-N 434.880 2.580 0 40 IFAB O=C(Nc1ccccc1Cl)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1335819 XVIKBWVVXZCTIJ-UHFFFAOYSA-N 429.860 2.979 0 40 IFAB O=C(Cc1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 3447413 QKPKDLXMLWBGPC-UHFFFAOYSA-N 430.423 2.920 0 40 IFAB O=C(NCCCCCCNC(=O)NC[C@@H](O)c1ccccc1)NC[C@@H](O)c1ccccc1 4017859 OIYRMNRLJKXYSD-FGZHOGPDSA-N 442.560 2.612 0 40 IFAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O 5529885 NVDJORDAHOURAX-HWMQIADMSA-N 426.446 2.928 0 40 IFAB COCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc12 6300123 FCVGASAYIVIAFL-UHFFFAOYSA-N 431.496 2.614 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCCSc1nc2ccccc2o1 6444822 GYVWRPQGHBIHBV-UHFFFAOYSA-N 440.529 2.737 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 8926183 WDILDFHQGHNUKZ-UHFFFAOYSA-N 444.417 2.508 0 40 IFAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 8936566 CVTSRKZFPHPRQX-QGZVFWFLSA-N 441.296 2.560 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 9185401 QMYRBJINBRTZQM-UHFFFAOYSA-N 433.961 2.933 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 9210195 APUXMZSGHJUBPT-CMCWBKRRSA-N 449.894 2.974 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 9337184 SAZMAHUUQLUWQF-HNNXBMFYSA-N 425.268 2.633 0 40 IFAB COc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C 9518787 SCALLXTYXRANRR-OAHLLOKOSA-N 449.486 2.881 0 40 IFAB Cc1cc(O)nc(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 9667847 OKZLGLNLHHBNOV-QGZVFWFLSA-N 430.511 2.610 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1 9761588 TUNQLRAIZGUSOE-UHFFFAOYSA-N 428.466 2.794 0 40 IFAB CCNC(=O)COC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 9792138 NCELUQRPZWYSDL-UHFFFAOYSA-N 426.494 2.862 0 40 IFAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375594 NBCCZTWKXSANAH-UHFFFAOYSA-N 436.917 2.694 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccccc3Cl)nnc1n2Cc1ccccc1F 10968995 JIPAEQHRKZBLAB-UHFFFAOYSA-N 438.850 2.589 0 40 IFAB CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](C(CC)CC)N2CCOCC2)c1 12823847 XBXSWYPBBRTXNR-HXUWFJFHSA-N 425.595 2.705 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 12916635 ZVJHIUNTKNZKKN-HNNXBMFYSA-N 442.965 2.930 0 40 IFAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 13036880 CHUOOQVGKKOHQP-UHFFFAOYSA-N 439.401 2.590 0 40 IFAB COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1 13041594 BVQSPPXDHDZVJB-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13135167 UPNNNTPTZMAHQX-STQMWFEESA-N 431.905 2.509 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 13714623 CXVZPXUGTLMWQG-KRWDZBQOSA-N 430.954 2.686 0 40 IFAB O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13848283 IFRUOBLBQIETTD-UHFFFAOYSA-N 444.904 2.549 0 40 IFAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21 13992332 IBZBJEQNRVFTBS-UHFFFAOYSA-N 433.439 2.998 0 40 IFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16022076 XFGCKMHBTHYXGS-DDXXZBLJSA-N 447.535 2.771 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc(C)c2C)CC1 16291284 ZEUCYSLMLZOOLT-UHFFFAOYSA-N 445.585 2.590 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(-c3ccccc3F)c1=O)NCC2 17194610 VWURNQPHZCRVAB-SFHVURJKSA-N 429.473 2.992 0 40 IFAB COC(=O)Cc1c(C(=O)OC)sc2nc(CN[C@H](C)c3ccccc3Cl)[nH]c(=O)c12 17289188 OLTNNKIZRVVGPV-SNVBAGLBSA-N 449.916 2.991 0 40 IFAB CC(C)c1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19453230 AOVVKESKLHREBX-LJQANCHMSA-N 444.601 2.591 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)COc4ccccc4F)C3)c2N)cc1 19558793 NWEPEYRSIWQECO-HNNXBMFYSA-N 438.459 2.712 0 40 IFAB COc1c(C)cccc1C(=O)N1C[C@H](c2ccc(CNC(C)=O)cc2)[C@@H](C(=O)N(C)C)C1 19698741 ZNCNBAITKQNJSH-YADHBBJMSA-N 437.540 2.584 0 40 IFAB CCN1CCC(CC(=O)N2CCCC[C@@H]2c2nc3c(c(NC)n2)CCN(C(C)=O)C3)CC1 19708680 GMGYGSOOJFZMQM-OAQYLSRUSA-N 442.608 2.599 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)CC1 19765643 RCXGVCSAZGMJAM-OAQYLSRUSA-N 441.576 2.723 0 40 IFAB COc1cc([C@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4C(C)C)cc(OC)c1OC 19962320 XVHPBSGSKRJYQE-GFCCVEGCSA-N 439.468 2.604 0 40 IFAB CCCN1CCN([C@@H](c2cc3cc(CC)ccc3[nH]c2=O)c2nnnn2C(C)(C)C)CC1 19972932 CDJVAZWYFANRQX-NRFANRHFSA-N 437.592 2.949 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Cl)c(C(F)(F)F)c1 20237583 WQXLZMPWHXMWGN-UHFFFAOYSA-N 449.838 2.862 0 40 IFAB CC(C)[C@@H](NC(=O)CN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1)c1ccc(F)cc1 22848460 ZZXGUYDXZRDROO-OHUGHZGNSA-N 446.611 2.761 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)cc1 23134978 CMODIDBEEITGSU-JOCHJYFZSA-N 434.544 2.899 0 40 IFAB CN1CCN(c2ccc(CNC(=O)C3CCN(c4nc5ccccc5o4)CC3)cn2)CC1 23318778 CJXJSXQUVDSRSS-UHFFFAOYSA-N 434.544 2.507 0 40 IFAB CCCCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 24840173 SBWWVZVMXJRUKB-GOSISDBHSA-N 439.537 2.815 0 40 IFAB CCOC(=O)C1=C(CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)NC(=O)NC1 25862056 YRJFRHFHPKONEP-UHFFFAOYSA-N 445.951 2.763 0 40 IFAB O=C(NCCOc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 26906715 XWPMJWGMNWKZCL-CQSZACIVSA-N 428.963 2.997 0 40 IFAB CCOC(=O)C1=C(Cn2cccc(C(F)(F)F)c2=O)NC(=O)N[C@H]1c1ccc(C)o1 31815035 OWGDSBZSKKQNGY-HNNXBMFYSA-N 425.363 2.640 0 40 IFAB CCN1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 31815243 MMCQWVLEAZAZPW-RDJZCZTQSA-N 425.558 2.806 0 40 IFAB CCC(C)(C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O 32745382 IYTQFPLILYRCHW-LLVKDONJSA-N 442.379 2.937 0 40 IFAB C[C@@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@@H](C)O1 32899236 UOWMCJOYSXIYAX-IAGOWNOFSA-N 449.548 2.856 0 40 IFAB CC(=O)N1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1 35500490 HKCRAGYWISXWEQ-UHFFFAOYSA-N 425.554 2.961 0 40 IFAB Cn1c(-c2ccccn2)nn(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1=O 38533282 NSHLASGDADVZBG-UHFFFAOYSA-N 425.920 2.925 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(SCc3nccn3Cc3ccccc3)nc2)CC1 40067314 HIGPXSCVXBRVFS-UHFFFAOYSA-N 443.598 2.555 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCCC2)c1 48264437 YKTRSKKUDLTTGA-WIYYLYMNSA-N 430.549 2.696 0 40 IFAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1nc2ccccc2n1C 72312000 OEVJRAORONEKLN-LBPRGKRZSA-N 433.434 2.566 0 40 IFAB COc1ccc(OCC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 72395591 BQEDVIBNNNHHDI-DLBZAZTESA-N 439.438 2.892 0 40 IFAB Cc1cc(NC(=O)CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)ccc1Br 78950543 YGDGJGNQHNXCHT-KRWDZBQOSA-N 438.366 2.799 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCOc1cccc2cccnc12 84493979 BJDRVOABZLCOHX-MDKPJZGXSA-N 428.558 2.846 0 40 IFAB COc1ccc(C(=O)NCC(C)(C)CO)cc1S(=O)(=O)NCc1ccc(Cl)cc1 89761784 BSCUTUJOHLRVDK-UHFFFAOYSA-N 440.949 2.575 0 40 IFAB CCC[C@H](C(=O)OCC)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 89949428 GCGFHEPKAAPXBJ-CEXWTWQISA-N 439.597 2.946 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C 95451725 DMVBZYDHGNNFDB-ZDUSSCGKSA-N 430.324 2.560 0 40 IFAB COCCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100872804 NTFCXHAVNXLPJH-MRCUWXFGSA-N 434.539 2.649 0 40 IFAB NC(=O)COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)cc1 102899704 YELHAMZDHHNJDO-WMZHIEFXSA-N 447.472 2.693 0 40 IFAB CC(=O)O[C@H]1O[C@@]23CC[C@@]4(O)C[C@H](O)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13 119192934 RXXZRNNOAJTUSW-DOLZXFHXSA-N 446.540 2.626 0 40 IFAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 222655687 DYEFYNULBUERTH-QGZVFWFLSA-N 445.946 2.960 0 40 IFAB COC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 224155717 VJSUGPNQLYICNC-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccc3ccccc3c2)cc1 224263258 LQCKRBWGGVYCAT-UHFFFAOYSA-N 428.510 2.664 0 40 IFAB COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)s1 225275279 HBDVZWBJDXGJSA-MRVPVSSYSA-N 432.321 2.972 0 40 IFAB COc1cc(CC(=O)N2[C@H]3CC[C@H]2[C@@]2(C3)NC(=O)c3ccccc3N2)cc(OC)c1OC 247912542 KWHLMGWUWVLXIN-IJHUGTEESA-N 437.496 2.570 0 40 IFAB Cc1c(C(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)nnn1-c1ccccc1F 257291799 QIQGGXDGOBYTNO-ICSRJNTNSA-N 428.439 2.898 0 40 IFAB CCCn1cc(S(=O)(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)c(C)n1 257322283 WFHXNLMGMHOSKP-QAQDUYKDSA-N 433.578 2.656 0 40 IFAB Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(S(=O)(=O)N(C)C)C2)ccn1 257344968 ZZKLBRLMPJKWJY-IBGZPJMESA-N 440.573 2.988 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3ccccc3-c3cn4c(n3)SCC4)n2)n1 390826748 BODALMOIOQKSCW-UHFFFAOYSA-N 447.524 2.654 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 408693148 JMFQRAGEODDNCN-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1OC 408709020 ODAVULORXLPAEB-UHFFFAOYSA-N 439.512 2.674 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(C)c2OC)C1=O 409231024 AXCJAXIYUHFYSZ-LFIBNONCSA-N 425.441 2.552 0 40 IFAB Cc1nc(C)n(C[C@@H]2CCCN(CC(C)CN3CCC[C@@H](Cn4nc(C)nc4C)C3)C2)n1 532558099 GPXMVCJTGLORDR-DNQXCXABSA-N 442.656 2.864 0 40 IFAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c1 585269698 HZIQAKAWJKLKPE-HXUWFJFHSA-N 428.529 2.568 0 40 IFAB CN(C(=O)c1csc(Cc2ccccc2)n1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 642288705 NDROLBLOUCAWOA-UHFFFAOYSA-N 447.520 2.903 0 40 IFAB O=C(c1cccc2ccccc12)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@H]2C1 1549162302 TUFGXYZHLXRYBW-HXUWFJFHSA-N 432.455 2.910 0 40 IFAB CCOC(=O)c1cnn2ccc(NC(=O)CO[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc12 1647786327 WRYSFHPRDMKZDA-MRXNPFEDSA-N 446.504 2.866 0 40 IFAB O=C(Nc1ccc(F)cc1)N[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241760 BHUYQPRSUYDVTF-ONCXSQPRSA-N 441.507 2.703 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)cc2c1 879491 XNYADNKXRDBRHS-PMACEKPBSA-N 445.585 2.961 0 40 IFAB Cn1c(=O)c2c(nc(SCC(=O)c3cccs3)n2Cc2ccc(F)cc2)n(C)c1=O 1222984 LDAMUYGSAJJUBT-UHFFFAOYSA-N 444.513 2.658 0 40 IFAB COc1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC 3529760 IRWWTXUKBYFEAM-UHFFFAOYSA-N 447.509 2.918 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc(NC[C@@H](C)O)c(=O)cc1[C@@H](NC(C)=O)CC2 8789335 FCRZZSUGYDONBZ-ACJLOTCBSA-N 442.512 2.656 0 40 IFAB biogenic COc1ccc(-c2c(NC(=O)CN3CCC(C(N)=O)CC3)oc3ccccc3c2=O)cc1 8844401 MOUQPLCQNDEXST-UHFFFAOYSA-N 435.480 2.604 0 40 IFAB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 8969298 LRHWXLHDLZFPIW-CJFMBICVSA-N 432.524 2.801 0 40 IFAB NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9227104 PLNVETQXNKFPPF-UHFFFAOYSA-N 437.521 2.978 0 40 IFAB Cc1ccc2nc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)cc(=O)n2c1 9512222 SBPVSUGAZRWPDX-UHFFFAOYSA-N 448.552 2.772 0 40 IFAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1sccc1C(N)=O 9544539 HHNZUXYFRCANBH-UHFFFAOYSA-N 437.934 2.939 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1cccc(Cl)c1 9761703 UNZBSSFHGBDBGW-UHFFFAOYSA-N 434.857 2.830 0 40 IFAB O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 10032387 KYSZSYJSFXHDNR-UHFFFAOYSA-N 447.557 2.509 0 40 IFAB CCCc1cnc2c(c1SCC(=O)N1CCCc3ccccc31)c(=O)n(C)c(=O)n2C 10216697 ICLXMMPNLIJRBJ-UHFFFAOYSA-N 438.553 2.656 0 40 IFAB COc1ccc(C(=O)O[C@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 11809493 ZCOQDXZIWRAMDU-YWZLYKJASA-N 446.525 2.642 0 40 IFAB CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 12113703 IJEDEAKVVJHTPU-UHFFFAOYSA-N 430.452 2.616 0 40 IFAB COc1cc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc(OC)c1 12418295 FBRNSVONRJRESR-UHFFFAOYSA-N 435.480 2.893 0 40 IFAB biogenic,in-vitro CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 12553151 IIECIOCCTRPKRR-GOSISDBHSA-N 436.622 2.988 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 12569502 XSKPBNDTIWOPCR-WIRVKHDMSA-N 429.517 2.868 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc(=O)c3cnn(-c4ccc(C)cc4)c3[nH]2)cc1 12675684 NUBBCXBIXDAROM-UHFFFAOYSA-N 449.536 2.877 0 40 IFAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)COc1cccc(C)c1 13028856 GYGUTFXEUZLAQS-UHFFFAOYSA-N 437.452 2.918 0 40 IFAB CCC(C)(C)NC(=O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 13084678 BVRPWMLOZHXZEB-UHFFFAOYSA-N 439.512 2.730 0 40 IFAB NC(=O)Cn1c(CSc2nc(C3CC3)n(-c3ccccc3)n2)nc2ccccc2c1=O 13126774 ZFBXPEUYIZUNDW-UHFFFAOYSA-N 432.509 2.632 0 40 IFAB COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)cc1 13501714 WGASKJJFIFCMRB-UHFFFAOYSA-N 444.557 2.958 0 40 IFAB CN(C)CCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13719837 GAERXPPJDBKCHH-UHFFFAOYSA-N 433.486 2.902 0 40 IFAB COC(=O)c1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 14411210 KEQSSMGXHVUZJW-UHFFFAOYSA-N 441.303 2.640 0 40 IFAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC 16267458 WNENRAPASPEEOA-UHFFFAOYSA-N 434.558 2.608 0 40 IFAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@H](C2)N1C(=O)c1ccn(C)c(=O)c1 19290818 PQGDLFBARZSSCP-MJGOQNOKSA-N 430.512 2.887 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21)NC[C@@H]1COc2ccccc2O1 19375715 YUOMVJRFUSSXKS-OAHLLOKOSA-N 440.887 2.689 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)cc1C 19698098 ONALNYLFEBKYKO-UHFFFAOYSA-N 444.557 2.612 0 40 IFAB COCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)CC1 19739403 GEIQLAFYAFCEKM-UHFFFAOYSA-N 426.492 2.756 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CCC(=O)N2CC1CCCCC1 19741541 SDXMQDOGLMPAGT-GOSISDBHSA-N 441.576 2.616 0 40 IFAB O=C(Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)Nc1cccc(-n2cccn2)c1 19750638 FFAVZUJWAHHOFY-UHFFFAOYSA-N 445.454 2.742 0 40 IFAB CCCN1C(=O)[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1 20622651 IHBMRUYNNZKBJX-SFHVURJKSA-N 425.432 2.923 0 40 IFAB CC(=O)N1C[C@H](C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)Oc2ccccc21 21630906 FQFKMHXJPOWPOX-HXUWFJFHSA-N 449.463 2.658 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(F)cc1F 22250070 JXOJOUVNQRROIR-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB C[C@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C(=O)N1CCc2ccccc21 22501024 IZJGWZLGEUZTOL-JTQLQIEISA-N 443.308 2.775 0 40 IFAB COc1ccc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 22533849 PTYQCVGOHNUFLS-UHFFFAOYSA-N 430.526 2.869 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)nn1-c1ccccc1F 22602699 IYYGKERFNIEZJW-UHFFFAOYSA-N 435.459 2.631 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1F 23078563 XWAUZGYRWRUAJY-UHFFFAOYSA-N 449.548 2.776 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(CCOc3ccccc3)CC2)C1=O 23257457 CIUZUJKQSHQBDD-SANMLTNESA-N 448.567 2.596 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2ccsc2)NC(=O)N[C@H]1c1ccc(OC)cc1 23819439 XMYPYXPMWSAGIV-IBGZPJMESA-N 430.482 2.714 0 40 IFAB CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 24610150 OEQZQDDTKZJXPJ-UHFFFAOYSA-N 433.505 2.965 0 40 IFAB O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCN(C(=O)c2ccoc2)CC1 31035320 SCPXUYNRQJIZTN-UHFFFAOYSA-N 448.317 2.583 0 40 IFAB COc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cc1S(=O)(=O)N1CCCCCC1 32046423 GYZPLMWDZYBFAI-UHFFFAOYSA-N 445.541 2.540 0 40 IFAB O=C(NCCc1ccccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 32676095 VHQISLXTJHTGNN-UHFFFAOYSA-N 427.570 2.720 0 40 IFAB CC(C)[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cccs1 32858300 SZUUCWOEEAHUKW-QGZVFWFLSA-N 438.600 2.888 0 40 IFAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 35532429 GDXOWNYSUKGMOR-IBGZPJMESA-N 435.455 2.798 0 40 IFAB COc1cccc2c1OC(=O)[C@@H]1[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H]2[C@@H]43)[C@@H]1C(=O)O 36007000 LETQKJKEXLWDSX-NNSPKIJHSA-N 431.491 2.553 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](C)CN3CCCC3)cc2)cc1 40152073 JUCRVOWLCMCLAN-QGZVFWFLSA-N 431.558 2.958 0 40 IFAB CCOc1ccc(C(=O)CCC(=O)N(CCCO)S(=O)(=O)c2cccs2)cc1 58014768 XXYYYWBAAJJLKH-UHFFFAOYSA-N 425.528 2.710 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(F)c3)c2C)c1 71326978 PARIVOSMLABYSB-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 72192016 RZVZLNPEKZANAB-CYBMUJFWSA-N 439.497 2.735 0 40 IFAB Cc1csc(C(=O)N2CCC(c3nnc([C@H]4CCCCN4S(C)(=O)=O)o3)CC2)c1 72344922 WUMFWFKCFNLRSZ-OAHLLOKOSA-N 438.575 2.946 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1CN(C)CC2 72372305 ILVRUNAGTVUUNO-FQEVSTJZSA-N 442.608 2.789 0 40 IFAB Cc1c(S(=O)(=O)NC[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)cnn1C 100658019 VCOASQNCSJDGJI-IYBDPMFKSA-N 441.557 2.628 0 40 IFAB COc1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cnc(OC)nc2OC)c(OC)c1 100728430 PIURGSKGDTUGEQ-IAGOWNOFSA-N 429.517 2.631 0 40 IFAB CC(C)C[C@H](C(=O)O[C@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 103454118 JKDGEPBEDYKLLP-BTHPGYMESA-N 426.513 2.600 0 40 IFAB CC1=NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2N1CC(C)C 223121605 CEOMNVUJYYUGFG-UHFFFAOYSA-N 429.498 2.928 0 40 IFAB Cc1cc(C(=O)NCCN2CCCC2=O)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224220135 QDPZXNZBIZVSGT-UHFFFAOYSA-N 449.960 2.826 0 40 IFAB CCOc1ccccc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 224619210 SIKSHPJRAXTEDH-UHFFFAOYSA-N 430.577 2.842 0 40 IFAB CCSc1nnc(NC(=O)[C@@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)s1 224942233 ZOYBDNPNCKLAMS-CYBMUJFWSA-N 430.577 2.842 0 40 IFAB CNC(=O)c1cnn([C@@H]2CCCN(Cc3ccccc3OCCN3CCCC3)CC2)c1 257262743 LMQWWZWLILPCOF-JOCHJYFZSA-N 425.577 2.945 0 40 IFAB O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(Cl)s3)C[C@H]21 306125256 CKQLWWCUWNDPJQ-RCCFBDPRSA-N 439.002 2.748 0 40 IFAB COc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 306133232 MGBCMGLUDXOWNN-AZGAKELHSA-N 444.535 2.882 0 40 IFAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)CN1 306145534 ICRMFSFJUWUMQD-HNNXBMFYSA-N 427.542 2.528 0 40 IFAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 408709735 WKXNKGUSCGMRHA-UHFFFAOYSA-N 445.475 2.909 0 40 IFAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 408719260 BFJGNJRDFUFQSY-UHFFFAOYSA-N 444.553 2.750 0 40 IFAB O=C1S/C(=C\c2ccccc2I)C(=O)N1CN1CCOCC1 408731639 OHQOHCWTZZJRFJ-LCYFTJDESA-N 430.267 2.617 0 40 IFAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc2nnc3ccccn23)c2ccccc21 575443993 KPYRQNFQFWLZJN-GOSISDBHSA-N 448.527 2.973 0 40 IFAB C[C@@]1(O)CCN(C(=O)N2CCOCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 604383284 SGOQZBCFPRJGFK-AWRGLXIESA-N 441.503 2.574 0 40 IFAB biogenic,in-vitro NS(=O)(=O)c1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 915916 RDPMPHBWTWNKEL-UHFFFAOYSA-N 436.658 2.844 0 40 IFAB CO[C@H]1OC2=CC[C@H]3C(=O)NC(=O)[C@@H]3[C@H]2[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 8655853 CWAWZNHFJPDBBH-NJSMDVHCSA-N 449.503 2.953 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8791534 UVRFNUIXRWDDPF-XYFIKHSYSA-N 435.505 2.531 0 40 IFAB biogenic O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1ccccc1Oc1ccccc1 8883044 BYYLIACEDGFBQW-FQEVSTJZSA-N 425.416 2.889 0 40 IFAB CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@H]2CCCO2)s1 8912369 VOGKKYBABIGJLC-LLVKDONJSA-N 436.964 2.624 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c(OC)c1 9416397 SQXVGFJJBGFALZ-UHFFFAOYSA-N 439.859 2.892 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nn1-c1ccccc1 9514353 VKCKQISNUVZWBW-UHFFFAOYSA-N 429.480 2.661 0 40 IFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9729804 RQVMGVWUYLKXSI-AZUAARDMSA-N 425.916 2.631 0 40 IFAB COC(=O)c1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1 9884615 RATXWGJROIPQFP-UXHICEINSA-N 432.480 2.706 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CCc2ccccc21 9949163 HXZBAARTROLCJM-UHFFFAOYSA-N 435.553 2.844 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NCC(F)(F)F 10399724 NRDDWRUFHKAIOB-LBPRGKRZSA-N 425.498 2.805 0 40 IFAB CSCc1nc2sc(C(=O)NCCc3ccc4c(c3)OCCO4)c(C)c2c(=O)[nH]1 12737945 YVIGDXXXISXUKI-UHFFFAOYSA-N 431.539 2.900 0 40 IFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Br)s1 12869977 BUCYJPSFLZZKHX-UHFFFAOYSA-N 431.377 2.821 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1OC 13001058 BBTRNGCKYMSWCU-ZIAGYGMSSA-N 429.498 2.941 0 40 IFAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cn2)cc1 13807144 KZVRIXGXJCVLLI-UHFFFAOYSA-N 438.915 2.921 0 40 IFAB O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1nnnn1-c1ccccc1 14242144 DYAKVDKWNMSOCP-UHFFFAOYSA-N 438.491 2.938 0 40 IFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 16046298 UYCYTFBXDAOCRI-QFIPXVFZSA-N 438.509 2.595 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 16692642 RXZAYQVEMSUMOM-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB O=C(CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1)Nc1nnc(C(F)(F)F)s1 17206122 YWIWRCXWSWRGBU-UHFFFAOYSA-N 445.442 2.759 0 40 IFAB CCCCn1nnnc1COC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl 19297279 PVFPCZDKIYDGOV-OAHLLOKOSA-N 425.942 2.722 0 40 IFAB COc1cccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)c1 21155719 MIUYFCWGUMHAPA-HSZRJFAPSA-N 432.524 2.888 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 21528777 DTUMVDLETMFKHD-OAHLLOKOSA-N 432.571 2.774 0 40 IFAB O=c1cc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccc(O)cc2o1 23424478 GKWSMYJGBWEXQO-UHFFFAOYSA-N 434.901 2.659 0 40 IFAB Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)NCCc2nc3ccccc3s2)cc1 23473051 GBEBFNKFKXFHJW-OAQYLSRUSA-N 438.597 2.927 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCCCN1CCCC1=O 32910354 OLVCVIISCVPXJM-UHFFFAOYSA-N 436.537 2.607 0 40 IFAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 35840362 BZEPJWXKQNVYGN-UHFFFAOYSA-N 444.875 2.597 0 40 IFAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 36393310 AWQNXOYBQGUUBS-HXUWFJFHSA-N 428.489 2.754 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cccc(Cl)c3)C3=C2COC3=O)cc1 49403000 ALBLFTCBSAQWCI-IBGZPJMESA-N 427.844 2.865 0 40 IFAB CCn1cc(NC(=O)C2CCN(CC(=O)Nc3c(C)nn(-c4ccccc4)c3C)CC2)cn1 58201330 SSNLBQUAGKBJCX-UHFFFAOYSA-N 449.559 2.995 0 40 IFAB C1=CC[C@H]([C@H]2NC3=NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)CC1 59619754 KWRZLJDGRAGQCY-UGKGYDQZSA-N 435.576 2.610 0 40 IFAB CN1C(=O)C[C@@H](C(=O)N2CCC(C)(CN3CCOCC3)CC2)[C@@H]1c1cccc(Cl)c1 95441796 LQQQNNHDHNHXBN-CTNGQTDRSA-N 433.980 2.820 0 40 IFAB COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccco4)CC3)O2)cc1 96036681 CHUBVXRECMWZMV-OAQYLSRUSA-N 436.512 2.691 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 102897775 CFUAPFMZRLYIIQ-ZIAGYGMSSA-N 435.406 2.790 0 40 IFAB CCOc1cc(/C=c2/s/c(=C\C(=O)c3ccc(OC)cc3)[nH]c2=O)cc(Cl)c1O 105630594 MBBUOJKHXBVCIJ-PAUOAVIZSA-N 431.897 2.695 0 40 IFAB Cc1cccc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)c1 107602934 PUBINAJQZFJNLA-UHFFFAOYSA-N 427.505 2.966 0 40 IFAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NCC(C)C)cc1OC 217424535 ZTIVCSPTMWTDCW-UHFFFAOYSA-N 436.530 2.991 0 40 IFAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220626944 NNEJUIQBQRKBKN-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1 224312406 ULALBCHAGBANLH-UHFFFAOYSA-N 445.585 2.581 0 40 IFAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 224904726 HEPDWOHXPMREHQ-UHFFFAOYSA-N 433.530 2.709 0 40 IFAB COc1ccc2cc(S(=O)(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)ccc2c1 225098471 LFAZGSQORUBELC-UHFFFAOYSA-N 446.550 2.850 0 40 IFAB CO[C@@H]1CCN(c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)C1 245174043 YHSNRHSEURHWGO-HXUWFJFHSA-N 428.554 2.990 0 40 IFAB CCOc1cc(CN2CC[C@H](Cc3nccnc3-c3ncc[nH]3)C2)ccc1OCC(=O)O 257336473 YOPWKIOGGXHEBZ-QGZVFWFLSA-N 437.500 2.793 0 40 IFAB CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3cc(C)ccc3Br)C2)O1 306124255 BKSDBFAZXMCGRK-PXNSSMCTSA-N 440.382 2.827 0 40 IFAB Cc1ccc(-c2nnc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 408713910 CMGOCXMLFRUTFD-UHFFFAOYSA-N 448.932 2.978 0 40 IFAB Cc1nc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)nn1-c1n[nH]c(C(F)(F)F)n1 579160299 GOLJFBBDBOCHME-UHFFFAOYSA-N 437.361 2.630 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCc3ccccc3[C@@H]2C(N)=O)sc2c1CC[C@@H](C)C2 609355643 YHINELRGZZWFGQ-ZUOKHONESA-N 441.553 2.683 0 40 IFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(Cn2cc(Br)cn2)C1 1889224953 HZMBEAVSWTUDKR-UHFFFAOYSA-N 440.241 2.865 0 40 IFAB CCCn1c(SCC(=O)Nc2cccc3ccccc23)nc2c1c(=O)n(C)c(=O)n2C 880824 ULXKAOBIASWPIO-UHFFFAOYSA-N 437.525 2.728 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3407644 SQYVHPQIXJCYDB-UHFFFAOYSA-N 441.509 2.847 0 40 IFAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O 3471681 XZJWOLFNJBUJJX-UHFFFAOYSA-N 438.436 2.853 0 40 IFAB CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 4897675 UNPSUWBGBAYNQY-JOCHJYFZSA-N 425.504 2.602 0 40 IFAB CCCn1c(COC(=O)C2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 8720013 FYMDPNQPZOFXBL-UHFFFAOYSA-N 435.546 2.701 0 40 IFAB COCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=Cc3ccc4cccnc4c3N1[C@@H]2C(=O)C(C)(C)C 8992236 HJLLEAXAUCBGJM-WIRSXHRWSA-N 433.508 2.682 0 40 IFAB CCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2cccc(C)c2O)c1C(=O)OCC 9442798 WLUIMNLLHHLGSI-UHFFFAOYSA-N 433.413 2.751 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H](CC)Oc1ccccc1)n2CCC 9466383 NDRFBPIYKZBNHO-QGZVFWFLSA-N 442.516 2.997 0 40 IFAB CCOc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)cc1 9517136 GHUBQWAQQQWCAI-LJQANCHMSA-N 437.543 2.568 0 40 IFAB COCCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1(C(=O)Nc2ccccc2)CCCC1 9580665 QNFFCJKFMRNOFG-UHFFFAOYSA-N 449.507 2.709 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSC1=NS(=O)(=O)c2cc(F)ccc2N1 9762007 RMGGYNQVLPSADF-UHFFFAOYSA-N 437.474 2.845 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9779330 DGYNNLVMWCIKHR-UHFFFAOYSA-N 430.526 2.905 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c2ccccc2O1 9869922 FYBKFWOJTSLKMF-VGSWGCGISA-N 429.476 2.733 0 40 IFAB O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9980748 BQHPNGRFUHQDBH-UHFFFAOYSA-N 430.461 2.915 0 40 IFAB CC1CCN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2Cc2ccco2)CC1 11374113 LZICJKFVGKMOPY-UHFFFAOYSA-N 434.566 2.872 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1F 12629531 YITSHIDIJUQKEM-FQEVSTJZSA-N 442.516 2.863 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc1 12682587 QMZRZBLWTHKDHJ-LBPRGKRZSA-N 435.402 2.610 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccc2c(c1)OCCCO2 12685597 YCNCJRNQACQMQK-OAQYLSRUSA-N 427.482 2.632 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 12772257 YNNKTJJSIURSAZ-UHFFFAOYSA-N 444.447 2.898 0 40 IFAB CN(C)CCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 13670531 SVQMNVZXIUGDSF-UHFFFAOYSA-N 430.357 2.867 0 40 IFAB CCCCn1c(N)c(N(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)c(=O)[nH]c1=O 18119171 UKYBVHOXCQZJTK-UHFFFAOYSA-N 441.513 2.509 0 40 IFAB O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)no1 19339937 SPQXVOYSUJTNTK-KRWDZBQOSA-N 432.546 2.948 0 40 IFAB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccc(O)c(Br)c2)N1)OCCCO4 19354123 FNAJAHKXMAKNQM-INIZCTEOSA-N 430.262 2.762 0 40 IFAB NC(=O)C1(N2CCCCC2)CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)CC1 19405693 VWOHTFCQVFQPFG-FQEVSTJZSA-N 436.560 2.700 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@H]2CCCO2)C1 19448781 JAEOATFFBBKYPG-RDGATRHJSA-N 436.556 2.999 0 40 IFAB COc1cc2cc(N)c(C3CCN(C(=O)CN4C[C@H](C)O[C@@H](C)C4)CC3)nc2cc1OC 19497399 JDDFZLLWTILDIX-HOTGVXAUSA-N 442.560 2.649 0 40 IFAB COc1ccc(CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)c(OC)c1 19552168 XZIGONKQGPTGAK-NRFANRHFSA-N 428.533 2.512 0 40 IFAB CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(C(=O)c2ccnc(N3CCCC3)c2)C1 19739245 CMEPMOINDBMNMR-HSZRJFAPSA-N 425.533 2.614 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19742026 LRISQBKFRBVVSN-MRXNPFEDSA-N 430.530 2.537 0 40 IFAB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1cccc(I)c1 20151784 XXJGQFFJFKWSQJ-UHFFFAOYSA-N 442.234 2.822 0 40 IFAB CCCNC(=O)CNC(=O)c1ccccc1SCC(=O)Nc1ccc(OC)c(OC)c1 24178460 YJVNUWUIUIOTTC-UHFFFAOYSA-N 445.541 2.691 0 40 IFAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NCc3ccco3)nnc2N2CCOCC2)cc1 24982747 VXCFEGFDSVDKTQ-INIZCTEOSA-N 427.530 2.802 0 40 IFAB CC(=O)N[C@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)c1ccccc1 27285065 SGFJJTWBCXCULW-DENIHFKCSA-N 448.523 2.698 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@H]1c1ccco1 27734364 QUYSDOCEMUOGKH-KRWDZBQOSA-N 428.832 2.514 0 40 IFAB CN(CC(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 30555930 YOJQBIIUKZFFDV-UHFFFAOYSA-N 435.977 2.873 0 40 IFAB CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2c1c(C)nn2CC 35374217 GHXZRZVLKJHIMV-UHFFFAOYSA-N 435.484 2.530 0 40 IFAB Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 36614717 FJDGGBQKRCPNKH-UHFFFAOYSA-N 438.553 2.981 0 40 IFAB COc1nn(C)cc1C(=O)N(C[C@H]1CCCO1)c1nc2c(OC)ccc(OC)c2s1 38840394 BZVRYTPJKPSNQN-GFCCVEGCSA-N 432.502 2.881 0 40 IFAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Cc2sc(S)nc2C)CC1 40033896 POGYATFEZORMEW-QGZVFWFLSA-N 439.990 2.995 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 48324948 GRYJLPYGFYBDFQ-IAGOWNOFSA-N 448.539 2.602 0 40 IFAB CCOC(=O)c1ccn(-c2ccc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)cc2)n1 57986522 XXZTUMFBUYXEFU-UHFFFAOYSA-N 434.452 2.951 0 40 IFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 58170315 HTVTXPMKDBGUJA-UHFFFAOYSA-N 432.480 2.928 0 40 IFAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)N[C@@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 67288901 DJCXHLMRMSEOHT-AUSIDOKSSA-N 431.492 2.984 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2[C@H](NC(=O)c2ccc(OC)nn2)C(C)C)nn1 89801796 KOJBEUIPQFRLGE-HXUWFJFHSA-N 436.472 2.663 0 40 IFAB CCc1nc(C(=O)Nc2cc(C(=O)O)cc(S(C)(=O)=O)c2)nn1-c1ccccc1Cl 95425592 SJSNYTVUPLRQTB-UHFFFAOYSA-N 448.888 2.837 0 40 IFAB C[C@@H](CNC(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1)c1ccccc1 96225754 IILNLLYSRZPFQV-KSFYIVLOSA-N 445.516 2.655 0 40 IFAB CN(CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccccc1 219253920 LCLZDUCPUBTKTD-UHFFFAOYSA-N 433.549 2.620 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 222905311 SBAPMQTZUZGVBY-UHFFFAOYSA-N 446.525 2.838 0 40 IFAB C[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 223886346 ZPGABBRSOFCQNZ-LBPRGKRZSA-N 444.962 2.630 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1F 224508070 ZNAVCZUGOVEVOS-UHFFFAOYSA-N 437.512 2.643 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 225486495 QFANNGZCSZBWKJ-UHFFFAOYSA-N 445.541 2.644 0 40 IFAB Cc1noc(C)c1CC(=O)N[C@@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257233377 GPBAEBUMEKQHMV-QCHBXWKSSA-N 442.556 2.948 0 40 IFAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584499 QNXACHYHROMPBF-QGZVFWFLSA-N 425.348 2.863 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)S(C)(=O)=O)cc1 409253570 WZWNABINHMXODF-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB O[C@H](C1CCN(c2cc(N3CCC([C@@H](O)C(F)(F)F)CC3)ncn2)CC1)C(F)(F)F 533335528 SVNAULIAYVKKFR-HZPDHXFCSA-N 442.404 2.756 0 40 IFAB CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2OCCN(C(C)C)C1=O 643562074 NFACGMMRALVCRC-CUWPLCDZSA-N 431.577 2.991 0 40 IFAB O=C(c1coc(C(F)(F)F)n1)N1CCCN(C(=O)c2coc(C(F)(F)F)n2)CC1 678803027 DGOKZDASIRFKDS-UHFFFAOYSA-N 426.273 2.689 0 40 IFAB O=c1c2ccc(F)cc2ncn1CC1CCN(S(=O)(=O)CCc2ccccc2)CC1 1889019367 JJJSHFQANHLYHR-UHFFFAOYSA-N 429.517 2.820 0 40 IFAB COc1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c(OC)c1 652928 BQHVNWGIILCATN-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 1265637 FSDVFKQPQPEWGZ-UHFFFAOYSA-N 446.598 2.512 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)cc1 1365495 KUMLJMXDIDVYRM-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB CCOC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCC2 3273551 IAYCKLOJFJKPGR-UHFFFAOYSA-N 436.555 2.981 0 40 IFAB Cc1ccccc1OCCOc1ccc(Oc2nc(N(C)C)nc(N3CCCC3)n2)nn1 9201798 RZFMOCHWLWWFGX-UHFFFAOYSA-N 437.504 2.886 0 40 IFAB COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC 9291812 ZQYFANJABMELKC-IBGZPJMESA-N 425.437 2.665 0 40 IFAB biogenic COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)c1 9409660 NLBUSGYDKDNNBP-GJYPPUQNSA-N 442.365 2.947 0 40 IFAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9578070 AZMCQKQGDNOEMV-QGZVFWFLSA-N 437.562 2.557 0 40 IFAB Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1Cl 9599487 USBKRFSKBBEVKJ-UHFFFAOYSA-N 433.877 2.890 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2F)cc1 9744992 NCANMSNYXKDTRV-KRWDZBQOSA-N 447.532 2.822 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)C2CC2)cc1 9777806 SSCOJPOAVROAQU-QHCPKHFHSA-N 443.450 2.932 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 9969260 KVCNAGMPDZBJBN-HXUWFJFHSA-N 444.509 2.730 0 40 IFAB Cc1nc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)sc1C(=O)NCC(C)C 11914124 NFUAECMWAQCQTD-UHFFFAOYSA-N 429.477 2.775 0 40 IFAB COc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1OC 12645065 BFEVGUKIRQIFHH-UHFFFAOYSA-N 426.498 2.561 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 12696051 DKGLWDGJPUXVBN-UHFFFAOYSA-N 428.514 2.525 0 40 IFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2)no1 12758806 XNDQNEHATXPYHF-UHFFFAOYSA-N 432.480 2.611 0 40 IFAB COC(=O)c1cccc2c1CCCN2C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12920371 PRMCWAJAIDCNLC-UHFFFAOYSA-N 436.917 2.727 0 40 IFAB COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 13085247 OFMBVLZHCMLFMF-OAQYLSRUSA-N 438.528 2.555 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 14313186 WZDVBRJUFZTZCL-ZDUSSCGKSA-N 441.347 2.956 0 40 IFAB O=C1CCCN1c1ccccc1NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 15361518 KVGIRHYIIGWGFL-GOSISDBHSA-N 433.574 2.574 0 40 IFAB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 15882600 JMIPTCNFUUCHDE-NRFANRHFSA-N 444.491 2.665 0 40 IFAB CCN(CC)C(=S)SCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 16754648 AOVBRNSCGBANQG-UHFFFAOYSA-N 429.633 2.576 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1cccnc1)C2 19695624 NQNKJRVDHGLXGP-NRFANRHFSA-N 432.503 2.894 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)COc2ccccc2F)nc2c1CN(C(C)=O)CC2 19710278 JYTDQEXQYVZEFJ-IBGZPJMESA-N 441.507 2.695 0 40 IFAB CN1C(=O)C[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@@H]1c1ccccc1 20427299 JOCUEBGLTXSEOI-KSSFIOAISA-N 429.523 2.858 0 40 IFAB CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@@H](C)[C@@H]2[C@H]1O 20466925 ZKOUFEFTQCQHOR-IINMDLNZSA-N 430.593 2.903 0 40 IFAB biogenic,in-vitro O=C(NCc1ccc(-n2ccnc2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 22524501 BDTQCJJZRDQGSJ-KRWDZBQOSA-N 430.555 2.651 0 40 IFAB COC(=O)c1ccc2c(=O)n(C[C@@H](c3ccc(OC)cc3)N3CCCCC3)c(=O)[nH]c2c1 24939748 IVDJRYFRYKOPCI-NRFANRHFSA-N 437.496 2.712 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(c2nccs2)CC1 29986891 GFRDVMYCTUEYLU-ZDUSSCGKSA-N 435.347 2.607 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 30853913 BGHPFHBSPVKUOR-KRWDZBQOSA-N 442.541 2.742 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[C@@]1(C)NC(=O)NC1=O 32926324 ZEMODIGXISNAFV-QGZVFWFLSA-N 443.403 2.569 0 40 IFAB C[C@@H](NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(F)cc1 36386003 HORPRMLPRRCONZ-HZPDHXFCSA-N 437.512 2.537 0 40 IFAB CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 36393162 HENRYFNHCFGHTP-UHFFFAOYSA-N 428.963 2.624 0 40 IFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C2=O 48285861 FDBPCJUTUDNBMA-SSSUMRQXSA-N 427.545 2.849 0 40 IFAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)cc1 56997695 RYICIPGEZYOPOI-UHFFFAOYSA-N 448.564 2.665 0 40 IFAB CCN(c1cccc(CO)c1)S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 58245013 ZPYJHWSQLFRQRN-MDZDMXLPSA-N 435.498 2.598 0 40 IFAB COc1ccc(C)cc1NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316850 ARLFJSQSNIVUGE-UHFFFAOYSA-N 425.460 2.848 0 40 IFAB CS(=O)(=O)Cc1noc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 72305146 KCXHIHWREWHKEJ-CQSZACIVSA-N 447.344 2.914 0 40 IFAB COc1cc(CC(=O)N2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc(OC)c1OC 72395246 WXKFGNOESDMREH-LJQANCHMSA-N 428.529 2.915 0 40 IFAB Cc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 89651197 MZCUCXXOGFPYEU-UHFFFAOYSA-N 440.525 2.669 0 40 IFAB C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2)C1 95456112 ALBLZTDCLVJBTB-HTAPYJJXSA-N 449.555 2.991 0 40 IFAB Cc1ccc(SCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 95482533 ASTJUBSDKZOLGV-UHFFFAOYSA-N 447.626 2.762 0 40 IFAB CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)ccc21 96321932 ORNBCXAMXWJGKV-UHFFFAOYSA-N 447.582 2.993 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 223060289 VZOBOFMBYJJCIA-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223607127 GGLVYPIQGZCDCZ-LJQANCHMSA-N 445.585 2.623 0 40 IFAB COC(=O)CSc1nnc(NC(=O)c2cccc(I)c2)s1 224968468 SKFQBCLRHWKWGW-UHFFFAOYSA-N 435.268 2.660 0 40 IFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C1 247797111 CZRQCSFQSMBRPC-PSHVLCQKSA-N 433.556 2.888 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)on1 257207841 BJOPLYXZQAYBFI-BRWVUGGUSA-N 432.546 2.573 0 40 IFAB COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC1(O)CCN(C(C)=O)CC1 257267048 MFSWPDJOMSWYSJ-HXUWFJFHSA-N 447.576 2.662 0 40 IFAB NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CCCc3nc4cc(F)ccc4[nH]3)C[C@H]2O)c1 257273724 NHWZUSVRNSYTRH-NHCUHLMSSA-N 449.486 2.523 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1Cl 260839083 HSPVJBPQUIJOPD-MRVPVSSYSA-N 436.968 2.715 0 40 IFAB Cc1ccc(CNC(=O)c2nc([C@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)cc1 306142730 XHTUABMXCZAGFF-SFHVURJKSA-N 426.542 2.712 0 40 IFAB COC[C@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408629557 DJDRTXAGTWKVMV-AWEZNQCLSA-N 441.347 2.796 0 40 IFAB NS(=O)(=O)c1cccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 509047680 KSVPJLGIWBWZCG-OAQYLSRUSA-N 437.521 2.512 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(c4ncc(Br)cn4)CC3)cnc2c1 1889191863 AGEAGKGDKPLWAE-UHFFFAOYSA-N 430.306 2.874 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2N)cc1OC 3373154 AFLURPFIHQWHSM-UHFFFAOYSA-N 425.514 2.748 0 40 IFAB O=C(Cn1ncc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 8725927 DBELYQDGXFKTPS-UHFFFAOYSA-N 432.402 2.891 0 40 IFAB COc1ccc(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC 8764331 GVYPGOIJGDMLAA-UHFFFAOYSA-N 443.500 2.818 0 40 IFAB biogenic COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 8942136 MYWZLJKVZVFIAZ-MRXNPFEDSA-N 430.526 2.966 0 40 IFAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9207641 IDEJLBCUTKCJIS-UHFFFAOYSA-N 442.541 2.649 0 40 IFAB CN(CC(=O)NCc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 9670202 XGTHAHBILUCMLZ-UHFFFAOYSA-N 429.480 2.975 0 40 IFAB CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)c1 9815083 AQKJIURKCXFHCC-UHFFFAOYSA-N 449.510 2.575 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 10009172 KNLSOAOBGUVENE-YWZLYKJASA-N 445.541 2.771 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cc1 10187049 YQTPEXYCICMRLU-CQSZACIVSA-N 434.499 2.599 0 40 IFAB CCCn1nc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c2ccccc2c1=O 11010106 JPSJKRJDNVCHSD-UHFFFAOYSA-N 434.544 2.991 0 40 IFAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 12552785 GTYBYQKSGJGAGX-INIZCTEOSA-N 439.541 2.942 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(SCCCC(=O)c3ccc(F)cc3)nc2)CC1 12609469 KORKQBZUISNDDJ-UHFFFAOYSA-N 437.562 2.912 0 40 IFAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12736644 AVFUUBBZRNHBBV-SFHVURJKSA-N 429.473 2.826 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 12767872 XGKGUYCXGVWECS-UHFFFAOYSA-N 426.878 2.622 0 40 IFAB O=C1COc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Br)cc4)C3)cc2N1 12853463 XSRUJGVLLVEENA-NSHDSACASA-N 430.258 2.772 0 40 IFAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4oc5ccccc5c4c3)c2)CCN1 12920918 PACFBYRLQAQZAP-UHFFFAOYSA-N 449.488 2.959 0 40 IFAB Cc1nc(SCC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c2c3c(sc2n1)C[C@@H](C)CC3 13510578 SCJKFMLCWDDLKT-QMMMGPOBSA-N 431.543 2.540 0 40 IFAB COc1ccc(C)cc1-n1nnnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 14185224 FKWPQWRPJZHMOX-IBGZPJMESA-N 425.514 2.672 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nnc(SCc2ccc(F)cc2)s1 18087436 JZAUDPRTPXJYRR-KBPBESRZSA-N 432.502 2.859 0 40 IFAB c1ccc(CN2CCc3c(nc(N4CCOCC4)nc3N3CCN4CCCC[C@H]4C3)C2)cc1 19372373 LHYIZWNTNSDNFE-QFIPXVFZSA-N 448.615 2.546 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 19448701 LQRXMYZTBIHZDA-NVQXNPDNSA-N 448.567 2.703 0 40 IFAB CC(C)NC(=O)CN1CCN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 19449905 JBLOREVWVBTKNA-UHFFFAOYSA-N 428.587 2.975 0 40 IFAB Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CCCN2Cc1ccc(F)cc1 19705744 IFBOEQTUJGCYKP-UHFFFAOYSA-N 447.580 2.863 0 40 IFAB Cc1nonc1NC(=O)CN1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744134 IUIARSFRWQMKIY-OAQYLSRUSA-N 439.560 2.900 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 20050009 SEKBKGRWCJJOLW-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(F)cc1 20328685 MADVTBSILUBXBR-SFHVURJKSA-N 436.436 2.610 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)n(CC(C)C)c(=O)n(CC(C)C)c1=O 20612228 ZSWBXUKXGMQWOZ-NRFANRHFSA-N 440.544 2.753 0 40 IFAB biogenic CCOc1cccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1 22398698 DDTZSTFYSJPMMZ-UHFFFAOYSA-N 431.514 2.617 0 40 IFAB CCCNC(=O)Cn1nc2c(c1NC(=O)C(=O)c1c(C)[nH]c3ccccc13)CSC2 23138795 FFKJWMKIJGDIOB-UHFFFAOYSA-N 425.514 2.767 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1 23141819 TUJDAWLXZQCZJV-UHFFFAOYSA-N 449.602 2.516 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@@H]1CCCc2ccccc21 32764681 ADURXVVVMILNDX-KRWDZBQOSA-N 434.583 2.548 0 40 IFAB CS(=O)(=O)N1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 32771089 KBYFSLXTOYMSJJ-UHFFFAOYSA-N 429.380 2.801 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1C 64817668 ADQINNCHZOMWBQ-UHFFFAOYSA-N 449.486 2.823 0 40 IFAB Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO 67316652 GSBHGXGICDEBGG-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB CCCS(=O)(=O)Nc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)c(F)cc1F 72271979 HAIVZNYQDLQDCX-UHFFFAOYSA-N 432.470 2.852 0 40 IFAB Cc1nc(Cn2ncc3ccccc3c2=O)cc(NCC2(N3CCOCC3)CCCCC2)n1 72373213 LPMAIUFYRBCMPE-UHFFFAOYSA-N 448.571 2.990 0 40 IFAB Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)n1 79062657 GTWSGWSKGIGBTE-MRXNPFEDSA-N 433.555 2.932 0 40 IFAB COc1ccc(CCc2n[nH]c(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)n2)cc1 95477773 LIQQQGVONOYABE-MRXNPFEDSA-N 435.484 2.599 0 40 IFAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc2NC1=O 96221674 AVHSETZSFQBAMU-KRWDZBQOSA-N 441.509 2.904 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1cc(C)cc(C)c1 224079752 DDZIKCFFENWBLQ-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCSCc1ccccc1 224551317 OEIHVAFTLDQDGC-UHFFFAOYSA-N 436.599 2.928 0 40 IFAB O=C1NCCN1CCOc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 257287408 PPVZQPFXGJLHGP-UHFFFAOYSA-N 443.519 2.636 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 257339272 ZAZXEIRXQJORKQ-GOSISDBHSA-N 426.546 2.680 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4ccccc4F)C[C@H]23)n1 1549163045 YDZCMSZVYNYBON-SFHVURJKSA-N 440.479 2.632 0 40 IFAB CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3(C)C)ccc2c1=O 1597415596 SCPDPSODOCQLAF-INIZCTEOSA-N 430.505 2.640 0 40 IFAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCCC3)C[C@H]2NC(=O)Nc2ccccc2)[nH]1 2332241772 FTDRQUGEJIRAGC-ONCXSQPRSA-N 425.533 2.810 0 40 IFAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC(c1ccccc1)c1ccccc1 3338251 WSQDWFDRQGWFGI-UHFFFAOYSA-N 428.444 2.732 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)N1CCCC1)OCCO3 6445219 CBFCJGUFYOBPTM-OAQYLSRUSA-N 436.516 2.976 0 40 IFAB Cc1nn2c(=O)[nH]c(SCC(=O)NCc3ccc4c(c3)OCO4)nc2c1-c1ccccc1 9107517 DDPBLOMLKDSBBH-UHFFFAOYSA-N 449.492 2.530 0 40 IFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 9180990 OJBIWGHABJYQEN-QHCPKHFHSA-N 431.488 2.782 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2=O)c(OC)c1 9257741 RJOQMCWWTOCMTB-INIZCTEOSA-N 428.485 2.733 0 40 IFAB COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(C)c(Cl)c2)CN=3)cc1OC 9462482 UISUVECEPTYHOS-OCKHKDLRSA-N 429.929 2.772 0 40 IFAB COc1ccc(N2CCn3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc32)cc1 9574034 VLSFJADJOSWTTO-UHFFFAOYSA-N 425.470 2.898 0 40 IFAB Cn1c(=O)c2c(nc(OCc3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 9635805 GNIVAXNOYAXVLO-UHFFFAOYSA-N 435.267 2.961 0 40 IFAB O=C([C@H]1CN(C(=O)/C=C/c2nc3ccccc3s2)c2ccccc2O1)N1CCOCC1 9738998 GFYZEOLQRTXNKF-JBVUFVISSA-N 435.505 2.963 0 40 IFAB O=C(O)C[C@H](CNS(=O)(=O)c1ccc(I)cc1)c1ccccc1 12375972 QDEDOJNRRGQMJU-CYBMUJFWSA-N 445.278 2.828 0 40 IFAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)cc1 12767268 NQVPCERSUYAZCS-JOCHJYFZSA-N 436.424 2.527 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)c3ccc(CCCNC(C)=O)cc3)ccc21 12987529 WPFHXCYMMPHTOC-UHFFFAOYSA-N 449.507 2.833 0 40 IFAB O=C(NCCCn1ccnc1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 13691581 LOEGQDNMRKFIIN-UHFFFAOYSA-N 438.981 2.828 0 40 IFAB CC(C)C(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4cccnc4)CC3)c2c1 19086249 UGJURGZNNNGHIL-UHFFFAOYSA-N 435.528 2.622 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)C1CCCC1)C2 19701286 NXNGUJYOLMUZOY-OAQYLSRUSA-N 439.535 2.524 0 40 IFAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)C4CCCC4)CCO3)nc3ccccc23)CC1 19759552 BJLNGQVQYSQSNP-HSZRJFAPSA-N 436.556 2.713 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244624 LXOJCLULRZQQAX-UHFFFAOYSA-N 433.530 2.732 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)ccc1OC)C(=O)OC 20762915 YQDYWYLIQHDLLL-ORPRQENYSA-N 430.505 2.672 0 40 IFAB biogenic O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)NCCCN1CCOCC1 23289047 AKZZHWAXHZXWGO-VWLOTQADSA-N 446.551 2.942 0 40 IFAB CC(C)(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 28059953 QYDILFMBNUWGPD-UHFFFAOYSA-N 427.570 2.929 0 40 IFAB CCCCn1c(CN2CCC[C@H](C(N)=O)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 32836043 QMSVLIUFCJGZPQ-KRWDZBQOSA-N 449.621 2.564 0 40 IFAB O=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)[C@@H]1Cc2ccccc2CN1 35485637 WYGKXRDKUALKAK-XUZZJYLKSA-N 443.503 2.968 0 40 IFAB CCN1CCN(c2ccc(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)OC)cc2)CC1 39984910 XKKYGPCENBABDQ-UHFFFAOYSA-N 426.517 2.635 0 40 IFAB C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 40117696 GTWMSSJOHGPUIS-DYVFJYSZSA-N 427.432 2.679 0 40 IFAB O=C1C[C@H](C(=O)NCCc2ccccc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399378 WTGZRFDBCLHIFS-INIZCTEOSA-N 437.887 2.952 0 40 IFAB COc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 44838630 LLIFSMQNLMXJOO-UHFFFAOYSA-N 426.922 2.748 0 40 IFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C1 48262954 GLXRWXJCENMNNO-INIZCTEOSA-N 440.541 2.890 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1c(C)cccc1C 64817641 ZHTRJSOYQPZKIX-UHFFFAOYSA-N 445.523 2.992 0 40 IFAB O=S1(=O)CC[C@@H](c2nnc(C3(c4cccc(Br)c4)CCOCC3)o2)C1 71889886 NEBHHTUHBCDLMI-GFCCVEGCSA-N 427.320 2.831 0 40 IFAB Cc1cc(C)n([C@@H](C)C(=O)NCCN(CC(F)(F)F)C(=O)[C@@H](C)n2nc(C)cc2C)n1 72292812 GZOOHKPKXPTBBY-DLBZAZTESA-N 442.486 2.643 0 40 IFAB O=C(c1ccccc1O)N1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 72308216 KDJCDXBALDKTSF-SFHVURJKSA-N 433.430 2.974 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)Cc4cnn(C)c4C)nc32)c1 72371028 XXHSKGPDUGBVSI-UHFFFAOYSA-N 434.544 2.947 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4sc(C)nc4C)C3)ncn2)n1 90593042 BSJYAPBKEFGBBK-KRWDZBQOSA-N 425.562 2.885 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)sc1CC(C)C 95472828 NAIJMVLRYDHVJL-LBPRGKRZSA-N 441.513 2.996 0 40 IFAB CCOC(=O)c1s/c(=N\C(=O)c2ccccc2I)n(C)c1C 100837639 JSDOPJLBZPLDQJ-ICFOKQHNSA-N 430.267 2.917 0 40 IFAB COCCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(C(=O)OC)ccc21 100872430 PAWQWELMCVHELN-FCQUAONHSA-N 438.461 2.983 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc5c(c4)OCO5)no3)C2=O)cc1C 101277565 YWTYAKGXNIBBRR-MOPGFXCFSA-N 446.423 2.576 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1=O 103054647 RVKCMPYSZJYMFU-BVPSZOQCSA-N 428.529 2.921 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C2)cc(C(=O)OC)c1 104234562 KPXKEYGMVTYBJQ-OJFPTFHUSA-N 430.501 2.872 0 40 IFAB C[C@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)cc2)C1 108156065 ALBLZTDCLVJBTB-JTSKRJEESA-N 449.555 2.991 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222508793 REBJWNBLELBPDO-INIZCTEOSA-N 427.885 2.761 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCC2(c3ccccc3)CCOCC2)cc1 222831398 CIYFJAAUGGGSQC-UHFFFAOYSA-N 448.610 2.894 0 40 IFAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 224198215 NEOZKYOBYCWXTF-UHFFFAOYSA-N 436.599 2.982 0 40 IFAB Cc1cccc(C2(CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CCOCC2)c1 225093498 MGLAICVWPKGUKC-UHFFFAOYSA-N 442.537 2.675 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 247725510 CNHLSXAQEJPQCA-ZCVTWQBDSA-N 444.535 2.752 0 40 IFAB COc1cccc([C@@H]2C[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)c1 257223712 DYOWFKLOOHYUFQ-XTYQPILXSA-N 447.601 2.607 0 40 IFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CC(=O)Nc2cnn(C)c2C)c1 257234613 GUIWEVRLGARPKH-HFMPRLQTSA-N 439.560 2.940 0 40 IFAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)C1 257273506 NGWCYGCWKNLMAC-BVZFJXPGSA-N 448.523 2.944 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 260805437 CZHQXDHGBSGZEL-IBGZPJMESA-N 448.541 2.743 0 40 IFAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1 408620103 MXOQKMCKQNTYGV-UHFFFAOYSA-N 445.585 2.865 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 408701023 QEMGTPRKPCYWLH-UHFFFAOYSA-N 447.532 2.581 0 40 IFAB COCCNC(=O)CN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 409200563 IFBQLLIRWQAJHZ-WQRHYEAKSA-N 430.482 2.656 0 40 IFAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1ccccc1Cl 409376771 CUWFAQLXEJOHRR-HNNXBMFYSA-N 427.848 2.542 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1OC 585147308 RQKNCZYVGSDJLZ-HNNXBMFYSA-N 436.306 2.869 0 40 IFAB O[C@@]1(COc2cccc(F)c2)COCCN(Cc2ccc(OCCN3CCCC3)cc2)C1 585272328 MKHYOTBTTRNNRV-RUZDIDTESA-N 444.547 2.943 0 40 IFAB CCC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2sccc2C1 589075452 HFWGTLJMVBJXKA-KDOFPFPSSA-N 439.537 2.602 0 40 IFAB CCc1cc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)no1 643556981 RWNHKLZRDXSPNP-XMMPIXPASA-N 441.528 2.712 0 40 IFAB O=C(Cc1cccnc1)N1CCCN(c2ccc3nnc(-c4cccc(F)c4)n3n2)CC1 1775972172 CDPVDYCAUVRPPQ-UHFFFAOYSA-N 431.475 2.607 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O 2161273 ZAPZGWLDIUSHIH-LJQANCHMSA-N 438.871 2.610 0 40 IFAB biogenic COCCCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6238962 MFRVEPWEDMULGN-UHFFFAOYSA-N 429.498 2.763 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O 7470922 LYWHEIBOBJFNEN-HSZRJFAPSA-N 425.485 2.674 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8298246 FATZKUQQYDHMNU-WEYGHZABSA-N 447.539 2.686 0 40 IFAB biogenic,in-vitro CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2c(-c3ccc(OC)cc3)n[nH]c2=S)c1 8924969 NCABBERVFZHGCL-UHFFFAOYSA-N 448.526 2.754 0 40 IFAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccc(F)cc1)CCS3 8974270 WYRSCOVBVUJSIB-UHFFFAOYSA-N 438.484 2.921 0 40 IFAB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 9221036 UGXMCONZZQTVGC-QGZVFWFLSA-N 432.571 2.552 0 40 IFAB Cc1cccc(C(=O)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)c1 9430010 PKLCDNRZSFEVJU-HXUWFJFHSA-N 446.507 2.809 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 9525817 OEXTTXGJGITUKM-UHFFFAOYSA-N 438.889 2.644 0 40 IFAB COc1ccc(Br)cc1-c1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1C 9546102 QJTLLDWFHIQWEP-UHFFFAOYSA-N 441.285 2.910 0 40 IFAB CN(C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 9587201 XLQZVTWIXMLQHM-UHFFFAOYSA-N 435.457 2.884 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)n1 9874804 HYLWIWHLAMGLJH-OAQYLSRUSA-N 435.513 2.851 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(Cc3ccccc3)C(C)C)CC2)cc1 10929598 URZRLXBZTSHXMR-UHFFFAOYSA-N 429.586 2.739 0 40 IFAB CCCCNS(=O)(=O)c1cccc(NC(=O)CCn2cnc3sccc3c2=O)c1 11382175 BLZAVKXSCGDXMR-UHFFFAOYSA-N 434.543 2.565 0 40 IFAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 12165262 IAPURFYWWVBNBM-CABCVRRESA-N 434.566 2.871 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1OC 12237785 MDFXMDUZFYONLZ-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCN(C(C)=O)CC2)cc1 12341952 ZUNLADDWKFNMBZ-SFHVURJKSA-N 429.546 2.711 0 40 IFAB CCn1c(=O)n(CCC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c2ccccc21 12458954 HXLWAJZKULTKDK-INIZCTEOSA-N 449.507 2.937 0 40 IFAB COc1cc2nc(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)[nH]c(=O)c2cc1OC 12634816 LFDYJGDRZJPKGC-UHFFFAOYSA-N 440.475 2.604 0 40 IFAB CCCc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1CC(=O)O 12820771 NJCSHSRAUKGRBB-OAHLLOKOSA-N 446.529 2.542 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 13018479 RAJDBHAJUPISRG-ODCWNRFASA-N 446.507 2.706 0 40 IFAB COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 15381340 LAVAFEJIKNFRIA-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)CC1 15435218 ZGCBTRXYGBDFDY-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15612563 VGAQRFCPQLOGEW-INIZCTEOSA-N 445.516 2.992 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 18088607 WLMATAYCEIZJBZ-UHFFFAOYSA-N 438.347 2.638 0 40 IFAB CCc1ccc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)s1 19522927 FFKVWOJFITWUHI-OAHLLOKOSA-N 444.557 2.656 0 40 IFAB COc1cccc(CC(=O)N2CCO[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19564412 XEMCHZFQMRPKSS-AREMUKBSSA-N 445.519 2.625 0 40 IFAB COc1cccc(CN2CCCc3c(C)nc([C@@H]4CCCN(S(C)(=O)=O)C4)nc32)c1 19706711 SSQUXKAWKUEOFC-GOSISDBHSA-N 430.574 2.885 0 40 IFAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)COc1cccc3c1OC(C)(C)C3)C2 19707472 YOVQDWMXPSVKAA-QGZVFWFLSA-N 437.544 2.620 0 40 IFAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(OC)c(OC)c3)c(CC)nn12 20797671 QOFFHBRWKOVJRM-UHFFFAOYSA-N 442.472 2.653 0 40 IFAB O=C(Cn1c(=O)cnc2ccccc21)OCc1cc2c(cc1Br)OCCO2 21372117 OPYGUIUUTQNOJK-UHFFFAOYSA-N 431.242 2.674 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccccc2Cl)cc1 22228808 LRUQHARXCBQESI-UHFFFAOYSA-N 437.949 2.668 0 40 IFAB COc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c(OC)c1 22333528 ZXQABYBKILLWDN-QGZVFWFLSA-N 448.541 2.888 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1nnc2ccccn12 22691069 UXLVISZLEKZBAD-NRFANRHFSA-N 437.525 2.502 0 40 IFAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 26110494 NEEUQRFQQLEWCC-KGLIPLIRSA-N 435.373 2.830 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 27551453 DCWHYNRPFPHBEU-OAQYLSRUSA-N 445.541 2.803 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 32868729 YNRRCJWYHPGHHX-AWEZNQCLSA-N 431.470 2.579 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 36448977 FZZDSMAQRASNAD-JOCHJYFZSA-N 427.570 2.630 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C2)cc(C(=O)OC)c1 37458320 KPXKEYGMVTYBJQ-FCZZECIWSA-N 430.501 2.872 0 40 IFAB CCn1nc(C)c(CNC(=O)c2nc(CC(=O)Nc3cccc4ncccc34)no2)c1C 40286940 CJOGNTMCYOFOFM-UHFFFAOYSA-N 433.472 2.562 0 40 IFAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(Br)cc1 48302718 BOFIKHYGYVRJKI-GOSISDBHSA-N 428.286 2.863 0 40 IFAB NC(=O)c1ccn(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)n1 58310113 OBMXBJUJVCIYMO-INIZCTEOSA-N 432.484 2.854 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3nnc4n3CCC4)cc2)c1 58828811 VOLULXFIEUDPDZ-OAHLLOKOSA-N 435.484 2.741 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 67336811 AILPCQUJHIJNJG-UHFFFAOYSA-N 440.431 2.558 0 40 IFAB CCOC(=O)c1sc(N/C=C(\C(=O)OC)S(=O)(=O)c2ccc(OC)cc2)nc1C 67340392 RAPKRRRSMVXMJW-GXDHUFHOSA-N 440.499 2.537 0 40 IFAB COC(=O)CC1CCN(C(=O)c2csc(NCc3ccc(-n4cncn4)cc3)n2)CC1 71282176 JEWGCCQWPFGVKI-UHFFFAOYSA-N 440.529 2.751 0 40 IFAB Cn1c(=O)n(Cc2cc(NCC3(c4ccccc4)CCOCC3)nc(N)n2)c2ccccc21 72373328 BRAWCJDMCVBDDJ-UHFFFAOYSA-N 444.539 2.921 0 40 IFAB Cc1nccn1-c1ccc(=O)n(CCNC(=O)C2c3ccccc3Oc3ccccc32)n1 77197004 HHUWVLFCFWWPMP-UHFFFAOYSA-N 427.464 2.791 0 40 IFAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(SCCC(=O)OC)c1 89960377 KBFYTMAPFFPXOS-QGZVFWFLSA-N 428.576 2.875 0 40 IFAB CCN1CCN([C@H]2CCN(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 89977318 WJGCXLAAYCGWTC-INIZCTEOSA-N 437.491 2.558 0 40 IFAB COc1cccc([C@H](CNC(=O)c2cnc3sc(C)c(C)n3c2=O)N2CCCC2)c1 95462890 RHDRTCPUBSDQGK-IBGZPJMESA-N 426.542 2.948 0 40 IFAB CN1C(=O)C2(CCN(Cc3cccnc3)CC2)CC12CCN(C(=O)c1cscn1)CC2 96262361 MNFBWBYZRDSLNQ-UHFFFAOYSA-N 439.585 2.657 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 96306048 LFGJJGSBVDOBSX-UHFFFAOYSA-N 431.452 2.624 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 100278960 QJUQTUHYQBIKIC-UFRCIXKBSA-N 443.455 2.864 0 40 IFAB CSc1cccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 220064488 HQMXVLNTSHYSNR-UHFFFAOYSA-N 437.562 2.662 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223760046 PPHYCJMHVHBFKL-ZYSHUDEJSA-N 445.947 2.535 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccccc1OC 225868568 LKZXFXLQRDGQCB-UHFFFAOYSA-N 432.542 2.737 0 40 IFAB CCc1noc(C)c1C(=O)N(C)[C@@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@H]1O 257287669 PRACMEKGWZZRSN-PQNGQFLHSA-N 427.545 2.995 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(=O)OC)cc1Cl 408597312 UVRMBOAVZYKTRK-LBPRGKRZSA-N 440.905 2.831 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408651518 BEIDHJDAXHTFPR-BLMTYFJBSA-N 444.915 2.962 0 40 IFAB O=C(NCc1cccc(Cn2ccnc2)c1)C(=O)Nc1ccc(CCN2CCCC2)cc1 517849331 OBWADWDMAKBPOY-UHFFFAOYSA-N 431.540 2.825 0 40 IFAB CC(C)c1ccc(-n2cc(O)c(C(=O)NC[C@]3(N4CCOCC4)CCSC3)n2)cc1 524987579 NLUKIRAQAOQUSK-JOCHJYFZSA-N 430.574 2.639 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc2c(c1)NC(=O)CCN2C 525616279 NAPKGTXFQFNUOR-UHFFFAOYSA-N 445.317 2.904 0 40 IFAB CCOc1cc(S(=O)(=O)N(CC)Cc2ccccc2)c(OCC)cc1-n1cnnn1 1325308 PUOWHVYGLBXOII-UHFFFAOYSA-N 431.518 2.671 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 2391477 FOZWJHMEPVDZFK-SFHVURJKSA-N 431.533 2.575 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2CCc3ccccc32)c1C 3351643 QGJQWNRJHUOPPP-SFHVURJKSA-N 444.553 2.720 0 40 IFAB CCOc1ccccc1N1C(=O)N=C(O)[C@]2(Cc3ccccc3N3CCN(C)C[C@@H]32)C1=O 8974671 RJACSUWJZCCQGC-HYBUGGRVSA-N 434.496 2.872 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9341134 JJVSXKUKWDEISB-KRWDZBQOSA-N 446.916 2.860 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(F)cc2)cc1 9348199 OMZIHAOCTQUMMD-JOCHJYFZSA-N 435.455 2.973 0 40 IFAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)NC(=O)Nc1ccccc1F 9415970 LRNLEHVEOGQCNW-UHFFFAOYSA-N 445.491 2.740 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1C 9512081 HXQNAINWGQERFW-OAQYLSRUSA-N 444.553 2.735 0 40 IFAB CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859226 KYIWLCVIVOVHDH-GYSYKLTISA-N 425.201 2.575 0 40 IFAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12558678 DSJUNTWSSLLKFL-UHFFFAOYSA-N 448.907 2.812 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCCCC1 12565141 JTZGXNIDEZMAMC-LBPRGKRZSA-N 437.345 2.606 0 40 IFAB CC1CCN([C@@H](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 12919134 YTOFBJOXVUHVJU-HNNXBMFYSA-N 442.632 2.729 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 13009390 JCENXLBUTAIKRO-UHFFFAOYSA-N 440.573 2.661 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 13014305 KPOPINVAIQZROL-HXUWFJFHSA-N 433.823 2.656 0 40 IFAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 13164452 YIHLNSFFRQBQBT-QGZVFWFLSA-N 432.571 2.803 0 40 IFAB O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 14083077 NODIQMXXARLUDG-UHFFFAOYSA-N 436.434 2.894 0 40 IFAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)c1 14154779 FRWMMDZBCJQYSC-UHFFFAOYSA-N 429.542 2.750 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 14425244 HDEKFOHNXXREBZ-GOSISDBHSA-N 429.542 2.703 0 40 IFAB CCOc1ccccc1OCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 14572873 SETKQEATKQCIIN-KRWDZBQOSA-N 437.496 2.908 0 40 IFAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)c(Cl)c1)c(=O)n2C 15880430 SUSUAKJXWCFBBA-UHFFFAOYSA-N 437.283 2.748 0 40 IFAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1 17095003 WKBLKJKYBPCHLB-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB Cn1c(=O)c2c(nc3n2CCN3c2cccc(OCc3ccc(Cl)cc3)c2)n(C)c1=O 17148763 RSPRFSZDMGBGNN-UHFFFAOYSA-N 437.887 2.818 0 40 IFAB Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19133757 ZKNDLQHREJFFOK-DEOSSOPVSA-N 443.613 2.871 0 40 IFAB COCCc1nnc(NC(=O)c2cc(C3CCN(C(=O)C4CCCC4)CC3)no2)s1 19593886 VJXTVFLHQLGXCT-UHFFFAOYSA-N 433.534 2.864 0 40 IFAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3Cl)CC1)C2=O 19699519 GEMZQUPOAOILKI-UHFFFAOYSA-N 448.951 2.847 0 40 IFAB Cc1cc(O[C@H](C)C(=O)NCCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCCC3 20547461 QDHJVAGTTAYUOQ-QGZVFWFLSA-N 428.529 2.586 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 22961923 WBMCDQRDTOUATK-HSZRJFAPSA-N 441.597 2.544 0 40 IFAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 24882119 UMNFDERVYXKMRJ-UHFFFAOYSA-N 433.482 2.840 0 40 IFAB Cc1cc(N2CCN(C(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)nc(C(C)C)n1 26556885 SIVSMXKZNXVXJO-HXUWFJFHSA-N 437.544 2.988 0 40 IFAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 27022175 QLCYDYQZPZZDSA-KZBAPLJJSA-N 449.488 2.812 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)NCc3ccccc3CN3CCOCC3)CC2)cc1 29658301 AXWYYUVJOVRWDR-UHFFFAOYSA-N 436.556 2.753 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)N1CCN(c2ccccc2Cl)CC1 30616909 GXWGVCWMPMDESV-UHFFFAOYSA-N 434.974 2.991 0 40 IFAB O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32761331 IJWMSYXUGFWSMN-SJLPKXTDSA-N 441.553 2.826 0 40 IFAB O=C(NCCC(=O)N1CCCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 32879898 SFWHUFNYYPPOIN-UHFFFAOYSA-N 425.451 2.686 0 40 IFAB O=S(=O)(NCCOc1cc(N2CCCCC2)ncn1)c1ccc(OC(F)(F)F)cc1 35598397 LRSVSAHMKIDFQP-UHFFFAOYSA-N 446.451 2.723 0 40 IFAB O=C(NC1=NNC(c2ccc3c(c2)OCCO3)=CS1)C1=NN(c2ccccc2)C(=O)CC1 36625382 OARAILKYYKSAGS-UHFFFAOYSA-N 449.492 2.663 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(=O)OC)cc2)cc1C 39986202 AACMXRNNQKOQGC-UHFFFAOYSA-N 434.514 2.830 0 40 IFAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@@H](C)O1 40089330 FQJFHCLXHLFVGR-HZPDHXFCSA-N 438.521 2.574 0 40 IFAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccnc(N2CCCC2)c1 48234953 AIHTZTJIHBKMNC-UHFFFAOYSA-N 438.557 2.754 0 40 IFAB O=c1n(Cc2c(F)cccc2Cl)nc2ccc(S(=O)(=O)N3CCCCCC3)cn12 49408058 HXGJZNQWWHFSIL-UHFFFAOYSA-N 438.912 2.902 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1nc(-c2ccccc2)ns1 58208646 LHCVZRMLQMHVJC-UHFFFAOYSA-N 432.552 2.534 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2(c3ccc(F)cc3)CCCC2)c1 60102424 WCEHOIVKOLKQOG-UHFFFAOYSA-N 449.548 2.604 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 64988500 NFBWMCLKESVUAY-IBGZPJMESA-N 432.498 2.728 0 40 IFAB COc1cc(OC)c(NC(=O)c2cn(C[C@@H](O)c3ccccc3OC)nn2)cc1Cl 77197251 XOECCOUAUUNNGW-MRXNPFEDSA-N 432.864 2.943 0 40 IFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 79189308 VVEAUEIOLRLSJI-WIYYLYMNSA-N 447.399 2.819 0 40 IFAB biogenic C[S@@](=O)C[C@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 89493041 FLINFBUWIIFFHB-MQNRADLISA-N 427.295 2.763 0 40 IFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc21 96120156 MOOJDUQFOXECDP-AOMKIAJQSA-N 434.558 2.749 0 40 IFAB C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1C 105311580 KRNGJMMSVZBNAO-XEZPLFJOSA-N 425.323 2.806 0 40 IFAB COC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc21 107640685 DJDXHAJANQSVJD-WQRHYEAKSA-N 441.509 2.863 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 169295602 YNYNFYUQBFGBCL-CGXNFDGLSA-N 426.469 2.902 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 224952588 NMLXEONVOIYBDQ-UHFFFAOYSA-N 431.514 2.810 0 40 IFAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 225196366 PPKREGHMFGSTPF-UHFFFAOYSA-N 446.525 2.658 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225503951 XAFILMFNSWWJPT-QZTJIDSGSA-N 432.542 2.680 0 40 IFAB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(C)=O)CC2=O 253399656 JSZJSALBWDSHMQ-XIIKJZGZSA-N 441.572 2.707 0 40 IFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)C2)c1F 253471024 AMBOXMPCNHXQIN-ZDUSSCGKSA-N 425.420 2.590 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)C1 257259163 KXDGJKGKHILPFU-RUZDIDTESA-N 439.531 2.866 0 40 IFAB Cc1nonc1CN(C)C(=O)C[C@@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 257317038 VICDVVBMWRPCOU-HNNXBMFYSA-N 442.495 2.613 0 40 IFAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)Cn3nc(C)ccc3=O)CC2)n1 257335047 YIMPLENYAFVJOK-UHFFFAOYSA-N 436.491 2.939 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(CN3CCCC3)c2)Oc2ccccc21 260890584 PQTKDOWCXRNMMZ-JOCHJYFZSA-N 443.569 2.516 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 408611182 VJDONPXGJVGMCA-LLVKDONJSA-N 425.894 2.613 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c(C)c1 408653574 INSAAGZQWHOAIM-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408659084 LWMVWNJZBKELLY-PCNTZYQVSA-N 446.459 2.768 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408671919 YJXOZBLQWGSKNU-CVSRONHPSA-N 425.268 2.506 0 40 IFAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)O 408987283 VXWOLONSMUBMHJ-LJQANCHMSA-N 427.482 2.590 0 40 IFAB COc1ccc([C@H](CC(=O)NCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)cc1 1547138241 CVWQADMTZDMKSI-KRWDZBQOSA-N 441.509 2.803 0 40 IFAB biogenic C[C@@H](NC(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 1564965558 HUWBUWVCDPVFRG-XLIONFOSSA-N 435.528 2.625 0 40 IFAB CN(C)C(=O)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc21 1340522 ZKQLIUVMNKZQSR-UHFFFAOYSA-N 426.498 2.627 0 40 IFAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2ccc(OCC)cc2)c(C)c1C(=O)OC 6601194 NNVNUPOTQXVVBA-UHFFFAOYSA-N 434.470 2.996 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN(C)c2ccccc2)cc1 8635705 ZMNPQXHWFOGHGG-IRFCIJBXSA-N 429.586 2.820 0 40 IFAB biogenic,in-vitro COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)N[C@@H](C)c2ccccc2)C(C)C)c1 8691233 PYEKAIRCTGCVQW-AOMKIAJQSA-N 442.512 2.879 0 40 IFAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)N[C@H]1CCS(=O)(=O)C1 8709137 GKIHHKKQLCOTHL-GWCFXTLKSA-N 444.376 2.623 0 40 IFAB Cc1c(C)c2c(OCC(=O)N3CCC(C(N)=O)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 8876971 GLBWBVLCGWIKCB-UHFFFAOYSA-N 442.512 2.616 0 40 IFAB biogenic C[C@H](NC(=O)COC(=O)CNC(=O)c1cccc(Br)c1)c1ccc(F)cc1 8880206 YTHYFTDKKPBLBT-LBPRGKRZSA-N 437.265 2.739 0 40 IFAB C[C@@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1 9361834 YVEFVFFQIDZSDK-GFCCVEGCSA-N 435.889 2.549 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cncn2)cc1 9465458 NVKGGBJDVZRDLL-UHFFFAOYSA-N 426.483 2.777 0 40 IFAB COCCCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)n3ccccc3nc21 9579614 ONUFIQSUXRHSRH-UHFFFAOYSA-N 445.523 2.648 0 40 IFAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)Nc2cc(S(=O)(=O)N(C)C)ccc21 9631449 TXBFVGJBXONMQM-IBGZPJMESA-N 444.557 2.730 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9995268 CHPALLYUNOWEPV-UHFFFAOYSA-N 444.513 2.682 0 40 IFAB O=C(c1cccnc1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089335 WLVUYMZBKBTSIA-HXUWFJFHSA-N 430.512 2.790 0 40 IFAB Cc1cc(C(F)F)nn1CC(=O)NCc1ccc(-c2ncncc2C(=O)N(C)C)cc1 12231159 VZRFQSMIRCNAFE-UHFFFAOYSA-N 428.443 2.604 0 40 IFAB COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 12541204 DXMHJBQMBSCVIY-UHFFFAOYSA-N 443.525 2.769 0 40 IFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12759126 BRLJTWKKPLSIRL-INIZCTEOSA-N 431.533 2.648 0 40 IFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 12784743 OICJZEZIKFCKBZ-UHFFFAOYSA-N 438.459 2.789 0 40 IFAB CC(C)CCN(C(=O)Cc1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12817925 MTAPNNOIEIQAJP-UHFFFAOYSA-N 426.542 2.850 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Br)cc1 12904783 DMZVYZCVIZSFFZ-OAHLLOKOSA-N 433.258 2.814 0 40 IFAB O=S(=O)(c1ccccc1)N1CCN(Cn2ncn(-c3ccccc3F)c2=S)CC1 13063570 PZNRILIPOQNWLE-UHFFFAOYSA-N 433.534 2.506 0 40 IFAB Cc1c(NC(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)c(=O)n(-c2ccccc2)n1C 13137424 ZALUCYSODGAXAT-LLVKDONJSA-N 440.451 2.751 0 40 IFAB COCCNC(=O)[C@@H](c1ccc(C)o1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 13508381 PMCPLAGLMRLTFN-JOCHJYFZSA-N 441.532 2.711 0 40 IFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 14227928 MZWXRLJTZMSWMI-CQSZACIVSA-N 425.435 2.920 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 15824888 ITRHWHJXFNLSTR-UHFFFAOYSA-N 447.474 2.711 0 40 IFAB COc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 16051140 TXYIWFMVEYPRPB-UHFFFAOYSA-N 441.509 2.964 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccn3)[nH]c(=O)c2C1 19238683 PPIXQIHGXFARTL-FQEVSTJZSA-N 449.580 2.999 0 40 IFAB CC(C)c1nc(N2CCC(NC(=O)[C@H](C)Cn3cncn3)CC2)ncc1-c1ccncc1 19451558 WEIDTCSKTCPUCP-QGZVFWFLSA-N 434.548 2.675 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 19568118 ZPKFAPPQBZCQKU-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C 19578294 CNVJIIMQRPEWAU-UHFFFAOYSA-N 444.539 2.755 0 40 IFAB Cc1ccc(Cc2cc(C)nc(C3CCN(C(=O)CC[C@H]4NC(=O)NC4=O)CC3)c2)cc1 19691617 RKNXOVQDSKROHN-OAQYLSRUSA-N 434.540 2.983 0 40 IFAB CC1CCN(C(=O)CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19694980 DAWQUDBYFHHHMS-OAQYLSRUSA-N 441.551 2.981 0 40 IFAB CCCN1C(=O)CCc2c(C)nc(C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)nc21 19739247 MBRWQHINSQYXGR-UHFFFAOYSA-N 447.561 2.647 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 20245060 BYBBVKIBPCOXLB-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB O=C(NCc1ccccc1-n1ccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1 20451452 MJULPCKRITYPET-UHFFFAOYSA-N 430.555 2.651 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 20453975 SWJGVSRVLIPHLD-QGZVFWFLSA-N 432.542 2.818 0 40 IFAB Cc1c(CC(=O)N2CCN(CCc3ccccn3)CC2)c(=O)oc2cc(O)c(Cl)cc12 20663754 MLQVSITWGBNCSG-UHFFFAOYSA-N 441.915 2.785 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2nc3c(s2)CCCCC3)cc1OC 22375425 HITWKCJNIFRWTF-UHFFFAOYSA-N 439.559 2.736 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 24611090 YAJAPNGKNBIDCA-UHFFFAOYSA-N 430.570 2.904 0 40 IFAB biogenic CC(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 24776295 UGUDPZNWHIMZEY-UHFFFAOYSA-N 436.622 2.988 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3OC(F)(F)F)c2)CC1 29185790 XNJUIFKDIXPRDA-UHFFFAOYSA-N 443.447 2.774 0 40 IFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 30877186 INWRIHUEQFOPKE-QGZVFWFLSA-N 427.476 2.692 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)N2CCOCC2)cc1 32902364 STZALFQCEUTPFA-SFHVURJKSA-N 439.434 2.835 0 40 IFAB CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1=CCCCC1 34878593 UACBXEDMRKTVGS-UHFFFAOYSA-N 433.574 2.502 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc(F)cc1Cl 40478233 YENDWEWMSGFZSM-UHFFFAOYSA-N 430.802 2.607 0 40 IFAB CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cccc4ncccc34)CC2=O)cc1 65564006 GYRYRERTCOOQFR-CQSZACIVSA-N 441.534 2.815 0 40 IFAB COc1ccc(-c2nnc3nn(CC(=O)OC(C)C)c(=O)n3c2-c2ccc(OC)cc2)cc1 72339930 DXVMOMYVQOJFRN-UHFFFAOYSA-N 449.467 2.589 0 40 IFAB COC(=O)c1nc(NC(=O)[C@@H](C)n2nnc3ccccc3c2=O)sc1Cc1ccccc1 95474083 KXFDULGHLHSQEG-CYBMUJFWSA-N 449.492 2.825 0 40 IFAB COC(=O)c1nc(NC(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)sc1C(C)C 95477318 PRIVQHUMHUJLQH-UHFFFAOYSA-N 442.497 2.924 0 40 IFAB COc1cc(N2C(=O)C[C@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc(OC)c1OC 100792218 QGAXKBLJIUDUOZ-IBGZPJMESA-N 435.480 2.884 0 40 IFAB biogenic C[C@@H](NC(=O)NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104241047 XLYXXQOBDYPWGY-UBDQQSCGSA-N 443.573 2.557 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1 138978992 PSOSRNSYCFAJAA-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB Cc1cccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 219988158 ONMXRLBJYXOHLQ-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB COc1cccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 220168869 WUDXEUZCNHZWSJ-OAHLLOKOSA-N 433.530 2.627 0 40 IFAB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220457301 RKKGNTQBGROHLU-CQSZACIVSA-N 426.485 2.877 0 40 IFAB CCOc1ccc(N([C@@H](CC)C(=O)NCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 220667996 BXUJJZONEKOQDS-NRFANRHFSA-N 434.558 2.997 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222412201 SSOKEBAJRXYCTB-IBGZPJMESA-N 445.585 2.541 0 40 IFAB C[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222937110 COXVBPGEYSYMIE-MRXNPFEDSA-N 444.553 2.980 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1N1C(=O)CCC1=O 224333623 JRHXJPHVHSLZOD-MRXNPFEDSA-N 446.525 2.711 0 40 IFAB CCOc1cccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c1 224504964 MXMCPNHPQRUBNB-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1OC 225161808 FXSMBTOCMSNMRY-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)c1 225566492 PTCMSDDQLMJDTI-LJQANCHMSA-N 428.514 2.636 0 40 IFAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 225723128 GIVMPHZIIVDCNP-AWEZNQCLSA-N 433.434 2.634 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)CC1 225974335 UVLQPOFZXWGNTH-UHFFFAOYSA-N 437.949 2.707 0 40 IFAB COc1cccc(OC)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 226076677 XLSNAJPZDHQUIZ-QGZVFWFLSA-N 432.542 2.729 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1 408664371 QIYFNAIUZTYMAP-UHFFFAOYSA-N 425.441 2.748 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408666770 SKRQTNTVNYCZAV-WPCMGHOJSA-N 426.513 2.841 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 583652472 BGPFQDZGMFYZOP-CRAIPNDOSA-N 440.496 2.878 0 40 IFAB C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1ncc(-c2ccccc2)o1 1629645278 VQQJZNRACJFURO-ZAAXVRCTSA-N 437.471 2.862 0 40 IFAB C[C@H](Cc1ccccc1)n1cccc1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1638887689 PFGMSORSRMZIST-WIYYLYMNSA-N 446.617 2.976 0 40 IFAB CC(C)(C)c1cc(C(=O)N2CCCN(c3ccc4nnc(-c5cccnc5)n4n3)CC2)[nH]n1 1775973290 OXRLNEZIRMZSCZ-UHFFFAOYSA-N 445.531 2.559 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888918130 DAVKUSDAGGMONV-QZTJIDSGSA-N 442.589 2.724 0 40 IFAB CC(C)(C)NC(=O)NC(=O)COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 4371952 PGULMORFOFALEM-SFHVURJKSA-N 425.485 2.715 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1C 8587439 MMCIMBBMLLEGBB-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C(=O)O)[C@H](C)CC 8792066 ZRDZGZVFKZGFQP-DACLVMHWSA-N 429.521 2.596 0 40 IFAB biogenic COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC 9040703 CTFJZIZPNXTRQL-ZDUSSCGKSA-N 443.456 2.616 0 40 IFAB CCOC(=O)C1=C(COC(=O)CSc2cc(C)c3ccccc3n2)NC(=O)N[C@@H]1C 9130809 FLFRHAYYGUZHQB-CYBMUJFWSA-N 429.498 2.697 0 40 IFAB Cc1ccc2c(COC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc(=O)oc2c1 9284026 WXPNAWAKHBCPJH-OAHLLOKOSA-N 435.432 2.969 0 40 IFAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1C 9713263 SIKHSYVXYGDXJR-UHFFFAOYSA-N 443.507 2.805 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)ccc1OC 10008913 SPSPUUAXWWOYCQ-AWEZNQCLSA-N 433.530 2.774 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 10727154 YITCRSRYIDHEEZ-DLENHJPASA-N 435.542 2.600 0 40 IFAB O=C(COc1ccc(F)cc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914023 ODDOMMVXVUMNHG-CYBMUJFWSA-N 446.294 2.776 0 40 IFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccn(C)n2)C1 12156788 FLDADVORSNDCBC-FDDCHVKYSA-N 442.491 2.928 0 40 IFAB CCC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1 12157733 HCTHWKUFQDUHEZ-RXVVDRJESA-N 429.590 2.854 0 40 IFAB COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 12685738 IQQLIVZTQIURFW-UHFFFAOYSA-N 440.518 2.586 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 12760425 HPDIEGZQYOEFJB-UHFFFAOYSA-N 447.538 2.542 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 16321214 SEMDUNOAZGYFDP-UHFFFAOYSA-N 431.514 2.883 0 40 IFAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(OC)cc2OC)c1=O 17317008 HWXMRKPOMTYMSN-UHFFFAOYSA-N 425.489 2.573 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccccc3n2)cc1 17800058 DTGZZOKQAWMMKL-UHFFFAOYSA-N 432.524 2.756 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cn(C)nc2C)CCO1 19697677 RARQVNKIUOYHDX-GOSISDBHSA-N 428.558 2.893 0 40 IFAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCCC[C@@H]2CN2CCCC2)c1 19751289 FQHIILOJSVAYQG-OAQYLSRUSA-N 440.519 2.717 0 40 IFAB COc1cccc2c1OCC(C(=O)N1CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)=C2 19757760 UWDDPTMQZWWQQF-SFHVURJKSA-N 448.523 2.822 0 40 IFAB CC(C)CCN(C(=O)[C@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23683915 RUDWPJVAQFPKHR-CQSZACIVSA-N 439.343 2.740 0 40 IFAB C[C@@H]1CN(c2ccc(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)cn2)C[C@@H](C)O1 24670449 JSNMWVGMJWYROF-MBOZVWFJSA-N 440.569 2.527 0 40 IFAB CCOc1ccccc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209975 CDNODZCSGAXHBB-QGZVFWFLSA-N 432.498 2.721 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 29773987 QQBJPNGCSUUIBG-QGZVFWFLSA-N 432.542 2.906 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 30946221 FOQNRMPLXMIIAP-LJQANCHMSA-N 438.933 2.924 0 40 IFAB CCCCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)cc1 32094868 WDJPLZIKXOBQAE-FQEVSTJZSA-N 429.542 2.547 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1 33527963 SBMZPDXQXQAZEY-QFIPXVFZSA-N 428.920 2.895 0 40 IFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69561506 SVSQRDNKXJCUFG-CYBMUJFWSA-N 427.486 2.726 0 40 IFAB CC(C)CN(C(=O)CN1CCCCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 72308622 KGAPISRWGUKQDY-UHFFFAOYSA-N 441.576 2.607 0 40 IFAB O=C(Cn1ncc2ccccc2c1=O)NCCn1ccc2cc(Br)ccc21 72401100 PMLVDXDNLVHBED-UHFFFAOYSA-N 425.286 2.930 0 40 IFAB Cc1cccc2c1ccn2CCNC(=O)CCCC(=O)N1CCN(c2ccccn2)CC1 72402185 HOHGYVRGXSTWHT-UHFFFAOYSA-N 433.556 2.980 0 40 IFAB CN1CCCN(C(=O)c2cn(-c3nc(CNc4ccccc4)c4ccccn34)cn2)CC1 96267068 JJNKWWLWJVUVMJ-UHFFFAOYSA-N 429.528 2.910 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@H]3C2=O)cc1OC 101272276 YHPPSWAMTMFCJY-RBUKOAKNSA-N 448.439 2.556 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1Cl 101387286 BTZKWAAEEVMIAT-IAGOWNOFSA-N 448.266 2.934 0 40 IFAB COc1cc(N(CC(=O)NCc2cccc(C)c2)S(C)(=O)=O)c(OC)cc1Cl 220057849 YCDRMWBDPBZSFI-UHFFFAOYSA-N 426.922 2.748 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224051707 OMORDDPGKYYPNV-GFCCVEGCSA-N 428.457 2.625 0 40 IFAB CCSc1nnc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)s1 225465346 MNKNEZKQZUSQIY-LLVKDONJSA-N 430.577 2.760 0 40 IFAB CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 225873284 ANEJAGGWSVOGBN-UHFFFAOYSA-N 431.558 2.891 0 40 IFAB Cc1noc(C)c1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257240260 HSTUGOQBNHRJDX-HWBMXIPRSA-N 441.572 2.719 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1OC 260912539 BAYZHXVEEIFRHX-OAHLLOKOSA-N 432.542 2.690 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1Cl 408622375 NIZFUZYZHDNTLU-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 536371085 MVPBFWALXPKRCT-HNNXBMFYSA-N 445.520 2.936 0 40 IFAB COCCNC(=O)c1cccc2c1CN(Cc1ccccc1)CC(=O)NCCCCCO2 643572863 JYMJIJPDLDQRCQ-UHFFFAOYSA-N 439.556 2.744 0 40 IFAB O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)N[C@@H]1CCCN(CCCO)C1 1674281181 MKMISZTUBSOIAX-GOSISDBHSA-N 431.924 2.956 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1OC 3373163 DOBYUKZPDKZKDP-UHFFFAOYSA-N 447.948 2.781 0 40 IFAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2C1=O 3475601 BRHOUCCXNQDCHB-HZPDHXFCSA-N 436.464 2.588 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1Cl 3528989 KLKQFZOBTALQAQ-UHFFFAOYSA-N 427.844 2.800 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 3593751 BKWNBJQCGIVVKK-NRFANRHFSA-N 429.860 2.922 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCCC1)OCO3 6445538 KEZJNXYBBDHGKS-NRFANRHFSA-N 448.458 2.616 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H](C)NCCCN2CCOCC2)sc2c1CC[C@@H](C)C2 8709270 LTTHSDCYRHEPRZ-HZPDHXFCSA-N 437.606 2.689 0 40 IFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)/C=C\c3ccc4c(c3)OCO4)c2n1 8941630 WDKJZBXVVKQUDW-ALCCZGGFSA-N 440.529 2.927 0 40 IFAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 9127806 SZYNBEUBGLCFQK-UHFFFAOYSA-N 426.391 2.832 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 9317558 ZRHJDTUAWFGRDI-IBGZPJMESA-N 438.871 2.610 0 40 IFAB biogenic O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(-c2nn[nH]n2)c1 9377865 OHNSUZOWEZMWQW-UHFFFAOYSA-N 426.502 2.684 0 40 IFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 9465057 IPLZNXRIUDALMI-HSZRJFAPSA-N 438.487 2.747 0 40 IFAB CCCN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1nnc(-c2ccco2)o1 9683434 CPBWAROELFGHFS-UHFFFAOYSA-N 429.502 2.829 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 9713875 HAJGLDGLEAPNHV-UHFFFAOYSA-N 449.439 2.859 0 40 IFAB CCN(CC)C(=O)CSC(Nc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974217 UQKXCQTTZDCPEE-UHFFFAOYSA-N 438.937 2.616 0 40 IFAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCc1ccccc1 10102952 OLIJMXBOPWMTLB-UHFFFAOYSA-N 429.480 2.871 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cc(OC)c(O)c(OC)c1 10326126 HRPQTKACHQNCIQ-MRXNPFEDSA-N 438.436 2.509 0 40 IFAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11904096 QUPANXVLTBIYQI-LBPRGKRZSA-N 428.919 2.762 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1 11904785 GDEUZOPQYZTLPG-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cc1C 12235998 NXDYORLJNALSGA-WOJBJXKFSA-N 444.553 2.648 0 40 IFAB CSC[C@@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 12312003 DSWVHOHJQDXEKL-JZXOWHBKSA-N 432.542 2.692 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 12559577 IBIKGEPAZFALQN-UHFFFAOYSA-N 428.489 2.671 0 40 IFAB Cc1nn([C@@H](C)C(=O)NCc2cccs2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12907025 BWTWMJIIHPJTDF-HNNXBMFYSA-N 436.559 2.853 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1cccc(Br)c1 13646906 LWXOBNMYMUTTCT-UHFFFAOYSA-N 446.411 2.597 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)CC1 13985765 IHBUDNGTZGXKKI-UHFFFAOYSA-N 444.557 2.904 0 40 IFAB CCn1c(=O)c(C(=O)CNc2cccc(C(F)(F)F)c2)c(N)n(Cc2ccccc2)c1=O 15086479 HTTCSWAGDUXPSG-UHFFFAOYSA-N 446.429 2.974 0 40 IFAB O=C(Nc1ccccc1N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15309355 FOFCQKDWILMVQB-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)N1CCN(c2ccccc2)CC1 15881744 VJODDVVYNDTLLH-UHFFFAOYSA-N 431.525 2.627 0 40 IFAB O=C(CN(C(=O)c1csnn1)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 15936162 UYUHFCJVIJXPDN-UHFFFAOYSA-N 430.873 2.883 0 40 IFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(C(=S)NCCc2ccccc2)CC1 16239037 REJOZENSZSAXMW-UHFFFAOYSA-N 430.020 2.825 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2sc3nc(CC)nn3c2O)CC1 16690238 LIAVSLQFVMAPHU-KRWDZBQOSA-N 445.545 2.931 0 40 IFAB COc1ccccc1N1CCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1 17283261 MGUGHEUXQBGBPL-UHFFFAOYSA-N 430.936 2.534 0 40 IFAB Cc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)n1 19237524 AHSUEBBMLCWWEI-IBGZPJMESA-N 443.481 2.578 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19448775 JAEOATFFBBKYPG-WIOPSUGQSA-N 436.556 2.999 0 40 IFAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2cn(C)nc2C)CCNC1=O 19583547 APPIVTRZBNBKEI-LJQANCHMSA-N 432.524 2.835 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OC 20024761 NREMHTHWBHJELU-UHFFFAOYSA-N 434.495 2.857 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc3[nH]cnc3c2)cc1OC 20719220 LGFXNPIUJUAYFX-UHFFFAOYSA-N 431.452 2.588 0 40 IFAB O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20735660 LUVZRZBBISVPJK-MRXNPFEDSA-N 438.915 2.649 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)C(=O)N(C(C)C)C1=O)CC2 23842243 WWPPTHJHKWRQKP-OAQYLSRUSA-N 437.496 2.808 0 40 IFAB O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 27200678 CKZLMBTYIGTMRB-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 31600549 XXAYFCLRJZYXIS-SFHVURJKSA-N 438.553 2.709 0 40 IFAB Cc1ccc(-n2nc(C)c(NC(=O)CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)c2C)cc1 31706327 QDLKTTUZMKPPIO-UHFFFAOYSA-N 445.479 2.727 0 40 IFAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)NC(=O)Nc1ccc2c(c1)OCO2 32883844 STWQUVAABOMRFJ-UHFFFAOYSA-N 444.517 2.772 0 40 IFAB COc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)cc(OC)c1 32899859 KEISCBVRFQJQQQ-AWEZNQCLSA-N 426.425 2.691 0 40 IFAB CCN1CCN(Cc2ccc(CNC(=O)c3nc(C)n(-c4ccc(F)cc4)n3)cc2)CC1 32933058 UOHSGPGNTMZMIA-UHFFFAOYSA-N 436.535 2.782 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 33156541 ZXKQZSCDCMYFFF-QGZVFWFLSA-N 429.542 2.866 0 40 IFAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(Cl)ccc3C(=O)N3CCCC3)ccc21 40135003 JMQYVMBSJSMPKP-UHFFFAOYSA-N 435.889 2.822 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](C)CN3CCCC3)cc2)cc1 40152072 JUCRVOWLCMCLAN-KRWDZBQOSA-N 431.558 2.958 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1ccc(F)c(F)c1 40478016 JZDMYDFTIYLHHB-UHFFFAOYSA-N 430.802 2.607 0 40 IFAB COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 48234726 GLGZMKOANBUOOG-IBGZPJMESA-N 442.560 2.800 0 40 IFAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@H](c4nncn4C)C3)c2)c1C 48290466 LNZFIOUBFQAHFQ-INIZCTEOSA-N 437.504 2.897 0 40 IFAB O=C(Cc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 67896738 UUFOPQDSIDMZCQ-RCZVLFRGSA-N 431.492 2.724 0 40 IFAB biogenic,in-vitro CCCn1c(Cn2c(-c3ccccc3)noc2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 70016365 NMQFJECLGQRIJY-UHFFFAOYSA-N 441.513 2.562 0 40 IFAB C[C@H]1CN(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 72308699 AMIVIOXLGKSOEE-CTNGQTDRSA-N 441.597 2.700 0 40 IFAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)Cc3ccccn3)CC2)n1 72352139 NPBKOAZRBLDZGN-UHFFFAOYSA-N 431.540 2.769 0 40 IFAB Cc1cc(O)c(I)cc1CN1CCC(CN2CCOCC2)CC1 95446137 DLMNOOZSXDGZAM-UHFFFAOYSA-N 430.330 2.849 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCc3cc(Br)ccc32)ccc1OC 222901765 LLWHVXJWMVVAPA-UHFFFAOYSA-N 425.304 2.569 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223606862 SASODUUKKQARRR-LJQANCHMSA-N 445.585 2.623 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCCOc2cccc(C)c2C)S(=O)(=O)N(C)C)c1 223933929 ZGGBIYXKZYCDBW-UHFFFAOYSA-N 433.574 2.728 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(OC)c(Cl)cc2OC)cc1C 224660563 UNTCECOVVPHLEV-UHFFFAOYSA-N 429.878 2.954 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(Cc3ccncc3)CC2)Nc2ccccc21 257209653 BRILTJZWWSUMNT-RVNGOIKDSA-N 445.567 2.714 0 40 IFAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)CC1 408602118 HURYBLMOFNESDW-UHFFFAOYSA-N 437.949 2.684 0 40 IFAB O=C(NCc1ccncc1)Nc1cccc(CNC(=O)c2cncc(N3CCOCC3)c2)c1 536050030 NTUJHEKJSILQKG-UHFFFAOYSA-N 446.511 2.565 0 40 IFAB Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1-c1cccs1 575613282 YXOAXXDVBFPDCT-UHFFFAOYSA-N 432.571 2.909 0 40 IFAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575616041 OEYWDDDWXRWXEJ-UHFFFAOYSA-N 438.859 2.588 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1 1355920 AUIYZXHRTJMRJH-FQEVSTJZSA-N 442.585 2.680 0 40 IFAB O=C(O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)c(C(=O)O)c2)C3=O)cc1 2409493 ZVUMBIOJCACOEG-UHFFFAOYSA-N 431.356 2.820 0 40 IFAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)NCCN4C(=O)CSC4=O)c23)C1 2624188 CLEURBGBQHAFHU-SNVBAGLBSA-N 436.584 2.720 0 40 IFAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc(C)c(C(=O)OCC(C)C)s2)n1 8868063 IIGQZIVCTIGHDT-UHFFFAOYSA-N 446.938 2.754 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 9170930 NSBBFWXWAJIVER-HNNXBMFYSA-N 443.500 2.721 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 9190991 ZXKWFMGEAAUGDU-UHFFFAOYSA-N 445.541 2.945 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)cccc3N3CCN(c4ccccc4)C[C@H]32)C1=O 9215840 OWKAWYHQJDWIMW-IBGZPJMESA-N 438.915 2.628 0 40 IFAB Cc1ccccc1-n1c(SCc2cc(=O)n3ccsc3n2)nnc1N1CCOCC1 9724091 HRYOQLVQTNHFLN-UHFFFAOYSA-N 440.554 2.774 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccccc3OC)cs2)cc1 9828632 RFGWPWMGIGJNKG-UHFFFAOYSA-N 447.538 2.820 0 40 IFAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCCc1ccccc1 10102932 KEUNZSSSKGREJT-UHFFFAOYSA-N 429.480 2.606 0 40 IFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2cc(OC)ccc2OC)n2nnnc2N3)cc1 10295519 RMTIIZYONCBSLU-LJQANCHMSA-N 433.428 2.556 0 40 IFAB COC(=O)c1ccc([C@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10297998 RXCNQRJUXKXXFR-UBIUBJKMSA-N 427.424 2.820 0 40 IFAB CNC(=O)c1nn(CN(C)Cc2cc(Br)ccc2OC)c(=O)c2ccccc12 10913258 SGWWGCVMPLHMPG-UHFFFAOYSA-N 445.317 2.617 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 11665885 XNEXYLCBECDMMX-UHFFFAOYSA-N 447.474 2.711 0 40 IFAB COc1cc(OC)c(NC(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)cc1Cl 11666368 VPOSCIWUANFJDL-UHFFFAOYSA-N 439.859 2.867 0 40 IFAB COc1cc(CC(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cc(OC)c1OC 12222559 UYILFRAQZBTXBM-UHFFFAOYSA-N 439.512 2.658 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 12237725 UKQBOXOYKYDQFC-UHFFFAOYSA-N 436.859 2.833 0 40 IFAB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 12296482 JQASNYDWCUYKKR-YKDHUCNOSA-N 442.556 2.887 0 40 IFAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)n2)C1 12796253 NGALSJGOZODSLM-OAHLLOKOSA-N 436.603 2.719 0 40 IFAB O=C1COc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3)cc2N1 12853468 XSRUJGVLLVEENA-LLVKDONJSA-N 430.258 2.772 0 40 IFAB COc1cc(C/C(=C/NC(C)=O)N(CC(=O)Cc2ccccc2)C(C)=O)cc2c1OCO2 13379057 HATJVFBKNDNVNS-MOSHPQCFSA-N 438.480 2.604 0 40 IFAB biogenic,in-vitro CCOC(=O)[C@H]1[C@H]2c3ccccc3C=NN2[C@@H](C(=O)OCC)[C@H]2c3ccccc3C=NN12 13660335 UEGOQIIYBYDIQE-GXRSIYKFSA-N 432.480 2.645 0 40 IFAB COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 14232254 HBIQVVKWAOIOOR-INIZCTEOSA-N 436.555 2.755 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 15518633 QVTPIRASPOGCAF-SFHVURJKSA-N 439.516 2.511 0 40 IFAB CCn1cnc2c1c(=O)n(CC(=O)Oc1ccc(C)cc1C)c(=O)n2Cc1ccccc1 16013606 XAGVHIQONDCCFP-UHFFFAOYSA-N 432.480 2.650 0 40 IFAB COC(=O)c1c(N)nn(C(=O)[C@H](C)Oc2cc3c(C)cc(=O)oc3cc2C)c1SC 16284577 IMRDMGPNVDKWRE-NSHDSACASA-N 431.470 2.805 0 40 IFAB CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 17898858 GYMPMHRPZNFWDC-UHFFFAOYSA-N 449.523 2.665 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)cc2n1 19452386 MRLRUCHAVHCHMA-QWHCGFSZSA-N 444.479 2.622 0 40 IFAB CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cccc(N3CCCCS3(=O)=O)c2)[nH]c1=O 19521598 YEOUPMDYSUGPCI-IBGZPJMESA-N 444.557 2.548 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2ccncc2)CCO1 19580804 BPEGRMNUIUBLBY-VWLOTQADSA-N 430.508 2.686 0 40 IFAB CN1CCN(C(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)[C@H](c2ccccc2)C1 19750691 YYZMQKBXHHVNBV-QFIPXVFZSA-N 448.498 2.755 0 40 IFAB COc1cc2c(cc1OC)CN(C[C@H](O)COc1ccc3c(C)cc(=O)oc3c1)CC2 20426927 FVSCOYXHVFTUGN-SFHVURJKSA-N 425.481 2.917 0 40 IFAB biogenic Cc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1C 22249279 BPHCHYLAKBLESQ-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB O=S(=O)(c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc1)N1CCOCC1 23873175 SCLIXAOLOYIWQA-LJQANCHMSA-N 445.541 2.605 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(Cl)c1 24767182 VNBCAJGYVZPHAU-UHFFFAOYSA-N 428.963 2.780 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CCNC(=O)CC(F)(F)F)C2=O)cc(OC)c1OC 25050560 QEERGXKGLJMKIK-JYRVWZFOSA-N 448.419 2.817 0 40 IFAB COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 29864680 SEGUEZXNIKDWDO-UHFFFAOYSA-N 436.917 2.689 0 40 IFAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)c2s1 32615858 ZPOXVPBOBRIXEK-UHFFFAOYSA-N 440.506 2.935 0 40 IFAB COc1ccc([C@H]2CCCN2CC(=O)NCC2(N3CCOCC3)CCCCC2)c(OC)c1 32751541 LBTXISGRIIOHPD-JOCHJYFZSA-N 445.604 2.992 0 40 IFAB O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)[C@@H]1C[C@H]1[N+](=O)[O-] 32932098 CWIGTCSJYJPOOI-AAWFXOOTSA-N 430.269 2.811 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)Nc1ccccc1C(F)(F)F 58170330 NHAJIZNGXJIUGF-UHFFFAOYSA-N 435.402 2.831 0 40 IFAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1cccc(C(C)=O)c1 60388048 ARWUDZOGSJRELO-FQEVSTJZSA-N 441.480 2.974 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1(c2ccc(Br)cc2)CC1 65478160 BZUDOXDQIPDJCC-LBPRGKRZSA-N 448.342 2.682 0 40 IFAB COc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3cccc(C)c3)c(N)n2)CC1 67336404 NPKVOSQXLGUHEA-UHFFFAOYSA-N 439.541 2.535 0 40 IFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccnc(OC3CCCC3)c1)C2=O 69981231 AOENQPATVMMPHK-UHFFFAOYSA-N 428.533 2.910 0 40 IFAB CS(=O)(=O)CC1(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)CCOCC1 89484231 HTQOLPWSSUXECJ-UHFFFAOYSA-N 429.970 2.614 0 40 IFAB CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 95381762 WHJWXDNYPVDKLV-KRWDZBQOSA-N 432.542 2.969 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(OC)cc3)cc2)CC1 96834794 RSXSMNKMHMAZGE-UHFFFAOYSA-N 431.558 2.593 0 40 IFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)[C@H]3C2=O)cc1 100840850 XTDUOUPTDFOCFN-WBVHZDCISA-N 429.226 2.667 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4Cl)[C@@H]3C2=O)cc1 101166312 DUENWBJHNZMTCD-OALUTQOASA-N 441.875 2.979 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 101387450 DBYMQIRMXQXHGT-ZWKOTPCHSA-N 427.848 2.671 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCO)Cc2ccc(Cl)cc2)c(C)c1 108707051 XUWOOLUVISDEAA-UHFFFAOYSA-N 438.977 2.955 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)cc3c2N1CC3 206659359 ODBOBIMOEVRKPA-QGZVFWFLSA-N 440.443 2.553 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1CCN1CCOCC1 223133608 PEXWSBABAYVLJL-PKTZIBPZSA-N 448.596 2.631 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccccc1 224137827 NFDPKOJCUNWUPW-KRWDZBQOSA-N 432.542 2.526 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc21 225072528 HOPGFTBFDVNRDH-CQSZACIVSA-N 431.539 2.639 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1C(=O)CCC1=O 225216092 ZRMVAWYUBXWBJM-UHFFFAOYSA-N 442.537 2.992 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1 225673485 PPDUTTSAMZYTKX-SFHVURJKSA-N 446.569 2.714 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCN3CCc4ccccc4C3)ccc21 225698148 CEOAQNATKSQLSI-UHFFFAOYSA-N 431.583 2.810 0 40 IFAB COCCN1C(=O)CN(C2CCN(C(=O)c3ccccc3SC(F)F)CC2)C1=O 253404302 QXXBQJZJROGMLW-UHFFFAOYSA-N 427.473 2.517 0 40 IFAB COc1ccccc1CC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1 257287038 POFVPIABODJTFP-LJQANCHMSA-N 436.556 2.872 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl 260912852 YVKOLDJKAAQOPO-ZDUSSCGKSA-N 445.324 2.716 0 40 IFAB CCOC(=O)Cc1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 508765698 RVIGXFXNOAUMOR-UHFFFAOYSA-N 448.516 2.971 0 40 IFAB C[C@@H](Oc1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cn1)c1ccccc1 522690970 DORCILZMUKRZOT-QGZVFWFLSA-N 435.484 2.529 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2cccc(C(F)(F)F)c2)[C@@H](O)C1 585283799 HTMBJMPORAXSFX-UNMCSNQZSA-N 436.474 2.752 0 40 IFAB CC(C)c1ncnc(N(C)[C@@H]2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c1F 1888908419 NITVHYQPEYVZRB-OAHLLOKOSA-N 427.480 2.774 0 40 IFAB C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)N3CC(=O)Nc4ccccc43)[C@H]1CCCC(=O)N2 2037797792 JQFUZQSMQCMEND-GSPPDTAYSA-N 446.551 2.716 0 40 IFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 795867 JHFDGDFYTVTKFY-UHFFFAOYSA-N 430.921 2.883 0 40 IFAB O=C(O)C1CCC(CNC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)CC1 2236020 JEJZUUQNBALKGP-UHFFFAOYSA-N 426.517 2.605 0 40 IFAB COC(=O)c1sc2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)[nH]c(=O)c2c1C 3343596 DIXNNAFOCSCNCD-UHFFFAOYSA-N 440.525 2.604 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1 3361773 JFLJQCHKOSRHJC-UHFFFAOYSA-N 426.502 2.742 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@H]1c1ccc(O)cc1 8432638 BABJRTWFMGHNSW-YWFITGJYSA-N 438.480 2.643 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 8940023 JLVRPPDFDPHHFA-NBGIEHNGSA-N 449.507 2.761 0 40 IFAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccc2c(c1)OCO2 8977720 FLCTVRUVLRDLRY-UHFFFAOYSA-N 431.495 2.911 0 40 IFAB CCc1ccc2c(COC(=O)CCNC3=NS(=O)(=O)c4ccccc43)cc(=O)oc2c1 9128306 OYNPIEKBBXOARC-UHFFFAOYSA-N 440.477 2.527 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(C)n1C1CC1 9155591 GGJGUSJPNPCRIZ-XMMPIXPASA-N 435.480 2.775 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1OC 9211582 DWRLMJMBPBFATC-UHFFFAOYSA-N 435.444 2.542 0 40 IFAB O=C(Nc1ccccc1)c1ccc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 9223641 WRNJATXFHZZSAA-UHFFFAOYSA-N 437.521 2.933 0 40 IFAB O=C(NCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9303119 YPSGWGFGQRZWSP-INIZCTEOSA-N 447.582 2.592 0 40 IFAB Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)COc2ccc(Cl)cc2)c1 9426081 KGGZQRJEHDEBFO-LJQANCHMSA-N 429.904 2.691 0 40 IFAB COC(=O)c1sc(NC(=O)COC(=O)CCc2ccc(OC)cc2)c(C(=O)OC)c1C 9511234 TWFIMNOXECJREJ-UHFFFAOYSA-N 449.481 2.753 0 40 IFAB COc1ccc(N(CCCC(=O)NCCCN2CCCCC2)S(C)(=O)=O)cc1Cl 10279401 CCLQBNJOMZXLQR-UHFFFAOYSA-N 446.013 2.887 0 40 IFAB O=C(NCc1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 10593041 NTOQDAXKOBPLIZ-UHFFFAOYSA-N 443.447 2.643 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCn4ncc5ccccc5c4=O)C3)cc2n1 12134677 CBSXWMXMMQHCAF-QGZVFWFLSA-N 446.511 2.504 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)c1 12231263 HBOASKFWGGCYKC-UHFFFAOYSA-N 438.480 2.884 0 40 IFAB CCOCCCNC(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 12492418 VPMHZFFVPDDLNJ-UHFFFAOYSA-N 438.351 2.914 0 40 IFAB CC[C@H](C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12512064 FVFWOKWPNHWCDT-LBPRGKRZSA-N 441.937 2.893 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 12753997 OQILREOYCWEVLK-NRFANRHFSA-N 427.551 2.982 0 40 IFAB Cc1nn(CC(=O)NCCc2c[nH]c3ccccc23)c(C)c1S(=O)(=O)N1CCCCC1 12817253 GPNDPNQZRYTDHW-UHFFFAOYSA-N 443.573 2.515 0 40 IFAB O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCN(Cc2ccncc2)CC1 12823660 GPRVUDFDLDINJS-UHFFFAOYSA-N 440.503 2.836 0 40 IFAB Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)o1 12881765 ZOXGEMZFYRTZKN-UHFFFAOYSA-N 433.511 2.985 0 40 IFAB CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 13038152 HGKFYKYKHJIKDW-GFCCVEGCSA-N 441.903 2.580 0 40 IFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 14245899 ICDLCBRTZITLKZ-UHFFFAOYSA-N 443.569 2.801 0 40 IFAB CS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 14621678 FKRYTZTWXOGJOU-ATVHPVEESA-N 448.497 2.696 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2cc(-c3ccccc3)n(C)c2=S)CC1 15544999 NJKCGGDODBUEBA-UHFFFAOYSA-N 447.586 2.792 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)CC1 19085318 RIZIWGJSLHJZHP-GOSISDBHSA-N 437.544 2.959 0 40 IFAB Clc1ccc(N2C(c3ccccc3)=N[C@H](N3CCOCC3)[C@H]2N2CCOCC2)cc1 19319115 FLJXMLYQHFFFEJ-PKTZIBPZSA-N 426.948 2.923 0 40 IFAB O=C([C@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 19405328 JALPJLODKMASBQ-CTNGQTDRSA-N 433.556 2.967 0 40 IFAB C[C@H](C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2)c1ccccc1 19459276 XIEYBRVGLVUATI-HRAATJIYSA-N 434.540 2.922 0 40 IFAB CCn1nc(C)c(NC(=O)[C@H](C)N2CC3(CCOCC3)Oc3ccccc3C2=O)c1C 19523845 SCNXORUHGPFISK-KRWDZBQOSA-N 426.517 2.931 0 40 IFAB Cc1nc([C@]2(O)CCCN(C(=O)CN3CCOCC3)CC2)sc1COc1ccccc1 19705219 IXTIRALMPLRBSK-QHCPKHFHSA-N 445.585 2.563 0 40 IFAB Cc1cc(C)n(CCCC(=O)NCC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)CCO2)n1 19712045 CLZLGYUYCGLPSQ-CTNGQTDRSA-N 433.574 2.808 0 40 IFAB CCN1CCN([C@@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1 19826082 JUYILWHMBYOTDF-QHCPKHFHSA-N 443.555 2.598 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(NC(C)=O)cc2)cc1OC 20727819 VRXSDMZLHPZZJL-UHFFFAOYSA-N 448.479 2.671 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 21146329 IJLZDIMNRXANOT-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 21511485 KANSKQKLOWVJRG-UHFFFAOYSA-N 445.560 2.935 0 40 IFAB O=C(NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(NC(=O)C2CC2)c1 21684085 HIDKQMCBWTYKPY-UHFFFAOYSA-N 439.896 2.536 0 40 IFAB CCCOc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 22388856 JZWKCPBIEIXDRT-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1N1CCOCC1 22799215 XZRAXANJFNTNOC-UHFFFAOYSA-N 434.993 2.994 0 40 IFAB Cc1ccc(CN2CCCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 22995637 GMMLLNGKBKWWNH-UHFFFAOYSA-N 430.499 2.536 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 25203518 QPWZXNJSSMXPIP-UHFFFAOYSA-N 432.436 2.510 0 40 IFAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 26110499 NEEUQRFQQLEWCC-KBPBESRZSA-N 435.373 2.830 0 40 IFAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 26117290 PKQKQNSMLKLCEP-UHFFFAOYSA-N 436.555 2.999 0 40 IFAB COC[C@@H](C)NC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616027 KXPZMFRZTSSLHS-TZMCWYRMSA-N 448.570 2.593 0 40 IFAB COc1cc(NC(=O)[C@@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC 32891659 OCQQFPDLCXUBSB-MAUKXSAKSA-N 434.489 2.633 0 40 IFAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1 32900280 WNZVKIRHZBVBTG-UHFFFAOYSA-N 427.549 2.681 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 33040042 CDLMWIDPEDSMAM-CYBMUJFWSA-N 443.978 2.744 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@H]1Cc2ccccc2CN1 36543609 HUIQEZPEAKRUCY-DNQXCXABSA-N 442.519 2.819 0 40 IFAB biogenic O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120926 STXCSWRHQGUUDV-KRWDZBQOSA-N 443.429 2.951 0 40 IFAB CCn1c(C)c([C@H](c2ccc3c(c2)OCO3)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O 40568628 PHPOLOHHDILWDQ-QFIPXVFZSA-N 438.480 2.987 0 40 IFAB COc1ccccc1NC(=O)Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O 49008722 AUBQYLYDVXQYCE-UHFFFAOYSA-N 425.832 2.984 0 40 IFAB Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2cc1C 57589929 GWICLXDGNRSVLB-HSZRJFAPSA-N 444.539 2.726 0 40 IFAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 58002850 FHEOUVKVPQJUIU-CYBMUJFWSA-N 442.447 2.939 0 40 IFAB O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCNc3ccccn3)cc21)C1CCCC1 72345868 CUROWRDPUXWNAH-FQEVSTJZSA-N 428.558 2.766 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351406 PFYWUFYAWGTZQE-QFIPXVFZSA-N 430.508 2.743 0 40 IFAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C)c(OCC(=O)OC)c(C)c1 79053279 YKHPCDOXJWIQBS-UHFFFAOYSA-N 430.476 2.773 0 40 IFAB O=C(C1CCCC1)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)C4CC4)nn3c(O)c2C1 100243330 ADABWLQPLOQENR-FQEVSTJZSA-N 437.544 2.973 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1OC 103514087 BNNMIWVCBDLINX-UPZYVNNASA-N 445.475 2.609 0 40 IFAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 107508488 KMJKZDCFYYZHCX-KURKYZTESA-N 443.510 2.770 0 40 IFAB CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(C(F)(F)F)nc4)c3)nc2n(CC)c1=O 113372457 TXEFUDYEMBGBMN-UHFFFAOYSA-N 447.421 2.642 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 138888228 WDGYMSTXPIZBOY-SFHVURJKSA-N 438.480 2.961 0 40 IFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)n2)cc1 223077946 RYLKRMICDTYZCS-UHFFFAOYSA-N 448.526 2.904 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccc3ccccc3c2)ccc1OC 223612918 DRKHHVRUVQWZDN-UHFFFAOYSA-N 428.510 2.955 0 40 IFAB COc1cccc(CCCNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 224963888 CJHOVGJPRBJKRU-UHFFFAOYSA-N 434.558 2.636 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3OC)C2)cc1 225856464 IKIHWGYVHNILBM-DLBZAZTESA-N 432.542 2.982 0 40 IFAB COc1ccccc1CC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1 257287037 POFVPIABODJTFP-IBGZPJMESA-N 436.556 2.872 0 40 IFAB COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408597419 YYLZSIPVTIVOTG-LJQANCHMSA-N 448.541 2.503 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 408660686 BVQMNKUSCYWXHF-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(COc2cc(C3CC3)ncn2)CC1 952989375 CSIRGTLWBSGVGO-UHFFFAOYSA-N 445.541 2.995 0 40 IFAB Cc1cccc(NC(=O)Nc2cccc(CNC(=O)c3cccc(-n4[nH]nnc4=N)c3)c2)c1 1596854391 XWRADQOIXBGIPS-UHFFFAOYSA-N 442.483 2.957 0 40 IFAB Cc1cccc(F)c1C(=O)NC[C@H]1Cc2c(nn(C)c2C(=O)NCc2ccccc2)CO1 2055759253 CNRBRRUQKKMTCV-QGZVFWFLSA-N 436.487 2.669 0 40 IFAB Cn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nnc1-c1ccncc1 815671 DBHHQLOCDSTKJC-UHFFFAOYSA-N 428.949 2.971 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccc(F)cc2)CC1 1454334 VXJZBECEEIRJBW-UHFFFAOYSA-N 431.533 2.963 0 40 IFAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@H](C)C(=O)C[C@H]3C)c12 2446349 ZXPNTKNDRGETDK-UONOGXRCSA-N 429.517 2.910 0 40 IFAB Nn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1Cl 2636825 PWLZYKIQOMKQQR-UHFFFAOYSA-N 444.948 2.880 0 40 IFAB CC[C@@H](OC(=O)[C@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 5225787 FJXSUUDNDQGLGD-LSDHHAIUSA-N 436.559 2.659 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 8878140 ODIVOGBZXBNPLY-WTVUKVQKSA-N 446.503 2.839 0 40 IFAB CCOc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1OCC 8922694 HSECTKDJWSLADD-UHFFFAOYSA-N 446.504 2.777 0 40 IFAB COC(=O)c1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c(=O)c3c(C)c(C)sc3[nH]c12 9128779 HRMSMFNGNQTYQH-UHFFFAOYSA-N 441.440 2.997 0 40 IFAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 9396676 NNEYIJLAWHTXKL-KSSFIOAISA-N 431.341 2.649 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9547660 FIYGZYRCYUEEEM-UHFFFAOYSA-N 428.489 2.548 0 40 IFAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cc(=O)n5ccsc5n4)C3=O)ccc2c1 9548991 UYJZWFVASQEGTK-JOCHJYFZSA-N 434.477 2.885 0 40 IFAB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)NCc1ccc2c(c1)OCO2 9599791 STALRGBSPJELEM-UHFFFAOYSA-N 425.495 2.990 0 40 IFAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NN1C(=O)NC2(CCCCC2)C1=O 9644568 AZDYCXGFOKDRPP-UHFFFAOYSA-N 440.529 2.523 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 9714612 OJXKEKHXHDRFMC-UHFFFAOYSA-N 438.509 2.984 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnc(-c3ccncc3)n2C)sc2c1CCC2 9884114 XCMIHZKXLHEAHI-UHFFFAOYSA-N 429.527 2.945 0 40 IFAB Cc1cccc2nc(CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)cc(=O)n12 10537426 SGODOWWVJZAOBG-OAQYLSRUSA-N 428.395 2.572 0 40 IFAB C[C@@H](C(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1)c1ccccc1 12133215 YGJNSWLJYKHUDG-QGZVFWFLSA-N 442.585 2.990 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)Cc2ccsc2)CC1 12133420 AYHKLVIWLADWDJ-UHFFFAOYSA-N 448.614 2.881 0 40 IFAB COc1ccc(-c2nnc(SCc3nc(N)nc(N4CCCCC4)n3)o2)cc1OC 12371383 NLJMLBUSZUYDIF-UHFFFAOYSA-N 429.506 2.804 0 40 IFAB O=C(CNc1ccc(-n2cncn2)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12545423 HPOHAYSDPFNUIV-UHFFFAOYSA-N 428.378 2.917 0 40 IFAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12905584 CQZDQTKSGXGHKS-UHFFFAOYSA-N 443.500 2.946 0 40 IFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 12998991 ROQOHTUAFYBFIV-HNNXBMFYSA-N 427.320 2.670 0 40 IFAB CCn1nnc2c(N3CCN(C(=O)NC(c4ccccc4)c4ccccc4)CC3)ncnc21 13535045 INRLTOAUFLYWHK-UHFFFAOYSA-N 442.527 2.862 0 40 IFAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(F)cccc1F 13956569 HBZYZZPTXIWWEP-UHFFFAOYSA-N 449.458 2.936 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15969989 WNYSZEZUHUALTK-CQAGSAPUSA-N 442.519 2.931 0 40 IFAB biogenic O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)N[C@@H]1CCS(=O)(=O)C1 16097353 SYSOZTPECKENEZ-OAHLLOKOSA-N 428.539 2.769 0 40 IFAB O=C(CCN1C(=O)CCNC1=O)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19693571 XOLQTTPNRMSQRR-LJQANCHMSA-N 442.903 2.634 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCC(C)CC3)CC2)c1 20457857 AADHHCQAHVEYIJ-UHFFFAOYSA-N 435.634 2.775 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1C 20787605 VRULPJNKWFMJKE-IOASZLSFSA-N 425.323 2.663 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)c1 22229935 OBPPWPDWFGTONB-GOSISDBHSA-N 434.514 2.813 0 40 IFAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)cn2C 22237328 AHZPVARUWYHDJW-UHFFFAOYSA-N 449.507 2.624 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)c1 24208614 QFDVUCXISUHDDL-CQSZACIVSA-N 426.425 2.691 0 40 IFAB COC(=O)C1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCCCC1 25177028 VRVYAMQNDZYLHS-OAHLLOKOSA-N 442.965 2.733 0 40 IFAB COC(=O)c1cc(NCC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)cc(C(=O)OC)c1 25626010 CWEYDDUWUHQRIT-OAQYLSRUSA-N 426.469 2.948 0 40 IFAB Cc1cc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)c(C)n1-c1ncn[nH]1 25667636 HFFFANYKYIRYNX-UHFFFAOYSA-N 440.510 2.680 0 40 IFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 27029017 OIFMMHAKLIOODJ-QGZVFWFLSA-N 443.352 2.742 0 40 IFAB Cc1cc2occ(CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c2cc1C 30994208 YYAHCEYUJFZGCA-UHFFFAOYSA-N 442.537 2.929 0 40 IFAB CN(C)C(=O)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 32810584 HCSATOVLJBZQKC-LAUBAEHRSA-N 436.512 2.813 0 40 IFAB Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1NC(=O)c1ccco1 35336351 QKAFIDLGPOIRFW-UHFFFAOYSA-N 438.528 2.611 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 36358316 FHTJNJMGLIKKAS-UHFFFAOYSA-N 442.541 2.846 0 40 IFAB Cc1cc(C(F)(F)F)nn1C[C@H](C)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614523 YDYOTCQUYBVYIM-CYBMUJFWSA-N 444.479 2.952 0 40 IFAB COc1ccc([C@H]2C[C@@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 38180689 WOVVFJRUWZRHOV-MOPGFXCFSA-N 435.484 2.785 0 40 IFAB COCCn1nc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)ccc1=O 40107630 JCLPETUQBJNQBB-UHFFFAOYSA-N 425.529 2.823 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 48289264 WYDQJCORFQBFMH-UHFFFAOYSA-N 434.942 2.785 0 40 IFAB COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 72305324 XRHGCZWBMLBQQX-WBVHZDCISA-N 431.489 2.507 0 40 IFAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)NCCNc3ccccn3)cc21)C1CCCC1 72345867 CUROWRDPUXWNAH-HXUWFJFHSA-N 428.558 2.766 0 40 IFAB CNS(=O)(=O)c1ccc(NCCOC)c(NCC(=O)Nc2cccc(Cl)c2C)c1 79111099 MXHACEVCMKRUKD-UHFFFAOYSA-N 440.953 2.665 0 40 IFAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 96121908 PGZNBSYLMJZEJB-UHFFFAOYSA-N 436.338 2.849 0 40 IFAB CC(C)CN1[C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145754 OSIKBYNIGPPGBA-OALUTQOASA-N 429.542 2.794 0 40 IFAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)cc3n2)CC1 100232791 DDKQLJWCWZEBOJ-UXHICEINSA-N 427.549 2.865 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1 101416182 IKEATKONWUQSQP-MSOLQXFVSA-N 427.848 2.671 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NC[C@@H](O)c3ccccc3)CC2)cc1 101509100 HEUPQPBHWIIXPE-ZWCUEREDSA-N 446.569 2.630 0 40 IFAB C[C@@H](NC(=O)NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104241058 XLYXXQOBDYPWGY-LAVFITLUSA-N 443.573 2.557 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OC 214686208 VOGATBCKUJSUAI-XNTDXEJSSA-N 440.905 2.642 0 40 IFAB COc1cccc(S(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)c1 217593960 AHFWHEVEJVUKIQ-UHFFFAOYSA-N 437.587 2.848 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)CC2)c1C 224390872 HYYQKAOASKNYGX-LJQANCHMSA-N 445.585 2.815 0 40 IFAB COc1ccc(C)cc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 225490892 IEFKWHFSGZWGJE-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB O=C(c1cc(-c2cccnc2)on1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225546261 BXMDSSFDCZSVAD-UHFFFAOYSA-N 436.497 2.767 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(Cc3ccncc3)CC2)Oc2ccccc21 247875965 OBDFZWDFKFNIEJ-QDQHVZQESA-N 446.551 2.681 0 40 IFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 252498983 RSIAUNZATFBDLG-ZDUSSCGKSA-N 439.863 2.627 0 40 IFAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515812 NUQIJOGDLJPESP-YQVWRLOYSA-N 438.343 2.897 0 40 IFAB CCn1c(C)c(C)c2cc(C(=O)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc21 257247970 JBKZOMBBOZUZNH-UHFFFAOYSA-N 434.539 2.800 0 40 IFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CCN(Cc1cn(C)c3cc(OC)ccc13)C2 257305154 SOQYCDSZJWZXAF-QGZVFWFLSA-N 448.571 2.913 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2)cc1 408636160 MCFYDUPCDWFYFK-HXUWFJFHSA-N 432.542 2.571 0 40 IFAB O=C(NCc1cnc2n1CCCC2)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 551795351 CRJKWOGQKPQZPY-KRWDZBQOSA-N 431.334 2.903 0 40 IFAB Cc1cc(=O)c(-c2noc(CN(C)S(=O)(=O)c3ccc(Cl)s3)n2)c2n1CCC2 576565313 GIAMEQOYHNCQGD-UHFFFAOYSA-N 440.934 2.689 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)Cc1c(C)noc1C)C2 643576427 YXPHOTMQMNFHSZ-UHFFFAOYSA-N 429.517 2.940 0 40 IFAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)cc1 734161 ABKCZUHMIVSEKD-UHFFFAOYSA-N 444.469 2.556 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc(-c3cccs3)n2N)n1 8982733 WOOPJWWQBAALOP-UHFFFAOYSA-N 443.514 2.586 0 40 IFAB COc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)cc1S(=O)(=O)N(C)C 9076823 DKIDRPRSKMAEIE-NRFANRHFSA-N 449.598 2.955 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1OC 9224678 YZZJQNDGVWZEMI-UHFFFAOYSA-N 448.526 2.628 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 9349161 XGMUHOTVUOYQFL-UHFFFAOYSA-N 448.932 2.719 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421305 OVQWRPVKQDPNEN-CYBMUJFWSA-N 438.879 2.589 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCCO2 9464672 AFZBTISHRGWZCR-CQSZACIVSA-N 449.554 2.757 0 40 IFAB COc1ccc([C@H](CNC(=O)CN2CCC[C@H](C(N)=O)C2)c2c[nH]c3ccccc23)cc1 9619460 SOWFAYDYJAUDDB-RXVVDRJESA-N 434.540 2.622 0 40 IFAB Cc1nc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2s1 9662481 LOYSMEXTGDLFAE-UHFFFAOYSA-N 437.568 2.868 0 40 IFAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(C(N)=O)cc2)cc1 9671546 MVZWDPNAMUZCKH-JOCHJYFZSA-N 449.532 2.848 0 40 IFAB O=C(CNC(=O)NCc1ccc(F)cc1)Nc1cc2c(cc1Br)OCCO2 9734413 DHPJKHLXWHIICV-UHFFFAOYSA-N 438.253 2.797 0 40 IFAB CCOc1ccccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 10233767 DDVJFIVOGKCQSP-UHFFFAOYSA-N 433.443 2.880 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 10382289 RZQOEGVVQICQNB-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 11698127 LQCCKXJLCZJFQV-UHFFFAOYSA-N 443.481 2.977 0 40 IFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1F 13955876 VCARHHQRBSNRGG-UHFFFAOYSA-N 435.431 2.893 0 40 IFAB CCOC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 14627189 YKKGRYPKKQXCRF-UHFFFAOYSA-N 437.562 2.914 0 40 IFAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)no1 15673421 SJMCUVYMBILBPI-WMZOPIPTSA-N 443.544 2.581 0 40 IFAB biogenic,in-vitro O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 18032992 RMFISHJSQJVLNJ-IAGOWNOFSA-N 440.887 2.832 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cc3nonc3C)C2)c1 19693912 DIUHXHZZFZKYPO-QGZVFWFLSA-N 436.516 2.858 0 40 IFAB CC(=O)N1CCC[C@@H](c2nc(CN(C)C(=O)CCc3ccccc3F)cc(N(C)C)n2)C1 19752020 ZMARLALWRIVNAM-LJQANCHMSA-N 441.551 2.999 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCC(C)C)cc2c1 19824453 DDUHUVRCNWVXQH-UHFFFAOYSA-N 446.617 2.592 0 40 IFAB O=C(COc1ccccc1)Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1 20984106 ZIGYEZPHBDTRCR-UHFFFAOYSA-N 431.524 2.917 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2F)n1N 21108812 DNODSUOMZKZAPJ-ZDUSSCGKSA-N 440.504 2.578 0 40 IFAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCCO3)c(C)n1[C@@H]1CCS(=O)(=O)C1 23264216 VRVBYLKLBDJHAE-QGZVFWFLSA-N 447.509 2.666 0 40 IFAB NC(=O)[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 23575723 WALDPVJXLMACPX-YJBOKZPZSA-N 436.917 2.511 0 40 IFAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4nccs4)CC3)cc2)c1C 24824298 RIJWWONXYJBYFP-UHFFFAOYSA-N 425.514 2.776 0 40 IFAB CSc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1C(=O)N1CCOCC1 26117423 HTRCMAJBRUNNMV-UHFFFAOYSA-N 432.633 2.691 0 40 IFAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Br 32096425 BSAHNQHZUKPYEM-GFCCVEGCSA-N 434.265 2.696 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(-c2cn3ccsc3n2)cc1 32449325 WPOFPYLHQSGOAM-UHFFFAOYSA-N 438.490 2.846 0 40 IFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32781567 KLURMLCPJAFJSZ-HSZRJFAPSA-N 446.551 2.926 0 40 IFAB O=C(Nc1ccc(N2CCCC2)nc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 33241455 DWWUVNDYCHLPLV-UHFFFAOYSA-N 428.558 2.862 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(Cl)cc1 36225148 QXFNHINEDLDLRZ-UHFFFAOYSA-N 437.949 2.927 0 40 IFAB O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43941940 COWZZLYJALPXCI-UHFFFAOYSA-N 429.904 2.983 0 40 IFAB COc1cc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)ccc1OC(C)C 44905332 UTDKKPKABDDEAL-FQEVSTJZSA-N 448.541 2.716 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccsc2c1=O 57425860 FVZGUPBEJGGYJM-UHFFFAOYSA-N 432.527 2.794 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988506 FEUDDXWTVOPGMP-IBGZPJMESA-N 432.498 2.728 0 40 IFAB CCc1ccc(CNC(=O)Cn2nc3cc(-c4ccc(OC)cc4)nc(C)n3c2=O)cc1 67319405 HTDFVMJBPBWTBA-UHFFFAOYSA-N 431.496 2.754 0 40 IFAB COc1cccc(C(=O)NCCNC(=O)Nc2ccccc2I)c1 72280568 UCWSAKDVIXSMEQ-UHFFFAOYSA-N 439.253 2.851 0 40 IFAB FC(F)(F)Cn1c(SCc2ccc(-n3ccnc3)nc2)nnc1N1CCOCC1 72312958 LJTAOBFMKMFUAJ-UHFFFAOYSA-N 425.440 2.550 0 40 IFAB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)c1 79112466 QAZRUFLBXRPDMT-LJQANCHMSA-N 445.497 2.609 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@@H]1c1ccc(F)cc1 95348806 YMNUHJAJMNGMCO-GOSISDBHSA-N 438.546 2.814 0 40 IFAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccccn4)CC3)c3ccccc32)CC1 96052959 XNIZCKIFAOLHSJ-HXUWFJFHSA-N 432.568 2.907 0 40 IFAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1 96117127 PLBRWAZAJCKKQV-HNNXBMFYSA-N 430.530 2.941 0 40 IFAB CC(C)n1c(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21 96231669 DZVWXAMPLJRZIP-IBGZPJMESA-N 433.512 2.787 0 40 IFAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccccc2-n2cccn2)C3)c(OC)n1 100728510 OVHOSNHUEIHXQL-RTBURBONSA-N 435.528 2.799 0 40 IFAB Cn1/c(=N/C(=O)CSCC(=O)N2CCN(c3ccccc3)CC2)sc2ccccc21 100825446 PUYZNEDLRMGDIA-FCQUAONHSA-N 440.594 2.749 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@@H]3C2=O)c1 101261847 YTNZDYOTVRDDIH-OALUTQOASA-N 448.439 2.556 0 40 IFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c1Cl 106914004 MDQAGVIRVRKKJF-XQQFMLRXSA-N 436.405 2.998 0 40 IFAB C[C@H]1CN(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@@H](C)O1 106928624 XIPZRANJHIAQPA-KGVIQGDOSA-N 439.556 2.766 0 40 IFAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 113965218 ABWXVICFRKKTQS-INIZCTEOSA-N 448.541 2.890 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCc3ccc(OC)c(OC)c3)ccc21 223433688 OPYMFXXGZUTUPC-UHFFFAOYSA-N 432.542 2.914 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1Cl 224316093 GAWDMLKCSRVOMZ-UHFFFAOYSA-N 432.911 2.764 0 40 IFAB Cc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 224340841 MHXCFTKAXFFROQ-UHFFFAOYSA-N 432.542 2.662 0 40 IFAB Cc1ccc(OCCCNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1 594813860 CDSAVQBQCYBMND-QFIPXVFZSA-N 438.572 2.961 0 40 IFAB COc1ccc([C@H](CC(=O)O)NC(=O)CCc2nc(O)c3ccccc3n2)cc1OC 624353401 DDALSQAAJSXCMO-INIZCTEOSA-N 425.441 2.617 0 40 IFAB COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 949256 UMVJZZWDWSOJGK-UHFFFAOYSA-N 440.481 2.933 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC 1098558 ZGOAEASDCSCTII-CFINBHSISA-N 444.896 2.663 0 40 IFAB N=C(N)Nc1ccc(C(=O)Oc2ccc(OC(=O)c3cccc(NC(=N)N)c3)cc2)cc1 1730021 BGQPHWXZJKZDBP-UHFFFAOYSA-N 432.440 2.736 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)no1 2652912 FXBIEJKNDWHNCR-UHFFFAOYSA-N 441.893 2.607 0 40 IFAB Cn1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ncc(Br)cn4n3)cc2)n1 2808893 BZKMUGDFCYZEPF-UHFFFAOYSA-N 440.261 2.730 0 40 IFAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C)n1C[C@H]1CCCO1 9127091 YSWXSSUGLRPKNJ-MRXNPFEDSA-N 437.587 2.904 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C 9264065 PWBZXKGMEGINKI-LBPRGKRZSA-N 446.558 2.889 0 40 IFAB Cc1cccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 9303503 QZEUTGNPVQSPRT-UHFFFAOYSA-N 429.542 2.541 0 40 IFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1 9316214 LRTFLFDUFYNADN-UHFFFAOYSA-N 428.543 2.659 0 40 IFAB O=C(CN1CCc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9339017 PAJLEAMISBNJCZ-UHFFFAOYSA-N 426.476 2.576 0 40 IFAB O=C(COc1ccc2ccccc2c1)Nc1nnc(SCC(=O)N2CCOCC2)s1 9391029 WKVIGHALOUYGER-UHFFFAOYSA-N 444.538 2.660 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4Cc3ccccc3)n(C)c2=O)cc1 9519109 QMFOPQUPOCLZPB-GOSISDBHSA-N 429.524 2.910 0 40 IFAB CCOc1ccccc1OC[C@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 9849437 PIFMYRDXXMJVCT-OAHLLOKOSA-N 444.347 2.908 0 40 IFAB COc1ccc(CN2C(=O)C[C@@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1 9906811 YHUKBPJXPONGJQ-LJQANCHMSA-N 436.537 2.755 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12268782 MDHNIHVPPYSOAG-SCUMNGBJSA-N 447.553 2.885 0 40 IFAB COc1cc(OC)c(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 12759100 VOJADSDWBLWLBY-OAHLLOKOSA-N 438.933 2.989 0 40 IFAB CSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12886792 DGHSZWUWTQDKMW-UHFFFAOYSA-N 445.610 2.842 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12975124 AFJUKSLDRXDDJQ-UHFFFAOYSA-N 436.917 2.648 0 40 IFAB CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1cnn(Cc2ccccc2)c1 12999997 UREQEMSMTPUGGK-UHFFFAOYSA-N 435.547 2.847 0 40 IFAB CC(=O)N[C@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13085026 KRRWBCAPQRHWGI-HSZRJFAPSA-N 436.556 2.533 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccncc3)C2)cc1Cl 13119421 YQVFLWRJWGDNCM-INIZCTEOSA-N 437.949 2.851 0 40 IFAB Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 13793620 DOZKVQZRQVYHML-JKSUJKDBSA-N 437.587 2.931 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3CC)n2C)s1 13956079 MMRBYPOYINPRRM-UHFFFAOYSA-N 445.574 2.703 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 14247375 IGKIEIXUVCWXIL-UHFFFAOYSA-N 431.539 2.842 0 40 IFAB CCC(=O)NC1=N[C@@]2(C(=O)N(CC)c3ccccc32)n2c(nc3ccccc32)N1C(=O)CC 14608216 RRNQTSNTASHRSZ-XMMPIXPASA-N 444.495 2.743 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1OC 14796980 ODLLUANZERBPIA-NSHDSACASA-N 443.319 2.772 0 40 IFAB COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15958548 HJECLTDIELNFIK-HOSCZWGSSA-N 433.508 2.662 0 40 IFAB biogenic CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527505 YEKLIPUZOFHKLZ-NRFANRHFSA-N 430.508 2.600 0 40 IFAB CCN(CCNS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 19691316 CSALXHBOWDAFSW-UHFFFAOYSA-N 437.370 2.983 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)c1ccc3c(c1)CCCN3C)C2 19707102 ITXFPRMAGVXCDG-JOCHJYFZSA-N 448.571 2.783 0 40 IFAB CN1CCN(C(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 22714602 IZAOCTDRFNYWHH-UHFFFAOYSA-N 427.508 2.575 0 40 IFAB CCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 26011496 SDUGITMYIUHACM-NSHDSACASA-N 427.885 2.534 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 26842373 ATQWRKBQTIPVJZ-UHFFFAOYSA-N 431.920 2.876 0 40 IFAB COc1ccc(Cc2nnc3sc(SCC(=O)Nc4ccccc4)nn3c2=O)cc1 27526624 GGFPZGQZNIMTPL-UHFFFAOYSA-N 439.522 2.876 0 40 IFAB Cc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)c2C)cc1 29671516 BQKRHBLWYVBSDZ-UHFFFAOYSA-N 432.480 2.816 0 40 IFAB Cn1c(=O)n(Cc2nc(-c3ccc(Cl)cc3)no2)c(=O)c2ccc(C(F)(F)F)nc21 31452155 RXBVVINDZKBTJY-UHFFFAOYSA-N 437.765 2.866 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 38771386 OTABUHNHNXCATI-SFHVURJKSA-N 444.582 2.959 0 40 IFAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 48260571 NOOLUYJOJONHHC-IBGZPJMESA-N 426.561 2.644 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c(OC)c1 49008771 DBHBBJLAYWOHIE-UHFFFAOYSA-N 437.481 2.698 0 40 IFAB O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)cc1Cl 51316932 DOHYIFVGIITEQI-UHFFFAOYSA-N 429.814 2.806 0 40 IFAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3sccc32)c1 57428183 SJUABBHMHBKGIU-UHFFFAOYSA-N 449.488 2.949 0 40 IFAB COC(=O)C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccc(Br)c1 58113336 NBEMLWLZENFCCD-OAHLLOKOSA-N 446.301 2.523 0 40 IFAB COC(=O)c1c(C)nsc1NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 58162846 OGWYOFYLDRZYJG-UHFFFAOYSA-N 448.936 2.889 0 40 IFAB CCOCCOc1ccc(S(=O)(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)cc1 78808803 JQFPTYNKJAPCKC-FQEVSTJZSA-N 447.513 2.870 0 40 IFAB COC(=O)c1nc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)sc1-c1ccccc1 79492164 DJGUIYKZCDVAPF-UHFFFAOYSA-N 427.482 2.855 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 222635251 VCRQIYOLJHRYMJ-LBPRGKRZSA-N 428.457 2.625 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CCN1CCOCC1 223126882 APORXRLDGGUEEX-VXKWHMMOSA-N 434.569 2.572 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223233340 RXRRNYAFVGHYLF-SFHVURJKSA-N 441.597 2.911 0 40 IFAB CC(C)(C)c1ccc(OCCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 223648773 KEMSNWDIWKJVAU-UHFFFAOYSA-N 430.526 2.714 0 40 IFAB Cc1c(Br)cnc(NC(=S)NCCN2CCOCC2)c1Br 223892152 CCQDQEGEVWEYQX-UHFFFAOYSA-N 438.189 2.534 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1F 224814798 XQWMGDCSZDSOLX-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 224929175 CKNNRDOMLJVWKY-UHFFFAOYSA-N 425.510 2.913 0 40 IFAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCCNc1ccnc2cc(Cl)ccc12 225876585 NFAIGBIGSZBKOM-UHFFFAOYSA-N 439.950 2.867 0 40 IFAB COCC(=O)N1CCC(C)(C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)CC1 257216176 CTLKZNIYVVUHMJ-YKSBVNFPSA-N 448.535 2.630 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 260834421 LVEKXYPZZVMFSF-JKSUJKDBSA-N 448.541 2.807 0 40 IFAB COc1ccc(NC(=O)c2cnc3n2C[C@H](NC(=O)c2cccc(N(C)C)c2)CC3)cc1 306126215 DPUNEXIIOAPCCZ-GOSISDBHSA-N 433.512 2.955 0 40 IFAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O 409121553 XWIOROMSDMFQOR-UHFFFAOYSA-N 447.557 2.794 0 40 IFAB C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 1180728730 HTIMKPRNTAQZQD-AZUAARDMSA-N 430.302 2.670 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775968348 ZLTIFYPYJYLQCA-UHFFFAOYSA-N 432.468 2.930 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Br)cc1 1849336 BGSPSXBNQGDYCI-UHFFFAOYSA-N 445.063 2.961 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCc4ccccc43)cc2c1 6135223 ZBFRNFONPGQVSV-QFIPXVFZSA-N 430.512 2.876 0 40 IFAB O=C(O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)cc1 6198754 HVBJHYGVZLQDBQ-UHFFFAOYSA-N 428.260 2.500 0 40 IFAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 8724075 ZCOFSUAQKHIGMY-DEOSSOPVSA-N 435.480 2.558 0 40 IFAB CCOC(=O)c1cc(CC)sc1NC(=O)CNc1cccc(S(=O)(=O)N(C)C)c1 9584363 AKBFCGYZTQCMJA-UHFFFAOYSA-N 439.559 2.788 0 40 IFAB Cc1cc(C)nc(SCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)n1 9634457 AOULGDBJHQUGIP-UHFFFAOYSA-N 435.303 2.699 0 40 IFAB CCc1nn2c(=O)cc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)nc2s1 9726348 WNSWZIJOJZBWJG-ZDUSSCGKSA-N 429.483 2.901 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@@H]1c1ccccc1 9865196 XMXKDUMLYQOFIZ-HXUWFJFHSA-N 437.452 2.673 0 40 IFAB Cc1nn(CC(=O)NCc2cccs2)c(C)c1S(=O)(=O)N1CCc2ccccc21 11103454 LJMZEBBIMYALFV-UHFFFAOYSA-N 430.555 2.629 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)NCCCn1nc(-c2ccncc2)ccc1=O 11746956 GBQHFQVSRJJQBW-UHFFFAOYSA-N 432.402 2.909 0 40 IFAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)CC1 12512997 OEDUFXVBDXHRJA-MRXNPFEDSA-N 447.557 2.972 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)c1c(C)[nH]c2ccccc12 12795095 CFGFBOJRCBCWJM-QGZVFWFLSA-N 428.558 2.964 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12877598 WOFFIUMVBVFVAX-IBGZPJMESA-N 438.505 2.735 0 40 IFAB CC(C)n1cnn(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=S 12908017 LECSIPQMMXPVBG-UHFFFAOYSA-N 433.962 2.751 0 40 IFAB COCCNc1nnc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1 12979610 QOFPQIMVPPLFRO-ZDUSSCGKSA-N 448.574 2.514 0 40 IFAB CN(C)CCNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 13676542 KQBGWAHVYPCRPN-UHFFFAOYSA-N 433.618 2.598 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)cc1 14167098 QOJUCBGVWNIPGE-JXFKEZNVSA-N 433.302 2.964 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c(OC)c1 16047556 CFKMTQNGAKSQPJ-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2F)c1 16960686 ZIIAPBCTKUUYOI-UHFFFAOYSA-N 439.472 2.675 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2cccs2)c2ccco2)cc1 17043342 QKCGHAUEQCBFSA-SFHVURJKSA-N 432.523 2.597 0 40 IFAB COc1ccccc1OCC(=O)N1CC[C@@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 19213259 LFYYXXOJYSKVFE-QGZVFWFLSA-N 434.496 2.882 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21 19498259 YMQDVCNASJMDQQ-MRXNPFEDSA-N 426.480 2.852 0 40 IFAB CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)Nc2c(C)nn(C)c2C)C1=O 19500861 IDQDXHAZYVPIMX-VGSWGCGISA-N 438.484 2.854 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2cnccn2)CCO1 19529327 JZWKQVUXBSGCFN-RUZDIDTESA-N 430.508 2.734 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(CC(=O)N(C)C2CCCCC2)CCO1 19702722 JAKWABFOZOJGPT-QGZVFWFLSA-N 430.574 2.820 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1C(C)(C)C 19755172 YGSBLEZNYMSJDG-QGZVFWFLSA-N 432.546 2.716 0 40 IFAB Cc1ccc(Cn2ncc3c(C(=O)N4CCN(CCN5CCCC5)CC4)cc(C)nc32)cc1 23257636 DQZYWJUVKNMJKI-UHFFFAOYSA-N 446.599 2.950 0 40 IFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1C(=O)COc2ccc(Cl)cc21 23694606 XPXQOWJDVMEZKM-CQSZACIVSA-N 425.876 2.866 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccn(C)n1 24478582 IAJPRJXSAKRXJR-GFCCVEGCSA-N 437.374 2.766 0 40 IFAB O=C(Nc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1)c1cccs1 32722131 QXPVJZMHNXJDLG-MSOLQXFVSA-N 448.566 2.809 0 40 IFAB O=C(CN1CCN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1)NC1CC1 35388369 XGDJPVLXXGZGPG-UHFFFAOYSA-N 435.553 2.637 0 40 IFAB CCCn1c(CCC(=O)NCC(F)(F)F)nc2cc(S(=O)(=O)N3CCCC3)ccc21 36350967 MJRGOVRJPZCBAL-UHFFFAOYSA-N 446.495 2.842 0 40 IFAB CC(C)c1nc2c3ccccc3n(CC(=O)Nc3ccc(N4CCOCC4)cc3)c(=O)n2n1 40139308 TYLOFUYOZKSCJQ-UHFFFAOYSA-N 446.511 2.643 0 40 IFAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 48277842 CXUODXGUASQVCX-INIZCTEOSA-N 430.530 2.644 0 40 IFAB COCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2ccsc2c1=O 57425782 VNFWWCPGRPWRDB-UHFFFAOYSA-N 435.527 2.852 0 40 IFAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccc(-n2cncn2)cc1C(F)(F)F 58067089 SWSWLDNVXYZJIF-UHFFFAOYSA-N 447.421 2.839 0 40 IFAB CCOc1ccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 60082795 DQZGOSNYZABEPJ-INIZCTEOSA-N 425.485 2.510 0 40 IFAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4C)CC3)nc2N)cc1 71772095 CIXGVYZTWWAMND-UHFFFAOYSA-N 439.541 2.535 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Oc1ccc(N2CCCC2=O)cc1 78739138 JFQGHVRADMUVSS-IBGZPJMESA-N 448.566 2.819 0 40 IFAB CCOc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 78869323 SYMOHWGCVKWTJE-MSOLQXFVSA-N 432.517 2.548 0 40 IFAB O=C(CN1CCn2cccc2[C@@H]1c1ccccc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 84525727 ITKSIONSXRUPDD-QPPBQGQZSA-N 441.597 2.851 0 40 IFAB COc1ccc(CN2C[C@H]3CCN(C(=O)c4cccc(OC)c4)CC[C@H]3S2(=O)=O)cc1 96145391 CUNSKWANTVADBH-DENIHFKCSA-N 444.553 2.770 0 40 IFAB Cc1c(C(=O)CC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[n+]([O-])c2ccccc2[n+]1[O-] 100742349 NMDGCEFDWLGNQX-UHFFFAOYSA-N 434.235 2.502 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3)C2=O)cc1Cl 101168792 SDDJWDYPONSLJZ-MSOLQXFVSA-N 427.848 2.589 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1 211106453 HCEDUKYXKHKBPE-LJQANCHMSA-N 425.503 2.655 0 40 IFAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)cc1 220152306 XXQYVFPDARFVJS-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(F)c(F)c1 222601198 UXKDVBNACRRAHO-UHFFFAOYSA-N 440.468 2.566 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 223517800 DKGJJVFFTKITCB-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224115734 YTBCVWZKCPOEOJ-FQEVSTJZSA-N 449.548 2.535 0 40 IFAB O=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(N2CCCCS2(=O)=O)c1 224391433 ARONKNKHWFCOBC-UHFFFAOYSA-N 427.526 2.673 0 40 IFAB CCn1cnc2cc(C(=O)N3CCC[C@@H](CC(=O)NCCn4nc(C)cc4C)C3)ccc21 257273758 NIBVAQYAMPYWFG-IBGZPJMESA-N 436.560 2.928 0 40 IFAB Cc1ccc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)cn1 257302322 SCMJFOAJBQROJJ-YJBOKZPZSA-N 432.318 2.938 0 40 IFAB CN1CCN(Cc2cccc(C(=O)NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 257328231 XESYWEJSXAMSTK-UHFFFAOYSA-N 429.586 2.850 0 40 IFAB Cc1cc(C)cc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)c1 260899532 LSYVIZITHRPXDA-IBGZPJMESA-N 432.542 2.806 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O 408629512 CNDCXMQTKOQXIT-UHFFFAOYSA-N 425.894 2.712 0 40 IFAB CC1CCN([C@H](CNC(=O)Cc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 518748717 VOTMOSRZISDDRF-OAHLLOKOSA-N 427.617 2.589 0 40 IFAB CC[C@@H](NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(S(N)(=O)=O)c1 563323763 NTHZXVXKRFZVJH-MOPGFXCFSA-N 446.529 2.724 0 40 IFAB O=S1(=O)C[C@H](O)[C@@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)C1 575420921 LBDSYOHBVGGFRW-PMACEKPBSA-N 443.396 2.743 0 40 IFAB Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CC[S@](=O)C[C@@H](C)C3)c2)cc1 1220715432 WWZKTUNZYQPZIO-PBYQXAPXSA-N 427.570 2.835 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888921998 ZBVYRHMEKBJFMS-INIZCTEOSA-N 445.520 2.723 0 40 IFAB Cc1ccc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)cc1 2056226319 PDKZJZDGRBRFMR-RDGATRHJSA-N 434.540 2.627 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1372345 WGVAGHUBMZUDOC-UHFFFAOYSA-N 444.495 2.795 0 40 IFAB O=C(O)c1cccc(OCCOCCOCCOCCOc2cccc(C(=O)O)c2)c1 3844452 XORTWHDHXPYGBQ-UHFFFAOYSA-N 434.441 2.591 0 40 IFAB biogenic Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@@H](C(=O)O)C4)c12)OC(C)(C)CC3 8764224 CTUORLMLSBGOBR-CQSZACIVSA-N 429.469 2.907 0 40 IFAB biogenic CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 8917277 PQIFEDJTIOHOTE-YWZLYKJASA-N 439.489 2.924 0 40 IFAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c(C)c1 9157059 PFQXHFQTGRNYSK-UHFFFAOYSA-N 436.560 2.541 0 40 IFAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 9243446 QISVJFCSSMHMAE-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB Cc1ccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1F 9306412 FYBFOUCOGMDWLO-UHFFFAOYSA-N 447.532 2.680 0 40 IFAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 9306675 OLRNAFPWVCOWQE-INIZCTEOSA-N 431.514 2.693 0 40 IFAB COc1ccccc1N1CCN(C(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)CC1 9419617 VEIMOPGMUXCNRP-UHFFFAOYSA-N 440.496 2.872 0 40 IFAB CC(=O)Nc1ccc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 9507113 BIBVUOTVNVWUGP-UHFFFAOYSA-N 434.539 2.641 0 40 IFAB C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9519149 HSGFLPVTDXWZAJ-HNNXBMFYSA-N 425.508 2.873 0 40 IFAB CCCCc1ccc(-n2c(C)cn3c4c(=O)n([C@@H](C)C(=O)OC)c(=O)n(C)c4nc23)cc1 9712990 MCBKSJDQOBAMMX-HNNXBMFYSA-N 437.500 2.524 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 9938791 QPZQSQCFCAUBLR-CYBMUJFWSA-N 429.523 2.980 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@H](c2ccccc2Cl)n2nnnc2N1 10231872 YIYYZHSQQCNFTO-KRWDZBQOSA-N 425.832 2.660 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cccc(C)c1 10300935 MXDRCVACCUULMC-IBGZPJMESA-N 432.542 2.803 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1F 11375689 MUODTSRFRQKODY-DOTOQJQBSA-N 449.552 2.861 0 40 IFAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CNC2=O 12233661 GWGPWCSSTRGKGM-UHFFFAOYSA-N 436.917 2.694 0 40 IFAB CCc1[nH]c(C(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1C(=O)OC 12533356 JQAUEBUWVYFQBK-MRXNPFEDSA-N 427.501 2.566 0 40 IFAB Cc1ccc(-c2csc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)c(C)c1 12775701 OWPXJIVWOWLPEG-CQSZACIVSA-N 446.554 2.531 0 40 IFAB CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 13127386 DUKUAZVBJSQJNS-YJYMSZOUSA-N 429.498 2.550 0 40 IFAB CSc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccc(C)cc2)cc1 13675987 ULNJIGLEBICJIQ-UHFFFAOYSA-N 435.615 2.980 0 40 IFAB COc1ccccc1NC(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 16973742 APWFTGCHUCIKAX-UHFFFAOYSA-N 438.484 2.693 0 40 IFAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCCc1c[nH]c2ccccc12 17295955 AJYQHWZSEWQMRL-UHFFFAOYSA-N 426.480 2.882 0 40 IFAB CCc1cc(C(=O)N2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccc(OC)c(OC)c3)C2)on1 19522756 MGTGFLCTPBFGME-DLBZAZTESA-N 438.484 2.669 0 40 IFAB CCn1cc(C(=O)N2CCC(O)(Cn3ccc4nc(-c5ccncc5)ccc43)CC2)cn1 19524859 SKZBLKFNVKXCIF-UHFFFAOYSA-N 430.512 2.982 0 40 IFAB O=C1N(CCc2ccccc2)CC=CC[C@@]12CN(Cc1ccnc(N3CCCC3)n1)CCO2 19704487 WIUVPTWYXVMTIM-AREMUKBSSA-N 447.583 2.679 0 40 IFAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCCN2CC1CC1 19706270 DVXXLVKWHXSNGD-SFHVURJKSA-N 430.578 2.597 0 40 IFAB Cc1cc(NC(=O)CN2CC[C@@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)no1 19738859 ALHLDNONDDXFKM-QGZVFWFLSA-N 440.548 2.835 0 40 IFAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ncc1C(=O)N1CCCCC1 19763293 ZAQDEOLWDLQNJM-KRWDZBQOSA-N 447.561 2.584 0 40 IFAB CC(C)(C)c1ccccc1OC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 22021142 VTEVNHUIKVBJJX-UPCLLVRISA-N 440.496 2.920 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OCC 23805714 QUPFCGDAMTZCGO-DEOSSOPVSA-N 439.512 2.610 0 40 IFAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 24870091 DXMJSDPLMTZQAK-IBGZPJMESA-N 446.507 2.813 0 40 IFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(CN2CCCCC2)c1 31620431 QLGKUZXWCHKPHV-UHFFFAOYSA-N 426.542 2.740 0 40 IFAB CCCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)Nc2ncnc3c2cnn3C)c1C 36621493 VOLNCPQYTKNCGX-UHFFFAOYSA-N 444.446 2.560 0 40 IFAB C[C@@H]1CCc2nc(NC(=O)c3nn([C@@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 40988234 ISZCLNQQYLQFFO-CHWSQXEVSA-N 434.587 2.955 0 40 IFAB COC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 57414438 AXLSGVDKUAXNDD-OAQYLSRUSA-N 425.485 2.617 0 40 IFAB O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 57985993 LDIXZQTZENGLTF-LBPRGKRZSA-N 445.385 2.903 0 40 IFAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)Cc2ccccc2)c1=O 67205359 IIVFGTCQACDWJD-UHFFFAOYSA-N 449.532 2.940 0 40 IFAB CCC[C@H](C(=O)Nc1ccc(CC(=O)N(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 72308058 YSLBCVDRBZKXPQ-HXUWFJFHSA-N 446.592 2.977 0 40 IFAB CNc1cc([C@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)C3CCCCC3)CC2)n1 72341532 UCULIZHBCNWRDZ-IBGZPJMESA-N 443.592 2.767 0 40 IFAB NC(=O)C1CCN(C(=O)C2(Cc3cc(-c4ccc(F)cc4F)no3)CCOCC2)CC1 72394544 YVPDPOYLMKZHOI-UHFFFAOYSA-N 433.455 2.683 0 40 IFAB O=S(=O)(Nc1ccccn1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 95469820 XUJVKTMXNPPUAY-UHFFFAOYSA-N 425.438 2.961 0 40 IFAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)[C@@H]1CC(=O)N(Cc2ccccc2F)C1 96232261 FFDDQGNEFJOWNN-QGZVFWFLSA-N 445.516 2.743 0 40 IFAB CCOc1cccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 224137963 VNEUKJVMQVMTPB-UHFFFAOYSA-N 430.577 2.842 0 40 IFAB CSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)s1 225557431 YVCHCBCSHWDUHO-JTQLQIEISA-N 432.980 2.953 0 40 IFAB COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccccc1Br 238818649 CBTROXUSANWWMR-SFHVURJKSA-N 426.332 2.960 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 257316845 VHGRWJUSGGIVJU-IBGZPJMESA-N 447.495 2.936 0 40 IFAB COc1ccc([C@H]2CN(C(=O)c3cc(C)nc(N4CCCCC4)n3)CCN2C(C)=O)cc1 257338474 YXNLPUTTYGVJQN-JOCHJYFZSA-N 437.544 2.830 0 40 IFAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C(C)C 260945453 VFJKBAXMHWKLPM-IRXDYDNUSA-N 425.595 2.823 0 40 IFAB Cc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 306142571 XDNHAUNNAALRLY-NOZRDPDXSA-N 429.524 2.577 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408658265 QLOFECDEOYJUFO-MRXNPFEDSA-N 442.443 2.927 0 40 IFAB COc1ccc(CCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1OC 408678982 HAANTMHBRGRHAI-UHFFFAOYSA-N 434.558 2.917 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)cc1 409062329 RZKRRGODPUJWHD-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1C 409257473 PINWKBGQKAHLKI-UHFFFAOYSA-N 440.905 2.848 0 40 IFAB CCc1noc(C)c1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643556830 QBQWXCSUFRHDDL-XMMPIXPASA-N 441.528 2.678 0 40 IFAB CC1(C)CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)[C@H]1c1ccncc1 1526775035 BFQFANUWOZJFMC-REWPJTCUSA-N 436.556 2.764 0 40 IFAB COc1cccc(N2C[C@]3(COCCN(C(=O)c4cccc(Cl)c4)C3)OCC2=O)c1 2055803611 UNAGAOLLGKUVQT-JOCHJYFZSA-N 430.888 2.623 0 40 IFAB COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 677156 NBVJIVWPYQSSJG-UHFFFAOYSA-N 435.571 2.828 0 40 IFAB COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)NCCCO 2296588 GIGOTERDVGGELR-GHRIWEEISA-N 433.302 2.727 0 40 IFAB Cc1ccccc1CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 9062558 KIYHSDAVCDZWLW-UHFFFAOYSA-N 441.597 2.740 0 40 IFAB CSCC[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)c2ccccc2C1=O 9493135 ZAOFOYZBBQVNPJ-HXUWFJFHSA-N 441.528 2.892 0 40 IFAB COc1cc(-c2nnc(CN3C(=O)NC4(CCC(C)CC4)C3=O)o2)cc(OC)c1OC 9509230 OGJUFGRNCUYDIJ-UHFFFAOYSA-N 430.461 2.763 0 40 IFAB COc1cc(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)ccc1OC(F)F 10082285 OVJLKVRFAHWJGC-UHFFFAOYSA-N 426.441 2.767 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10357617 MJADKIPHASQOHS-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccccc2Br)CC1 10557143 CHJDTRRBCWJDHE-UHFFFAOYSA-N 433.302 2.963 0 40 IFAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O 11711703 ODTNDJCWVJPAEC-OAHLLOKOSA-N 432.498 2.669 0 40 IFAB COc1ccccc1CCN1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2C)C1 12372487 FPDOGHHJURBBIT-UHFFFAOYSA-N 426.904 2.924 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O 12415331 JAXNDGSFRJXYEA-UHFFFAOYSA-N 441.912 2.879 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCCc3cccc(OC)c3)cs2)cc1 12628308 SWRRBZWOEZASDY-UHFFFAOYSA-N 447.538 2.934 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(-n5cncn5)cc4)CC3)n2)cc1 12762625 OUTRUOOYFNGPEF-UHFFFAOYSA-N 429.484 2.584 0 40 IFAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12860310 SDPWABRWYXBXOL-HXUWFJFHSA-N 433.961 2.666 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 12887518 AXXQLMJSEOMOIG-HBIPQXQFSA-N 441.534 2.592 0 40 IFAB biogenic Cc1occc1-c1nnc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1C 13114832 FWXLPYBPTZAUFA-MRXNPFEDSA-N 446.554 2.696 0 40 IFAB COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)CC2 13573517 HASFYLVAANDRTB-UHFFFAOYSA-N 427.892 2.935 0 40 IFAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 14095010 NSIJDFXFCREITM-QGZVFWFLSA-N 426.498 2.537 0 40 IFAB CCOC(=O)C1=C(COC(=O)COc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccco1 18221077 FJGYIJGIMNZQOF-GOSISDBHSA-N 434.832 2.726 0 40 IFAB CC(C)c1ccc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19453232 AOVVKESKLHREBX-IBGZPJMESA-N 444.601 2.591 0 40 IFAB C[C@H](Cc1ccccn1)N(C)C(=O)CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19456923 HUXXTZKLBSORQD-LJQANCHMSA-N 437.588 2.634 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19757978 IAUWRBKNPTXMDJ-HNNXBMFYSA-N 441.919 2.629 0 40 IFAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)ccc1Cl 22515966 IYTJAMCMMYGSER-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NCCSc3ccccc3)C2=O)cc1 24105659 NQQOGDDGKZMTMT-QHCPKHFHSA-N 441.553 2.847 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109772 RBBFNKKZAJZBQB-OAHLLOKOSA-N 448.416 2.699 0 40 IFAB CCN1CCN(C(=O)[C@H](C)OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 32893197 IXXHGZUBMPXMSW-INIZCTEOSA-N 428.508 2.600 0 40 IFAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 40135673 ZJHRYQPJFMHCFM-UHFFFAOYSA-N 442.947 2.856 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 49581396 BSBGLCWNHOPRMC-QHCPKHFHSA-N 449.551 2.542 0 40 IFAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)NCc3ccc(F)cc3)cnc21 57428341 UVLKSWMTNQXIIN-UHFFFAOYSA-N 425.851 3.000 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489672 IGVXVCKIQXPMMW-UHFFFAOYSA-N 449.488 2.948 0 40 IFAB COC(=O)CN(Cc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 59327025 RFBBEZDPJDUQEI-LJQANCHMSA-N 428.916 2.933 0 40 IFAB Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 61939536 PVKQPGDRCQFJJK-UHFFFAOYSA-N 429.542 2.733 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1cccc(C)c1 64817669 SHIKMNNYFLAWSU-UHFFFAOYSA-N 449.486 2.823 0 40 IFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3scnc3C)nc(N(C)C)c2C1 72372317 GAKMGARYWSMZAU-KRWDZBQOSA-N 428.562 2.580 0 40 IFAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1c(C)nn(-c2ccc(F)cc2)c1C 72401990 NLGDRCHRSGOIFC-QGZVFWFLSA-N 430.432 2.864 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)NCCc1cccc2cccnc12 78282190 QDBKIQGXOHLCLW-UHFFFAOYSA-N 438.478 2.630 0 40 IFAB CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 81213913 ITYMTTQVNYAJAA-YLHUGRMWSA-N 448.531 2.857 0 40 IFAB CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC[C@@H]1S(C)(=O)=O 83855556 JLCGXPJZLGJICT-IRXDYDNUSA-N 449.495 2.971 0 40 IFAB COC(=O)Cn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(C)ccc21 100876011 SECKPBATXWCVQK-DQRAZIAOSA-N 430.482 2.951 0 40 IFAB CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 104203741 DWYLVRIABMZPDY-FUHWJXTLSA-N 441.509 2.822 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 220105121 MPABOLVWEXYUHK-UHFFFAOYSA-N 426.560 2.882 0 40 IFAB C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224111737 JXLUDNLOJUJPON-AWEZNQCLSA-N 438.933 2.625 0 40 IFAB COCc1cccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)c1 224581552 QQEYXIZAUQBGCM-UHFFFAOYSA-N 432.498 3.000 0 40 IFAB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955217 WYPASXRXZUZPGD-UHFFFAOYSA-N 429.878 2.734 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225735970 BJZAXXQITPSFRP-HNNXBMFYSA-N 429.420 2.901 0 40 IFAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1Cl 225812256 SFTGQPCOLKVSAR-UHFFFAOYSA-N 436.961 2.971 0 40 IFAB COCCC(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257288085 PSTAKUDDTMLJPR-FQEVSTJZSA-N 427.549 2.601 0 40 IFAB CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)CC1 409196482 ZKZKYIOGLJHIIE-ZHACJKMWSA-N 446.525 2.573 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)NC1=S 409199407 CYJKUSUFMJOQNA-YVLHZVERSA-N 426.494 2.813 0 40 IFAB CCN1CCN(Cc2ccc(CNC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc2)CC1 500641318 IKOINBLRIQHKPG-KRWDZBQOSA-N 437.544 2.865 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 524733082 RRQSDKQBRNZHRR-PMACEKPBSA-N 432.480 2.811 0 40 IFAB CNC(=O)NC[C@@H]1CN(C(=O)NCc2ccccc2COc2ccccc2Cl)CCO1 1564039407 GCGHTDKWRNAXGR-GOSISDBHSA-N 446.935 2.758 0 40 IFAB C[C@H]1CN(C(=O)CN2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)C[C@@H](C)O1 1888994953 CCQLTHBABYGSCU-HDICACEKSA-N 446.555 2.902 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 885032 PUKGCHUVBLHROQ-UHFFFAOYSA-N 448.541 2.967 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 916464 MEZDTZKJGAEBEK-UHFFFAOYSA-N 425.913 2.594 0 40 IFAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ncc(Cl)cc1Cl 6144362 YPCKKXIXFOIBBD-SECBINFHSA-N 432.285 2.944 0 40 IFAB COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCc2ccccc21 6244814 UYXUSGKYFKDBKL-QFIPXVFZSA-N 430.512 2.930 0 40 IFAB Cc1oc2cc(OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 8965878 PBPWNBXZMWHDPO-KRWDZBQOSA-N 441.505 2.793 0 40 IFAB Cc1cc(C)n2nc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2n1 9253207 AYTMXMAAMBYTTA-MRXNPFEDSA-N 425.514 2.968 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCCO2 9464669 AFZBTISHRGWZCR-AWEZNQCLSA-N 449.554 2.757 0 40 IFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 9465594 LSENVHKZQXJWCQ-BSEYFRJRSA-N 435.480 2.741 0 40 IFAB COC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 9479939 VYTBJNSTRSCZJF-UHFFFAOYSA-N 430.404 2.799 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9712537 PGVHSSVKGIIOTN-HXUWFJFHSA-N 443.525 2.918 0 40 IFAB Cc1cc(C(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)c(C)n1C 9716354 LGMHWGWXLDSVHF-UHFFFAOYSA-N 447.539 2.902 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)cc1OC 9739327 CZGADQNSLGTZOF-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1c[nH]c2ccccc12 10733677 DIQKRDNRNPVEJR-HNNXBMFYSA-N 442.493 2.617 0 40 IFAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12555575 OWIQEXRUEPYZQA-UHFFFAOYSA-N 446.529 2.821 0 40 IFAB CN1C(=O)N(CC(=O)Nc2ccc(I)cc2)C(=O)C12CCCCC2 12773556 JDTVTJSUXRACOF-UHFFFAOYSA-N 441.269 2.827 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1 13010607 NGJZLSZSMMOAKM-OAQYLSRUSA-N 425.529 2.777 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)OC(C)(C)C)ccc2Cl)C[C@@H](C)O1 13287706 FVPCFEVTAHXZMH-BETUJISGSA-N 447.937 2.636 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 13679736 UGUIUPKYVZITCT-CQSZACIVSA-N 430.954 2.605 0 40 IFAB COc1cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc(OC)c1OCC(N)=O 15513616 OTEUSQWMASRWRA-CYBMUJFWSA-N 448.545 2.509 0 40 IFAB COc1ccc(CNC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn23)cc1 16841869 CGFOJEGBWGQXOJ-UHFFFAOYSA-N 439.472 2.641 0 40 IFAB C[C@@H](NC(=O)COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1cccs1 18407556 JDSIHZSQAIQEOZ-CQSZACIVSA-N 449.488 2.775 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NCc1ccccc1Cl 19077866 KJXMYPQVNLIMFH-INIZCTEOSA-N 438.962 2.964 0 40 IFAB C[C@@H](NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)c1ccncc1 19459747 CXIWXQRPBMFREK-OAHLLOKOSA-N 429.904 2.996 0 40 IFAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2c(C)n[nH]c2C)nc2c1CCC(=O)N2CC(C)C 19741943 BCVQJILTPDCKFI-QGZVFWFLSA-N 446.577 2.586 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4cnn(C)c4)nc32)cc1 19744342 JEUCKLJNVSPBQG-FQEVSTJZSA-N 446.511 2.594 0 40 IFAB O=C(N[C@H]1Cc2ccc(S(=O)(=O)N3CCN(C4CCCC4)CC3)cc2C1)C1CCCC1 19749595 VIOJERBCKUZRKD-NRFANRHFSA-N 445.629 2.709 0 40 IFAB Cc1nc(C2CCN(C(=O)c3cccnc3N)CC2)ncc1C(=O)NCc1ccc(F)cc1 19763925 HNVNQTHGMVLQCG-UHFFFAOYSA-N 448.502 2.851 0 40 IFAB COc1ccc([C@@H]2N=C3NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 19960394 MLCZYSQSTFIVEQ-HTAPYJJXSA-N 448.527 2.776 0 40 IFAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 20458317 KAGBCJQQOKIVFP-IBGZPJMESA-N 438.933 2.971 0 40 IFAB CCOc1cccc(N(CC(=O)NCCCc2ccccc2OCC)S(C)(=O)=O)c1 22394574 CNVIOTSHJXXTJK-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(-c3nnco3)c2)cc1 23075365 LRAVONSZSXSDLL-UHFFFAOYSA-N 442.497 2.979 0 40 IFAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1nc2ccccc2s1 23107230 VRRINYLRKLCNBB-KRWDZBQOSA-N 428.489 2.564 0 40 IFAB CCOC(=O)c1c(C)oc2nc(CSc3nc4ccccc4c(=O)n3C)nc(N)c12 23222816 IBDFGFZGIWGVJG-UHFFFAOYSA-N 425.470 2.829 0 40 IFAB COc1ccc(-c2nc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cs2)cc1OC 24508391 DPBGHMJAFFSOLS-UHFFFAOYSA-N 447.494 2.783 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl 24985648 CZQYECRUIQPNIS-MEBBXXQBSA-N 433.313 2.694 0 40 IFAB CC(C)n1c(N2CCN(C(=O)c3ccccc3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555796 QRIHQBOAGNALEJ-UHFFFAOYSA-N 434.496 2.711 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1OC 29759215 YXEWHXQRCDNHHA-CQSZACIVSA-N 427.339 2.630 0 40 IFAB CCOc1ncccc1CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 30307978 CIMNSVWRJXDSBA-UHFFFAOYSA-N 446.301 2.935 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)c(C)s1 32094549 RSVNRMFMUVXOQN-WBVHZDCISA-N 446.598 2.989 0 40 IFAB C[C@H]1CN(CCCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H](C)O1 40086628 MEBYILFTARBJIG-OWCLPIDISA-N 427.467 2.674 0 40 IFAB COC(=O)C[C@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)c1ccc(OC)c(OC)c1 58157744 RQILQJRDSLNBNP-INIZCTEOSA-N 427.461 2.720 0 40 IFAB CCN1CCN(CCCCNC(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 58168958 SNTMIHHYYDMFNF-UHFFFAOYSA-N 425.577 2.878 0 40 IFAB CCOC(=O)C1CCN(c2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(N)n2)CC1 67336132 RDKJRTKNZSCWJN-UHFFFAOYSA-N 432.546 2.795 0 40 IFAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(C(=O)N2CCOCC2)c1 71853605 AXWXIYBWXZBDNX-UHFFFAOYSA-N 439.556 2.820 0 40 IFAB C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCN2CCCS2(=O)=O)[C@@H]1C 72280618 VXTORAWHPUQEOC-LMMKCTJWSA-N 436.574 2.994 0 40 IFAB COc1cccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(OC)c3)C(C)(C)C2)c1 72308686 RISUXNSHPKNOBU-UHFFFAOYSA-N 440.544 2.677 0 40 IFAB CCC(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)c3ccnc(NC)c3)o2)CC1 72344853 SKXAXSAPCAEAAJ-KRWDZBQOSA-N 426.521 2.990 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)Cn1cccnc1=O 72370407 QFWSPDQXQNFJNZ-INIZCTEOSA-N 438.553 2.784 0 40 IFAB COc1ccccc1O[C@@H](C)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395652 KNZBMYDNTCKOJK-CWRNSKLLSA-N 435.475 2.983 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccccc1 89823049 FGRRKHQFFNOMPN-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB O=C(Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)N1CCOCC1 96103599 NTSDJMLUMGANDM-UHFFFAOYSA-N 444.431 2.787 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165643467 POEMEBQZOKKCGM-FQUGODAKSA-N 426.513 2.841 0 40 IFAB COc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 224026977 ABFUPYZKSUSYRA-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB Cc1ccccc1-c1noc(CN(C)C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)n1 224482537 JPDIEJPGXCXEIY-LJQANCHMSA-N 428.514 2.636 0 40 IFAB CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 229932353 OLYMSKIHWOMGRD-OZQHCQBDSA-N 446.500 2.924 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)cc1C 257314997 UZMBLFLINBWZBP-OAQYLSRUSA-N 442.541 2.870 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 408527524 DVPPGYYZFRPTHX-UHFFFAOYSA-N 438.933 2.623 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1 409124571 AZAWKAXODKKPQR-UHFFFAOYSA-N 427.482 2.614 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 409224516 IAWNWQWQRGZSHW-OQLLNIDSSA-N 445.859 2.897 0 40 IFAB CN1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 409412433 WTDDTIPENUKVPG-UHFFFAOYSA-N 442.368 2.963 0 40 IFAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(Cc3ccc(OCCN(C)C)cc3)CC[C@@H]2O)c1 585287660 QIACUQKLNHWXNI-UIOOFZCWSA-N 442.600 2.929 0 40 IFAB COc1ccccc1NC(=O)N(C)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971594 RDWDLZJQWBWBNY-UHFFFAOYSA-N 430.472 2.547 0 40 IFAB Cc1cc2ccccc2n2c(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)nnc12 1223216 SBQHQKVGERJLTG-UHFFFAOYSA-N 435.509 2.861 0 40 IFAB Cc1nn([C@@H](C)C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)cc1Br 2774972 VHGUDGNDTHDOAX-VIFPVBQESA-N 436.335 2.854 0 40 IFAB CC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 3007750 VFLPFCYMRWCDBM-UHFFFAOYSA-N 433.464 2.524 0 40 IFAB C/C=C/c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 3413555 ZNGTVXAQBODBHL-ONEGZZNKSA-N 448.516 2.779 0 40 IFAB COc1ccc2c3c1O[C@@H]1[C@H](Oc4nnnn4-c4ccccc4)C=C[C@@H]4[C@H](C2)N(C)CC[C@]341 5432881 UPQLBICYPVVGMW-WYKNMPDOSA-N 443.507 2.564 0 40 IFAB CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)NC4CCCCC4)CO[C@H]23)cc1 6131138 WRPUVJMMJWQOFS-MTQWCTHYSA-N 431.489 2.604 0 40 IFAB biogenic,in-vitro COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 8272811 YKVOPGBJQMKYJR-MTTLDHAHSA-N 429.517 2.868 0 40 IFAB COc1ccc(OCC(=O)NCCCCCCNC(=O)COc2ccc(OC)cc2)cc1 8400533 BNDQQOMJDAUUBW-UHFFFAOYSA-N 444.528 2.954 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C(=O)O)c1ccccc1 9129578 VKPFZCMHCWMCPF-PNHOKKKMSA-N 438.484 2.512 0 40 IFAB CCCCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 9206710 BHUUNSQNDKDWME-UHFFFAOYSA-N 431.514 2.798 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 9572664 QTKLIKJYALXOKB-UHFFFAOYSA-N 433.511 2.747 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 9671554 MBWWLLMDKNSAOJ-KRWDZBQOSA-N 429.542 2.775 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCC2=CCCCC2)c1 9807248 XANWLDFVWRIDGE-FQEVSTJZSA-N 447.601 2.579 0 40 IFAB COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5cccc(C)c5)c(=O)n(C)c4nc23)c1 9829383 BULLMOYEDHEATD-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(C(=O)OC)cc2)n2nnnc2N3)cc1 10295966 KMQVOUVFASKWPB-IBGZPJMESA-N 445.439 2.716 0 40 IFAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C 10443495 JSCNTVHLPRENBZ-UHFFFAOYSA-N 446.525 2.753 0 40 IFAB NC(=O)c1ccsc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 10771734 GYYAIOXCIFWAHU-VIFPVBQESA-N 433.964 2.601 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)c1c[nH]c2ccccc12 11338154 DYCHZZBEXNXSJK-HNNXBMFYSA-N 427.530 2.750 0 40 IFAB COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029742 KNVCRKBOGYYMMX-HNNXBMFYSA-N 443.930 2.562 0 40 IFAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN([C@H]1CCS(=O)(=O)C1)C3 12442538 DIFVSOAUUZNMME-AWEZNQCLSA-N 427.478 2.808 0 40 IFAB biogenic Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12794167 GXFTYPIFTDZZGH-UHFFFAOYSA-N 429.542 2.880 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccccc2OC)cc1Cl 12843623 WXRSLSGPVXBCMB-CYBMUJFWSA-N 426.922 2.731 0 40 IFAB O=C(NCCOc1ccccc1F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12914859 FWOJMVJOVOWLQM-UHFFFAOYSA-N 441.912 2.574 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccnc3)C2)cc1Cl 13567108 KYNVAJFNUKDLGN-MRXNPFEDSA-N 437.949 2.851 0 40 IFAB COc1cc(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 13786877 NLACMHYFLYZEBK-SFHVURJKSA-N 433.526 2.850 0 40 IFAB COc1ccc2cc(C(=O)OCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)ccc2c1 14189284 FFFKGWAVGIVIOS-FQEVSTJZSA-N 445.537 2.964 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cc(C)cc(C)c5)CC4)ncnc32)cc1 15884037 MVJFTCXJTNLZOD-UHFFFAOYSA-N 443.511 2.798 0 40 IFAB O=C(N[C@@H](ON1C(=O)[C@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 16476702 CRHXCVKJKBPJKB-CVEARBPZSA-N 431.659 2.788 0 40 IFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(OC)cc2)CC1 17095004 XNTFNDDLHKZBHY-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)Cc4cccs4)nn3c(O)c2C1 19017943 CUEFPHZIWDTLKH-IBGZPJMESA-N 439.541 2.697 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]([C@@H](NC(C)=O)c3ccccn3)C2)cc(OC)c1OC 19020294 QPMHFQGZONBCRN-HRAATJIYSA-N 427.501 2.837 0 40 IFAB Cc1ccc(C(=O)N2CCO[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C 19131690 HUFOCMOBHKNYNG-MRXNPFEDSA-N 448.401 2.976 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)cc1 19210477 YZYUJQVZJIJIEN-HXUWFJFHSA-N 430.574 2.512 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCCCC3)CC1)O2 19218974 MYICHAMZCPIBNO-BXKMTCNYSA-N 427.545 2.706 0 40 IFAB Cc1nn(CC(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)c(C)c1C 19556494 GCPCWQADSIUDMA-FQEVSTJZSA-N 426.565 2.824 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3oc4ccccc4c3C)C2)ncc1C(=O)N1CCOCC1 19757605 TYECFRRAMSOSFN-QGZVFWFLSA-N 434.496 2.942 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 20453197 CQKOZGMRTIBHKY-MRXNPFEDSA-N 448.541 2.890 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)CC1 20766554 YBQRTKGAZARKOA-UHFFFAOYSA-N 433.961 2.869 0 40 IFAB O=C(c1ccccc1F)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 21884362 CRLUXPFISWFKTJ-UHFFFAOYSA-N 435.484 2.920 0 40 IFAB CCOc1ccc(CN2CCN(C(=O)c3cccc(NS(=O)(=O)CC)c3)CC2)cc1 22991807 FXCMFWHVNUBMLO-UHFFFAOYSA-N 431.558 2.805 0 40 IFAB Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2n1 23107328 GGGTXRGOFAMMGE-QFIPXVFZSA-N 436.487 2.811 0 40 IFAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23827867 UJNZRKGAPRVITG-LBPRGKRZSA-N 438.962 2.706 0 40 IFAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2ccccc2)CC1 25436406 ZXVNTZUOMXSCTB-UHFFFAOYSA-N 439.537 2.716 0 40 IFAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 26308579 CAHFSNLFECDYLX-KBXCAEBGSA-N 428.480 2.593 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1cccc(F)c1 34867539 BQLABXTYBALOCB-UHFFFAOYSA-N 427.501 2.924 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 35436239 LBZQMGCQGBIHNC-NBHGPNQESA-N 432.567 2.844 0 40 IFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48353933 GTJKZIDLYKXLON-NQIIRXRSSA-N 448.995 2.757 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1Cl 67318850 GDYVSGQDPMWTRP-UHFFFAOYSA-N 443.862 2.905 0 40 IFAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C1 69460030 UCCHDIOECLZSDC-CYBMUJFWSA-N 445.467 2.684 0 40 IFAB COc1cc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc(C(=O)O)c1OC 71833033 AONMLWBXBXWPML-UHFFFAOYSA-N 442.287 2.916 0 40 IFAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(C3CCOCC3)CC2)C1 72372426 QEXXGTRKJZQWGI-NRFANRHFSA-N 427.589 2.702 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 86131464 LGRZHDPPBIVZMK-AWEZNQCLSA-N 441.475 2.746 0 40 IFAB CC1(C)C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)CCO1 95473247 KRBCPYPKTBOXHA-YPMHNXCESA-N 435.322 2.752 0 40 IFAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2cccc(C)c2)CC3)C1=O 96144452 AWJPWQUFKKLZGH-XMMPIXPASA-N 441.576 2.845 0 40 IFAB O=C(NCCc1cccnc1)c1ccc2c(c1)[C@H](c1nc[nH]n1)CN2C(=O)c1ccccc1 96156486 IZKBYJOXNOIMAX-OAQYLSRUSA-N 438.491 2.965 0 40 IFAB Cc1cc(NC(=O)c2ccc3nnc([C@H]4CN(Cc5ccccn5)CCN4C)n3c2)ccn1 96268025 VZFYGAPLZUXPIV-OAQYLSRUSA-N 442.527 2.569 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)CC2)cc1 97943635 SZTOCQGELIIOQD-QFIPXVFZSA-N 445.523 2.765 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 219014951 PAARJFMASIGCKU-UHFFFAOYSA-N 448.932 2.978 0 40 IFAB CSc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C(=O)N1CCCC1 225263395 WURCBCRNWCBJEU-OAHLLOKOSA-N 448.566 2.763 0 40 IFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)C2)c1F 253471023 AMBOXMPCNHXQIN-CYBMUJFWSA-N 425.420 2.590 0 40 IFAB CN(C)C(=O)c1cnn2c([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)ccnc12 257243601 IHSNCOOIBADGKA-MRXNPFEDSA-N 430.512 2.861 0 40 IFAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 257330736 XPRJBBFRNUBFNW-QGZVFWFLSA-N 432.546 2.509 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cccc(C)c2C)CC1 408588735 DSKRDBFOJDRLDQ-IBGZPJMESA-N 445.585 2.636 0 40 IFAB COc1ccccc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S 409157096 HRDHHINGNRPHBL-UHFFFAOYSA-N 425.514 2.837 0 40 IFAB O=C1C[C@H](c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)N2NC=NC2=N1 409378547 PYSWFDOUIPMICN-MRXNPFEDSA-N 431.374 2.899 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 409410557 NYZDFOBTLCCPHT-QGZVFWFLSA-N 434.558 2.834 0 40 IFAB CC1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)cc2)CC1 1667662887 KZNZXUMIKUVYKQ-JOCHJYFZSA-N 433.574 2.991 0 40 IFAB COc1cc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 628518 SPXWNOJWZQYYKB-UHFFFAOYSA-N 448.541 2.920 0 40 IFAB CCOC(=O)N1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(N)c(=O)c23)C1 2181022 WQJXNFAPFAONON-UHFFFAOYSA-N 444.538 2.661 0 40 IFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)c1cccc(Cl)c1 3263155 KYLUBCIIFNJULX-RMKNXTFCSA-N 449.912 2.800 0 40 IFAB CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 4018677 WZNNHXGZHMPGJV-UHFFFAOYSA-N 429.524 2.624 0 40 IFAB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 5706779 LYFZBGIZNYYJJR-WOJBJXKFSA-N 428.485 2.845 0 40 IFAB in-vitro COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1N(C)S(C)(=O)=O 8754036 ZWMLIUUOCHXAIW-UHFFFAOYSA-N 449.348 2.654 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9127256 UXRWVLSLDKABDL-GOSISDBHSA-N 442.566 2.888 0 40 IFAB Cn1cnc2c1c(=O)n(CCCSc1ncc(C(F)(F)F)cc1Cl)c(=O)n2C 9222905 KXEIDHMSLKTQAB-UHFFFAOYSA-N 433.843 2.683 0 40 IFAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CCCN2C(=O)NC(C)(C)C2=O)cs1 9498612 WWWLLYRTQPNMOY-UHFFFAOYSA-N 444.513 2.982 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 9610005 JPUAHEVIKZFXKO-VWLOTQADSA-N 431.492 2.952 0 40 IFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCS[C@H]1c1ccccc1F 9744570 KIPXKYXGPVTHDG-UGKGYDQZSA-N 425.485 2.793 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2)ccc1F 9748607 ZMXJAGJOKULREK-SFHVURJKSA-N 447.532 2.822 0 40 IFAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 9813590 JLEVAIMOWBYPJL-UHFFFAOYSA-N 441.557 2.762 0 40 IFAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[C@H]1Oc2ccccc2NC1=O 9883178 BTZIVNZTASBIRG-OAHLLOKOSA-N 428.470 2.563 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(Br)cc1 10110225 QCYIGUKWCFBQEC-UHFFFAOYSA-N 425.348 2.964 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1-c1ccccc1O 10233685 KLWIRHLSMDUUON-UHFFFAOYSA-N 433.443 2.648 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CCS[C@@H]2CCc3ccccc3N=C2O)cc1 11865955 RRPNCACVLBBXFM-LJQANCHMSA-N 447.582 2.719 0 40 IFAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N([C@@H]1CCS(=O)(=O)C1)C3=O 12062826 UVLBSEUMLIHOGL-QRWLVFNGSA-N 439.489 2.848 0 40 IFAB CCn1/c(=N\C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCCO3 12311027 ZMZFSXBMPMLVKT-QZQOTICOSA-N 432.523 2.536 0 40 IFAB CCN(CC)C1=N[C@](C(=O)OC)(C(F)(F)F)N=C(c2cc(OC)c(OC)c(OC)c2)O1 12411591 SZTBWNDSGDMDQS-GOSISDBHSA-N 447.410 2.619 0 40 IFAB Cn1c(=O)c2c(SCC(=O)Nc3cccc(Cl)c3)nc(C(C)(C)C)nc2n(C)c1=O 12875621 YBQWYHQQTJPONR-UHFFFAOYSA-N 447.948 2.709 0 40 IFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 12979989 CGHKCJCDQHRCDL-HOYKHHGWSA-N 437.496 2.532 0 40 IFAB O=C(c1ccccc1Cl)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 13036901 GFEYRSVLTDPYFS-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB O=C1[C@H](c2ccco2)N(c2ccc3c(c2)OCCO3)C(=O)CN1c1ccc2c(c1)OCCO2 15413488 PQSFFRRFHYCBOC-QHCPKHFHSA-N 448.431 2.943 0 40 IFAB COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1OC 16048058 OACPMPHDJOJOON-QGZVFWFLSA-N 426.494 2.941 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3nccnc32)c(C)c1 16841875 RTPWTDBACZBABT-UHFFFAOYSA-N 449.898 2.910 0 40 IFAB COc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc(Cl)c1OC 16964600 PTAKRWRMZFFOME-LJQANCHMSA-N 446.887 2.624 0 40 IFAB Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1C[C@@H]1CCCO1 18103004 PPRLQBCDDOVUBQ-KRWDZBQOSA-N 437.496 2.879 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCc3ccccc3)CC1)C2=O 19701340 YSGFCKJYBMYVPO-UHFFFAOYSA-N 440.588 2.653 0 40 IFAB CNC(=O)c1cc([C@H]2CN(S(=O)(=O)c3ccc(C)c(C)c3)CCO2)nc2ccccc12 19762014 YTBFLKUQDFNJBX-JOCHJYFZSA-N 439.537 2.973 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 20494217 MCZFHQPCDGNPEZ-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2c1 20725939 CJHMINKXTCBRRJ-QFIPXVFZSA-N 440.475 2.698 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)CC1 20767294 UKZRGKGGQQFMTL-UHFFFAOYSA-N 433.961 2.869 0 40 IFAB C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 21628215 MKVILGSJUDMPQC-WDEREUQCSA-N 425.561 2.757 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1C 22249293 COZQZXZWAYJZEW-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1 23819134 KDFZRPHKRCZGEZ-UHFFFAOYSA-N 444.605 2.523 0 40 IFAB CCOC(=O)c1cccc(OC[C@@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)c1 25306375 SPEJKAUHWHEELZ-QFIPXVFZSA-N 430.520 2.950 0 40 IFAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 30914757 CQTRVJCXGMJQIZ-UHFFFAOYSA-N 442.566 2.569 0 40 IFAB COc1cc(C(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc(OC)c1OC 31042551 HLFXYVYPGZLZAO-UHFFFAOYSA-N 444.513 2.782 0 40 IFAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCCN(c4ncccn4)CC3)c2c1 36354528 ZJOJZNGZDMMGGD-HXUWFJFHSA-N 436.516 2.890 0 40 IFAB CSc1ncccc1C(=O)N1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1 43960145 BLXSCTFUKOCNBS-UHFFFAOYSA-N 437.562 2.914 0 40 IFAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 54360546 UMSOIVHBRGZYDB-UHFFFAOYSA-N 433.467 2.690 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2nnc(Cc3ccccc3)o2)CC1 58434462 BHVIRCRRIKBGHJ-UHFFFAOYSA-N 432.933 2.820 0 40 IFAB COC(=O)c1cc(OCC(=O)NCc2ccc(F)cc2)c2cc(OC)c(OC)cc2n1 65033493 CBOKVKHMPVNDHF-UHFFFAOYSA-N 428.416 2.873 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c1 71327426 NSWIBNYOWMMOFD-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB O=C(Cc1ccccn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348011 TUQDSCWOKXANGT-HXUWFJFHSA-N 444.539 2.719 0 40 IFAB COCCCN1C[C@@H](C(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)CC1=O 72374292 MPBUSUJHTHQRKY-IBGZPJMESA-N 437.544 2.811 0 40 IFAB COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 89466028 ASPFJHDSWURXHV-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB Cc1ccnc(-n2cc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)cn2)c1 89701870 TUTXBUOTOQBTHI-UHFFFAOYSA-N 433.921 2.867 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1 89869475 AYWWNOHXXVIZEQ-DNVCBOLYSA-N 427.998 2.925 0 40 IFAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)N1CCN(Cc2ccccn2)CC1 96231241 APYCMCBSDFNWBO-UHFFFAOYSA-N 445.548 2.932 0 40 IFAB COc1ccc(CC(=O)N[C@H](C)c2cc(O)n3nc(C4CCOCC4)cc3n2)cc1F 100730006 CMANQZKBCKYKJQ-CYBMUJFWSA-N 428.464 2.897 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 100941872 AUGSMCADSQQDSH-SJLPKXTDSA-N 427.844 2.646 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 102084867 AMXSMFQLGWWOJK-HDEKODDRSA-N 434.275 2.772 0 40 IFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@H]2C(=O)O 102639671 YWBPPUGIRVBOCM-PEYKTXOXSA-N 426.513 2.753 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 103139552 MAKXRHGKYHEXQX-IDCGGQJBSA-N 435.471 2.996 0 40 IFAB COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1Cl 223833681 QICXIVBWECQOQP-UHFFFAOYSA-N 443.861 2.731 0 40 IFAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cccc(N2CCCCS2(=O)=O)c1 224391510 QVWBEBMJSGBYDE-UHFFFAOYSA-N 441.553 2.669 0 40 IFAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224826722 VQOSXJNFEDJXKV-UHFFFAOYSA-N 445.585 2.602 0 40 IFAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)C(=O)Nc1ccccc1C(F)(F)F 252503568 VFKYJGLNAOLNPD-UHFFFAOYSA-N 425.386 2.606 0 40 IFAB COc1ccccc1CNC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(C)=O)C3)nn2c1C 257215201 CPCXCENQPUTOFS-FQEVSTJZSA-N 449.555 2.940 0 40 IFAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NCc4ccncc4)c(C)n3n2)C1 257227456 FPJZDLKMNBJOGM-IBGZPJMESA-N 434.544 2.716 0 40 IFAB Cc1nonc1CC(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257255309 KGZRVBZJTYSBTD-IBGZPJMESA-N 431.880 2.519 0 40 IFAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408597561 ZHNGXEGUBHFYOW-UHFFFAOYSA-N 438.933 2.623 0 40 IFAB CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408617050 CDCWXMDKVIHUNP-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)c1)[C@@H]1Cc2ccccc2O1 507903248 PWHOOCXWPJGURK-APWZRJJASA-N 434.452 2.737 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(Cc1ccn(C)n1)CC2 1549166924 KNPIWBLCQOVDBF-QFIPXVFZSA-N 435.572 2.635 0 40 IFAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 1268621 ZUSRURKRZBPFDH-UHFFFAOYSA-N 431.558 2.909 0 40 IFAB CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 2393241 UXZHXRGMXBRMLC-ZHZULCJRSA-N 437.496 2.968 0 40 IFAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1nnc2nc(C)cc(C)n12 3279176 JYUJWCFVUJVPND-UHFFFAOYSA-N 446.964 2.652 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)sc(C)c1C 3343897 DOKRXVMFFTXBMO-QGZVFWFLSA-N 444.509 2.607 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 3354533 IDXYZDLGYPSDQJ-LJQANCHMSA-N 441.553 2.501 0 40 IFAB COc1ccc(-c2nnn(C3CCN(CC(=O)Nc4ccc(C)cc4)CC3)n2)cc1OC 8694524 ODAUORIXAGBYFK-UHFFFAOYSA-N 436.516 2.941 0 40 IFAB CCCCn1c(-c2ccc(Br)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8846411 FBXABDLTOLJEIC-UHFFFAOYSA-N 430.306 2.916 0 40 IFAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)ccc2c1 8891067 WACLVABZCFWLAA-XMMPIXPASA-N 447.447 2.983 0 40 IFAB CC[C@@]1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O 9060562 XYYKDTAQDAWORL-NRFANRHFSA-N 429.498 2.530 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O 9413154 UHTSLHQDLSVROY-QKFKETGDSA-N 441.459 2.631 0 40 IFAB CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)Oc1ccccc1 9501927 UWTQEHGXDSUCSJ-GOSISDBHSA-N 438.933 2.950 0 40 IFAB COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)O)cc1 9673766 KYIDKSWBCHMYCE-LJQANCHMSA-N 445.497 2.609 0 40 IFAB O=C(COc1ccc(F)cc1Cl)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375593 HEJCOTLLNSIUJS-UHFFFAOYSA-N 426.897 2.827 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 10440737 XBAAAYHTGRKFQO-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030663 VDDQFQVHEAVDQI-MRXNPFEDSA-N 447.456 2.919 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCc1ccccc1Cl 12086594 QCZUNYGLPASGJZ-HSZRJFAPSA-N 441.915 2.530 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)c1 12506767 VRDGEBHNURMTRQ-UHFFFAOYSA-N 444.582 2.805 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 12523484 JTCZNGAETAZLEQ-UHFFFAOYSA-N 445.863 2.775 0 40 IFAB CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)ccc1Cl 12860712 FGIDGAVJGYGNOL-UHFFFAOYSA-N 435.933 2.869 0 40 IFAB O=C(CSc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12983932 REUUBRZEMJOAEN-UHFFFAOYSA-N 449.550 2.844 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)n2N)cc1OC 13133903 KJVUKYFHZKNUFJ-IJEWVQPXSA-N 433.578 2.633 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C[C@@H](C)O1 13147642 ACFQZPGSKMZZEV-HUUCEWRRSA-N 432.498 2.508 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 13554770 JFPWEJKDXXSSSY-WCJKSRRJSA-N 443.544 2.748 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCC2)c2ccc(F)cc2)cc1 13674229 IKSLGXSUQAAPFW-UHFFFAOYSA-N 433.549 2.932 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 14111374 DWLKGHNZUKMITA-MRXNPFEDSA-N 447.523 2.707 0 40 IFAB CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCCC1 14197984 UNFBECTZZRJZRN-UHFFFAOYSA-N 425.570 2.607 0 40 IFAB CC(C)n1ncc2c(C(=O)O[C@H](C)C(=O)Nc3ncnc4nc[nH]c34)cc(C3CC3)nc21 14244154 KYAWRBDNWQAKMB-LLVKDONJSA-N 434.460 2.740 0 40 IFAB O=C(NCc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 15372808 AQRXLWNVVXZMTQ-UHFFFAOYSA-N 440.456 2.726 0 40 IFAB O=C([C@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 15604445 QQWVAMAYCSQBRA-GOSISDBHSA-N 440.443 2.542 0 40 IFAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(F)cc1 15648954 DAQMMXIULMZLLK-ZDUSSCGKSA-N 426.897 2.991 0 40 IFAB Cc1c(NC(=O)CSc2nc3sccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 16543447 DZIFADCXMMVISC-UHFFFAOYSA-N 427.511 2.513 0 40 IFAB Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C 16795118 PASKQPWYPAOYKY-IAGOWNOFSA-N 435.480 2.573 0 40 IFAB O=C(NCCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 17112981 PAXRTTAATHHGOH-UHFFFAOYSA-N 425.913 2.738 0 40 IFAB CCn1ncc(S(=O)(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)c1C 19524001 WYQUWYOXJLGHAE-AXAPSJFSSA-N 446.499 2.894 0 40 IFAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccncc2)CCO1 19580810 IPVNEYXROZTPDG-VWLOTQADSA-N 430.508 2.686 0 40 IFAB CCn1nc(C)c(CN2CC[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c1C 19702619 HVKQIDOBFPVMSQ-INIZCTEOSA-N 427.574 2.841 0 40 IFAB O=C(NCCCN1CCOCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20105617 UNGPPFXTISCRMW-UHFFFAOYSA-N 437.949 2.593 0 40 IFAB COc1ccc(Cl)cc1N1C(=O)/C(=C\N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 20518891 ZEOGUKMKGRHJSY-RQNDZEIBSA-N 446.912 2.653 0 40 IFAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccc(O)cc3)CC2)C1=O 21816764 CGBZMHQRCFCXFU-IBGZPJMESA-N 429.904 2.817 0 40 IFAB CCOC(=O)c1cc(NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc(C(=O)OCC)c1 22930308 JZCHNPWGTIIDRC-OAQYLSRUSA-N 441.528 2.871 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSC(C)C)c1 23114198 LXQGJOXYSNMMFB-UHFFFAOYSA-N 429.608 2.634 0 40 IFAB O=C(COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)cc1)N1CCOCC1 23247766 SXYKNUZXTHAKJF-DQEYMECFSA-N 449.595 2.816 0 40 IFAB COc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 26555989 HNLFJCCDFALGMI-QGZVFWFLSA-N 435.513 2.774 0 40 IFAB COc1ccc(-n2ncc(C(=O)NCCCN3CCC(C)CC3)c2C(F)(F)F)nn1 30565003 ZCELVHDBSWFGLU-UHFFFAOYSA-N 426.443 2.542 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCn4c3nc3ccccc34)C2)s1 30661988 IIRLUCAZMWXIFC-OAHLLOKOSA-N 430.555 2.854 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 30946575 RAHKQXJBOYCIOG-LJQANCHMSA-N 446.525 2.936 0 40 IFAB COc1ccccc1Nc1nc(N)nc(Cn2cnc3sc4c(c3c2=O)CCCC4)n1 31627244 AYUDGJZKSGVLRH-UHFFFAOYSA-N 435.513 2.905 0 40 IFAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCCO)nn1-c1ccc(F)c(Cl)c1)C2 32105808 QKQLGCDIVWHQTG-UHFFFAOYSA-N 431.851 2.975 0 40 IFAB CCCN(C(=O)COc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 33780406 MCVZWRRKBQJZGB-UHFFFAOYSA-N 442.903 2.643 0 40 IFAB CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)cn1 35426316 ZOTVQELPHNGAMQ-SFHVURJKSA-N 427.530 2.938 0 40 IFAB biogenic,in-vitro COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2C(=O)OC)cc(C(=O)OC)c1 59842303 AOJIRSXIDDPUKT-UHFFFAOYSA-N 447.874 2.562 0 40 IFAB C[C@@H]1CN(C2CCN(C(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 72013566 PVWOENMPGHRDFU-MVBJRAQVSA-N 443.632 2.906 0 40 IFAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)CCc2ccco2)C1 72335816 HXBGHSMQBHIVEI-QGZVFWFLSA-N 440.525 2.874 0 40 IFAB COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@H](C)Cc1cccs1 95441960 HUTORRBGIGBADH-SECBINFHSA-N 433.349 2.528 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCCn4cnc5ccccc5c4=O)C3)cc2n1 100137983 PGTWFUKTTGQGQG-QGZVFWFLSA-N 446.511 2.640 0 40 IFAB O=C(CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@H]1CCC[C@@H]1Cc1ccco1 100740815 AUDRWADRXKYILE-XCJLJZCSSA-N 437.540 2.695 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1 101416179 IKEATKONWUQSQP-ROUUACIJSA-N 427.848 2.671 0 40 IFAB CC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)cc1 113559917 QIFBZVGJZKBMBL-BBVFFXRHSA-N 438.461 2.893 0 40 IFAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c(OC)c1 220227398 UTROXMSLORWNIQ-ZDUSSCGKSA-N 438.502 2.514 0 40 IFAB CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222703783 YJWRFOLAYPPXRU-INIZCTEOSA-N 448.541 2.890 0 40 IFAB Cc1cc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)ccc1N1CCCC1=O 223853129 AYNJKGXUDGWXRZ-UHFFFAOYSA-N 441.553 2.723 0 40 IFAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCOc2ccccc2)S1(=O)=O 224582085 RBOCGWGUABHWJJ-UHFFFAOYSA-N 446.525 2.800 0 40 IFAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225103149 VYIQSMJWVUAGGU-UHFFFAOYSA-N 427.450 2.610 0 40 IFAB O=c1[nH]c(-c2cccc(I)c2)nc2nc(Br)cnc12 225733822 AUKOMLBIZITXIZ-UHFFFAOYSA-N 429.015 2.747 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2ccccc2Cl)CC1 244942673 CUHDHUYXQOBWQG-UHFFFAOYSA-N 436.965 2.627 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3cccc4c3OCCO4)CC2)n[nH]c1=O 252552559 UWIISPAJHXHZFF-UHFFFAOYSA-N 434.496 2.735 0 40 IFAB Cc1cc(NC(=O)CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)no1 257244262 IKPIJKJRTVWLSF-LJQANCHMSA-N 445.907 2.993 0 40 IFAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257333692 YCQOMUWATWVYRE-FQEVSTJZSA-N 433.512 2.905 0 40 IFAB COC(=O)N1Cc2nnc(-c3ccc(OC)cc3)n2C2(CCN(Cc3cccnc3)CC2)C1 306141455 VWTBTXHUDKHIGT-UHFFFAOYSA-N 448.527 2.922 0 40 IFAB Cc1nc(-n2cccc2)sc1C(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 390829645 FRLGFCJYYAAGET-UHFFFAOYSA-N 426.527 2.886 0 40 IFAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCCCN3CCOCC3)sc2n1 408635961 KMELGWVBUQIDPF-UHFFFAOYSA-N 435.619 2.856 0 40 IFAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O 409149184 YROPICPIKWMBTR-CXUHLZMHSA-N 430.413 2.964 0 40 IFAB Cc1cc(OC[C@@]2(O)CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc(C)c1Cl 585282083 XNGGMZSGOXPHES-HXUWFJFHSA-N 430.998 2.587 0 40 IFAB Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)cc1 585282474 DTBMGNPCTUBIKV-RUZDIDTESA-N 444.547 2.608 0 40 IFAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)Cc2noc3ccccc23)CCO1 585287161 VEMVGFHYAHLVSV-JOCHJYFZSA-N 443.887 2.576 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)cc1 618255265 OLGJKVUAZLTWPZ-OAHLLOKOSA-N 428.470 2.650 0 40 IFAB Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)s1 2496874 DGEZDBQGXUIYQZ-UHFFFAOYSA-N 435.531 2.911 0 40 IFAB CCCCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 4303842 PUTMYEPALLNVAP-MRXNPFEDSA-N 425.533 2.674 0 40 IFAB CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)c2c1 8917629 LOXNASDCLXQYPT-UHFFFAOYSA-N 442.493 2.629 0 40 IFAB CCN(C(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 9144748 BALOLSGEJIWDGB-UHFFFAOYSA-N 443.525 2.651 0 40 IFAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)oc2c1 9194596 HIJXWGJGXNWYQG-UHFFFAOYSA-N 442.493 2.683 0 40 IFAB O=C([C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1)N1CCOCC1 9238527 ACZXBTYKWZKKES-MSOLQXFVSA-N 425.489 2.702 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 9308175 ICURRWCDZUNNEO-UHFFFAOYSA-N 426.498 2.714 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1ccc(F)cc1F 9412702 ZNITYFHWGHYDPJ-UHFFFAOYSA-N 430.802 2.607 0 40 IFAB COc1ccc(Cl)cc1NC(=O)Cn1c(-n2nc(C)cc2C)nc2c(c1=O)CCC2 9520914 GWYVYRCXOXVYAB-UHFFFAOYSA-N 427.892 2.835 0 40 IFAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9715296 POAUHMSHYZCMPN-UHFFFAOYSA-N 442.493 2.985 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccccc3Cl)nnc1n2CCc1ccccc1 10969703 OUMIVPKNCIOBMF-UHFFFAOYSA-N 434.887 2.645 0 40 IFAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccc(F)cc2)CC1 11613620 PIJBNPYPIJYQAZ-KRWDZBQOSA-N 428.533 2.647 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCCOc2ccccc2F)c1 12526748 KOWLPLKNONZLBA-UHFFFAOYSA-N 436.505 2.912 0 40 IFAB CC(C)c1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12770508 AFNWWZVFDJAJPA-UHFFFAOYSA-N 447.576 2.914 0 40 IFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1OC 12774327 JIHXMXGKUXBRDA-UHFFFAOYSA-N 425.529 2.646 0 40 IFAB COc1ccc(C(=O)N(C)CCOc2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1 12861171 AAYFZDQVWVVVDG-UHFFFAOYSA-N 432.542 2.939 0 40 IFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(Br)c1 12946275 DPCUMKHUCXOOHY-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB Cc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 13041308 LKULRSWBOVLERJ-UHFFFAOYSA-N 427.570 2.745 0 40 IFAB CCCCN1C(=O)/C(=c2\sc3nc(-c4ccccc4OC)nn3c2=O)c2ccccc21 13511420 MQVREPBNTHIATA-HNENSFHCSA-N 432.505 2.891 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccccc2O1 14240261 BDDQVYNHTWZPRI-REWPJTCUSA-N 433.533 2.975 0 40 IFAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)CC3 15842039 PADWKHVMGLCJMF-UHFFFAOYSA-N 437.521 2.767 0 40 IFAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 17178833 OHBPELYTYCLOIZ-SFHVURJKSA-N 446.550 2.721 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2ncccc21 17316056 YJEDLBKPVCQNRJ-UHFFFAOYSA-N 444.491 2.952 0 40 IFAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 19344808 QUZHVDXTQVHBPA-GFCCVEGCSA-N 427.511 2.976 0 40 IFAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(Cc2cccc(F)c2F)CC1 19552881 SNXVGRWBUUYVTB-UHFFFAOYSA-N 445.495 2.632 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 19741386 KENFVFCKLIIICE-GOSISDBHSA-N 432.521 2.890 0 40 IFAB C[C@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)c1nc2ccccc2[nH]1 19750605 XLMFMOSFQDUSRF-INIZCTEOSA-N 429.480 2.532 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 22630688 OEAFXEFRJZNNLC-UHFFFAOYSA-N 440.525 2.946 0 40 IFAB CSCC[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc2ccccc2[nH]1 23805374 YWDVLNFYMKFYLZ-QQHGCPPCSA-N 443.573 2.974 0 40 IFAB O=C(OCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2c(=O)[nH]1 24174202 OPZXBFOODUVZIF-UHFFFAOYSA-N 425.872 2.687 0 40 IFAB COC(=O)C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(OC)c(OC)c1 24485859 WZTMVRKVVROEAS-INIZCTEOSA-N 442.468 2.813 0 40 IFAB CCOc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)O[C@@H](C)C2 26886785 UUCSORVWWLIKLZ-AWEZNQCLSA-N 447.509 2.982 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(OC)c(OC)c1)CC3 28059500 AVPBLMKGPBLSKM-UHFFFAOYSA-N 430.482 2.719 0 40 IFAB CC(=O)Nc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 29473043 KILOSFNEFVPQLA-UHFFFAOYSA-N 438.452 2.930 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(N2CCCS2(=O)=O)cc1 32860340 NRZVXLJPNONGEB-JKSUJKDBSA-N 428.510 2.750 0 40 IFAB COc1cc(NC(=O)[C@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC 32891658 OCQQFPDLCXUBSB-QAPCUYQASA-N 434.489 2.633 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H]1C 35264481 BTAPIGPJDGLGEM-GPMSIDNRSA-N 427.998 2.587 0 40 IFAB CC(=O)N[C@H](Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1 35315451 OMSXPCYKFKLHEZ-OAQYLSRUSA-N 445.922 2.947 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NC[C@H]1CCCO1 35596857 UNNBXQILYCSJNA-CYBMUJFWSA-N 425.514 2.659 0 40 IFAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 40135677 MURZPZTYTNPTLQ-ZFWWWQNUSA-N 435.933 2.867 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1C(=O)NC(C)C 44872394 VCGWKXJHMMQZKC-UHFFFAOYSA-N 445.585 2.908 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccccc34)n2)cc1OC 49543360 UERSAGMSJODTIJ-UHFFFAOYSA-N 432.480 2.768 0 40 IFAB biogenic CC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945704 VILJSFVRMXSBGZ-HXUWFJFHSA-N 430.524 2.561 0 40 IFAB CCOc1ccccc1N1CCN(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)CC1 57679791 QGGJAPCYTKKJSL-UHFFFAOYSA-N 425.485 2.777 0 40 IFAB CCOC(=O)CNC(=O)Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1 67207617 XOWNYXOZFUTEEX-UHFFFAOYSA-N 433.262 2.647 0 40 IFAB Cc1ccc(CNC(=O)Cn2nc3c4ccccc4nc(Cc4ccccc4)n3c2=O)o1 72347040 GNTCCCYVZHOVCJ-UHFFFAOYSA-N 427.464 2.853 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(N)nc4)C3)c2)cn1 72353702 BNCDTDCQAWHVPZ-SFHVURJKSA-N 430.512 2.809 0 40 IFAB CNc1ncc(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 72371708 HUYAQFLLMNOHPI-CYBMUJFWSA-N 428.443 2.771 0 40 IFAB C[S@@](=O)C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 89493046 FLINFBUWIIFFHB-BZQUYTCOSA-N 427.295 2.763 0 40 IFAB O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 96379891 FCIYHIWUDJFFQF-UHFFFAOYSA-N 425.494 2.967 0 40 IFAB CCCn1cc(S(=O)(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)c(C)n1 100658311 WFHXNLMGMHOSKP-CALCHBBNSA-N 433.578 2.656 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccnc3)CC2)cc1 101510530 HDTBECVDEOUZBC-CALCHBBNSA-N 430.530 2.763 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 106202448 GGRSKSXFNRLFFH-ZDUSSCGKSA-N 447.285 2.993 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1 107591363 AYWWNOHXXVIZEQ-KXBFYZLASA-N 427.998 2.925 0 40 IFAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@H](O)[C@@H]3O 118914755 SYHUKNSTHJICMX-QMMUOXQNSA-N 438.605 2.508 0 40 IFAB CC(C)CCNC(=O)C1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 199421805 FDTSGDVBLAZXBO-QFIPXVFZSA-N 437.540 2.673 0 40 IFAB C[C@@H](C(=O)NCCCN1CCCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220324460 XEMAEAJOCOLKND-KRWDZBQOSA-N 433.549 2.939 0 40 IFAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 222573704 FZDUMJYPANJTSR-INIZCTEOSA-N 448.541 2.776 0 40 IFAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 223172950 IWMSZSSTBDTWTC-IBGZPJMESA-N 448.541 2.527 0 40 IFAB COc1ccccc1N(CCCC(=O)NCCCN1CCCCCC1)S(C)(=O)=O 224708600 ZQAIUGFGGYGVHE-UHFFFAOYSA-N 425.595 2.624 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225583256 CTTFYCNONPOPBL-MRXNPFEDSA-N 438.521 2.964 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225638264 ZGUPFUIMCFMQGB-MRXNPFEDSA-N 448.541 2.890 0 40 IFAB O=C(CN1CCCC1=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 225885398 DBZJEVHVLJARSB-UHFFFAOYSA-N 433.917 2.652 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4OC)C[C@H]2C3)cc1 306125782 DCDCUXJHAJFNOC-MSOLQXFVSA-N 433.512 2.852 0 40 IFAB Cc1nc(CN2C[C@H]3C(N4CCC(C(=O)NCc5ccccc5)CC4)=NO[C@H]3C2)cs1 306140064 UILRXKMTJBIQOX-RTWAWAEBSA-N 439.585 2.624 0 40 IFAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC)cc2)cc1 408594317 OKSZAQIBTNXPTI-HNNXBMFYSA-N 434.514 2.958 0 40 IFAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)Nc1ccc(F)cc1 408671216 YUNVUVQLICZERV-MFRYECHYSA-N 434.423 2.933 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)c1 575614197 PEPFIYRFWTYKGT-QGZVFWFLSA-N 449.554 2.925 0 40 IFAB COc1ccc2cc(C(=O)N3CCC(N4CC(=O)N(CC(F)(F)F)C4=O)CC3)[nH]c2c1 585148467 GWSPFLWMTDIIMX-UHFFFAOYSA-N 438.406 2.608 0 40 IFAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NC[C@@H](O)Cn1ccnn1 1638692746 FQQJCFNAGUXHJR-QGZVFWFLSA-N 425.439 2.815 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)c1 932189 JNWQAQYPLOOAPU-UHFFFAOYSA-N 443.485 2.587 0 40 IFAB Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1CCOCC1 1340120 VYFLFCNGNDNJAU-UHFFFAOYSA-N 430.559 2.502 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1cccc(C(F)(F)F)c1 3351850 FHHMSUSOMFNUOQ-UHFFFAOYSA-N 448.488 2.647 0 40 IFAB COc1ccc([C@@H]2N(C(=O)CN3CCCCC3)CCN2S(=O)(=O)c2ccccc2)cc1 3640893 KTCAZEPAQXCZBX-HSZRJFAPSA-N 443.569 2.713 0 40 IFAB CNC(=O)CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 8725742 CUIODROEVZWUOD-UHFFFAOYSA-N 430.313 2.612 0 40 IFAB CC(=O)N[C@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O 8765293 XCMZMJFBJIDKSB-VRVGQERDSA-N 435.476 2.923 0 40 IFAB biogenic CCOc1cc(N[C@H](C)C(=O)NC(=O)NC)c(OCC)cc1NC(=O)c1ccccc1 9220413 WTRDIBWIILOISE-CQSZACIVSA-N 428.489 2.992 0 40 IFAB COc1ccc(CC(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)N1CCOCC1 9632445 YBJCIMSUHVPTHV-UHFFFAOYSA-N 438.933 2.859 0 40 IFAB C[C@H]1Cc2cc(C(=O)CSc3nnc(-c4cccnc4)n3C)ccc2N1S(C)(=O)=O 9767603 BCLYWNKDFOBFIL-ZDUSSCGKSA-N 443.554 2.563 0 40 IFAB O=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9882908 MCUPKZJSXATKFR-UHFFFAOYSA-N 444.918 2.624 0 40 IFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 9899638 ZDQUXBXJBQDLSF-UHFFFAOYSA-N 442.516 2.680 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(I)c1 10039558 OBIBFUQXNIFASJ-UHFFFAOYSA-N 425.178 2.815 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CCCCC1 10279720 WDKPPRMRAIWSNQ-UHFFFAOYSA-N 437.606 2.866 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 11693256 MPVRNEJVAUEGHK-UHFFFAOYSA-N 433.467 2.934 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(C)c(C)c3)CC2)c1 11796624 DUWRSFZCYKJBEX-UHFFFAOYSA-N 429.586 2.884 0 40 IFAB Cc1ccc(CC(=O)N2CCC(O)(Cn3cnc4cc(Cl)ccc4c3=O)CC2)cc1 12187098 NGFDUADBJPMHRO-UHFFFAOYSA-N 425.916 2.955 0 40 IFAB C[C@@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CCN(Cc2ccccc2)CC1 12551146 NRMOQBQQHYEEHO-OAHLLOKOSA-N 433.434 2.612 0 40 IFAB CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)[C@H]1CCS(=O)(=O)C1 12766882 HUBYVESXRKOCDG-AWEZNQCLSA-N 437.587 2.532 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 13097276 IASTUPZTSIEAFZ-UHFFFAOYSA-N 441.475 2.959 0 40 IFAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 13533102 IDTDXWZMWFFWNR-UHFFFAOYSA-N 425.466 2.822 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)NCCc1ccccc1 13533283 GPSDOGPFQPNLSK-UHFFFAOYSA-N 437.496 2.771 0 40 IFAB CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715499 RIFKTPUUAGUAHP-NRFANRHFSA-N 433.549 2.715 0 40 IFAB O=C(CCSc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14236744 XBZWLOJSDYHDGY-UHFFFAOYSA-N 426.510 2.980 0 40 IFAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1cccs1 14241097 DEDXCQNVINJZEO-UHFFFAOYSA-N 432.976 2.959 0 40 IFAB COc1ccc(Cc2nn3c(SCC(=O)Nc4ccccc4F)nnc3nc2O)cc1 15882078 ANKYOGBWJNWUBW-UHFFFAOYSA-N 440.460 2.694 0 40 IFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022014 KBYNEFDHULKTTC-VJRXPSPPSA-N 434.334 2.624 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 16044427 RRQOEVUMBNAZRI-UHFFFAOYSA-N 440.525 2.600 0 40 IFAB O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 16851319 MRVWFYCOMJXCHZ-UHFFFAOYSA-N 427.457 2.789 0 40 IFAB Cc1ccc(-c2nnc3n(Cc4ccccc4Cl)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 17052027 GKUHJGCPMZGPPH-UHFFFAOYSA-N 434.887 2.759 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(-c2ccccc2)s1 18702495 RNHWXYHXIYMRCH-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)C1 19336658 JLXGPDMDOXBTIA-AEFFLSMTSA-N 442.534 2.915 0 40 IFAB CCCN1CCN(C(=O)Cn2cc(C)nn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502786 VAHFPUXJLXWOMG-HSZRJFAPSA-N 446.555 2.588 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccn(C)n2)C1 19591627 UAPABUDPWBNIFM-VWLOTQADSA-N 432.524 2.917 0 40 IFAB COCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)CC1 19739413 FFNGKOATSDCPSF-UHFFFAOYSA-N 426.492 2.756 0 40 IFAB COc1ccc(C2(C(=O)N3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)CCOCC2)cc1 19764537 QVTKAJNNYOJKMQ-FQEVSTJZSA-N 438.528 2.695 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 20006855 HSWQNLPKGQYCIF-HXUWFJFHSA-N 439.537 2.605 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 22058515 CBWYOICSCKOFAQ-IBGZPJMESA-N 435.889 2.984 0 40 IFAB CCN1CCN([C@H](c2cccc(OC)c2OC)c2nnnn2Cc2ccc(F)cc2)CC1 22929418 QNHULICZNDIOKF-OAQYLSRUSA-N 440.523 2.605 0 40 IFAB O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 25015311 PCJCJTGUULEXLT-JOCHJYFZSA-N 441.597 2.652 0 40 IFAB C[C@@H](C(=O)Nc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1)n1cncn1 25294482 TVGNOIRGNZEJPO-AWEZNQCLSA-N 439.497 2.980 0 40 IFAB COc1ccc(CNC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)cc1OC 27973741 CTCFZZXCUHGQTJ-UHFFFAOYSA-N 448.321 2.912 0 40 IFAB NC(=O)Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1cccs1 29628114 SHQBEKGTZYFPGE-UHFFFAOYSA-N 439.469 2.824 0 40 IFAB CCOC(=O)[C@@H]1CSCCN1C(=O)CCc1c(C)nc2c3ccccc3nn2c1C 32902938 GYKJBAMLUAAKHZ-IBGZPJMESA-N 426.542 2.939 0 40 IFAB CC(=O)O[C@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 35361176 SHENECVDVUHQOP-FKRJMTOBSA-N 443.540 2.792 0 40 IFAB biogenic COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NC(=O)c1cccn1C)CC2 36447673 VYBUBQNXOUMRLJ-DEOSSOPVSA-N 433.508 2.946 0 40 IFAB COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)n1 38486660 UNNYADMVMDJYRV-UHFFFAOYSA-N 449.858 2.797 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1(c2cccc(Cl)c2)CC1 40059877 UVPPSFUFJUGMPN-UHFFFAOYSA-N 434.945 2.709 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 58158798 HZZLSTZLJHEACJ-GOSISDBHSA-N 443.569 2.840 0 40 IFAB Cc1nc(-c2cccc(NC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cs1 58166529 GIGOMAOORFSWGM-OKILXGFUSA-N 438.575 2.679 0 40 IFAB Cc1ccccc1-c1noc(CN2CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)n1 59384729 QJGYUTSKHPXZEO-UHFFFAOYSA-N 437.519 2.960 0 40 IFAB CCN(CC)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 67338198 BBODURXWCKHDGK-UHFFFAOYSA-N 447.605 2.513 0 40 IFAB COc1ncc(C2(O)CCN(C(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)CC2)c(OC)n1 72337542 UPJHZLRREYIASQ-CQSZACIVSA-N 444.532 2.757 0 40 IFAB O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 78820770 VIBHBWAZVMEOGF-ZDUSSCGKSA-N 440.378 2.684 0 40 IFAB CC(=O)N1C[C@H]2C3(CCN(C(=O)Nc4ccncc4)CC3)CC[C@@]2(C(=O)NCC(C)C)C1 96143782 ZVKPGHWYRULXQU-GBXCKJPGSA-N 441.576 2.726 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@@H](C)n3nc(C)c4ccccc4c3=O)cc2n1 100138992 DADYXMRFNVFNLL-BEFAXECRSA-N 432.484 2.686 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nn1cnc2scc(-c3ccccc3)c2c1=O 102956033 HQJKWQCXDQZDPH-IYBDPMFKSA-N 448.504 2.536 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113949794 TUGWHHOUZAJCEB-QFIPXVFZSA-N 444.601 2.930 0 40 IFAB COc1ccccc1CN(C)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 216322954 QDSFDVKYEOTKJF-UHFFFAOYSA-N 434.514 2.629 0 40 IFAB CC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220740332 MGYZWEBBDSZXDH-KRWDZBQOSA-N 430.954 2.605 0 40 IFAB COc1ccc(C)cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222670612 JLRLGGFSJNTALQ-UHFFFAOYSA-N 434.514 2.960 0 40 IFAB Cc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c(C)c1 224598380 LTLYIIAJVLDKMA-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc4c3CCCC4)CC2)cc1 224769747 CXCYBFQDLDDSDT-UHFFFAOYSA-N 428.554 2.786 0 40 IFAB COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224880977 KLZXGVKMOPPNAE-UHFFFAOYSA-N 432.267 2.965 0 40 IFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)s1 225184783 SDGFQEAMTKWUBA-UHFFFAOYSA-N 426.564 2.787 0 40 IFAB COc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225651962 QEDAYZLVNWQTOY-UHFFFAOYSA-N 438.918 2.931 0 40 IFAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C[C@H](C(=O)N(C)Cc1ccccc1)O2 306136313 PPSWAYOZKWZAQR-XMMPIXPASA-N 449.595 2.888 0 40 IFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1C 408604966 MGVCHHOMLSAOMQ-UHFFFAOYSA-N 427.320 2.935 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCn2ccnc2)C1 408700421 FTFOJDDPVBKIRO-LJQANCHMSA-N 448.589 2.622 0 40 IFAB O=C(NCc1ccc2c(c1)C(=O)NCC2)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 543509477 CJVAYTZLLPAPHA-QHCPKHFHSA-N 441.487 2.845 0 40 IFAB COC(=O)c1cccc(Cc2cnc(NC(=O)c3ccc(C)c(S(N)(=O)=O)c3)s2)c1 610425203 MUNMNNDPCAQKLE-UHFFFAOYSA-N 445.522 2.729 0 40 IFAB O=S(=O)(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccccc1 615292256 IWTVLAHTKONMIK-UHFFFAOYSA-N 434.514 2.783 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)c2ccc(Cn3ccnc3)o2)Cc2ccccc21 643553713 DJUDJPAMRCXODB-UHFFFAOYSA-N 435.528 2.855 0 40 IFAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775969032 UHCDWDRQEJNLSD-KRWDZBQOSA-N 439.493 2.923 0 40 IFAB CN(C(=O)c1ccc(C(F)(F)F)nc1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1775971426 ODCIRCATYATQLE-UHFFFAOYSA-N 431.422 2.766 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)no1 2551773 LSRRKNHVSTXMMN-RMKNXTFCSA-N 432.483 2.903 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1C 4339221 HNRQDGHEHSFNCZ-WMDIELAYSA-N 426.623 2.817 0 40 IFAB COc1ccc(OC)c(N2CCCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c1 5252014 SLIDBNCPIVZPLZ-UHFFFAOYSA-N 427.505 2.502 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 6025902 RPFVECNJDUDUPM-VZUCSPMQSA-N 440.481 2.947 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cccs1 8454208 UYQOSASERNJBGQ-OXRZLYTFSA-N 441.578 2.815 0 40 IFAB COc1cc(Br)c(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OC 8754284 CBACPACJHJOFJF-UHFFFAOYSA-N 446.301 2.904 0 40 IFAB CCC[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O 8826067 SVUJLOGOSIZVQI-SFHVURJKSA-N 439.560 2.759 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 9124748 MEPGQCRLMHFWDO-IBGZPJMESA-N 441.553 2.848 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)CC1 9127957 AVDKRIWJMPNBOL-GOSISDBHSA-N 430.526 2.677 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 9156507 UWJRUQQKKXWTDN-UHFFFAOYSA-N 449.485 2.526 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccco1)n2CC 9339464 MBDQPUPGKHIBRO-UHFFFAOYSA-N 432.546 2.929 0 40 IFAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 9727881 PPRRLQOQRHGKKG-RDGATRHJSA-N 449.507 2.665 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccccc1Cl 9761710 IRMGATHKKDQOPV-UHFFFAOYSA-N 434.857 2.830 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 9764415 QZEHGZGOJBVJEV-HNNXBMFYSA-N 433.555 2.680 0 40 IFAB COc1ccc(-n2ccn(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c2=O)cc1OC 9808699 OJYKEAIRMQPKHC-UHFFFAOYSA-N 429.860 2.617 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(CN2CCCC2=O)cc1 10025204 AGHZUCJOIHAHNF-UHFFFAOYSA-N 427.526 2.846 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cncc(Br)c1 10707465 DSXLPGYVXFLVMK-UHFFFAOYSA-N 426.336 2.602 0 40 IFAB O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc(F)ccc2-n2cnnn2)CC1 12321337 NQENOVCXWYZXNR-UHFFFAOYSA-N 449.273 2.706 0 40 IFAB COc1cccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c1 12446358 CVPRVFMYIZYPQM-UHFFFAOYSA-N 430.464 2.812 0 40 IFAB COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c(OC)c1OC 12467898 VFKNUJCMNFBXPA-KRWDZBQOSA-N 429.477 2.864 0 40 IFAB CC(=O)N[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 12808660 PUMSLMYPEBKLQG-VUPJLDGMSA-N 430.313 2.671 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 12919329 AIDJXDWPOCVYKQ-UHFFFAOYSA-N 427.570 2.830 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1cc(Cl)ccc1Cl 12930712 VQGLXRVLGSFPHY-ZUOKHONESA-N 437.279 2.963 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)cc1 13006148 QQHUFDZOXYQHQD-UHFFFAOYSA-N 441.553 2.659 0 40 IFAB C[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N1c2cccc3cccc(c23)S1(=O)=O 13566745 XXEAYKBVXMVFMK-CYBMUJFWSA-N 436.493 2.566 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3cc4ccccc4oc3=O)n2)cc1 13796130 AYZHIVFMDUUXNG-UHFFFAOYSA-N 431.448 2.845 0 40 IFAB O=C(OCC(=O)N1CCCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 14198578 BNGGVJHEHNVSJE-UHFFFAOYSA-N 435.329 2.603 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)S(=O)(=O)C1=Cc2ccccc2CC1 14228436 NVQNCHCOKNPQHQ-LJQANCHMSA-N 449.598 2.608 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1F 16188314 OUHRHBJOEWKQLA-UHFFFAOYSA-N 449.273 2.995 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc(COc2ccc(C)cc2)n1Cc1ccco1 16789372 PVKKYCNBEMZUHV-UHFFFAOYSA-N 444.513 2.578 0 40 IFAB CCOC(=O)C1=C(COC(=O)COc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccco1 18221078 FJGYIJGIMNZQOF-SFHVURJKSA-N 434.832 2.726 0 40 IFAB O=C(c1cnccn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccccn1 19400249 NSRYSCNGHUWGEF-WOIUINJBSA-N 431.471 2.781 0 40 IFAB CC(C)N1CCc2c(O)nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 19448417 XMHAIBGUFZOSGF-SFHVURJKSA-N 438.500 2.753 0 40 IFAB CCN1CCN([C@H](c2ccccc2)c2nnnn2CCc2ccc(OC)c(OC)c2)CC1 19528057 NCYMXEGCRUGHBO-HSZRJFAPSA-N 436.560 2.660 0 40 IFAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2cc(C)nn2)C1 19528943 JHLFRYMSHKHYJI-QHCPKHFHSA-N 437.569 2.913 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 19703037 RQUDAYJGFRQINO-MRXNPFEDSA-N 447.463 2.913 0 40 IFAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1CN(C)CC2 19710247 VBZMGBWLACKYTB-LJQANCHMSA-N 445.589 2.739 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CCN(C(=O)[C@H](c1ccc(Cl)cc1)N(C)C)C2 19710909 WOSFIEZZROZPEI-FQEVSTJZSA-N 442.995 2.826 0 40 IFAB CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 19756622 HOHGIERECVHXMB-FQEVSTJZSA-N 431.968 2.517 0 40 IFAB CN(C)c1cccc(C(=O)N2CC[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c1 19760948 SAFUAUYLPFGPKX-SFHVURJKSA-N 432.524 2.653 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCC(C)C)cc12 19824097 AHLJVBSWYCMQTL-UHFFFAOYSA-N 430.618 2.810 0 40 IFAB COc1cc2c(cc1OC)CN(C[C@@H](O)COc1ccc3c(C)cc(=O)oc3c1)CC2 20426923 FVSCOYXHVFTUGN-GOSISDBHSA-N 425.481 2.917 0 40 IFAB biogenic CC(C)Cn1c(N2CCN(Cc3cccc4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C 20565829 YIGRMOXLRFETAJ-UHFFFAOYSA-N 446.555 2.555 0 40 IFAB O=C(CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1)Nc1cccc(F)c1 20720142 LMYDZORLJUCMDX-NRFANRHFSA-N 428.439 2.828 0 40 IFAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1OC 20726753 XOSFXHLAEQFENH-INIZCTEOSA-N 426.469 2.505 0 40 IFAB CCCCn1nnnc1NCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 22111421 QQAXPYBATMFRIX-UHFFFAOYSA-N 449.519 2.957 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 24984626 AXXQLMJSEOMOIG-LXMRNRCJSA-N 441.534 2.592 0 40 IFAB CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C[C@@H]1COc2ccccc2O1 26922409 MDKACBBXBAIAGX-MRXNPFEDSA-N 428.489 2.879 0 40 IFAB O=C(CN1CCN(c2cnccn2)CC1)N1CCc2sccc2[C@H]1c1cccs1 27635028 KUIQNMIZYHXLGX-NRFANRHFSA-N 425.583 2.896 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)NCCC1=CCCCC1 28721675 IHBJXWRCUIODOG-XMMPIXPASA-N 435.572 2.969 0 40 IFAB Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n2ncnc2n1 32784312 DYAWTZWNJABEOY-UHFFFAOYSA-N 438.469 2.748 0 40 IFAB Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1 32991018 STXPDPYAFAFEPZ-XBCMEMFWSA-N 445.566 2.602 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38855201 RBEFHGYYVZDACW-HXUWFJFHSA-N 445.541 2.628 0 40 IFAB O=C(COc1ccccc1)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 43956472 UMEAYRZCSKVEAX-UHFFFAOYSA-N 428.963 2.997 0 40 IFAB CCN1C[C@H](CN(C)C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)Oc2ccccc21 48355724 QYPPQAAZABUNQX-PZJWPPBQSA-N 438.507 2.650 0 40 IFAB CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 58210581 SYBWQLYSKVRZMG-LJQANCHMSA-N 429.565 2.552 0 40 IFAB NS(=O)(=O)c1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 58511449 GTLNSZXFABJOGJ-UHFFFAOYSA-N 427.360 2.760 0 40 IFAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC1)NC2=O 72327490 CPDBVUYVTNBKOB-KWCZIXHQSA-N 443.544 2.610 0 40 IFAB Cc1nc2c(c(NC[C@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)N1S(=O)(=O)c1cccc(F)c1 72373162 RLMYOHIUOQRSMB-FRQCXROJSA-N 432.521 2.966 0 40 IFAB CCCNC(=O)CN(CCC)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 79069796 SBQPZINXZICEES-AWEZNQCLSA-N 447.395 2.624 0 40 IFAB CCNc1nc(C)cc(Nc2ccc(NC(=O)COc3ccc(-n4cccn4)nn3)cc2)n1 90607724 QAXYRFPPXCWNFN-UHFFFAOYSA-N 445.487 2.954 0 40 IFAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)c(OC)c1 95445223 PTKBTZCFXBOOFX-INIZCTEOSA-N 440.543 2.649 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NCc3nccs3)CN(C)C(=O)C2)cc1 96113457 XBAXFAYBOCRZTC-QZTJIDSGSA-N 430.574 2.575 0 40 IFAB biogenic,in-vitro CCOC(=O)Cn1/c(=N/C(=O)c2cccc(OC)c2OC)sc2cc3c(cc21)OCO3 101035451 SERKNNLWLKRTQJ-DQRAZIAOSA-N 444.465 2.753 0 40 IFAB COC(=O)[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn2[C@@H]1C(=O)OC 102112662 AXLVOYPILFLVGR-PMACEKPBSA-N 448.479 2.777 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCCOC(C)C 223621655 RCXMIJRWFSSDFB-UHFFFAOYSA-N 426.579 2.734 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCOC1CCCC1 224107902 YAEXBNJFHOOEOB-UHFFFAOYSA-N 438.590 2.878 0 40 IFAB CCOc1cccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c1 224620445 ORBGAFFHPAVKIC-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccccc1Cl 224639632 DGNJQWHJKUUMPT-UHFFFAOYSA-N 440.949 2.727 0 40 IFAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 224815261 RKRIMWIFXLPDHH-UHFFFAOYSA-N 426.520 2.890 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3[C@H]4CO[C@@H](O4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)c(OC)c1 247905806 SENZXLJEQCKYHY-JMZPOBLZSA-N 433.460 2.727 0 40 IFAB O=C(CCn1cccn1)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257299388 RPVYHOBJTQFQQF-FQEVSTJZSA-N 429.908 2.871 0 40 IFAB CNC(=O)c1cnn([C@@H]2CCCN(C(=O)C3(c4ccccc4F)CCOCC3)CC2)c1 257335205 YJCYHEQHDQAQEO-GOSISDBHSA-N 428.508 2.684 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 408606961 PMXDXZPTOLJAEE-UHFFFAOYSA-N 441.475 2.634 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)c(C)c2)cc1 408679298 VUMBOBNLKFTGRB-UHFFFAOYSA-N 441.509 2.895 0 40 IFAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 409051730 CFVNRVNBWIHQFP-UHFFFAOYSA-N 449.551 2.920 0 40 IFAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)CCOc3ccc(Cl)cc3)cc2NC1=O 585281436 JIGZQOAEDLKQBL-MRXNPFEDSA-N 438.889 2.724 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3CCN(C(=O)c4ccco4)CC3)n2)cc1Cl 2235596 OCYBHIUJWNPFOQ-UHFFFAOYSA-N 427.896 2.710 0 40 IFAB Cc1c(N(C)S(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3222751 FYSXOAMEZRDVQM-UHFFFAOYSA-N 435.889 2.661 0 40 IFAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1 3421475 HEQVORUGKWWINS-UHFFFAOYSA-N 436.342 2.753 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(Cc3ccccc3F)n2N)n1 3445325 NHPWBLXODFUTQZ-UHFFFAOYSA-N 437.508 2.833 0 40 IFAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](CSC)C(=O)O)c(C)c13)CCC(C)(C)O2 8765068 RGEWPFJMSSEWIA-AWEZNQCLSA-N 449.525 2.689 0 40 IFAB biogenic COC(=O)C1=NN(c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 9075285 OJSVDQXXYFVJIC-DOTOQJQBSA-N 442.269 2.665 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cccs2)CC1 9460273 JJZZYGWZMJORKZ-KRWDZBQOSA-N 431.583 2.584 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1cccc(F)c1 9674730 KHQIXFQIWBPOND-HOTGVXAUSA-N 446.236 2.520 0 40 IFAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)N1CCN(c2ccccc2)CC1 9716452 HNPDQGZXIKOTEE-UHFFFAOYSA-N 445.519 2.930 0 40 IFAB COc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1S(=O)(=O)N(C)C 9792653 LHPVJMLOYYXWRC-UHFFFAOYSA-N 437.606 2.864 0 40 IFAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(C(F)(F)F)n3C)ccc21 9799129 LGRXCVFCSHHUDD-UHFFFAOYSA-N 434.465 2.521 0 40 IFAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccnc1)c1ccccc1 10004269 SCJFOLQRKMISSY-MOPGFXCFSA-N 434.404 2.556 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)cnc3ccccc32)c1C 10214488 QDABUQFNUWALLS-IBGZPJMESA-N 448.523 2.660 0 40 IFAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 12163033 JHSCHRZCALCHAG-UTSGNWPNSA-N 428.577 2.573 0 40 IFAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 12229146 MVWVOAGLGMOJOM-UHFFFAOYSA-N 442.850 2.741 0 40 IFAB COc1ccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)cc1OC 12628005 FOSVBYLPEJTZDX-UHFFFAOYSA-N 447.538 2.934 0 40 IFAB Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc12 12764701 VUCZBFJDQPGEEU-UHFFFAOYSA-N 438.962 2.743 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2)CC1 12986309 BXZJJPQMZMHZCR-UHFFFAOYSA-N 447.532 2.957 0 40 IFAB COc1cc(COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)ccc1OC(F)F 12988701 RNQRIPLLQCDTAL-JOCHJYFZSA-N 446.406 2.949 0 40 IFAB CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1 13011285 QEHUFKSOFSGAJV-FQEVSTJZSA-N 427.526 2.791 0 40 IFAB C[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc(F)c1 13096463 FBRIVQXFKBCLNB-ZACQAIPSSA-N 449.548 2.913 0 40 IFAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCCC2)cc1 13130869 ZUWLGTMQGOCOJH-HXUWFJFHSA-N 432.542 2.972 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 13632731 ROHVYBIUTSNHTG-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB COc1ccc2c(=O)c(Oc3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3)coc2c1 13729082 NJXCCHWGLCVKTD-AWEZNQCLSA-N 429.450 2.511 0 40 IFAB biogenic CC1CCN(C(=O)CSc2nnc3n2-c2sc4c(c2-c2ncnn2-3)CCC4)CC1 13803587 NDVKEEIEIDJXKD-UHFFFAOYSA-N 427.559 2.729 0 40 IFAB O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1 14014250 SNTKPOCSXGTANN-OAQYLSRUSA-N 449.523 2.635 0 40 IFAB O=C(COc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 14738171 JXFUDCVBBOZJSY-UHFFFAOYSA-N 429.325 2.905 0 40 IFAB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 15083697 KGEMNIQVUIEFHD-UHFFFAOYSA-N 435.429 2.777 0 40 IFAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(OCc2ccccc2)cc1 15938288 LNRRHEGBTGNKRX-YOEKFXIASA-N 426.465 2.651 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)N2CCCCC2)s1)c1cccc(Br)c1 15941968 JCOQBTBWSPWIDT-UHFFFAOYSA-N 431.337 2.728 0 40 IFAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4snnc4C)CCO3)c2)cc1 19212707 LEZXOZDNQYNESA-HSZRJFAPSA-N 436.537 2.761 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19285182 CDWXTEPFJVITAO-NRFANRHFSA-N 438.509 2.831 0 40 IFAB O=C1NCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@@H]1Cc1ccc(-c2cccnc2)cc1 19340728 VPKOJGUKPQSQJR-KRWDZBQOSA-N 443.429 2.921 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(CC(=O)N3CCCCC3)CCO2)cc1 19694892 UVRCTTXGMQWVJK-NRFANRHFSA-N 439.560 2.604 0 40 IFAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)Cc4csc(C)n4)C3)[nH]c2C(N)=O)cc1 19698888 WHKYFCVKGCKBBW-HNNXBMFYSA-N 439.541 2.898 0 40 IFAB O=C(Nc1nccs1)c1ccc(C2CCN(C(=O)COC[C@@H]3CCCO3)CC2)nc1 19705822 UNJQNOJCPAXLDY-KRWDZBQOSA-N 430.530 2.692 0 40 IFAB O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 23805402 ZUIKTLDDXTUKRN-NRFANRHFSA-N 441.959 2.837 0 40 IFAB O=C(NCCCN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 30860024 NWRXVYKQZDWRED-UHFFFAOYSA-N 442.025 2.874 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30939753 RCEKEKPDQKBSIQ-HXUWFJFHSA-N 445.541 2.691 0 40 IFAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 32759472 KXOBNCDEJNOUDA-UHFFFAOYSA-N 437.461 2.648 0 40 IFAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 32760436 NCDXLEOALXLVBT-FQEVSTJZSA-N 425.916 2.929 0 40 IFAB O=C(COc1ccc(N2CCCC2=O)cc1)NCCc1cc(Cl)c2c(c1)OCCO2 32854775 FBWYASZUTGNPIN-UHFFFAOYSA-N 430.888 2.976 0 40 IFAB C[C@@H](CNC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 34886374 GLZKIIVUOGLNRM-KZFLWGQDSA-N 427.570 2.525 0 40 IFAB C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@@H](C)[C@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 34887491 MBEKJHUHBKSWHB-XLKGFZLASA-N 430.501 2.959 0 40 IFAB Cc1c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)oc2ccc(Br)cc12 34889499 NDNUZYXHQNYXGH-UHFFFAOYSA-N 434.334 2.884 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1 35941496 IMUAGJOFSPYVBQ-OAHLLOKOSA-N 438.484 2.641 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)cnc32)c1 44166553 VRLNZNYKAZWSSN-UHFFFAOYSA-N 449.858 2.797 0 40 IFAB COC(=O)c1cc(C)nc2nc(S[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)[nH]c(=O)c12 48368332 ASEPPQIJGPJFIA-VIFPVBQESA-N 434.424 2.811 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)SCC5)CC2)cc1 49403648 VGWWXPYAEPMFGF-UHFFFAOYSA-N 434.521 2.667 0 40 IFAB O=C(NC1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1)c1ccccc1 58014400 SWIISZQUNHPCFG-FQEVSTJZSA-N 425.554 2.703 0 40 IFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2CC(=O)Nc2nonc2C)cc1 100143871 CLZFOJOJFWMSLO-DNVCBOLYSA-N 445.483 2.797 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)=C2)c1 101552365 GJCPIFYGHCLPKC-KSFYIVLOSA-N 431.558 2.986 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219670717 DOCBYHCLDIJJJG-KRWDZBQOSA-N 428.510 2.948 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222371058 JLWIMGUQKMOQAN-IBGZPJMESA-N 445.585 2.541 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225271906 RCGQGRSRRBWGLL-INIZCTEOSA-N 442.541 2.660 0 40 IFAB Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccnc3)[C@H]2C1 248340682 VIDGOZLQULOMTE-DKICVRJWSA-N 430.555 2.703 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C(C)C)nn2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257213145 CGIPRDSGKKDPOK-HSZRJFAPSA-N 446.555 2.766 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4cccc(C)n4)n3)C2)c(C)n1 257335194 YJAJOKSQHPVKCK-SFHVURJKSA-N 442.545 2.816 0 40 IFAB CCOCC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 306135468 ORUPPEQFKAZSFY-GBXCKJPGSA-N 439.560 2.630 0 40 IFAB CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCC(=O)O)cc2Br)C1=O 409237236 ISRFRJLZLKGIRU-WUXMJOGZSA-N 427.251 2.614 0 40 IFAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4[C@@H]5C=C[C@@H](O5)[C@H]4C(=O)O)CC3)n2)s1 585263284 AMBVQIBXAUUPCK-OGWHTMIXSA-N 440.525 2.950 0 40 IFAB Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)CC2)c1 1631765669 OZTBRRYNLHVOMK-VWLOTQADSA-N 436.508 2.525 0 40 IFAB O=S(=O)(CCOc1ccccc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888897379 VHNDDABPJPEIAS-IYBDPMFKSA-N 441.475 2.877 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)c(OC(C)=O)c(OC)c1 1436772 AGQRJLDAZBIEQC-CQSZACIVSA-N 443.319 2.739 0 40 IFAB CN1CCN(c2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCN(C)C4)CC1 2429170 OPWNSIFFKPUVMZ-UHFFFAOYSA-N 429.977 2.840 0 40 IFAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 3534414 QXVOUCOPGJZESM-UHFFFAOYSA-N 439.497 2.989 0 40 IFAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 3550224 USJPEFOEWYHEJW-HSZRJFAPSA-N 430.489 2.946 0 40 IFAB COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1 4848292 AZENCICQLIFPJE-UHFFFAOYSA-N 426.517 2.720 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccccc3)n2)cc1 6973657 PTNZCUBXWGMOJO-UHFFFAOYSA-N 448.527 2.831 0 40 IFAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(c2ncccn2)CC1 9126480 ZAJWCOHTJBBSBF-QHCPKHFHSA-N 431.540 2.662 0 40 IFAB CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1F 9392340 RDOPHQVGTPBUTE-GOSISDBHSA-N 425.507 2.698 0 40 IFAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)c1 9410010 DAEUQYJMWHGXSC-UMCMBGNQSA-N 436.464 2.638 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 9428414 BNQWFBYQJUWALC-FUMNGEBKSA-N 435.867 2.946 0 40 IFAB CCN(C(=O)CSc1nc(C)nc2sc3c(c12)CCC3)[C@H]1CCS(=O)(=O)C1 9510023 GHORBLORNKZRMZ-LBPRGKRZSA-N 425.601 2.616 0 40 IFAB COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)Nc1nc2ccccc2[nH]1 9749512 DMEGTYQIVOLBLL-HNNXBMFYSA-N 434.543 2.610 0 40 IFAB COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 9829378 NURJEWNEYRYUOS-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB Cc1nnc2c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc3ccccc3n12 10231818 MOOBLAKIPXIZHC-UHFFFAOYSA-N 442.932 2.750 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)cc1 10255287 RPFGXTAAWKNOET-QGZVFWFLSA-N 427.526 2.844 0 40 IFAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3nnc4ccccc4c3=O)n2)c(F)c1 10995123 BDHUVTPZNABBKZ-UHFFFAOYSA-N 438.444 2.651 0 40 IFAB CCOc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071686 RDZZMMWJKGLHCB-UHFFFAOYSA-N 435.459 2.609 0 40 IFAB Cc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228115 GXRIHBZUEQVVDF-UHFFFAOYSA-N 437.843 2.911 0 40 IFAB O=C(CCC(=O)OCC(=O)NC(=O)NCc1ccccc1)CCC(=O)c1cccs1 12940756 UGLJKHAJJFOZCX-UHFFFAOYSA-N 430.482 2.630 0 40 IFAB CCc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 13501944 OGAYRNVERZYCJP-KRWDZBQOSA-N 444.557 2.753 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 13681778 BOIHKYMOXGXCKK-INIZCTEOSA-N 449.511 2.671 0 40 IFAB COc1cc(-c2nc(CC(=O)N3CCC4(CC3)OCCO4)cs2)cc(OC)c1OC 13734612 UWIDTRKFDXIGBT-UHFFFAOYSA-N 434.514 2.744 0 40 IFAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1 15019707 JTPSIYGNGDUWDX-UHFFFAOYSA-N 431.543 2.512 0 40 IFAB COc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 15615300 FFCBCIDYRLYPHX-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15967979 BDYLUWBKBGWIEL-NAZDKBRTSA-N 449.576 2.711 0 40 IFAB biogenic Cc1cccc(-n2ccnc2SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1 16126637 NEUURCZNJFQUIR-HNNXBMFYSA-N 442.566 2.898 0 40 IFAB CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccc(OC)cc1 16678339 JTPVFZWRRKCGEC-UHFFFAOYSA-N 445.585 2.671 0 40 IFAB Cc1nn(C)cc1[C@H]1Oc2ccc(O)cc2C2=C1[C@H](c1cn(C)nc1C)n1ncnc1N2 17096862 BUSDNXYLHAFKSX-LEWJYISDSA-N 430.472 2.627 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2cccc(OC)c2)c2nccn2C)cc1 17522256 WEVJNDNLGXSAKU-IBGZPJMESA-N 429.498 2.673 0 40 IFAB COc1cc(C(=O)N2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC 19020408 PCNSCBIKJQIQCU-OAQYLSRUSA-N 427.501 2.837 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19239452 LXRWXEYCQVRQBM-FQEVSTJZSA-N 435.528 2.526 0 40 IFAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337621 IFGKJWIXSSVKKN-HXUWFJFHSA-N 435.528 2.607 0 40 IFAB O=C(CCn1cncn1)N1CCC[C@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 19340761 VQBJTFDVCPIPHQ-FQEVSTJZSA-N 446.559 2.917 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N[C@H]1CCOc2ccccc21 19353545 AZMMWQCGCKESJW-SFHVURJKSA-N 447.582 2.988 0 40 IFAB COc1cccc2c1OC[C@@H](C(=O)N[C@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)C2 19445565 OLYYDILLHPHVSE-KKSFZXQISA-N 434.496 2.905 0 40 IFAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)CCN2CCC(C)=N2)CCNC1=O 19461979 OKHYCLSTAWBXHR-OAQYLSRUSA-N 448.567 2.951 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(CC(=O)Nc2ccc(F)cc2)CCO1 19702647 KXEFGAUDZQGCPM-INIZCTEOSA-N 428.489 2.807 0 40 IFAB CN(c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1ccccc1 19937845 NFCXWSSGVQCNIM-UHFFFAOYSA-N 439.493 2.628 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)O)c3c[nH]c4ccccc34)CC2)cc1 20724408 FMZHVXIFAVMXGR-NRFANRHFSA-N 443.525 2.699 0 40 IFAB COC(=O)c1cn(CC(=O)OCC(=O)c2ccc(CCNC(C)=O)s2)c2ccccc12 21761528 OXJSRTDAOXHNGZ-UHFFFAOYSA-N 442.493 2.594 0 40 IFAB COc1ccccc1N1CCN(C(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)CC1 22384166 YNCQEFHKJVYMSJ-UHFFFAOYSA-N 445.585 2.735 0 40 IFAB COc1cccc([C@@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 22804923 CWRNNFDPHSSPLM-NZQKXSOJSA-N 446.617 2.795 0 40 IFAB O=C(CN1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1)Nc1ccc(F)cc1 22934613 XZRHTDJTSQZPLE-UHFFFAOYSA-N 443.454 2.683 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O 23257721 UMGNISCESITPIG-AREMUKBSSA-N 448.567 2.640 0 40 IFAB NC(=O)CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1C1CC1 23365585 ONMYKSCFRDGFRC-UHFFFAOYSA-N 439.335 2.857 0 40 IFAB O=C(NCCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 29837978 RHLQPMOLSOQJKQ-UHFFFAOYSA-N 441.597 2.652 0 40 IFAB O=C(CN(CCc1ccccc1)C(=O)CN1C(=O)COc2ccccc21)NC1CCCC1 35312496 PPITVNUPWSAMJP-UHFFFAOYSA-N 435.524 2.542 0 40 IFAB O=C(Nc1cc2ccccc2oc1=O)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 36708443 XJMPDZZPQWNVRG-CQSZACIVSA-N 439.449 2.861 0 40 IFAB CN(Cc1ncc(C(=O)O)c(NCc2ccccc2)n1)S(=O)(=O)c1ccc(F)cc1 49469922 HCVBDWADECIOEK-UHFFFAOYSA-N 430.461 2.747 0 40 IFAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 57489837 JRQASDWCCPCBRV-UHFFFAOYSA-N 449.488 2.932 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204952 XPHIFVPZIAGTMR-JOCHJYFZSA-N 438.503 2.737 0 40 IFAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)Nc1ccnc(Sc2ccccn2)c1 69950346 VPFDBTMBPYIHFQ-UHFFFAOYSA-N 431.477 2.838 0 40 IFAB Cn1ncc2c(N3CCN(CC[S@@](=O)c4cc(Cl)ccc4Cl)CC3)ncnc21 95949725 WEAWEMLKKARRSU-NDEPHWFRSA-N 439.372 2.600 0 40 IFAB COc1ccc(CN2C[C@H]3CN(Cc4cc(OC)c(OC)c(OC)c4)CCN3C2=O)cc1 96269130 XZIZOXKUCDVEDJ-LJQANCHMSA-N 441.528 2.843 0 40 IFAB biogenic,in-vitro COc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)c2c1 96345365 SDVVNOKDLFIIRX-AWEZNQCLSA-N 435.459 2.904 0 40 IFAB Cc1cc(C)n2c(S[C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)nnc2n1 101076961 CZWBXULOJKBMPO-ZDUSSCGKSA-N 432.303 2.928 0 40 IFAB CCOC(=O)C1=NN(c2cccc(OC)c2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101091081 XISGXSRXQRUGSZ-IEBWSBKVSA-N 441.871 2.954 0 40 IFAB CC(C)c1ccc(CNc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)cc1 101969255 HNBSUHMXMLHTAH-UHFFFAOYSA-N 431.452 2.933 0 40 IFAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 102974013 JPLZGMGLGQNBBQ-BHDDXSALSA-N 428.573 2.903 0 40 IFAB COC(=O)c1c(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)sc2c1CCCC2 223090712 MKJJWAGWYVUELA-KRWDZBQOSA-N 436.555 2.985 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224657816 SCKDYPFNWCEEGO-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB C[C@H]1C[C@@H](C)C[C@@H]([C@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1=O 254044949 BCMABKOQTPATAU-QIJLZVCCSA-N 427.497 2.865 0 40 IFAB COc1ccc(Cc2cnc([C@H]3CCCN(S(=O)(=O)c4cn(C)nc4C)C3)o2)cc1 257272662 NDIVHRIRFIHOPD-KRWDZBQOSA-N 430.530 2.884 0 40 IFAB Cc1nc2ccc(NC(=O)[C@@H]3CN(C(=O)c4cnc(C(C)C)nc4)CCN3C)cc2s1 257324388 WOMKYFWIMVTSAO-SFHVURJKSA-N 438.557 2.913 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 260902805 VWRLTOSNUHOJKJ-QGZVFWFLSA-N 447.557 2.633 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(Cc4cccnc4)C[C@H]3c3cccnc3)C2=O)cc1 306137798 RGQIHTFQPWTALQ-AHWVRZQESA-N 444.535 2.882 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 408590023 GRYLLLLDSWTAQD-IBGZPJMESA-N 445.585 2.636 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408594262 OFRWJMMQPBLVAJ-GFCCVEGCSA-N 440.905 2.831 0 40 IFAB CC1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 408710023 LSRBFQNEPLCPKA-UHFFFAOYSA-N 437.496 2.979 0 40 IFAB C[C@H]1CN(C[C@@H](C)O)CCN1CCOc1c(Br)cccc1Br 501971758 AFBNMUZGVSOTRG-QWHCGFSZSA-N 436.188 2.977 0 40 IFAB O=C(NCCCN1CCN(c2ccccc2Cl)CC1)N[C@@H]1CCN(c2ccccn2)C1 509749967 GKQXRPYKTOTGAJ-LJQANCHMSA-N 442.995 2.825 0 40 IFAB Cc1nc(O)c(Br)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 560679891 SQIRUPVMSNAUMC-INIZCTEOSA-N 434.334 2.879 0 40 IFAB CN(C)CCOc1cccc(CN2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)c1 585282609 LSJYPJXNDJVQSB-QHCPKHFHSA-N 436.499 2.548 0 40 IFAB CC(C)[C@@H](CO)NC(=O)CCc1ccc2c(c1)CN(C(C)C)CC(=O)NCCCCCO2 643576204 SUAYYZBMDHFCRY-JOCHJYFZSA-N 447.620 2.642 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 654048 XRIVPGYPCNWNMS-UHFFFAOYSA-N 445.541 2.908 0 40 IFAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1Br)CC[C@@H](C)C3 2778189 RHQNCZSJDQMCCT-MRVPVSSYSA-N 436.335 2.771 0 40 IFAB O=C(OCc1nc2ccccc2s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3458794 DTFOJWVMEPOQQS-UHFFFAOYSA-N 436.486 2.813 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3498171 FNYOPQLZBYUBGH-UHFFFAOYSA-N 447.296 2.753 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 8015677 LWEBIUKLNWRIHH-APWZRJJASA-N 436.505 2.845 0 40 IFAB CCOC(=O)c1c(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)sc(C(C)=O)c1C 8611907 DTQGWPNMKGVHBA-UHFFFAOYSA-N 445.906 2.535 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCO)Cc2ccc(Cl)cc2Cl)cc1 9144614 PWLDERWYUUMIIV-UHFFFAOYSA-N 445.368 2.991 0 40 IFAB Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3cccc(S(=O)(=O)N(C)C)c3)cnc12 9339331 NNZBUFLLXCVANZ-UHFFFAOYSA-N 428.539 2.922 0 40 IFAB O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9589545 LFIKJTZOPMTQQB-UHFFFAOYSA-N 429.498 2.798 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2)c1 9749350 CMIOWIUWUIPZJF-FQEVSTJZSA-N 443.569 2.992 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 9937850 DXNXVSYCSLKPKJ-UHFFFAOYSA-N 435.461 2.639 0 40 IFAB CCOc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 10111045 GLFIUPDXPHOAOU-UHFFFAOYSA-N 446.569 2.777 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 11999062 TYCXZEJYNIYOFF-UHFFFAOYSA-N 440.459 2.909 0 40 IFAB COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 12761064 WNJIWTVHWKVZSA-HZPDHXFCSA-N 446.525 2.548 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 12846589 VJDVWWAJURMGNH-UHFFFAOYSA-N 426.423 2.671 0 40 IFAB Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 12897689 WEWPNFQQZSPXTM-UHFFFAOYSA-N 435.521 2.537 0 40 IFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 13113110 LUVWFUYTJOUCGW-XUSGNXJCSA-N 427.482 2.630 0 40 IFAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2Br)cc1OC 13135119 QQSDRWLUFYSFSX-UHFFFAOYSA-N 436.258 2.622 0 40 IFAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N1CCN(C=O)CC1 13945772 QJXDMLNEZFTLQA-XMMPIXPASA-N 430.508 2.712 0 40 IFAB COc1ccc(S(=O)(=O)NCCCCCCCCCCC(=O)O)cc1-n1cnnn1 15108610 NAGVZAQEZPDCAA-UHFFFAOYSA-N 439.538 2.545 0 40 IFAB CC(C)C[C@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12 15319320 CCJUYJPNWLJZOB-ZHBILRMLSA-N 435.499 2.817 0 40 IFAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc1 15894300 CJOSQSGPEHYFBB-BLRYILKCSA-N 433.464 2.579 0 40 IFAB biogenic CC(C)CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Br)cc3)nnc12 17113189 SZGRGFHNQMKYPM-UHFFFAOYSA-N 445.321 2.557 0 40 IFAB CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)C1=O 17288364 VTTNXLAHFCECHI-UHFFFAOYSA-N 429.498 2.574 0 40 IFAB CC(C)N1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19448196 BLEVLBKHQRNMQF-IBGZPJMESA-N 434.537 2.591 0 40 IFAB COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cnc(OC)nc2OC)c(OC)c1 19552183 PIURGSKGDTUGEQ-NWMVZANLSA-N 429.517 2.631 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc1Cn1cccn1 19559421 LCJUQSQXHUHWIK-UHFFFAOYSA-N 431.496 2.728 0 40 IFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)COC[C@@H]4CCCCO4)nn3cn2)cc1 19574421 LYWVONJLWXYPAE-YJBOKZPZSA-N 425.489 2.563 0 40 IFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)CCN(C)c1cccc(F)c1)CC2 19710241 XXQZNDICBYPRPL-KRWDZBQOSA-N 440.567 2.878 0 40 IFAB CCN(CC)CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)C3)C1 19743856 BIOMRRPKHNDBIL-OAQYLSRUSA-N 449.599 2.965 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc2C)cc1 19913216 LWZJANHFZIUVKR-UHFFFAOYSA-N 435.977 2.926 0 40 IFAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)NCCCN1CCOCC1 19938229 SXUMOBNLHAUBPC-XMMPIXPASA-N 432.524 2.552 0 40 IFAB COc1ccccc1CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244327 VWTACAKNHNDVTK-UHFFFAOYSA-N 433.574 2.674 0 40 IFAB CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22332435 DHCMULCIISBUIJ-GOSISDBHSA-N 436.530 2.746 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(OCC)c1)S(C)(=O)=O 22394044 CBKNOKTXVFGJCW-UHFFFAOYSA-N 433.530 2.630 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(Cl)c1Cl 24985657 CZQYECRUIQPNIS-BMIGLBTASA-N 433.313 2.694 0 40 IFAB O=S(=O)(c1ccc(Br)s1)N1CCN(C[C@H](O)c2ccccc2F)CC1 26923093 PBVLXPZNLTYDAR-AWEZNQCLSA-N 449.367 2.690 0 40 IFAB Cc1cc(C)cc(N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)c2ccc(Cl)cc2)c1 33019817 ZKVOSULFYQEZCS-UHFFFAOYSA-N 449.960 2.501 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(C)cc1C 38179375 LVEUDJUHXQEPTN-GOSISDBHSA-N 435.484 2.896 0 40 IFAB COCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ccsc2c1=O 57425727 MROUOKHIVWMKDH-UHFFFAOYSA-N 435.527 2.852 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCCC4)n2)cc1OC 61717570 FVHAIXZQASIKTA-UHFFFAOYSA-N 426.498 2.902 0 40 IFAB Cc1ccc(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)cc1 65501944 IINYRCOWURVVHD-UHFFFAOYSA-N 448.548 2.960 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 107271927 JGEJVJQUFWTNAN-QFIXIFRTSA-N 433.505 2.808 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3C)C2)cc1 108401383 LHFDQHIHWFTAMD-SFHVURJKSA-N 432.542 2.600 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOc4ccccc43)C2)cc1OC 222572509 WZEWLGLOKNKIEH-MRXNPFEDSA-N 446.525 2.530 0 40 IFAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224243062 YTZQKTYAHQMLFI-AWEZNQCLSA-N 426.922 2.553 0 40 IFAB CCOC(=O)C1CCC(CNC(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)CC1 225737075 HWYUYQDGWMJVIJ-UHFFFAOYSA-N 443.592 2.993 0 40 IFAB COc1ccccc1Cc1cnc([C@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)o1 257289105 PWZNTSKICQIUKN-KRWDZBQOSA-N 430.530 2.884 0 40 IFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCCn1ccnc1 524729917 OIMGNHHTZKIYOK-JOCHJYFZSA-N 429.480 2.595 0 40 IFAB biogenic COc1ccccc1S(=O)(=O)N1CCC(c2cc(Nc3cnccn3)cc(C)n2)CC1 585176601 IYBVFAJKDYQTFQ-UHFFFAOYSA-N 439.541 3.501 0 40 IFAB Cc1ccccc1N1CCN(c2ncc3c(=O)n(Cc4ccccc4F)c(O)nc3n2)CC1 888107231 VUNUVONLHFTKCG-UHFFFAOYSA-N 446.486 2.715 0 40 IFAB O=C(CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1cc2ccccc2s1 1632772677 PIIGLUDCFNUZLH-AEFFLSMTSA-N 440.496 2.544 0 40 IFAB NS(=O)(=O)c1cccc2c1CCN(c1cc(C(F)(F)F)nc(-c3cccnc3)n1)C2 1652154545 DDHYZNJAUQKNJG-UHFFFAOYSA-N 435.431 2.768 0 40 IFAB CC(=O)N1CCC(N2CC[C@@H]3NC(=O)COc4ccc(F)cc4CCCC[C@@H]3C2)CC1 2037989153 XMIMDLYETSXNNW-KNQAVFIVSA-N 431.552 2.749 0 40 IFAB COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1Cl 886576 XISFSKUOHSAJHA-INIZCTEOSA-N 438.933 2.839 0 40 IFAB Cc1cccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12 1376764 XSTVHVWRFNNEQM-LJQANCHMSA-N 437.525 2.956 0 40 IFAB CCN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCN(C)C)C1 2434908 QSCMYERFZPSJJZ-UHFFFAOYSA-N 432.977 2.807 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 2689189 BYJIJEYTAYEKQH-MSOLQXFVSA-N 427.848 2.589 0 40 IFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3348727 ZDKZRDGENKFAGE-UHFFFAOYSA-N 440.468 2.581 0 40 IFAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)Nc1ncc(Cl)cc1Cl 3529536 XHAHHBXFHBOJCR-UHFFFAOYSA-N 433.251 2.840 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 3593752 BKWNBJQCGIVVKK-OAQYLSRUSA-N 429.860 2.922 0 40 IFAB CN(Cc1ccccc1)Cc1cn([C@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@H]23)nn1 5412574 VATSYGWVKQSBAF-QEGGNFSNSA-N 447.583 2.840 0 40 IFAB biogenic,in-vitro CC(C)CCNC(=O)CN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 6133976 CVXNPVUSGODBRX-UHFFFAOYSA-N 444.536 2.732 0 40 IFAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9168195 YBRSFUWZFDMXPF-CQSZACIVSA-N 449.602 2.986 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 9254202 RAJDBHAJUPISRG-SGANQWHYSA-N 446.507 2.706 0 40 IFAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9469077 CCZQPTTXDQASQS-UHFFFAOYSA-N 443.569 2.580 0 40 IFAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(Br)cc1 9660987 DYFYNTDZVLSAKI-UHFFFAOYSA-N 434.315 2.651 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1c(F)cccc1Cl 9729172 PIZZHLYBDAMNOQ-CQSZACIVSA-N 427.929 2.853 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCc2c(C)noc2C)NC(=O)N[C@@H]1c1ccccc1 9730193 RXWKAAUBQSPPIX-HXUWFJFHSA-N 427.457 2.639 0 40 IFAB C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)N1C(=O)c2ccccc2C1=O 9987400 OITRPYVIYPIXPL-LLVKDONJSA-N 429.358 2.909 0 40 IFAB CC(C)[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 10494414 DNAPNGIUEVOICY-IBGZPJMESA-N 437.587 2.966 0 40 IFAB CCn1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2ccccc21 10652094 KBYYJNVRCNHUTE-OAHLLOKOSA-N 431.518 2.700 0 40 IFAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130168 HPYVXHDRBQOIKV-CABCVRRESA-N 446.360 2.737 0 40 IFAB Cc1cccc(CCC(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)n1 12188666 VHGVUEHRFSZDSI-UHFFFAOYSA-N 440.569 2.765 0 40 IFAB O=C1c2cccc3cccc(c23)N1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 12884025 UVKZOCZQAXVAAQ-UHFFFAOYSA-N 425.485 2.903 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1Cl 12985887 QLIXXMWNIPRUEZ-LBPRGKRZSA-N 443.909 2.851 0 40 IFAB Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)C3CCN(S(C)(=O)=O)CC3)nc12 13789183 QZBCRGIMSNUODM-MRXNPFEDSA-N 437.587 2.788 0 40 IFAB COc1ccc(COC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC 14247491 GVIYQPKSQZBMAB-INIZCTEOSA-N 444.509 2.608 0 40 IFAB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c(Cl)c1 15047693 QHSDFOGUEQCGAK-HXUWFJFHSA-N 429.904 2.713 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 16154170 KIWNAODRCYSACO-UHFFFAOYSA-N 440.543 2.679 0 40 IFAB CC(C)(C)c1nn2c(=S)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)nc2[nH]c1=O 16778153 PGEOSBSYFWWTHS-UHFFFAOYSA-N 426.424 2.904 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)C4CCC4)[nH]c(=O)c3C2)s1 19216979 CTTNJLLOORLPDR-KRWDZBQOSA-N 426.542 2.802 0 40 IFAB CCS(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 19738909 NVOZTPWJVVAJLT-MRXNPFEDSA-N 432.521 2.543 0 40 IFAB COc1ccccc1[C@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1CCN1CCOCC1 20308171 CXJGTGXRIKEMPK-QFIPXVFZSA-N 434.492 2.987 0 40 IFAB NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 23141573 YYYDMMRGOBVGQB-UHFFFAOYSA-N 439.566 2.745 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 24705388 PNIGMSQQYYTVRE-UHFFFAOYSA-N 440.569 2.708 0 40 IFAB O=C(NCCCN1CCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 29521727 JXORTLPIRSRJCF-IBGZPJMESA-N 445.560 2.795 0 40 IFAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 30868025 ZJKGUKKVSRJLGO-SFHVURJKSA-N 426.542 2.960 0 40 IFAB C[C@@H](Nc1nc2ccccc2s1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 32768638 FVMCVZDMEXQTNK-MRXNPFEDSA-N 444.582 2.771 0 40 IFAB CCOC(=O)C1=NN[C@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 35146834 CMKCUMNBOZASHU-YWZLYKJASA-N 432.263 2.901 0 40 IFAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(CNC(=O)c2cccs2)cc1 40143643 UBDDKSDXOXPVBU-UHFFFAOYSA-N 426.498 2.578 0 40 IFAB COc1ccccc1CN(C)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 44839030 SPKWZHZDMXGSPJ-UHFFFAOYSA-N 441.347 2.882 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(N2CCOCC2)cc1 44841662 YJONZONZGYSHDS-UHFFFAOYSA-N 438.509 2.971 0 40 IFAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCCN(Cc2cccs2)CC1 48299137 ACZBQTRNHLXXJJ-HXUWFJFHSA-N 428.537 2.700 0 40 IFAB O=C(CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1)Nc1nccs1 48301830 NANJBKKFWVDREY-UHFFFAOYSA-N 427.935 2.638 0 40 IFAB COc1ccc(CNC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1 49009201 WTSASIGZGLFXGY-UHFFFAOYSA-N 427.530 2.641 0 40 IFAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 57984761 IFIBYTFOZALUSK-LBPRGKRZSA-N 448.346 2.764 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)cc1 78935825 TXUAGYMMONHGKM-KBPBESRZSA-N 436.534 2.670 0 40 IFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)o1 89769867 SOSKFFQHRVTWPR-UHFFFAOYSA-N 449.710 2.969 0 40 IFAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)Nc1ccc2c(c1)OCCO2 90613767 TVAWGWGQMJXRTH-SFHVURJKSA-N 430.507 2.917 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccncc1)CC2 96036925 QUTYXHWYFRLZIR-UHFFFAOYSA-N 437.569 2.712 0 40 IFAB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2N2CCCN12 100165984 PMSDETNOPBQOLI-FHWLQOOXSA-N 442.313 2.993 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224109568 OBXMAODIOIUUDE-FQEVSTJZSA-N 449.548 2.535 0 40 IFAB O=C(C1CCOCC1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225475393 ACDWVLNWMKVBSL-UHFFFAOYSA-N 441.597 2.938 0 40 IFAB biogenic,in-vitro Cc1cc(F)ccc1S(=O)(=O)N1CCC(COc2ccc(F)cc2)(CC(N)=O)CC1 257333564 YCCNTBPMYKAYAA-UHFFFAOYSA-N 438.496 2.999 0 40 IFAB CCc1nc(S/C(=C\c2cc(I)c(O)c(OC)c2)C(=O)O)n[nH]1 408630498 ANVJVTXLCAGJPY-POHAHGRESA-N 447.254 2.904 0 40 IFAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704854 ULODLSGDBGDHSQ-HIGJEIRPSA-N 434.558 2.697 0 40 IFAB CCn1c(SCC(=O)Nc2ncccn2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409124774 KOGYBZKSVSACLD-AWEZNQCLSA-N 425.518 2.618 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCCCOC)C2=O)cc(Cl)c1O 409217925 RQXJFNWCWRMZGS-ZROIWOOFSA-N 428.894 2.633 0 40 IFAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1-c1nnc(C)o1 524732689 IXZVDBGSLZKWFC-KRWDZBQOSA-N 435.440 2.523 0 40 IFAB Cn1cc(-n2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2=O)cn1 546152739 BOSWXIZHPNVBEU-UHFFFAOYSA-N 431.418 2.552 0 40 IFAB COc1cc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)CC2)ccc1F 558788563 MCTDAZXBGVAAGL-OAQYLSRUSA-N 425.504 2.717 0 40 IFAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(-c4ccoc4)o3)cc21 618255380 BWFNKMNPKHGYLE-UHFFFAOYSA-N 443.481 2.507 0 40 IFAB C[C@@]1(c2cccc(CNC(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)NC(=O)NC1=O 1115985780 NQPRURQGHSXJCL-AVRDEDQJSA-N 442.903 2.678 0 40 IFAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cn1 2298078367 GCAYCVATIAZRAX-UHFFFAOYSA-N 448.453 2.849 0 40 IFAB COc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 934343 WFJYRTLNZNDOOH-UHFFFAOYSA-N 438.871 2.929 0 40 IFAB CC(=O)N(C[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 1070444 SDVHDVJKYTZOBK-QZTJIDSGSA-N 431.286 2.663 0 40 IFAB CN(C)CCCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 2623392 LMFDNBHVMNWYGO-UHFFFAOYSA-N 436.537 2.737 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 2664293 BBKDUOXVWXVELB-KRWDZBQOSA-N 426.469 2.583 0 40 IFAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)N[C@H]1CCS(=O)(=O)C1 8862487 NHDXQTQIOXIBEW-ZDUSSCGKSA-N 437.543 2.893 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1 9034024 GSUBWGJXTLKMFA-YCRPNKLZSA-N 444.871 2.834 0 40 IFAB biogenic Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2n1 9467255 BAEVPLAMOHSNBL-KRWDZBQOSA-N 444.582 2.751 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9601283 NWJJPILBNFLJGW-HNNXBMFYSA-N 436.917 2.786 0 40 IFAB CCCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 9612916 MHFDGRKXQKNAAG-HNNXBMFYSA-N 449.504 2.547 0 40 IFAB COc1ccccc1N1CCN(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)CC1 9862238 ZRTFFYUYKIXTOP-OAHLLOKOSA-N 449.602 2.579 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)c1C 10142239 HQDSPYZLIPDPJG-UHFFFAOYSA-N 446.617 2.736 0 40 IFAB COc1cc(C)c(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1OC 11645333 LITQRYXYFTYPJP-UHFFFAOYSA-N 443.525 2.812 0 40 IFAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 13031646 ZVLFFMCQUKCUDU-SFHVURJKSA-N 449.598 2.853 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 13037933 WOBQDUCFQOOJIJ-SFHVURJKSA-N 440.569 2.916 0 40 IFAB C[C@@]1(C(=O)N(CCc2ccccc2)CC(=O)NC2CCCCC2)CC(=O)N=C2C=CC=CN21 13082990 RKMQCAMBAULJQX-SANMLTNESA-N 448.567 2.980 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)CC1=O 13096706 CDDZEOABDGSOIY-KRWDZBQOSA-N 448.479 2.724 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)cc1 13134827 MFOJDRRYNOMLPU-UHFFFAOYSA-N 428.510 2.838 0 40 IFAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)c1 15905326 MNUZQXZGLGFDJP-ICLZECGLSA-N 443.503 2.822 0 40 IFAB CC(C)C[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16022146 TUBRIGMLJAQQEY-NAZDKBRTSA-N 435.499 2.835 0 40 IFAB COc1ccc(OC)c(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 19551324 MWTQGLHTAMJNPZ-UHFFFAOYSA-N 440.525 2.859 0 40 IFAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1CC(=O)N(C)C 19694816 LSDOFGAFQMZJOC-QGZVFWFLSA-N 427.549 2.842 0 40 IFAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O 19699407 DRFMZIAJJXWQPO-UHFFFAOYSA-N 446.551 2.878 0 40 IFAB COC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 22054185 AUACEYSPFQLYBF-UHFFFAOYSA-N 425.388 2.992 0 40 IFAB in-vitro COc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1S(=O)(=O)N(C)C 23228876 ALXXUEUBWFNNSI-SFHVURJKSA-N 434.514 2.756 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cn1 24244962 GNLOCWQMJWDEQC-UHFFFAOYSA-N 427.269 2.744 0 40 IFAB CCOC(=O)c1sc(NC(=O)N2CCN(C(=O)OCC)CC2)c(C(=O)OCC)c1C 24562808 DGDLUQIPNSKYHX-UHFFFAOYSA-N 441.506 2.716 0 40 IFAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 29756702 JJWKQZZKNDWQLQ-GOSISDBHSA-N 429.952 2.570 0 40 IFAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@@H]2CCCN(c3cnccn3)C2)CC1 29886826 AYCWUPSBBNPOIN-HXUWFJFHSA-N 429.524 2.831 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC 32124333 JUTSJPMJJCXQLC-UGKGYDQZSA-N 434.496 2.860 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 32868816 OOHMRJKZRWRISS-HNNXBMFYSA-N 425.514 2.507 0 40 IFAB Cc1ccnc(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 36389864 LQBCVXXQZCIHTE-ZDUSSCGKSA-N 434.529 2.776 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3cnn(C)c3n2)cc1 36613472 GHWBGFVNKAMCOC-UHFFFAOYSA-N 445.479 2.835 0 40 IFAB Cc1nc(NCCNC(=O)C(c2ccccc2)c2ccccc2)cc(N2CCOCC2)n1 38488295 PSDAMMCJPZWAPN-UHFFFAOYSA-N 431.540 2.982 0 40 IFAB Cc1c(-c2ccccc2)oc2c(C(=O)NC3CCN(S(C)(=O)=O)CC3)cccc2c1=O 40030589 AOBNZYFVYJHZFW-UHFFFAOYSA-N 440.521 2.922 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@@H](C)O1 40089328 FQJFHCLXHLFVGR-IYBDPMFKSA-N 438.521 2.574 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)N3CCC[C@@H](c4nncn4C)C3)CCCC2)cc1C 58101263 LXJWCTFZSDRFTK-GOSISDBHSA-N 430.574 2.925 0 40 IFAB Cc1c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)oc2ccc(Cl)cc12 58378195 PJBGEQKYORHJFA-UHFFFAOYSA-N 425.872 2.897 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(C)cc1 59427863 OWLMNFBJOSFNPG-FNGUVFISSA-N 434.517 2.812 0 40 IFAB Cn1ccnc1[C@@](O)(CCNC(=O)NCc1ccccc1CN1CCCC1)C(F)(F)F 71853564 SIESHGJJUREBPE-FQEVSTJZSA-N 439.482 2.655 0 40 IFAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(F)cc1Br 72285718 FFHGOYODVTZTFN-UHFFFAOYSA-N 446.250 2.947 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N[C@H]2CCCC[C@@H]2C)C(=O)N2CCN=C32)cc1 72347795 GPUJRXWLRDYMAW-KXBFYZLASA-N 436.516 2.578 0 40 IFAB CC(=O)N1CCC(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)CC1 72371570 PZMZFUBBMOWTQT-GOSISDBHSA-N 428.508 2.745 0 40 IFAB O=S(=O)(NCCNc1nnnn1-c1ccccc1)c1cc(C(F)(F)F)ccc1Cl 84572652 JARYTWXJVTZEQI-UHFFFAOYSA-N 446.842 2.725 0 40 IFAB C[C@@H]1CN(c2ccc(NC(=O)NCC3(O)CCC4(CC3)OCCO4)cc2F)C[C@@H](C)O1 89936827 RWYSAJYCZPSACQ-HZPDHXFCSA-N 437.512 2.609 0 40 IFAB O=C(N[C@@H](CCO)c1ccccc1Br)c1cnn(CCN2CCCCC2)c1 96006457 XOAGCLLUADNHDZ-IBGZPJMESA-N 435.366 2.985 0 40 IFAB Cc1cc(C)nc(N2CCC(CN[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)n1 100215133 JLZRDTKVEDGDDK-IBGZPJMESA-N 427.936 2.885 0 40 IFAB CCc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@H]32)cc1 101168909 BENCHFZVYZZRJZ-OALUTQOASA-N 441.875 2.843 0 40 IFAB COc1ccc(C(=O)N2CCN(CCNc3cc(=O)oc4ccccc34)CC2)cc1OC 101661700 SNVDGIGYPMBAAC-UHFFFAOYSA-N 437.496 2.680 0 40 IFAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)(C3)C2 105004295 HHDWKJSKTPSSDK-UOBYYGQQSA-N 433.574 2.787 0 40 IFAB CCCSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)s1 223748821 OHZNGFUBFHASHM-UHFFFAOYSA-N 442.573 2.945 0 40 IFAB COc1ccc(OCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 224890511 YSIBESJMXWQKGD-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 225001560 GWZHIDPBHHQMCS-FQEVSTJZSA-N 435.521 2.846 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 225528184 HEJNBXRHCSPTPD-UHFFFAOYSA-N 434.514 2.694 0 40 IFAB CC(=O)NCC(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)CC1 257226772 FMBNODXSPFHPEQ-UHFFFAOYSA-N 449.979 2.866 0 40 IFAB COc1ccc(C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1N1CCOCC1 257328241 XEUUGFFEWNLHDH-UHFFFAOYSA-N 444.431 2.669 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NC1CC1 408559352 LSQDRYIXZJRYOD-UHFFFAOYSA-N 425.304 2.907 0 40 IFAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 408600583 BBOIYOZWEONEJT-NSHDSACASA-N 428.894 2.671 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2F)cc1 408625929 XLSFGQNVWXSBJT-UHFFFAOYSA-N 444.532 2.728 0 40 IFAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670246 WZFHPDYEQXSHHD-NHQIJDEQSA-N 444.915 2.962 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)c(OC)c1 408672353 YYWKPJMJUJKQCO-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB CCCCn1c(=O)nc(O)c2c1nc(CN[C@H](C[C@H]1CCOC1)c1ccccc1)n2C 539335171 XMNMPSRCMURJFF-SJLPKXTDSA-N 425.533 2.893 0 40 IFAB O=S1(=O)CC[C@@H](N2CCC(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)C1 575414373 HYJCKVLDWWFTSV-HXUWFJFHSA-N 440.631 2.664 0 40 IFAB O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 644700321 JCYKYHHITYCNHT-GOSISDBHSA-N 434.945 2.852 0 40 IFAB O=C1CC(=O)NC(NN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)=N1 1651115 PGWSHZXVGCVESQ-OQLLNIDSSA-N 442.262 2.530 0 40 IFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1 2207257 IITJFEVOEXSPSN-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB CCN(CC)CCn1c2c(c(SCC(=O)NCc3ccccc3)nc1=O)CCCC2 5254362 IDOAJFCQXLXREE-UHFFFAOYSA-N 428.602 2.872 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8816425 MOJUMCOOHLENIM-HNNXBMFYSA-N 433.505 2.848 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 9222489 AIMHZXSJIAPLAA-LJQANCHMSA-N 431.242 2.908 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Br 9257693 QTCCGTLYKHKSAU-UHFFFAOYSA-N 425.304 2.722 0 40 IFAB CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)oc(=O)c2c1 9379711 RKNLKUQFMFAGRL-HNNXBMFYSA-N 434.404 2.555 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)Nc1ccc2c(c1)OCCO2 9518590 MIQPWZQEFMDFGB-UHFFFAOYSA-N 444.444 2.641 0 40 IFAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21 9519594 LGQXXDIQLSEWBL-UHFFFAOYSA-N 433.574 2.732 0 40 IFAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 9579672 QZBBPSSTFNZBKR-OUKQBFOZSA-N 426.425 2.549 0 40 IFAB Cc1ccc(C)c(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9743619 URRBIZJQYNRSHE-IBGZPJMESA-N 443.569 2.992 0 40 IFAB Cc1nn(CC(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 11103370 CKPWFFITMGECEM-KXBFYZLASA-N 430.574 2.946 0 40 IFAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12551808 SMGYZVGVTKEIRG-UHFFFAOYSA-N 448.907 2.812 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NC1CCCCCC1 12776113 BCWANUSOTRUAQM-UHFFFAOYSA-N 447.523 2.851 0 40 IFAB Cn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)nc2n(C)c1=O 12894117 UTLCMICUFSSZSG-UHFFFAOYSA-N 447.520 2.887 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 12997343 DDXZKGYCGDFIOS-GOSISDBHSA-N 443.569 2.926 0 40 IFAB CCc1cc2c(CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc(=O)oc2cc1O 13031765 ZALYENIFYLBCTC-UHFFFAOYSA-N 442.537 2.709 0 40 IFAB O=C(CN1CCN(C(=O)c2ccccc2Cl)CC1)NC(=O)NCCC1=CCCCC1 13115299 FAQXKUBCRAMIIB-UHFFFAOYSA-N 432.952 2.814 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 13532976 XONJYYJPLWOECV-UHFFFAOYSA-N 425.466 2.903 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccccc1Cn1cccn1 14899921 RFLNMXXZMUDDDL-UHFFFAOYSA-N 443.433 2.864 0 40 IFAB COc1cccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c1 15882589 DTTHDJLGSRZOLS-HSZRJFAPSA-N 430.508 2.945 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 16678229 QWRXEPMNZQUTRL-UHFFFAOYSA-N 445.585 2.719 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)c3ccncc3)C2)on1 19122207 MNOKRZNFMSIUIH-SFHVURJKSA-N 434.500 2.691 0 40 IFAB O=C(CN1CCOCC1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19294004 QZWXWPXYQAMPGS-UHFFFAOYSA-N 448.502 2.638 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3c[nH]nc3C(C)(C)C)cc2)[C@@H](C(=O)N(C)C)C1 19698765 NTJVZVBIHFWGJB-YADHBBJMSA-N 439.604 2.989 0 40 IFAB CC1CCN(c2nnc(SCCOc3ccc(S(N)(=O)=O)cc3)n2C2CC2)CC1 21700921 JPKSAMJKYOIPAE-UHFFFAOYSA-N 437.591 2.668 0 40 IFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(N2CCOCC2)cc1 23297098 UOLUPKYUCCMVCA-UHFFFAOYSA-N 443.301 2.634 0 40 IFAB O=C(/C=C/c1ccccc1OC(F)F)N1CCN(c2nnnn2-c2ccccc2)CC1 24778150 AXRRQCJXWAMLNB-ZHACJKMWSA-N 426.427 2.626 0 40 IFAB O=C(OCc1nc(-c2cccs2)no1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 24842408 XEFKLDAWLRIXLC-UHFFFAOYSA-N 448.507 2.767 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 24928944 VNABSSUUKSULJA-UHFFFAOYSA-N 437.521 2.956 0 40 IFAB C[C@H]1Cc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2N1S(C)(=O)=O 25767334 PUOADDQVKODOFU-AIADIJKESA-N 439.581 2.868 0 40 IFAB COC(=O)c1cn(CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c2ccccc12 32835951 FWSQFMCONINJRV-UHFFFAOYSA-N 431.374 2.806 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Br)c2)cc1OC 33617761 HVXHKIKFXGPYFW-LLVKDONJSA-N 443.319 2.772 0 40 IFAB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 35201447 NDLHOWYKBURKCP-SXGWCWSVSA-N 435.458 2.661 0 40 IFAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC(=O)NC2CC2)CC1 35325145 PFCATJSVSDRWJD-UHFFFAOYSA-N 443.551 2.884 0 40 IFAB CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1OCc1cc(=O)n2oc(C)cc2n1 35378691 XLGLKGRWSHUYOA-UHFFFAOYSA-N 433.486 2.707 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 59589080 CLMDDVLKPJOZKG-IEBWSBKVSA-N 434.562 2.786 0 40 IFAB Nc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)c(-n2cnnc2)c1 70461835 REHUTNIVKDRSDN-UHFFFAOYSA-N 427.306 2.574 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)NCCn3ccc4c(OC)cccc43)cc2C1=O 71282650 CTBNMAYMGBBOEH-UHFFFAOYSA-N 435.480 2.712 0 40 IFAB Cc1cc(NC(=O)c2ccc(Cn3cccn3)cc2)ccc1NC(=O)CN1CCOCC1 72391486 LVDLFATUQOIOLY-UHFFFAOYSA-N 433.512 2.763 0 40 IFAB COc1cc(C(=O)N2CCC([C@H](NC(C)=O)c3nccs3)CC2)cc(OC)c1OC 72394639 NUYCGSARZWSXCL-SFHVURJKSA-N 433.530 2.899 0 40 IFAB CCN(CCC1CCN(Cc2nnc3n(C)c(=O)c4sccc4n23)CC1)CC1CC1 95458280 JHMBYNGPXDUQDC-UHFFFAOYSA-N 428.606 2.977 0 40 IFAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)Cc3ccc4c(c3)OCC4)ccc2NC1=O 96222239 FCHRCOCLHWADEH-SFHVURJKSA-N 425.510 2.606 0 40 IFAB biogenic Cc1cccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)c1 96241140 NQGBNUYUSBBWFA-IBGZPJMESA-N 434.583 2.790 0 40 IFAB CCc1ccc(N2C(=O)C[C@H](N(Cc3ccc(OC)cc3)C(=O)CCC(=O)O)C2=O)cc1 100749613 HCQAZPPCCBZZDY-FQEVSTJZSA-N 438.480 2.783 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)c1 101169269 FHFIIQBCRGZIQV-IRXDYDNUSA-N 431.424 2.619 0 40 IFAB CCOc1ccc(CCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219446887 PWKGAOZDBJCWLF-UHFFFAOYSA-N 430.526 2.759 0 40 IFAB COC(=O)c1cn(C(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c2ccccc12 222582011 XJHDKIWKPQYEQM-UHFFFAOYSA-N 446.481 2.552 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc3ccccc3c2)cc1 223644721 QGZVATGMXZDZPA-UHFFFAOYSA-N 428.510 2.664 0 40 IFAB CN1CCN(C(=O)c2ccnc(N3CCOCC3)c2)C[C@H](Cc2cccc3ncccc23)C1 257240367 HTCYRJYPSIYJPJ-HXUWFJFHSA-N 445.567 2.713 0 40 IFAB Cc1nonc1CN(C)C(=O)C[C@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 257317039 VICDVVBMWRPCOU-OAHLLOKOSA-N 442.495 2.613 0 40 IFAB COc1ccccc1[C@H]1CN(C(=O)c2ccccc2CN2CCOCC2)CCN1C(C)=O 257323166 WIZPCXUYAQLPFF-HSZRJFAPSA-N 437.540 2.573 0 40 IFAB CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCN2CCOCC2)cc1 585271000 CUBAYHCORYHCBZ-JOCHJYFZSA-N 444.572 2.668 0 40 IFAB Cc1sccc1C(=O)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@@H]2C1 1549161464 LGAOQWTWBHDUNA-KRWDZBQOSA-N 430.505 2.906 0 40 IFAB Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(Br)c4)CC3)nc2)cn1 1889217661 RUVDSKACRZXSPX-UHFFFAOYSA-N 443.305 2.718 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 1351066 RNFJTRLAZOJMMY-HNNXBMFYSA-N 426.535 2.867 0 40 IFAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3258635 CXZMQQHQJJLGIH-UHFFFAOYSA-N 437.543 2.680 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(C(=O)O)c1 8686703 RXPNMACCZHNGFE-UHFFFAOYSA-N 438.527 2.669 0 40 IFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCCNC(=O)c1cccnc1 8735672 XXSFPZQZYKVLAX-UHFFFAOYSA-N 431.448 2.584 0 40 IFAB COc1cc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc(OC)c1OC 9281786 KRZOQXQLPIRKLY-TXAFXTDUSA-N 427.507 2.956 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CC(=O)N1CCS[C@H]1c1ccccc1F 9413871 MLNWPNFLGJPVSV-UGKGYDQZSA-N 441.484 2.630 0 40 IFAB CCCn1c(SCC(=O)NC(=O)NCCCOCC)nc2cc(Cl)ccc2c1=O 9442759 MQMGAKMDEXXOQU-UHFFFAOYSA-N 440.953 2.804 0 40 IFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 9477411 KQEBRNATAABDSM-XNTDXEJSSA-N 426.947 2.647 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)ccc3OC)n2)cc1 9844745 OMHWSSDYVOWUDF-UHFFFAOYSA-N 443.525 2.605 0 40 IFAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)Nc1ccc2c(c1)OCO2 10255457 QALSSMZHHFUODO-OAHLLOKOSA-N 443.525 2.761 0 40 IFAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(Cl)cc1 10685040 BEBHSFWYVJMRQM-GFCCVEGCSA-N 435.889 2.539 0 40 IFAB COc1ccc(CNC(=O)c2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 11693236 GDLCZVFGUMOVSQ-UHFFFAOYSA-N 433.511 2.891 0 40 IFAB Cc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 13039480 JKANAZBNCFPTKE-UHFFFAOYSA-N 447.582 2.860 0 40 IFAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 13075436 PLMLFDNTFWGOJH-MRXNPFEDSA-N 446.525 2.663 0 40 IFAB COC(=O)CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1C 14250667 NJNLWFWOYXVCFC-KRWDZBQOSA-N 436.505 2.793 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 15098310 YXUPIGRJULTOSK-UHFFFAOYSA-N 443.569 2.703 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCC(F)(F)F)ccc21 15247937 PKGGYUDKFVPSTJ-UHFFFAOYSA-N 441.431 2.689 0 40 IFAB CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15446767 JEIUXPHXZUDNIV-IBGZPJMESA-N 445.907 2.957 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 15501641 INPKZPILRDHTDO-UHFFFAOYSA-N 446.525 2.917 0 40 IFAB COc1cccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)c1OC 19567667 QHIMXMOSCSMEAZ-GOSISDBHSA-N 429.517 2.980 0 40 IFAB CN1C[C@H](C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19587215 OVOAXMCOWGIYDN-HXOBKFHXSA-N 425.554 2.530 0 40 IFAB CCS(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)CC3)C1 19738923 FBPORNRGXGMHLR-QGZVFWFLSA-N 446.548 2.585 0 40 IFAB CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1 19739154 LZCSYHSEPWCPTG-HSZRJFAPSA-N 425.533 2.755 0 40 IFAB CCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CCN1CCOCC1 20101314 XMXDHMYXSCFGBC-UHFFFAOYSA-N 428.558 2.752 0 40 IFAB COc1ccc(CN2CCN(C(=O)CCC(=O)Nc3nnc(C(C)C)s3)CC2)cc1F 20461072 CLRFDGCRONTZDM-UHFFFAOYSA-N 449.552 2.872 0 40 IFAB CN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)n(-c2ccc(Cl)cc2)c(=O)n(C)c1=O 20756606 KIUQPFCYGGEVMJ-FQEVSTJZSA-N 436.899 2.954 0 40 IFAB biogenic O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23806026 QJSURWUFXJKXER-UHFFFAOYSA-N 443.887 2.711 0 40 IFAB C[C@@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nnc2n1CCCCC2 29255558 LCEAKJATVCRSED-CQSZACIVSA-N 440.573 2.922 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)c(C)c1C 39569223 GPDWINRQGGXZNC-MRXNPFEDSA-N 428.510 2.773 0 40 IFAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc21 40287684 YTMLUXWPEYOXGY-UHFFFAOYSA-N 425.455 2.956 0 40 IFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C1 48262952 GLXRWXJCENMNNO-MRXNPFEDSA-N 440.541 2.890 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1N1CCOCC1 48314639 UTVBFEULTSQCJP-UHFFFAOYSA-N 441.347 2.773 0 40 IFAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 48332312 PRWRFLBUESKUDM-UHFFFAOYSA-N 428.432 2.577 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@H]1CCC[C@H](C)[C@H]1C 48354777 VLNGPEQLJOGPIG-LZWOXQAQSA-N 438.956 2.869 0 40 IFAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 61972542 QXIJFGKTDKNYRQ-RMKNXTFCSA-N 425.573 2.960 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 62164003 UBJGKSGDCQIBOY-KRWDZBQOSA-N 434.500 2.921 0 40 IFAB O=C(c1cccs1)N1CCc2nc(C3CCN(Cc4ccncc4)CC3)[nH]c(=O)c2C1 72398985 VNCXHIWPWXJSRB-UHFFFAOYSA-N 435.553 2.805 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(OC4CCC4)c3)CC2)cc1C 89643261 NPGGQPFQDNWVMM-UHFFFAOYSA-N 429.542 2.776 0 40 IFAB CCN(C(C)=O)c1nc(CN2CCN(Cc3nc(-c4cccs4)no3)CC2)cs1 89977096 OOMYVFSLPBOAAB-UHFFFAOYSA-N 432.575 2.945 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)c1 108926123 CHYVREUCMADQBC-UHFFFAOYSA-N 439.493 2.912 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)C2=O 110539595 FYBNOXKYJXCUMG-GGOJBBCOSA-N 429.517 2.772 0 40 IFAB NC(=O)C1CCN(C(=O)COCC(=O)Nc2ccc(OCCC3CCCCC3)cc2)CC1 199404388 VOJGUFSUFDNWJS-UHFFFAOYSA-N 445.560 2.715 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 219250977 MQIWVAUQJRMFDU-UHFFFAOYSA-N 440.525 2.595 0 40 IFAB O=C(c1ccc2nsnc2c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544487 VYQGBAZEULQYDK-UHFFFAOYSA-N 438.488 2.799 0 40 IFAB CN(C[C@]1(O)CCCN(c2nccn3cccc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257281002 ONGVIOVONCSHGS-HSZRJFAPSA-N 428.533 2.549 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)c4ccsc4)C3)nn2c(O)c1CCC(=O)NC(C)C 257284581 PDGCEOBBTZIMEK-OAHLLOKOSA-N 441.557 2.892 0 40 IFAB CN([C@H](C(=O)NCc1nc(-c2ccccc2Cl)no1)c1ccccc1)S(C)(=O)=O 260761017 DLABWRJZUYJQDX-KRWDZBQOSA-N 434.905 2.639 0 40 IFAB O=C(c1ccco1)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306136174 PLNGMTNFHWAWMN-QFIPXVFZSA-N 439.493 2.543 0 40 IFAB C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)Cc1ccc2c(c1)CCCO2 585097041 FCWHXVZFDCGGPG-KRWDZBQOSA-N 448.523 2.806 0 40 IFAB COCCN1C[C@H](O)C(C)(C)COCCC[C@H]2CN(Cc3ccc[nH]3)CC[C@H]2CC1=O 1534609679 BFNRQTWXTQPAMT-ONTIZHBOSA-N 435.609 2.515 0 40 IFAB COc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 1325532 PYOJKLPZMPBSRC-UHFFFAOYSA-N 438.571 2.785 0 40 IFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 2651657 VEYANGCLRUWTEQ-LLVKDONJSA-N 427.288 2.938 0 40 IFAB Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCN(c2ncccn2)CC1 3350758 BGFQVUSHCLOMPH-UHFFFAOYSA-N 425.714 2.929 0 40 IFAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1cc2ccccc2oc1=O 8661863 HUYQWSCAQBJZAK-UHFFFAOYSA-N 439.424 2.799 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8816422 HGCKCNTVZSKLCE-MRXNPFEDSA-N 445.516 2.992 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)COc1ccc(C(=O)c3ccccc3)cc1)C2=O 9609317 YZAPESUCTWTGEQ-UHFFFAOYSA-N 435.480 2.828 0 40 IFAB O=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc3c2N1CC3 9708731 BTMQVXQSSOICDP-UHFFFAOYSA-N 431.945 2.686 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCCc3ccccc3)cs2)cc1 9828638 YDPJHSIOYWZHIN-UHFFFAOYSA-N 431.539 2.854 0 40 IFAB COc1ccc(OC)c([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)c1 10233193 BLNTZTVEQARMEB-NRFANRHFSA-N 438.480 2.926 0 40 IFAB Cc1cc(C(=O)NCc2ccccc2Cn2cccn2)cc(S(=O)(=O)N(C)C)c1C 10235095 CNRPVRDUXPRJEI-UHFFFAOYSA-N 426.542 2.729 0 40 IFAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c(OC)c1 10907712 MVUVACZHHSWNTF-INIZCTEOSA-N 426.473 2.926 0 40 IFAB CCc1nc(NC(=O)CN2CC[C@]3(CCC2=O)CNC(=O)c2ccccc2O3)sc1C 12086626 ODAGUPRYRJKLLS-JOCHJYFZSA-N 442.541 2.526 0 40 IFAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)c1 12109604 WMKIQJNNEMXLOK-FQEVSTJZSA-N 429.542 2.829 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1)Nc1ccc(F)cc1 12757758 XTDIISFTCWYJKT-UHFFFAOYSA-N 440.397 2.558 0 40 IFAB COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)on2)cc1 12857874 YAUCUUMSHJDLRZ-UHFFFAOYSA-N 443.525 2.865 0 40 IFAB Cc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 13040960 TXXFHQYSOGTGCK-UHFFFAOYSA-N 441.597 2.891 0 40 IFAB COc1cc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)ccc1OC(F)F 13042517 WGBKQMANWMVZMP-UHFFFAOYSA-N 440.374 2.690 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 13109548 RUXZJOVKTLIGTK-ZIAGYGMSSA-N 426.344 2.878 0 40 IFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 14171351 HQCBMQJCWVRIGK-MRXNPFEDSA-N 425.485 2.910 0 40 IFAB COc1ccc(-c2nn3c(SCC(=O)Nc4ccccc4F)nnc3nc2O)cc1 15882034 TZADAQFXAFABTI-UHFFFAOYSA-N 426.433 2.770 0 40 IFAB O=C(CN1CCC(C(=O)N2CCOCC2)CC1)Nc1c(Cl)cccc1C(F)(F)F 16340119 FXUBFOWFPUNOGS-UHFFFAOYSA-N 433.858 2.868 0 40 IFAB Cc1cc(=O)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)nn1-c1ccc(Cl)cc1 18030485 VYINIJAJRIANBD-UHFFFAOYSA-N 437.839 2.647 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 19449059 WXLWHLMPAUYEPH-YADARESESA-N 439.581 2.980 0 40 IFAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cc1ccc2c(c1)OCCO2 19583459 ADOMMOXTBNIDJS-UHFFFAOYSA-N 438.503 2.881 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2ncccc2C(=O)NCc2ccccc2)c1 19699010 KXZKLCGEAJSRQL-LJQANCHMSA-N 439.541 2.661 0 40 IFAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)CN1CCCC[C@H]1C)C2 19701079 BHWIDXPIKYQXEF-MRXNPFEDSA-N 437.544 2.684 0 40 IFAB Cn1cc(C(=O)N2CCC[C@@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)ccc1=O 19743288 GHFYLZUEOFKOHY-QGZVFWFLSA-N 440.507 2.993 0 40 IFAB COc1ccc(OC)c(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)c1 19944413 VWLQAPAHUFVAFM-UHFFFAOYSA-N 435.532 2.532 0 40 IFAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20519195 TYLRUVIEZBZHEU-KGWSRGFLSA-N 433.961 2.756 0 40 IFAB COc1cccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 20716532 JDSGAZUCTVTHCF-HNNXBMFYSA-N 449.429 2.613 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 21110008 AMNJYTJWLTXVCJ-CQSZACIVSA-N 440.452 2.584 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCN1C(=O)NC(C)(C)C1=O 21914600 DPCYMEADGABYIV-UHFFFAOYSA-N 429.304 2.501 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)cc1OC 22495237 IZWAZEZFYQZNSV-DEOSSOPVSA-N 439.512 2.911 0 40 IFAB COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 22517209 OZOGLQYNZVRWRW-UHFFFAOYSA-N 430.570 2.986 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl 24985629 DMDPKWGVWFHMSZ-BMIGLBTASA-N 433.313 2.694 0 40 IFAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c(C)c1 24992729 OZSBVHXKVRVSKN-CQSZACIVSA-N 436.559 2.778 0 40 IFAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 25106472 GITRDNKLEITCFL-QGZVFWFLSA-N 432.542 2.858 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccncc4)oc3=S)CC2)cc1 25435738 MZYRIBBRNGSKLH-UHFFFAOYSA-N 431.543 2.540 0 40 IFAB COc1ccc2nc(NC(=O)c3nn([C@@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2c1 27985848 WLEYSNSDPWJZES-GFCCVEGCSA-N 446.554 2.992 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 30852930 WDVIQAIKUVFVQZ-HNNXBMFYSA-N 430.505 2.791 0 40 IFAB CCOc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 39996300 NWPGTCFWKGULJL-CYBMUJFWSA-N 429.404 2.612 0 40 IFAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 40146794 SGACVXOFSUNKNR-IBGZPJMESA-N 431.964 2.957 0 40 IFAB Cc1ccc(O)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 40152681 CLEXJQNDKARAAC-UHFFFAOYSA-N 448.526 2.709 0 40 IFAB COC(=O)[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(C)C 62001388 ZUFBDLDVHVDDQX-FQEVSTJZSA-N 431.485 2.898 0 40 IFAB biogenic CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3C(=O)OC)c(=O)c2C1 62007128 KHTGVIJQYHBWBR-UHFFFAOYSA-N 446.507 2.714 0 40 IFAB CC(C)(O)CCSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 72307087 RFJXXMBJYHHNEG-UHFFFAOYSA-N 435.615 2.841 0 40 IFAB Cc1cc(-c2cc3nc4c(c(NC[C@@H](O)CN5CCOCC5)n3n2)CCCC4)c(C)o1 72337451 LWMZJABUNNCAAS-QGZVFWFLSA-N 425.533 2.590 0 40 IFAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 96011736 BGSKLVSNAOEQGL-DNVJHFABSA-N 427.589 2.688 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 218790750 CLOZLINQTORLIV-OAQYLSRUSA-N 432.542 2.751 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222584064 WKQVVRPXIVZTOP-UHFFFAOYSA-N 448.497 2.673 0 40 IFAB COc1ccc(N(CCCC(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1 222605317 WOSYLOFVFHUHTH-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 260408741 LBOCQEZAMQFTGK-ROUUACIJSA-N 427.636 2.920 0 40 IFAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 408595679 RAULEIFOJJCLOV-UHFFFAOYSA-N 430.574 2.971 0 40 IFAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 408713681 LIYWQVPVWVGEJE-MRXNPFEDSA-N 436.505 2.560 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1C 409410544 NUZWQKWAGGQBKL-GOSISDBHSA-N 433.549 2.946 0 40 IFAB CSCc1cccc(NC(=O)C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1 561608919 ZJLLBOBWWTZYHR-OAQYLSRUSA-N 427.570 2.761 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618272 UOZJABIWCLAYEC-VQIMIIECSA-N 434.471 2.752 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2CCCc1ccccc1 662964 QMLWXZSDYFGNGF-UHFFFAOYSA-N 449.536 2.787 0 40 IFAB O=C1N[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 1295778 BODOZRWTHTUGOG-WOSRLPQWSA-N 444.207 2.948 0 40 IFAB CCN(CC)C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 3258151 TVVVFLZOIJFLQZ-UHFFFAOYSA-N 433.530 2.717 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3598083 XXUMRTPVULVBIJ-FQEVSTJZSA-N 428.444 2.939 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(Cc2ccccc2)n1C 9119693 XBYWNCVAOLSSSQ-UHFFFAOYSA-N 432.527 2.915 0 40 IFAB CCn1c(CSc2nc3nc(C)cc(C)n3n2)nc2cc(S(=O)(=O)N(C)C)ccc21 9120722 QIAALURXGRORKA-UHFFFAOYSA-N 445.574 2.653 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)ccc1Cl 9170957 RUQHGDOLIPPTPV-UHFFFAOYSA-N 434.909 2.599 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C 9263593 YGTPEWYSIDQUQB-LLVKDONJSA-N 432.531 2.581 0 40 IFAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)cc1OC 9366149 INGVJXNQIYZTEL-UHFFFAOYSA-N 437.528 2.995 0 40 IFAB CCCCN(C(=O)CN1c2ccccc2CC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9461414 LQZJSCWYBUHZTH-QGZVFWFLSA-N 441.576 2.749 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccccc1 9464452 LKDYZDPDVGMNPI-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB Cc1ccccc1-c1nc(SCC(=O)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 9517494 JRHBGDKJVVEUES-UHFFFAOYSA-N 432.505 2.978 0 40 IFAB Cc1ccccc1-n1ncc2c(O)nc(SCC(=O)NCc3ccc4c(c3)OCO4)nc21 9522209 JBKQICPSDQBGPZ-UHFFFAOYSA-N 449.492 2.967 0 40 IFAB Cc1nc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1 9633592 PIKBTCTUEVZTBQ-UHFFFAOYSA-N 443.550 2.934 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 9671555 MBWWLLMDKNSAOJ-QGZVFWFLSA-N 429.542 2.775 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9671653 QKAYYEICUHWGIM-CQSZACIVSA-N 441.534 2.847 0 40 IFAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccc2c(c1)OCCO2 9716498 SBYGUVSSYPHHEC-UHFFFAOYSA-N 434.448 2.991 0 40 IFAB C[C@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 9862119 ULXVDMVWTPQFOV-KBPBESRZSA-N 448.570 2.508 0 40 IFAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)C(=O)NC2=S)cc1 10130152 HQOVYXJUNQOZNO-SFQUDFHCSA-N 437.477 2.828 0 40 IFAB O=C(c1ccc(Br)o1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697961 DEGBGHJGQPVQLG-UHFFFAOYSA-N 429.278 2.933 0 40 IFAB O=C1CN(C2CCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 12000219 HRWHBUXJMLSVBR-IRXDYDNUSA-N 427.364 2.596 0 40 IFAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1 12550383 DSUVQEZBQWLUSA-UHFFFAOYSA-N 438.915 2.938 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13056453 UKJJASCVMDWAIL-QAPCUYQASA-N 447.523 2.707 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nn1cnc2scc(-c3cccs3)c2c1=O 13113236 ATUBUBMWXMQGBR-UHFFFAOYSA-N 435.490 2.736 0 40 IFAB COc1cc(NC(=O)[C@H]2CCCN(c3nc(Cl)nc4[nH]cnc34)C2)cc(OC)c1OC 13549229 UOOKJROQXBLCOU-NSHDSACASA-N 446.895 2.887 0 40 IFAB COc1ccc(-c2nc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)cs2)cc1 14363671 SIHNNYITEXNVLQ-UHFFFAOYSA-N 431.539 2.999 0 40 IFAB CS(=O)(=O)c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c(S(C)(=O)=O)c1 16311146 WEQRKRZLZXNTFS-QGZVFWFLSA-N 426.560 2.726 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cn2cncn2)C1 19449317 RXLXLXBZXDYOOB-RUZDIDTESA-N 431.540 2.931 0 40 IFAB COc1ccc(OCCCC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 19602585 PJSYCWSWTQBHAP-UHFFFAOYSA-N 429.492 2.776 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H]3NC(=O)CCC[C@H]32)n1 19711735 ZQRZOQYDAAOMNG-KSZLIROESA-N 448.445 2.581 0 40 IFAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)COc2c(C)cccc2C)cc(N(C)C)n1 19760299 FCMKAIIVXDIUGE-HXUWFJFHSA-N 439.560 2.880 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 20486857 SJXPUGZKMKVXOG-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB CCOC(=O)N1CCN(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)CC1 21372820 CDRWMFKOBDFDRL-INIZCTEOSA-N 439.512 2.817 0 40 IFAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc(C2CC2)nn1-c1ccccc1 23084536 KVGCAMKVQRXTLZ-UHFFFAOYSA-N 437.477 2.751 0 40 IFAB O=C(O)C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(CCOc2ccccc2)CC1 24835061 XTYZTBRWMJPFNC-FQEVSTJZSA-N 449.910 2.958 0 40 IFAB CCn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nc2ccsc2c1=O 27850797 JQRLVLZLBAYQNN-UHFFFAOYSA-N 428.583 2.914 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 32741650 PREGNVTUPSJDKU-QFIPXVFZSA-N 444.553 2.960 0 40 IFAB O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)N1CCN(c2ccccc2)CC1 33300959 ZSAMGXVMOIOQIP-UHFFFAOYSA-N 431.540 2.736 0 40 IFAB Cc1[nH]c(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c(C)c1C(=O)OC(C)C 40152041 ZZFWELMOPYOKQG-UHFFFAOYSA-N 427.549 2.664 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1ccccc1 57414403 FWPSTFFICYRFMH-HSZRJFAPSA-N 434.540 2.988 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C3CCCCC3)cc2c1 57642701 XZFNXBWSWXPNKU-UHFFFAOYSA-N 440.548 2.803 0 40 IFAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 58175540 FQXFIPOXEYCHCJ-UHFFFAOYSA-N 434.475 2.629 0 40 IFAB C[C@@H](CO)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2Br)CC1 79016386 PEVZOJZDZCOPIT-RYUDHWBXSA-N 449.187 2.537 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 101457553 HIRQDSRUPIDXSW-ASKNOMKYSA-N 434.279 2.893 0 40 IFAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1)N1CCOCC1 107986491 FBWFFHKMBBVHRB-GASCZTMLSA-N 445.566 2.927 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 108086680 YRJVLHNJQXKBDG-UHFFFAOYSA-N 432.542 2.729 0 40 IFAB O=S(=O)(c1ccc(CNC(=S)Nc2ccc3sncc3c2)cc1)N1CCOCC1 225214383 YFUCFINWZQZEEN-UHFFFAOYSA-N 448.595 2.804 0 40 IFAB CS(=O)(=O)N[C@@H](CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccc(F)cc1 225943870 LECLYPUNMXKXCL-FQEVSTJZSA-N 447.532 2.610 0 40 IFAB Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@@H](c4cccc(-c5ccc(N)nc5)n4)C3)c2c1 257252233 JUANMZGBJHMXJL-OAQYLSRUSA-N 445.479 2.542 0 40 IFAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CC4(CC(=O)O)CCCC4)C3)c2n1 257317746 VKYJDFGJBWZRHF-XMMPIXPASA-N 440.544 2.763 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@@H](C(=O)NCCc2ccccc2)O3)s1 306134740 NWYUNXBOIQHMIA-FQEVSTJZSA-N 441.597 2.721 0 40 IFAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C1=O 408590784 HVYRSLGHXGXHOC-OVCLIPMQSA-N 430.800 2.595 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c(Br)cc1O 409199155 BQHVVKAWXPOZKW-RZNTYIFUSA-N 443.319 2.972 0 40 IFAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cccc(Cl)c1 409377038 FMFBQEDBDAZLQE-OAHLLOKOSA-N 427.848 2.542 0 40 IFAB CCC[C@H](NC(=O)c1cc2c(nc1O)CCCC2=O)C(=O)N1CCc2sccc2C1 589135803 WZKSTDGUVKSZRA-KRWDZBQOSA-N 427.526 2.851 0 40 IFAB O=C(CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 604406176 XZALTYYBLGTSSQ-KSEOMHKRSA-N 438.572 2.536 0 40 IFAB biogenic CC1(C)COCCC[C@H]2CN(Cc3cncnc3)CC[C@H]2CC(=O)N(CC2CC2)C[C@@H]1O 1534609714 IUETXDQASQCVPD-VABKMULXSA-N 444.620 2.741 0 40 IFAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)cc1 932351 LGSNLEUGPJTOHB-UHFFFAOYSA-N 442.501 2.759 0 40 IFAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 1325736 HTYGOFQLNCZOCM-UHFFFAOYSA-N 434.583 2.771 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)n2N)cc1 2629545 ALUCUTJDMAWXSF-UHFFFAOYSA-N 435.412 2.720 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)c(F)c1 3392940 UDPVQMHROMDBCU-UHFFFAOYSA-N 438.452 2.935 0 40 IFAB C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4003864 PBEDSCNJJLEVCT-GOSISDBHSA-N 434.540 2.537 0 40 IFAB CN(C)c1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)cc1 8791420 MRQJWASRYOXKHJ-UHFFFAOYSA-N 446.554 2.636 0 40 IFAB COc1cccc(CNC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1 8974730 QIEGFTIZFWABKD-UHFFFAOYSA-N 438.484 2.921 0 40 IFAB CCOC(=O)C(CCCC[P@](=O)(O)CCc1ccccc1)(NC(C)=O)C(=O)OCC 9237166 HOONXBUILGFUDC-UHFFFAOYSA-N 441.461 2.671 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3nnc(C)s3)n2C)c(C)c1 9290088 BJENNADOOYFKCS-GFCCVEGCSA-N 445.574 2.892 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 9766392 ASISBFKKBDFAGM-AWEZNQCLSA-N 447.919 2.868 0 40 IFAB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 9862249 FAXHXMLIHPNYDF-WBVHZDCISA-N 433.603 2.958 0 40 IFAB O=C(CSc1ccc2c(c1)OCCO2)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 9883066 MRPHSFHEHHCKCX-INIZCTEOSA-N 425.572 2.898 0 40 IFAB Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)n([C@@H]2CCS(=O)(=O)C2)n1 10348435 VHBZHRNLVSIIFO-GFCCVEGCSA-N 434.465 2.696 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10860014 GJTJKMSTFTXYRZ-GFCCVEGCSA-N 431.445 2.514 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 11027418 GFHZAMHGQNPWGL-UHFFFAOYSA-N 445.475 2.562 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC(F)F)cc2)C1 11515836 IXGQICMOCGHYNY-OAHLLOKOSA-N 443.472 2.610 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C[C@H](C)NC(=O)c2ccccc2)c1 11748728 VINNWAPULDCPSE-HNNXBMFYSA-N 433.530 2.570 0 40 IFAB Cc1nnc(SCC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)s1 12086459 KHLFNNVUNGLQPM-QRWLVFNGSA-N 432.571 2.960 0 40 IFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)c12 12797931 IHVXTFJRSPWTEF-UHFFFAOYSA-N 432.527 2.617 0 40 IFAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCN(C)C)s1 13497070 BLPYYVXNEAPCOP-UHFFFAOYSA-N 445.632 2.832 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OC 13581453 QUMIEXSUTZDPST-UHFFFAOYSA-N 431.558 2.688 0 40 IFAB CCc1nnc(NC(=O)c2ccccc2NC(=O)CS(=O)(=O)Cc2ccccc2)s1 13838937 HEMDWECUTFWLLN-UHFFFAOYSA-N 444.538 2.906 0 40 IFAB COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 15514945 ASOADXGDGDWAAG-UHFFFAOYSA-N 446.569 2.780 0 40 IFAB O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 16033739 RDMNATBELOOMFB-SQKGIWRMSA-N 434.602 2.925 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 16692285 WCASKBQTROZQHC-UHFFFAOYSA-N 434.514 2.830 0 40 IFAB CCCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502857 YDOGIYSWCUBJRO-WOJBJXKFSA-N 439.581 2.933 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncccc3C(=O)N3CCOCC3)C2)cc1C 19709304 IQPTYIQXXJAWIW-IBGZPJMESA-N 443.569 2.739 0 40 IFAB Cc1nc([C@@H]2CCCCN2Cc2ccc(OCCN3CCCC3=O)cc2)ncc1C(N)=O 19764493 NGYXOLDQWUZTHP-NRFANRHFSA-N 437.544 2.612 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(-c3ccc(F)cc3)c1=O)NCC2 20114016 MDSNWTXZQLPKOY-GOSISDBHSA-N 429.473 2.992 0 40 IFAB biogenic CN(C)S(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1F 22517777 RDPFKCJLRSJIIW-UHFFFAOYSA-N 433.549 2.920 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 24834460 DTFGMCSKQBVACR-MRXNPFEDSA-N 445.541 2.717 0 40 IFAB COC(=O)C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 27364459 GBFIZXQHNVHELD-QFIPXVFZSA-N 425.529 2.931 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 32820708 VHZMRKBOVCRCCD-KDOFPFPSSA-N 436.505 2.873 0 40 IFAB CCCCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(OC)OC 32906894 YMQWBOSOFMEJFO-UHFFFAOYSA-N 428.580 2.707 0 40 IFAB CCN1CCN(Cc2ccccc2CNC(=O)c2cccc(NS(=O)(=O)CC)c2)CC1 32921828 ZYVBUYBDUUQHMZ-UHFFFAOYSA-N 444.601 2.516 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N3CCc4c([nH]c5ccc(OC)cc45)C3)C2=O)c(OC)c1 36370025 JPTJNPBUCICDGR-NRFANRHFSA-N 435.480 2.884 0 40 IFAB biogenic O=C(CNC(=O)Nc1ccccc1)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 40040484 DFSLPQYJQIOIHV-UHFFFAOYSA-N 426.786 2.839 0 40 IFAB COc1ccc([C@@H](CN2CCN(C)CC2)NC(=O)Nc2cc(OC)ccc2OC)cc1 58297945 UNEKBJMSFMJSAV-OAQYLSRUSA-N 428.533 2.823 0 40 IFAB CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nccnc21 64874404 LGZVUVOUNUPOAC-UHFFFAOYSA-N 449.898 2.856 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCC[C@@H]3C)CC1)O2 72328003 SKIPPXCMXRCLKX-LLJLJFOGSA-N 427.545 2.658 0 40 IFAB O=C(c1cccnc1)N1CCc2nc(C3CCN(C[C@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72398750 DTCDTXWWSPQMSX-SFHVURJKSA-N 433.556 2.899 0 40 IFAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-n3cc(Br)cn3)nc2)c1 72401701 RTHMEDNPPHSUGX-UHFFFAOYSA-N 436.291 2.654 0 40 IFAB COc1cccc([C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c2nccn2C)c1 95348606 KIIVTNBSNHCWPX-BPXKWBHBSA-N 431.558 2.833 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(Br)cc4)[C@H]3C2=O)cc1 100033061 XYFJKFDMRHZTCA-IAGOWNOFSA-N 442.273 2.689 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@H]3[C@@H]4C=C[C@]5(CN(C(C)C)C(=O)[C@H]35)O4)CC2)nc1C 100186205 PCNUZSSDYQQJGY-DWKCODDLSA-N 443.569 2.551 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H]4C=C[C@@H]([C@@H]32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]42)cc1 101042945 CIJNUGYMNLRZJV-OGDHSWOFSA-N 434.517 2.606 0 40 IFAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](O)CC(C)=C[C@H](OC(=O)c3ccc(O)cc3)[C@H]2[C@]1(O)C(C)C 105426732 KHLABRVSJLTKHQ-MTLWNHQCSA-N 432.513 2.974 0 40 IFAB biogenic,in-vitro COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220457616 WHICAWXBPDINQY-CQSZACIVSA-N 426.485 2.877 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccccc1C(C)C)CN2S(C)(=O)=O 223791543 IUIPCWBUWXAEBU-NRFANRHFSA-N 432.542 2.841 0 40 IFAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225709655 MCFRDMLBUZQAEL-UHFFFAOYSA-N 449.554 2.821 0 40 IFAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NC[C@@H]1CCCO1 225837797 TXXFLHIOPTZIRW-ZDUSSCGKSA-N 427.242 2.569 0 40 IFAB C1=CC[C@@H]([C@@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)CC1 226313231 KWRZLJDGRAGQCY-DENIHFKCSA-N 435.576 2.610 0 40 IFAB Cc1nc(CN2CC[C@@]3(CN(C(=O)N(C)C)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306132030 KVYASFZTGNRYCH-UTKZUKDTSA-N 430.578 2.729 0 40 IFAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccccc1 306142554 XCXKLHHFPLUQKK-RBUKOAKNSA-N 427.551 2.979 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)OC)c(Cl)c1 408528826 HFYAZDMHBVRZLX-UHFFFAOYSA-N 440.905 2.832 0 40 IFAB CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408610095 UWMGQAOKVPQOLL-MRXNPFEDSA-N 434.514 2.512 0 40 IFAB CCOc1ccccc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O 408626321 WLQTYCJDZVPSCR-UHFFFAOYSA-N 445.585 2.817 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408653750 FQXFQZATIOOACB-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C 409053501 KJAASSLKOGAXHZ-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 409387788 BMNFEFXNTWSSQF-UHFFFAOYSA-N 443.456 2.743 0 40 IFAB O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 540015618 DPGKSADQQRKOJI-TZBSWOFLSA-N 437.540 2.551 0 40 IFAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CCN([C@H]2CCSC2)CC1 553314302 FILGYBVEYANNPX-FQEVSTJZSA-N 437.569 2.700 0 40 IFAB CCC[C@@H](NC(=O)c1cc2c(nc1O)CCCC2=O)C(=O)N1CCc2sccc2C1 589135808 WZKSTDGUVKSZRA-QGZVFWFLSA-N 427.526 2.851 0 40 IFAB O=C(Cc1ccccc1F)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643557169 SXZSEEBKWZHNGO-VWLOTQADSA-N 440.515 2.887 0 40 IFAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(C)c(Cl)c4)C[C@@H]23)n1 1549160714 AYOWVGAIYLVAAC-QGZVFWFLSA-N 442.907 2.674 0 40 IFAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@@H](CNC(=O)/C=C/c1cccs1)OC2 1614940779 NENCAMJVVDNBTM-FVNWOWOISA-N 436.537 2.683 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@]3(CCCN(c4nccc(C)n4)C3)C2)c1 2056224815 XEHHCEMLMIDPQN-QFIPXVFZSA-N 446.573 2.874 0 40 IFAB C/C(NC1CCN(Cc2ccccc2)CC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 1292420 GZKHBDYXZKMDPO-RELWKKBWSA-N 432.524 2.793 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1ccccc1Cl 2218008 KADHZCPRMDDKGI-SUMWQHHRSA-N 430.888 2.857 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 2385251 JFCCDTSBNGSYKB-UHFFFAOYSA-N 434.481 2.811 0 40 IFAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCCCN(CC)CC)cc2c1 4132011 GQVWDSYCCJHBPM-UHFFFAOYSA-N 432.634 2.881 0 40 IFAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@@H](C)C(=O)C[C@@H]3C)c12 5249829 ZXPNTKNDRGETDK-KGLIPLIRSA-N 429.517 2.910 0 40 IFAB O=C(CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccc(Cl)cc1 8990812 RYEUGHGDJPEPCS-KRWDZBQOSA-N 443.887 2.833 0 40 IFAB O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9112890 YEEGLBSJSOXUPW-UNMCSNQZSA-N 429.538 2.927 0 40 IFAB COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)c1 9152089 XQHFPPOQNCEEFU-UHFFFAOYSA-N 430.511 2.631 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CSc2ncc(C(=O)OCC)c(N)n2)cc1 9184971 PAIIAZXRZSHODF-UHFFFAOYSA-N 432.502 2.923 0 40 IFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC[C@H]2COc3ccccc3O2)c2ccccc21 9518848 BBKKZJUGRXHKAO-KRWDZBQOSA-N 449.507 2.649 0 40 IFAB O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2cccc(O)c2)c1)N1CCOCC1 9562552 MEFFQQLLAJSKJP-UHFFFAOYSA-N 427.935 2.875 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 9665173 KAMCIDSLCBLAKN-NRFANRHFSA-N 449.410 2.711 0 40 IFAB CCCCn1c(N)c(N(C(=O)CN2CC[C@H]3CCCC[C@@H]3C2)C2CCCC2)c(=O)[nH]c1=O 9723400 TYCUCMYWALTASJ-QZTJIDSGSA-N 445.608 2.707 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Br)cc1Cl 9767562 QJBHXAYSZSZUJK-AWEZNQCLSA-N 429.723 2.703 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)CC1 10473975 XYAFOIXGQAIEFN-UHFFFAOYSA-N 429.542 2.866 0 40 IFAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21 11612434 HLCQXLZEYUANFF-UHFFFAOYSA-N 438.571 2.782 0 40 IFAB CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2cn(CC(=O)O)c4ccccc24)C3)CC1 12117826 MMSRXSJPRMPWPP-UHFFFAOYSA-N 435.528 2.604 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)CC2 12812174 DIYFPULMAZYAPB-UHFFFAOYSA-N 430.526 2.615 0 40 IFAB CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12821530 BCSGSGFHUYTDFL-OAQYLSRUSA-N 437.496 2.549 0 40 IFAB Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1C 13501948 GDAFHHKNNVGNRN-SFHVURJKSA-N 444.557 2.807 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCCC3)c3nnnn3c2c1 13513737 SHTFMVKRIXRIQD-HXUWFJFHSA-N 433.520 2.963 0 40 IFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 13793614 AHWLSUFRFUYNMD-ZFWWWQNUSA-N 441.550 2.762 0 40 IFAB Cc1nc(CN2CCN(C(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)cs1 14380735 BYTTZXZCOWATER-UHFFFAOYSA-N 430.549 2.787 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)CC1 14908150 OUGLTXLIHDBYKZ-UHFFFAOYSA-N 442.585 2.865 0 40 IFAB Cc1nc2cc(NC(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3C)ccc2o1 15596589 HCCQDULAJSLYJR-UHFFFAOYSA-N 441.513 2.845 0 40 IFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)c(C)c1 16047559 JZOUUMWGACPYSW-UHFFFAOYSA-N 431.452 2.609 0 40 IFAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)[nH]c2C(N)=O)cc1 19698839 DNIIPRXEMNPYSZ-QGZVFWFLSA-N 434.496 2.969 0 40 IFAB COc1ccc(CN2CCO[C@@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)cc1 19702659 KIILUBQLKXOLGS-LJQANCHMSA-N 441.553 2.943 0 40 IFAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CCN(C)C2 19708488 AXMAANNAYTWRSB-LJQANCHMSA-N 433.553 2.870 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccc(Cl)cc21 19934668 QQHISZBQUDNCNP-SFHVURJKSA-N 449.916 2.633 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@@H]3c1ccccc1F 20308402 FAIUXFOEEHBPEY-OAQYLSRUSA-N 438.455 2.818 0 40 IFAB CCOCCCNC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 22231832 MRHXWFKKLDBRPZ-UHFFFAOYSA-N 434.558 2.883 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 22329588 VLICBUKRCHADEN-UHFFFAOYSA-N 434.558 2.836 0 40 IFAB CC(C)Oc1cccc(CCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 22368057 JMFDFXQBEJNJHC-UHFFFAOYSA-N 448.541 2.718 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907325 JEPSNODYKJPTPN-HXUWFJFHSA-N 447.491 2.540 0 40 IFAB Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCN(C)CC2)o1 22938369 HJMCLFSENYHGPU-SFHVURJKSA-N 436.350 2.834 0 40 IFAB O=C1COc2ccc(C(=O)COC(=O)c3ccccc3I)cc2N1 25391274 UFJVBGUWVLGHNG-UHFFFAOYSA-N 437.189 2.662 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)COC(=O)c1cc(Cl)c2c(c1)OCCO2 27823759 AQLUKWWBXDFUOK-AWEZNQCLSA-N 433.844 2.566 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1 29424654 MXMKIXOABMVULZ-UHFFFAOYSA-N 436.291 2.980 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 31773809 ZYNWVQNEKTZXMF-RBUKOAKNSA-N 434.945 2.671 0 40 IFAB CN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)Cc1cccc(Cl)c1 32753434 KZQDWMXUYFIPAW-UHFFFAOYSA-N 438.981 2.727 0 40 IFAB O=C(CN1CCN(C(=O)COCc2nc3ccccc3s2)CC1)Nc1cccc(F)c1 36447659 UKXQTVSWELTYIO-UHFFFAOYSA-N 442.516 2.735 0 40 IFAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 43942839 YDBOREFSADEUHM-SOFGYWHQSA-N 425.485 2.603 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CCN(C)Cc2ccccn2)ncc1C(=O)N1CCCC1 72345434 LAMKRLPNIPQFBJ-OAQYLSRUSA-N 436.560 2.602 0 40 IFAB CC1(C)C=C(CC(=O)N2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)CC(C)(C)N1 72370864 VHRPOCWUKVWWNC-LJQANCHMSA-N 436.560 2.888 0 40 IFAB COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)CCC(=O)O)c1 79112467 BKLWUBHXBQIEDV-IBGZPJMESA-N 445.497 2.609 0 40 IFAB O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)NCC1(N2CCOCC2)CCCCC1 84367728 JXOCFVKRDRTFND-UHFFFAOYSA-N 449.039 2.609 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 89638962 LGRZHDPPBIVZMK-CQSZACIVSA-N 441.475 2.746 0 40 IFAB Cc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222673523 JXYHAGZJJUUUOZ-UHFFFAOYSA-N 448.541 2.508 0 40 IFAB COC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222675345 BLLATTZKOAVPDS-UHFFFAOYSA-N 426.441 2.936 0 40 IFAB CC(C)CSc1nnc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)s1 223313427 PTZZVCPBFNIXCZ-CQSZACIVSA-N 442.588 2.842 0 40 IFAB Cc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224416340 BRTLSAALKKKLAA-UHFFFAOYSA-N 432.542 2.744 0 40 IFAB Cc1nc2cc(NC(=O)CN3CC[C@@]4(CCCN4Cc4ccccc4)[C@@H](O)C3)ccc2n1C 257211039 BXHLSKTWURPMKA-AHWVRZQESA-N 447.583 2.922 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)COc3cc(C)nc4ccccc34)C2)nc2c1CN(C)CC2 257316785 VGZIQQHGBJDOIR-KRWDZBQOSA-N 446.555 2.758 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 260408752 LBOCQEZAMQFTGK-ZWKOTPCHSA-N 427.636 2.920 0 40 IFAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 260704184 ACTIBAYZJFQTEE-LJQANCHMSA-N 445.585 2.703 0 40 IFAB COc1ccc(CCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 408705989 SFMKUXMFKNVESC-UHFFFAOYSA-N 438.521 2.748 0 40 IFAB Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 408713365 VLBFVCCTLLIVPS-UHFFFAOYSA-N 435.933 2.688 0 40 IFAB CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCCC34CCN(C)CC4)cc(C(C)C)nc21 509648489 BHHYXXLHKGVGBF-UHFFFAOYSA-N 441.576 2.977 0 40 IFAB CSCC[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)n1c(O)nc2ccccc2c1=O 524733161 AGHSABVYKYKRHD-PMACEKPBSA-N 439.537 2.996 0 40 IFAB CCOc1ccc(CN2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cc1 643565002 BFZKLQRYPCUMAJ-FQEVSTJZSA-N 445.604 2.879 0 40 IFAB C[C@]1(C(=O)NCCc2ccc(I)cc2)Oc2ccccc2NC1=O 1541057501 QGYGZLUCYKXBBE-GOSISDBHSA-N 436.249 2.740 0 40 IFAB Cc1cc(C)n(-c2cc(OCC3CCN(c4cc(=O)n5ccccc5n4)CC3)ncn2)n1 1775970442 MZQDGMGNGQKNST-UHFFFAOYSA-N 431.500 2.582 0 40 IFAB COc1ccc(NC(=O)N2C[C@@H]3CN(c4cc(-n5nc(C)cc5C)ncn4)C[C@H]3C2)cc1 2086896904 WEDBGPNLWWMDNX-ROUUACIJSA-N 433.516 2.888 0 40 IFAB CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1 812608 XSBYVAQJKNIKNL-UHFFFAOYSA-N 440.529 2.593 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)cc2c1 880112 XTOIOLGDPSKFCI-OALUTQOASA-N 431.558 2.571 0 40 IFAB CC(C)C(=O)Nc1cccc(N2CCN(CCCN3C(=O)[C@H]4CCCCN4C3=O)CC2)c1 4396454 IKCQRAAEOYJOJX-OAQYLSRUSA-N 441.576 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 6410177 XFPJXHRQYSFZHI-UHFFFAOYSA-N 430.526 2.727 0 40 IFAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 8938612 GOXUCBHFCXXOGI-UHFFFAOYSA-N 443.635 2.627 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9119718 MVZMDRKMADEODX-HNNXBMFYSA-N 449.960 2.751 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)c1 9302510 JGBLAALTQWMLBR-LLVKDONJSA-N 432.531 2.581 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 9327345 HOMVOLFINOTHME-CQSZACIVSA-N 431.489 2.567 0 40 IFAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)N[C@H]1CCS(=O)(=O)C1 9398862 FCGSQOSSCYLUJK-INIZCTEOSA-N 442.468 2.501 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1Br 9464941 OQUHCQGXZLYZEW-UHFFFAOYSA-N 439.331 2.604 0 40 IFAB Cc1cc(C)n2nc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)nc2n1 9493142 RCCJTKXJNVVFIH-UHFFFAOYSA-N 428.518 2.558 0 40 IFAB Cc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nn2)cc1 10335890 FFHJJLMYWUYQKW-UHFFFAOYSA-N 440.525 2.511 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(C)c(C(C)=O)s3)CC2)cc1 10337668 NMUVXNDNJXFUKY-UHFFFAOYSA-N 437.543 2.702 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 10516093 PWYAREYCEULVQT-UHFFFAOYSA-N 440.543 2.833 0 40 IFAB O=C(OCCOc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 10792668 ZTXZBXKGXOBGNK-UHFFFAOYSA-N 443.880 2.736 0 40 IFAB COc1ccc(-c2nonc2NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1OC 11915118 AXJQFQDCRCHLRB-UHFFFAOYSA-N 437.387 2.691 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2nc(-c3cnccn3)nc(O)c2C1 12220476 ZPDNMFOHUANGOJ-UHFFFAOYSA-N 441.513 2.518 0 40 IFAB CCN(CC)CCN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]2(C)NC(=O)c2ccccc21 12231854 OOOXJHDYUVPSNZ-NVQXNPDNSA-N 434.584 2.996 0 40 IFAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCN(C(C)=O)CC2)cc1 12341950 ZUNLADDWKFNMBZ-GOSISDBHSA-N 429.546 2.711 0 40 IFAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 12371937 UZOQQYAEEPJMRW-QTMFMZSGSA-N 440.908 2.512 0 40 IFAB CCN1C(SCC(=O)Nc2ccc(OC)c(OC)c2)=NS(=O)(=O)c2ccccc21 12414843 HBQWMTZMRBQYSZ-UHFFFAOYSA-N 435.527 2.960 0 40 IFAB CCN(C(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O)C1CCCCC1 12530454 GCPBSTPEDAHSPU-UHFFFAOYSA-N 437.544 2.609 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N(C)C 12789518 PUPGVDNBZGRNTP-QGZVFWFLSA-N 446.525 2.694 0 40 IFAB C[C@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)NCc1ccco1 12865685 GCJLROKAPVQUCH-INIZCTEOSA-N 427.530 2.553 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 12913375 CQUGFPRHYGXHFD-UHFFFAOYSA-N 446.960 2.700 0 40 IFAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)NC3CCCCC3)c2cc1OC)CCS4 13568145 KFTDBPBSINHBIK-UHFFFAOYSA-N 442.541 2.923 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)c1 13848314 FWEIRCADNXQHLD-UHFFFAOYSA-N 438.513 2.512 0 40 IFAB Cc1cc(=O)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)nn1-c1ccccc1Cl 17264095 FWJXSQQBSUGONY-UHFFFAOYSA-N 437.839 2.647 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)on1 19122204 MNOKRZNFMSIUIH-GOSISDBHSA-N 434.500 2.691 0 40 IFAB Cc1ccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)cc1 19208559 LXTXZADMLWKEGQ-QHCPKHFHSA-N 444.597 2.724 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]c2=O)C1 19368807 ZNRMCWGMSPMDAO-OAQYLSRUSA-N 443.507 2.731 0 40 IFAB O=C(c1ccccn1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19399990 FKVFDMZFAUFBFZ-MRXNPFEDSA-N 435.553 2.805 0 40 IFAB CC(C)CN1Cc2cccc(C(=O)N3CCC4(CC3)NC(=O)c3cccnc3N4C)c2C1=O 19447212 WESWDZSXBTYTDB-UHFFFAOYSA-N 447.539 2.506 0 40 IFAB COc1cccc(CN2CCC[C@@H](N3C(=O)C4(CCN(CC(C)C)CC4)N=C3O)C2)c1 19699736 FBDXXVCLTIQKEL-HXUWFJFHSA-N 428.577 2.906 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 19819915 NZDVHQDBIOQXLJ-GFCCVEGCSA-N 430.896 2.776 0 40 IFAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20049662 VOBWEZFMBPZRQW-UHFFFAOYSA-N 436.961 2.865 0 40 IFAB CCc1nn2c(=O)cc(COC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)nc2s1 20981687 WCDVJJAOPVVWGE-UHFFFAOYSA-N 432.889 2.851 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3nc(-c4ccccc4)no3)C2)cc1 22255506 ZACFDOMDSSHVON-GOSISDBHSA-N 440.525 2.762 0 40 IFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 22539524 XWLKMVHXXUTVNL-QGZVFWFLSA-N 443.573 2.994 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(Cc2ccco2)Cc2ccco2)C1=O 24809601 HLQRRALGCKZXPR-QHCPKHFHSA-N 436.468 2.763 0 40 IFAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 24958378 TZIMGOWUJFXDHJ-CYBMUJFWSA-N 427.482 2.742 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 24986580 PIHPJVYIFVPDKT-GFCCVEGCSA-N 439.896 2.911 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1CCCN(c2cnccn2)C1 29782245 ZDPHCUPFQBRGMN-SFHVURJKSA-N 443.573 2.896 0 40 IFAB CCOC(=O)/C=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1CC(=O)c1ccccc1 33527811 BRFGZJFIMYJKBY-JFUXKBHTSA-N 427.909 2.619 0 40 IFAB CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)cc1 36719508 YLCQTVRZVARRAE-XARZLDAJSA-N 440.540 2.973 0 40 IFAB Cc1nn(C)c2ncc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc12 40040248 SHLGXSSBLVUNJB-UHFFFAOYSA-N 427.530 2.633 0 40 IFAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cnn(C(C)(C)C)c4)CC3)cccc2c1 48236760 DQXIEPYRMWANDR-UHFFFAOYSA-N 441.557 2.641 0 40 IFAB CCOC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCSCC1 49402274 DIYAKPWJCSIJHZ-UHFFFAOYSA-N 447.941 2.638 0 40 IFAB O=C(Nc1nc(CC(=O)N2CCC2)cs1)c1ccccc1I 71802093 CHGMBFUSGGEQJG-UHFFFAOYSA-N 427.267 2.775 0 40 IFAB CCOc1cc(CNc2cccnc2N2CCC(O)CC2)ccc1O[C@H](C)C(=O)N(C)C 95443034 SKKHLWGBKCKGNJ-QGZVFWFLSA-N 442.560 2.909 0 40 IFAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 95945061 YXSTVYQWUNNRNJ-AWEZNQCLSA-N 437.562 2.936 0 40 IFAB COCCOc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)cn1 96005573 IKTINIQLHGPZRO-KRWDZBQOSA-N 438.406 2.831 0 40 IFAB CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 100446778 XBGRXJILLRDHNG-XSLAGTTESA-N 433.457 2.634 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21)Nc1cc(F)ccc1F 101389920 ORAYJEGSYGRIIF-HOTGVXAUSA-N 437.765 2.689 0 40 IFAB COCCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 101683130 IHSODNXNGDQQKF-SQFISAMPSA-N 449.463 2.944 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC3CCCC3)cc2)C1 102424109 NDCFWRZCYCLZJX-IXDOHACOSA-N 436.574 2.957 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)cc2)CC1 222757620 ZDSFRMLOHPTYOB-UHFFFAOYSA-N 446.525 2.549 0 40 IFAB O=C(NCCOCc1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224219427 LBWZWKSVQRVHDV-UHFFFAOYSA-N 444.597 2.994 0 40 IFAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)c1C 225116905 CEGMMRSVTBJLCR-UHFFFAOYSA-N 439.461 2.688 0 40 IFAB CC(C)CSc1nnc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)s1 225381183 IZKNXPROSXRWCH-UHFFFAOYSA-N 447.583 2.677 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4=O)cc3)ccc21 225696926 IQZURCVNPYJGME-UHFFFAOYSA-N 445.566 2.684 0 40 IFAB COc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCCCO3)CCN1C(C)=O 257222498 DTNBXTHZSMJOSB-FQEVSTJZSA-N 439.512 2.700 0 40 IFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 408573778 OFIBJFWTIDCKTM-UHFFFAOYSA-N 426.542 2.660 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 409061514 DUSPEADIOIYLAD-PDGQHHTCSA-N 440.477 2.629 0 40 IFAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)CN1c1ccc2c(c1)OCCO2 533749879 IUPXJTBQCNEXPF-IEBWSBKVSA-N 446.507 2.852 0 40 IFAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN(C(=O)/C=C/c3csc(C)n3)C2)n1 585290895 HCSFTMSOGGZUCC-GJBLVYBDSA-N 427.559 3.564 0 40 IFAB C[C@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 1635824794 MVPDITDYPQTFMV-PSLXWICFSA-N 442.466 2.760 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@H](O)c3ccc(-c4cccs4)cc3)cc21 1775976618 CJAGQRFVPWRPHC-KRWDZBQOSA-N 430.507 2.872 0 40 IFAB O=C(c1ccc(N2CCCCC2)nn1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888890560 OLJXJDHMBXVBOP-KSFYIVLOSA-N 426.496 2.717 0 40 IFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)n1 2316175 MBVZGBJUMBTBFZ-YCRREMRBSA-N 438.465 2.966 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc32)C1=O 2619717 PRDHHTFXDFITPU-HXUWFJFHSA-N 428.286 2.805 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2nn(C)cc2Cl)sc2c1CCCC2 2741433 HWXJTUYVFSUGCY-UHFFFAOYSA-N 425.894 2.986 0 40 IFAB NC(=O)c1cc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc(C(N)=O)c1 3421740 GIHJUORZSBZYHS-UHFFFAOYSA-N 444.658 2.640 0 40 IFAB COc1ccc(CN(C)C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 3449111 WYLMCHRONSLIFP-UHFFFAOYSA-N 427.526 2.515 0 40 IFAB CCCCS(=O)(=O)N[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O 3875131 COKMIXFXJJXBQG-OAQYLSRUSA-N 440.606 2.951 0 40 IFAB in-vitro Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)n1 8593659 FTLDCSOQTAHNBM-UHFFFAOYSA-N 433.468 2.665 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H](C)NCCCN2CCOCC2)sc2c1CC[C@@H](C)C2 8709271 LTTHSDCYRHEPRZ-CVEARBPZSA-N 437.606 2.689 0 40 IFAB CN(CCCC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccc(F)cc1 8749124 FLMHMHVKGUUWJM-UHFFFAOYSA-N 433.505 2.992 0 40 IFAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 8809300 TWUYACBTYMQGRJ-UHFFFAOYSA-N 448.494 2.954 0 40 IFAB NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8928323 PZWUHFAYVLUBDC-OAHLLOKOSA-N 447.900 2.977 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 9259036 DNAKVIJXVVBZPU-OQLLNIDSSA-N 430.258 2.995 0 40 IFAB O=C([C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccc(F)cc2)CC1 9421613 WFMRHKBETAPRNR-AWEZNQCLSA-N 443.914 2.711 0 40 IFAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCNC(=O)C3)c2)cc1 9715543 DBGXSMXHIAVHJY-UHFFFAOYSA-N 429.542 2.710 0 40 IFAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1nc(-c2ccc(F)c(F)c2)cs1 10026952 MSQIWZKIFDKTID-NSHDSACASA-N 438.485 2.985 0 40 IFAB CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)sc2c1 10337307 AJXRIMFBBDFKEP-UHFFFAOYSA-N 433.530 2.730 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)c1 12228509 TUPFETFFTGDYQB-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB COc1ccc(OC[C@H](O)CN(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 12389527 YWOCTZSRUMJIJE-QZTJIDSGSA-N 439.961 2.778 0 40 IFAB O=C1CN(C(=O)CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc2N1 12597561 UWNCAXRQLCEASH-UHFFFAOYSA-N 442.541 2.649 0 40 IFAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)NC[C@@H]2OCCc3ccccc32)cc1Cl 12643684 LDFOQFAOXWEIPP-SLQAJWMNSA-N 434.945 2.766 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 12796694 RUMKYZYHJUCKBT-GOSISDBHSA-N 430.526 2.810 0 40 IFAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccccc1I 12898894 NAXZQADZKUQWJL-UHFFFAOYSA-N 426.254 2.939 0 40 IFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 12979991 CGHKCJCDQHRCDL-MHECFPHRSA-N 437.496 2.532 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3nc(C)sc3c2)cc1 13164162 KFCFPSYHFGTDRX-UHFFFAOYSA-N 432.527 2.870 0 40 IFAB CCc1nc(SCC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c2c3c(sc2n1)C[C@H](C)CC3 13510580 RIRARBQQLDZFDF-SECBINFHSA-N 445.570 2.794 0 40 IFAB COCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccoc1C 13512518 FGISIGZGZUJQQX-UHFFFAOYSA-N 441.557 2.934 0 40 IFAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14688341 JVVOCWWYACTMPQ-UHFFFAOYSA-N 436.549 2.793 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2c(O)c3c(n(CC(C)C)c2=O)CCCC3)n1 15990388 YBJHLTVEIBSAAQ-UHFFFAOYSA-N 433.530 2.903 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)c1 16188196 OZFFQUGVCOHSIL-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB CSCC[C@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 16645525 FSGHUAMCRVHBIP-HNNXBMFYSA-N 438.600 2.903 0 40 IFAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N 16756192 DSGKCSWVMXXEBG-UHFFFAOYSA-N 443.529 2.978 0 40 IFAB CCc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)no4)cnc32)cc1 16843397 SPKPTWMMAVQHRE-UHFFFAOYSA-N 429.440 2.647 0 40 IFAB Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)c1 19234720 HHXZYLBCOHDBIM-QHCPKHFHSA-N 443.551 2.938 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19235121 ZTZXLILHYFHHGO-QHCPKHFHSA-N 429.586 2.563 0 40 IFAB O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343584 YDYQKKWIYDHVAE-LJQANCHMSA-N 436.541 2.547 0 40 IFAB O=C(C1CCCC1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699458 KSZPKOIJMYYIJF-UHFFFAOYSA-N 438.572 2.754 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccccc1 19744395 CJBXXNHOAPTJGY-GOSISDBHSA-N 428.496 2.684 0 40 IFAB COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4cccc(OC)c4)n3)n2)cc1 20096231 WIBVGTUJNJSOHV-UHFFFAOYSA-N 433.424 2.616 0 40 IFAB COc1cc([C@H]2CC(O)=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCCc1ccccc1 20730776 LZRJMGLYQFJPJE-QGZVFWFLSA-N 435.480 2.838 0 40 IFAB Cc1ccc(N2CCN(C(=O)CCC3=NS(=O)(=O)c4ccccc4N3)CC2)c(C)c1 21880488 TYXWNOLKSWJCMR-UHFFFAOYSA-N 426.542 2.945 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCNCC3)[C@@H]2C)OCO4)cc(OC)c1OC 22034034 DBEFHKMWRWJVAF-DXHOUVOYSA-N 442.512 2.833 0 40 IFAB CSc1nc2nc(C)c(CC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(C)n2n1 24869856 RQMXXVGERGVAKG-INIZCTEOSA-N 438.557 2.883 0 40 IFAB COc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1OC 25338603 UTOYDSZHDCZNTD-UHFFFAOYSA-N 437.540 2.898 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1 25343202 IMEDOFLXTMCJSX-FQEVSTJZSA-N 429.524 2.831 0 40 IFAB Cc1ccc(Cc2cnc(NC(=O)CCn3cnc4c(cnn4C)c3=O)s2)cc1F 31956040 UYINTEMXKZISAG-UHFFFAOYSA-N 426.477 2.654 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 32889187 XNCTWAUSUWSCOR-JLTOFOAXSA-N 434.514 2.604 0 40 IFAB C[C@H]1CCCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 32931454 RHJPCVMXCZWSIB-IBGZPJMESA-N 441.597 2.895 0 40 IFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 32966752 FQKOVRNRIJDYHN-SFHVURJKSA-N 430.526 2.773 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCSCc1ccccc1C)O2 38853075 RQRPLMLWBBYIQQ-FQEVSTJZSA-N 434.583 2.880 0 40 IFAB O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCN(c2ccccc2F)CC1 49411184 SNUOZVMSIZDKDS-UHFFFAOYSA-N 435.507 2.754 0 40 IFAB O=C1CN(c2ccc(NC(=O)[C@]34CCC(=O)N3c3ccccc3S4)cc2Cl)CCN1 71795564 OGCSMXUQZVYCQB-OAQYLSRUSA-N 442.928 2.844 0 40 IFAB Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 72325271 RZZNXUDUDITMDE-VWLOTQADSA-N 445.523 2.678 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1nnn(-c3ccc(C(F)(F)F)cc3)n1)CC2 77100355 IFSPJXJZPCBVFU-UHFFFAOYSA-N 433.390 2.897 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2)c1cnccn1 77196320 JIBLQJGTTWQECZ-YRNVUSSQSA-N 427.511 2.544 0 40 IFAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)C1 78947319 HHVPGPGIUXPQEO-QPPBQGQZSA-N 444.597 2.685 0 40 IFAB Cc1cc(OC(C)C)ccc1NC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 79023616 AHHSCQYATGHWAT-UHFFFAOYSA-N 435.475 2.657 0 40 IFAB COc1ccc(CCc2nc(NC(=O)C3CCN(c4nc(C)cc(C)n4)CC3)n[nH]2)cc1 79495858 ZATZOLAHOAHODJ-UHFFFAOYSA-N 435.532 2.860 0 40 IFAB CCn1cc(NC(=O)C2CCN(C(=O)[C@]3(C)CCCN3C(=O)OC(C)(C)C)CC2)cn1 89306084 ZAYJXWRMCNLPNH-QFIPXVFZSA-N 433.553 2.870 0 40 IFAB O=C(NCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)c1ccc(Br)s1 95457366 AAJHHWXLJHUPGT-QWHCGFSZSA-N 427.295 2.714 0 40 IFAB O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(Cc2ccccc2Cl)CC1 96343950 DSRGFYMGBQISNR-KRWDZBQOSA-N 437.931 2.914 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NC1CCN(C(C)C)CC1)NC2=O 100182055 OPWLUVAEBFKVQG-MABITJRSSA-N 441.572 2.939 0 40 IFAB COC(=O)C1=NN(c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100935189 OJSVDQXXYFVJIC-RDJZCZTQSA-N 442.269 2.665 0 40 IFAB CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 102180300 JOLLQMKTBNRFLD-MELADBBJSA-N 428.938 2.898 0 40 IFAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)N2CCOCC2)C1 102340367 YISSZKJLHMMHPU-ZCHQSPEWSA-N 444.553 2.807 0 40 IFAB CCOC(=O)C1=C(CN(Cc2ccccc2)[C@H](CO)C2CC2)NC(=O)N[C@H]1c1ccco1 107536370 CHOYRQQNFAAZKE-KNQAVFIVSA-N 439.512 2.724 0 40 IFAB COc1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c(OC)cc1Cl 216284380 CXXZYDIKLKHCLP-UHFFFAOYSA-N 445.900 2.748 0 40 IFAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 223000383 YVYWFWXJKYSPKH-UHFFFAOYSA-N 441.531 2.615 0 40 IFAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)OCC)CC3)cc2)c1 223017067 KAFHFXIVYHBGGT-UHFFFAOYSA-N 446.525 2.840 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(CN2CCCCC2)cc1 224525966 JIQJQWCYNHPQIR-UHFFFAOYSA-N 441.553 2.524 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225208573 VOUCETBGHLFKFU-IBGZPJMESA-N 445.585 2.705 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 225619920 VDINJTSCICXNFC-OAHLLOKOSA-N 436.530 2.526 0 40 IFAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@H]1O 245228774 FKJUUKVGJGPQSF-FACDWMFESA-N 431.485 2.661 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257202511 AMELWWFURHWRLW-ALPYKNRCSA-N 447.535 2.875 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)Cn3[nH]c(C)c(C)c3=O)C2)ncc1C(=O)Nc1ccccc1 257257780 KRARXUGZVOEOTP-SFHVURJKSA-N 448.527 2.550 0 40 IFAB CN(C[C@@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257269426 MPXGJGCADJJNBQ-DEOSSOPVSA-N 440.544 2.845 0 40 IFAB C[C@@]1(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CCS(=O)(=O)C1 257279243 OFSKHALOMNMLAG-JOCHJYFZSA-N 428.554 2.781 0 40 IFAB COc1cccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)c1 408617006 DQSLROYJINUAHM-UHFFFAOYSA-N 442.541 2.602 0 40 IFAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1ccncc1)CC2 643581699 RWDWMIBMEFFYSI-QFIPXVFZSA-N 444.620 2.902 0 40 IFAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N21 2111920 XBYFOTWCMIAKLK-GBXCKJPGSA-N 433.508 2.634 0 40 IFAB biogenic CC(=O)c1ccc(N2CN=c3s/c(=C\c4cccc(Br)c4)c(=O)n3C2)cc1 2343224 COBRGBWDQBFGQI-ZDLGFXPLSA-N 442.338 2.759 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1OC 3494224 MMOCEVYRMNTPTO-UHFFFAOYSA-N 443.481 2.934 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 5519911 RXEWNYZQGWEPRF-QRQLOZEOSA-N 425.547 2.821 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)c1 8611403 JAWOMPMUHFLZON-UHFFFAOYSA-N 425.576 2.918 0 40 IFAB CCOc1ccccc1CN1C(=O)[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 8843719 OBLPHFXFPBSWCN-JOCHJYFZSA-N 438.509 2.787 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 8854801 FFNOISLMCFDMHP-YWFITGJYSA-N 438.480 2.643 0 40 IFAB Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 8926221 OQNDAZJHALIGKX-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1OC 8952506 ADUXTQYONUYMTA-RCDICMHDSA-N 444.509 2.607 0 40 IFAB biogenic Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21 9000977 CULQIJDEIDRDPX-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB Cc1c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)c(=O)n(-c2ccccc2)n1C 9130448 VNPUWXFWTWHSHP-UHFFFAOYSA-N 435.871 2.936 0 40 IFAB CCCn1nc(C(=O)OCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c2ccccc2c1=O 9144628 RHRFLZMTPWGMHA-UHFFFAOYSA-N 439.468 2.968 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 9253698 OWOQGPCLSIRKEK-UHFFFAOYSA-N 439.497 2.618 0 40 IFAB CCOC(=O)c1sc2nc(C)nc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C 9508945 CMYAQORHDCQSCE-UHFFFAOYSA-N 434.543 2.787 0 40 IFAB COc1ccc(CNC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 9579765 YVASOUQSQPOMCH-HSZRJFAPSA-N 446.503 2.896 0 40 IFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc(N2CCCC2=O)cc1 9580483 CKHDWJCQYAHNAX-OAHLLOKOSA-N 433.559 2.987 0 40 IFAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)Nc1ccc(OCc2ccccc2)cc1 9949190 KFBFQZZUMHIKMM-OAQYLSRUSA-N 439.443 2.676 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697697 LFIMYOPHLIOTCT-UHFFFAOYSA-N 433.472 2.741 0 40 IFAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1C 11978276 KQFRZDSNNLHSHE-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB O=C1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12390218 PNSIDDPENYMVMV-NSHDSACASA-N 435.406 2.844 0 40 IFAB CC(C)(C)c1ccc(OCCNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 12694383 MMMFYYBQSPZSSH-UHFFFAOYSA-N 429.542 2.608 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 12855490 RVRPFCIZAQLDHU-XCLFUZPHSA-N 437.279 2.963 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13056457 UKJJASCVMDWAIL-CRAIPNDOSA-N 447.523 2.707 0 40 IFAB COC(=O)c1cc(OC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc(C(=O)OC)c1 13096972 QUIVBRBYMPZIHF-SNAWJCMRSA-N 428.393 2.658 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC3=CCCCC3)CC2)cc1OC 13114496 NGRCDNANBIJYQJ-UHFFFAOYSA-N 437.562 2.610 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4 13502572 GGZWGJJMZVHONA-UHFFFAOYSA-N 445.570 2.867 0 40 IFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)c(OC)c1 13574868 DUVZEEZHUVIKJD-UHFFFAOYSA-N 427.453 2.995 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 14227481 FAVAUQCEZJJXRW-UHFFFAOYSA-N 437.468 2.506 0 40 IFAB Nc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc3c(cc12)CCCCC3 15277079 KIVYFKCHEWYSAC-UHFFFAOYSA-N 444.582 2.767 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3NN=C(C(=O)C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 16034548 JFMIAKKZSCAQJI-JTHBVZDNSA-N 439.471 2.914 0 40 IFAB COC(=O)c1c2c(nc3c1c(-c1ccc(OC)cc1)nn3[C@H]1CCS(=O)(=O)C1)CCC2 16850674 AOGQNEHVGNYOPN-AWEZNQCLSA-N 441.509 2.742 0 40 IFAB CC(C)NC(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccnc(N2CCCC2)n1 19450076 NWAGDJBAQLHBTA-OALUTQOASA-N 437.544 2.546 0 40 IFAB COc1ccc(CN2C[C@@H](c3c(F)cccc3F)[C@@]3(COCCC(=O)N3)C2)c(OC)c1 19552514 POPBBNIILCZDMP-SBUREZEXSA-N 432.467 2.857 0 40 IFAB CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccccc3)oc1C)c(=O)n2C 19625619 FVFYELWSCMMKEQ-UHFFFAOYSA-N 434.452 2.592 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)Cc3ccccc3F)cc2)[C@@H](C(=O)N(C)C)C1 19699221 CANQSKHKXGCGDL-YADHBBJMSA-N 439.531 2.677 0 40 IFAB Cc1ncc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)c(C)n1 19741632 RICPBCCQHOKTBZ-SFHVURJKSA-N 434.544 2.901 0 40 IFAB Cc1cccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 19891136 XJSZPZODEYGCDW-UHFFFAOYSA-N 433.516 2.552 0 40 IFAB Cc1ccc(CSCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20245122 FWDXFNQAJMIQFH-UHFFFAOYSA-N 439.578 2.797 0 40 IFAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2cccnc2)cc1 22232526 UKTFGZFETJOAEM-UHFFFAOYSA-N 443.500 2.882 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22375520 XZLPUHLFBROCHJ-SFHVURJKSA-N 434.558 2.970 0 40 IFAB O=C(c1ccco1)N1CCN([C@@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22609754 LNBUDALEZPGFSM-INIZCTEOSA-N 427.461 2.776 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697754 YUWRULOLKGPFBG-JOCHJYFZSA-N 443.544 2.681 0 40 IFAB Cn1ncc2c(N3CCN(C(=O)c4cc5c(s4)-c4ccccc4OC5)CC3)ncnc21 23461363 BOZXFRBTGGMSHB-UHFFFAOYSA-N 432.509 2.947 0 40 IFAB Cc1ccccc1N(CC(=O)N(C)Cc1cnn(Cc2ccccc2)c1)S(C)(=O)=O 24226990 BLTSEFGXPQRISO-UHFFFAOYSA-N 426.542 2.664 0 40 IFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 25276521 GCENAAUSWSWATI-UHFFFAOYSA-N 429.477 2.713 0 40 IFAB Cc1ccc(N2N=C(C(=O)N3CCC(C(=O)c4ccc(C)cc4C)CC3)NCC2=O)cc1 25303212 HLGZRSZIHRYZCH-UHFFFAOYSA-N 432.524 2.983 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 25730701 KJHOKAOYVVCCLM-UHFFFAOYSA-N 446.960 2.780 0 40 IFAB COCCN(CCOC)c1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3 25748311 YGCGMRRMUYMMAG-MRXNPFEDSA-N 434.606 2.748 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@@H]3c3ccccc3)C2)s1 30030738 XDVVXMGOSHQEGQ-VQTJNVASSA-N 447.626 2.973 0 40 IFAB CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 40441889 ITYMTTQVNYAJAA-ZOQAIDMISA-N 448.531 2.857 0 40 IFAB COc1ccc(CCS(=O)(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 43960624 PZFASBFLHPQGLZ-CMDGGOBGSA-N 432.542 2.702 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(-n4cccn4)c3)CC2)s1 48250578 BLEQEKCXMDUZAL-UHFFFAOYSA-N 431.543 2.781 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c2cccnc12 48332812 JBPHTXMDRQSWIE-IBGZPJMESA-N 427.526 2.595 0 40 IFAB CN(C)C(=O)Cn1cc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nn1 48365684 DNYLOHTXKBGDHI-UHFFFAOYSA-N 439.328 2.973 0 40 IFAB COc1cccc(NC(=O)[C@H]2CC(O)=Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)c1 61717805 QJUGDSFGADEHPG-KRWDZBQOSA-N 434.452 2.502 0 40 IFAB O=C1CCc2cc(C(=O)COC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)ccc2N1 69923942 CDNOYJGXNOSCNY-GOSISDBHSA-N 438.455 2.989 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 69967702 AHIQYBQUBDRFTF-UHFFFAOYSA-N 430.574 2.755 0 40 IFAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)cc1 71327396 JJTLYVJIJINYQT-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB Cc1cc(OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1 72400319 ZKHYCOUAGHYZRV-KRWDZBQOSA-N 435.542 2.769 0 40 IFAB COC(=O)c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1 79020415 KEBXENXYKOLIEZ-UHFFFAOYSA-N 439.906 2.602 0 40 IFAB O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2)c1ccoc1 90582635 ZTAJANVTHSUDTD-HNNXBMFYSA-N 436.493 2.926 0 40 IFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc(Br)cs2)CC1 96120390 UURYGQJNWLBTDH-UHFFFAOYSA-N 429.365 2.953 0 40 IFAB COc1ccccc1NC(=O)/C=c1/s/c(=C\c2csc(-c3ccccc3)n2)c(=O)n1C 96765530 RSFHSAKXDPEWME-YOPWDWHSSA-N 449.557 2.827 0 40 IFAB C[C@]12CC[C@@H](C[C@@H]1C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C2)NC(=O)c2ccccc2N1 100117311 RGUXRXXMCULTIU-XYOOIOGLSA-N 446.555 2.503 0 40 IFAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 100148250 HWBBDXZXILTPHO-KSZLIROESA-N 428.558 2.672 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 100813929 KQCJXOWIFYILBM-QTGCHDBNSA-N 438.094 2.848 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1C[C@@H](C)O 206596779 JZNANDFHNHKZDA-GFCCVEGCSA-N 447.538 2.746 0 40 IFAB O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 225456711 XEYDOYTYFODLEU-UHFFFAOYSA-N 428.554 2.949 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)c1 225514887 PUKYOMBQTNIECC-SFHVURJKSA-N 440.525 2.762 0 40 IFAB CO[C@H]1CCN(c2ccc(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2)C1 245174042 YHSNRHSEURHWGO-FQEVSTJZSA-N 428.554 2.990 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)CC2)C1 257285002 PFFKRZUOMPFKPK-HSZRJFAPSA-N 441.616 2.960 0 40 IFAB CN(C)c1ncc(-c2ccnc(Cl)c2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257296721 RECKWEXFXKLKCU-MRXNPFEDSA-N 425.924 2.861 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(C(=O)c4ccoc4)C[C@@H]3c3cccnc3)C2=O)cc1 306145122 ZYUVGDLURJTJMS-RDGATRHJSA-N 447.491 2.721 0 40 IFAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCCn1ccnc1 408627518 NKXTWTSSOWGUAT-UHFFFAOYSA-N 432.933 2.938 0 40 IFAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670248 WZFHPDYEQXSHHD-UVPINQTDSA-N 444.915 2.962 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc2c(c1)OCO2 408702153 KDSRXIYQJYDCPV-UHFFFAOYSA-N 446.525 2.775 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1 409387515 ALEBUGWGHMPRGW-UHFFFAOYSA-N 441.509 2.976 0 40 IFAB CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 500154548 HCFBUHOBTSHFLU-UHFFFAOYSA-N 427.570 2.864 0 40 IFAB COc1cccc(C[C@@H](C(=O)NCc2ccc(Br)s2)n2nnnc2C)c1 515158951 YOIPLIQTFAYFIQ-HNNXBMFYSA-N 436.335 2.914 0 40 IFAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 524485407 MHSXWINXKXRLCN-UZLBHIALSA-N 447.539 2.786 0 40 IFAB COc1cnc(C(=O)N2CC[C@@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)nc1 1565554239 VIKHPZRCPRXERQ-XMMPIXPASA-N 431.496 2.578 0 40 IFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(OC(F)(F)F)cc2)nn1 1888897055 ZMNIOJKQFZLHDO-YIONKMFJSA-N 446.451 2.880 0 40 IFAB CC(=O)N1CCC(N2CC[C@@H]3[C@@H](CCCCc4ccccc4OCC(=O)N3C)C2)CC1 2037989070 TZACWEQTNIIIMW-JTHBVZDNSA-N 427.589 2.952 0 40 IFAB Cc1cc(NC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1Br 2658365 AQJSCOXPJUCONO-CXAGYDPISA-N 427.320 2.693 0 40 IFAB COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 3376772 ZBQRBJJRAJEUEZ-UHFFFAOYSA-N 442.537 2.646 0 40 IFAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCn1nnc2ccccc2c1=O 3490279 CMTDBJKJQYPOHG-OAQYLSRUSA-N 428.448 2.854 0 40 IFAB Cc1nc(-c2cccc(NC(=O)CNC(=O)C(=O)NCCc3cccs3)c2)cs1 8704869 YVAYSHUMWMWVOB-UHFFFAOYSA-N 428.539 2.594 0 40 IFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3nc(-c4ccccc4)no3)cc2O1 8764964 YGFWEWXMMJKHFO-UHFFFAOYSA-N 437.452 2.924 0 40 IFAB biogenic O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(N2CCOCC2)cc1 9120041 DNFTVNWFCHOBLW-UHFFFAOYSA-N 443.569 2.879 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(=O)OC)C1 9521532 BLRZTAGMEHHYQX-UHFFFAOYSA-N 446.481 2.959 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 9674680 XQPTWDUEAMYXSE-SJORKVTESA-N 442.273 2.689 0 40 IFAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccc(=O)n(Cc2ccccc2)n1 9812904 IAFSWYIYNIZFTI-UHFFFAOYSA-N 448.504 2.597 0 40 IFAB Nn1c(COc2ccccc2F)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 9963987 AWULMWJLOSSCQD-KRWDZBQOSA-N 427.505 2.996 0 40 IFAB CCOc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 11796629 VMMIVRBCVUFWDR-UHFFFAOYSA-N 445.585 2.666 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)CC1 12087555 CKFPJXOHKBMNHZ-UHFFFAOYSA-N 438.619 2.780 0 40 IFAB O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12521038 TXWXYPQMPAWFFE-UHFFFAOYSA-N 436.493 2.630 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1F 12526230 GPKZBGZLMSLPID-UHFFFAOYSA-N 433.505 2.677 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 12660581 YKOKHHRKTZZLGE-HDICACEKSA-N 436.574 2.913 0 40 IFAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12691840 OQUBRBVYYRWLJH-ZHACJKMWSA-N 427.551 2.984 0 40 IFAB COCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 12872414 KPZTUCJRCCNJQA-SFHVURJKSA-N 442.512 2.921 0 40 IFAB biogenic COc1ccc([C@@H]2C[C@H](c3ccc(OC)cc3)Nc3nc(NS(C)(=O)=O)nn32)cc1 13123311 DFFHLYOVNRJNQG-MSOLQXFVSA-N 429.502 2.813 0 40 IFAB O=C(CSc1nnc(Cc2ccccc2)o1)NCC(=O)Nc1ccc(F)c(F)c1F 13134041 URIBGNCOTCYBJL-UHFFFAOYSA-N 436.415 2.925 0 40 IFAB COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)NCCc1ccccc1 13581770 ACQGATVWLGYCIP-UHFFFAOYSA-N 425.510 2.541 0 40 IFAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 14200574 DAAZYDZNFQCUHP-LSDHHAIUSA-N 444.586 2.960 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccccc1C(F)(F)F 15047913 HFBSKZOYEYZMKF-IBGZPJMESA-N 449.429 2.770 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(C)cc1 15892527 BJMMMZONRWLNMU-UHFFFAOYSA-N 436.555 2.755 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 16638991 GAAFBQQCSYVNBW-UHFFFAOYSA-N 434.514 2.911 0 40 IFAB CS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 16974974 LCNWVRUCVNQWNA-UHFFFAOYSA-N 445.360 2.962 0 40 IFAB Cc1ncc(-c2ccccn2)c(CN(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)n1 19286984 MNLCGPCZLFVKDV-UHFFFAOYSA-N 441.538 2.581 0 40 IFAB Cn1c(=O)oc2cc(NC(=O)CN3C(=O)N4CCCN=C4c4ccc(Cl)cc43)ccc21 19289839 AMRFTLHOJADDPD-UHFFFAOYSA-N 439.859 2.816 0 40 IFAB COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1 19594093 GOCXGKDRGNUYOB-OAQYLSRUSA-N 442.951 2.893 0 40 IFAB COc1cccc(OC)c1/C=C/C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20033616 NBTWYNLFYDOVCX-OUKQBFOZSA-N 430.526 2.818 0 40 IFAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccc(OC)cc1 20048165 BWAXBNWFGWOYAC-OAQYLSRUSA-N 432.542 2.906 0 40 IFAB O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 20737034 VFTPEYFHIYEPED-MRXNPFEDSA-N 438.915 2.649 0 40 IFAB COc1ccccc1N1CCN(c2nnc(SCC(=O)NCc3ccco3)s2)CC1 23139922 OJSHLIPXEXDUGJ-UHFFFAOYSA-N 445.570 2.875 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 24767171 SGYVWDORGOHDAQ-UHFFFAOYSA-N 445.493 2.528 0 40 IFAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC(NC(=O)c2ccccc2)CC1 25826475 HEKYEUMFTHYCLP-OAQYLSRUSA-N 434.584 2.614 0 40 IFAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cccc(F)c1F 27437493 OHLWEUDWMSVPMO-JOCHJYFZSA-N 430.407 2.634 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)COc1ccc(F)cc1Br 28305546 NRVLDDJYQVYEND-LLVKDONJSA-N 445.310 2.834 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCCCCN2C(=O)c3ccccc3C2=O)C1=O 31329925 IGWLRPIBGBLONJ-INIZCTEOSA-N 436.464 2.810 0 40 IFAB CCCn1c(SCCn2nc3ccccn3c2=O)nc2sc3c(c2c1=O)CCC3 31841948 FKJUPZOUEARQGP-UHFFFAOYSA-N 427.555 2.958 0 40 IFAB Cc1ccc2c(c1)S[C@H](C(=O)OCc1cccc(S(=O)(=O)N3CCOCC3)c1)C2 32879593 XGEKROACWRICFL-FQEVSTJZSA-N 433.551 2.776 0 40 IFAB O=C(CS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccccc1I 32937284 SKPMKKYNFIIBOA-UHFFFAOYSA-N 437.205 2.982 0 40 IFAB CCOc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OCC(=O)Nc1ccc(F)cc1 33647878 DELSKUUKDNZPRT-UHFFFAOYSA-N 443.456 2.997 0 40 IFAB CNC(=O)Cc1ccccc1NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 36392386 RZFWKALHDWFOAR-UHFFFAOYSA-N 442.566 2.634 0 40 IFAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1OC)C(=O)OC 36597205 IMHMHQBFJNVXRB-XVSDVWIESA-N 430.505 2.672 0 40 IFAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1nc2c(s1)CCCC2 38488189 ASFRNOAWOSYLCP-UHFFFAOYSA-N 429.527 2.990 0 40 IFAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 44904260 DOHKKSULVOPDJT-AWEZNQCLSA-N 438.933 2.861 0 40 IFAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OC)cc1 44974256 PXXWJSUXPLRWAM-SFHVURJKSA-N 447.491 2.624 0 40 IFAB CCNC(=O)CSc1cnn(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1Cl 49401131 RJDWTSFMJIQTSW-UHFFFAOYSA-N 433.292 2.556 0 40 IFAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58167927 OOFROAOSUPSVCJ-NFBKMPQASA-N 433.556 2.635 0 40 IFAB CCC(CC)CN(CC(=O)OC)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 58209048 MCCYYAFPHBMJOC-XMMPIXPASA-N 443.544 2.813 0 40 IFAB C[C@@H](OC(=O)c1ccccc1Oc1cccnc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 60297984 LROLDBBCUMCKAU-CQSZACIVSA-N 441.465 2.705 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)CC1 68725518 UMPRFTLZDLDPJW-UHFFFAOYSA-N 441.475 2.572 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)CC1 79492933 OSRGKAGLVHEJLD-UHFFFAOYSA-N 430.486 2.824 0 40 IFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1 96143182 FXNNQGVGGYQOCH-JOCHJYFZSA-N 431.939 2.913 0 40 IFAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccccc3C)CC2)O1 96144879 WGWGAYTVMDQFIK-IBGZPJMESA-N 425.533 2.982 0 40 IFAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)Cc5ccccc5)C4)nn3c(O)c2C1 100234564 KINQUEJASPQKPQ-GOSISDBHSA-N 447.539 2.678 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223074776 CIVIPJSDWQWENQ-NRFANRHFSA-N 445.585 2.623 0 40 IFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 223618475 XMVCEGNAHWWKRK-UHFFFAOYSA-N 442.497 2.523 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 225809939 LHTUMHPUPHLMNC-HNNXBMFYSA-N 431.514 2.615 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 257202162 AKSVWSCHJCFCPY-ZEQRLZLVSA-N 437.584 2.972 0 40 IFAB CC(=O)N1CCN(C(=O)c2cc(C)nc(C3(C)CCN(C)CC3)n2)[C@@H](c2ccccc2)C1 257257597 KQIDUSOZQJZUEQ-JOCHJYFZSA-N 435.572 2.814 0 40 IFAB Nc1n[nH]c2nc([C@H]3CCCCN3C(=O)CCCS(=O)(=O)c3ccccc3)ccc12 257264860 LWGXUGNGUVTXQV-GOSISDBHSA-N 427.530 2.848 0 40 IFAB Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)CCN3C(=O)CCCC3=O)n2)nc1 257332701 XYHYFKLWDWMLSW-LJQANCHMSA-N 449.511 2.630 0 40 IFAB O=C(C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCCn1cccn1 524729618 AMGUTQLTSQFDOZ-INIZCTEOSA-N 447.447 2.762 0 40 IFAB biogenic COc1ccc(N2C[C@@H](C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 524732271 BGPFQDZGMFYZOP-YJBOKZPZSA-N 440.496 2.878 0 40 IFAB CN1c2ccc(F)cc2N(CCNC(=O)c2cc(Br)cs2)S1(=O)=O 575612110 KNCIDXQIQRXENZ-UHFFFAOYSA-N 434.312 2.581 0 40 IFAB Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(N4CCO[C@H](C)C4)nc3)s2)cc1 594942196 HIGLIBAKQJPVMR-MRXNPFEDSA-N 438.557 3.379 0 40 IFAB COc1cc(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)cc(Br)c1OC 608011711 XLRBXJFBRDBEBW-NRFANRHFSA-N 449.345 2.720 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1Cl 724077 WAAMUJQNJOUNNF-GANRHZMWSA-N 428.897 2.963 0 40 IFAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@H](CCC(=O)O)C(=O)O 1737607 KITDQPUUEZXMSZ-SCLBCKFNSA-N 439.420 2.662 0 40 IFAB biogenic COc1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cc(OC)c1OC 2370684 RMPGHZHIWAIGBB-UHFFFAOYSA-N 433.465 2.555 0 40 IFAB CCCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C(=O)OC)=C(N)O2 8670822 HGLIYONCBSFZTF-RUZDIDTESA-N 444.491 2.931 0 40 IFAB Cc1nc(S[C@H](C)C(=O)NCC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8769399 XXHLQCYVTSYMHL-CQSZACIVSA-N 447.605 2.632 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4CCc3ccccc3)n(C)c2=O)cc1 9292590 UBYCUEDIVNCPAT-UHFFFAOYSA-N 429.524 2.706 0 40 IFAB O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 9412769 JJWDRQCFQJVYQF-UHFFFAOYSA-N 448.336 2.654 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ncccc32)cc1 9660650 LAQMCDNZQWXMJU-UHFFFAOYSA-N 430.464 2.562 0 40 IFAB CC(C)CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 9691116 YKUCIOYZHCNIOP-GOSISDBHSA-N 448.614 2.909 0 40 IFAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 9867383 QXJWVNOYHBIIGV-MHECFPHRSA-N 437.496 2.533 0 40 IFAB CN(C(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1)C(c1ccccc1)c1ccccc1 9980788 MUBYQNPVZPSVMP-HSZRJFAPSA-N 435.568 2.805 0 40 IFAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 10884975 HBTTZNISDHTEFL-UHFFFAOYSA-N 449.555 2.735 0 40 IFAB CC[C@@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11498099 FSFKMMUBQJQQMN-NRFANRHFSA-N 433.549 2.617 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N(Cc1ccccc1)C(C)C 11906010 AZIZWVZZKDBVCJ-UHFFFAOYSA-N 436.555 2.661 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)c3cc(-c4cnn(C)c4)[nH]n3)CC1)O2 12087404 PJRYLDUUEAISJY-QFIPXVFZSA-N 435.484 2.705 0 40 IFAB O=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 12507929 ZIYJQXROUSOLCZ-UHFFFAOYSA-N 430.404 2.941 0 40 IFAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617601 DEVKYKDNJQZPHY-UHFFFAOYSA-N 438.431 2.613 0 40 IFAB COC(=O)Cn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O 12752062 AEMYORWDUJLVDP-NSHDSACASA-N 433.436 2.967 0 40 IFAB O=C(Nc1ccnn1Cc1ccccc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14245166 VOKNXOOPDXJBDS-GOSISDBHSA-N 449.536 2.731 0 40 IFAB COc1cccc(C(=O)Oc2coc(CSc3nnc(NC(C)=O)s3)cc2=O)c1 16047720 MXSJZBVKXNKJPO-UHFFFAOYSA-N 433.467 2.970 0 40 IFAB COCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 16050767 ZGNUJJMJMJKYCG-UHFFFAOYSA-N 431.539 2.587 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)C1=O 16201229 JSVGDHLJJGOYEG-GFCCVEGCSA-N 435.402 2.705 0 40 IFAB C[C@@H](C(=O)N1CC[C@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459030 WYUUSSLKNWGKSU-NQIIRXRSSA-N 443.551 2.843 0 40 IFAB CCOC(=O)[C@@]1(C)N[C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 20150880 GOVUQBBUCNXHLN-FSTVOOFJSA-N 428.510 2.837 0 40 IFAB Cc1n[nH]c(=O)c2c(NC(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)oc(C)c12 22016951 PUSJTTOLMXEWAB-UHFFFAOYSA-N 449.433 2.912 0 40 IFAB COc1cccc(N2CCN(C(=O)Cn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)c1 23125585 PMPGFFHGRQWOFK-UHFFFAOYSA-N 431.496 2.544 0 40 IFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1NS(=O)(=O)c1cccs1 23194749 LEVFUNRJSFRPEO-UHFFFAOYSA-N 440.506 2.898 0 40 IFAB CC(C)CNC(=O)CN1CCN(Cn2nc(/C=C/c3ccc(F)cc3)[nH]c2=S)CC1 23254275 MGRDEAFRAXHRIZ-VMPITWQZSA-N 432.569 2.597 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559523 PEABIENUDDRDDV-CQSZACIVSA-N 436.409 2.941 0 40 IFAB C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(N)nc(N(C)C)n1 24904220 YLRZTAFTXRJSFF-NEPJUHHUSA-N 431.545 2.716 0 40 IFAB COC(=O)c1cccc2c1CCCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 25193498 ICKWULNJFNAPTN-HNNXBMFYSA-N 448.566 2.915 0 40 IFAB Cc1nc(SCCC(=O)Nc2ccccc2F)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 32870893 HBOHWHDBCANOIR-UHFFFAOYSA-N 445.520 2.715 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1 40150874 LBTKXFLPSBFHNR-UHFFFAOYSA-N 437.543 2.620 0 40 IFAB C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 44847206 PAELHEOOTGCEQT-KXBFYZLASA-N 430.526 2.806 0 40 IFAB CC(=O)[C@H](C)n1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 57392150 VWKIXXLRTVYOGF-KRWDZBQOSA-N 445.523 2.776 0 40 IFAB CCCCc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)cc1 57520716 HPBKBUMJCJYOCP-UHFFFAOYSA-N 441.557 2.738 0 40 IFAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)n2N)cc1 58017860 XCZHREQKUYQYLX-FXAWDEMLSA-N 436.585 2.839 0 40 IFAB CC(C)[C@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCN(C)CC1 72281864 DPJOVLJXDKVDAV-IBGZPJMESA-N 438.601 2.998 0 40 IFAB CSc1cccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 72406115 UCAGHLIQEKQZGP-SFHVURJKSA-N 428.562 2.693 0 40 IFAB CN1CCC(N(C)c2ccccc2CNCCOc2ccc(S(C)(=O)=O)cc2)CC1 79073673 FXDVGKLERYWJSU-UHFFFAOYSA-N 431.602 2.789 0 40 IFAB CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 89661924 HPZSBYIAKJZZMZ-XHSDSOJGSA-N 428.938 2.899 0 40 IFAB O=C(NCCC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccc(F)cc1F 95348746 GGTQXDOOJGDGKW-UHFFFAOYSA-N 438.478 2.977 0 40 IFAB Cc1sc2nc(CN3CCN(C(=O)c4cnn(C(C)(C)C)c4)CC3)[nH]c(=O)c2c1C 95938995 KBTOCWJJJSLETQ-UHFFFAOYSA-N 428.562 2.511 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4ccoc4)CC3)O2)cc1 96036685 DEGXSQAABRRDTH-NRFANRHFSA-N 436.512 2.691 0 40 IFAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCc1cc(F)ccc1Br 97160136 UIDAWKUKBGOQFM-YCPHGPKFSA-N 430.343 2.930 0 40 IFAB Cc1ccc(=O)n(CC(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ccccc43)CC2)n1 100657988 GJINPPIOQLPXGC-IYBDPMFKSA-N 438.553 2.956 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222458439 OPVBHRYPKRENGS-LJQANCHMSA-N 445.585 2.541 0 40 IFAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224100873 UANHWDQLBZBBJN-OAHLLOKOSA-N 426.485 2.931 0 40 IFAB C[C@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1ccccc1F)S(C)(=O)=O 224794378 NLLGFTCQFLQVQY-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB CN(c1cccc(NC(=O)c2cccc(I)c2)c1)S(C)(=O)=O 224961953 BBHLMCHPAZYYMR-UHFFFAOYSA-N 430.267 2.939 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 225483035 WWZSZDKACMSADE-SFHVURJKSA-N 446.569 2.988 0 40 IFAB COc1ccccc1C1(CNC(=O)CCc2ccc(S(C)(=O)=O)cc2)CCOCC1 225616801 AZJIPEOJBQKOPY-UHFFFAOYSA-N 431.554 2.896 0 40 IFAB COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257284681 PDUHZXCCXRVILL-JCYRPKCISA-N 438.568 2.999 0 40 IFAB NC(=O)c1cnn2c([C@H]3CCCN(C(=O)c4ccnc(Cc5ccccc5)c4)C3)ccnc12 257320775 VYOYOERSHUTHAC-IBGZPJMESA-N 440.507 2.834 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccccn1 257334855 YHQRBQFPCVPFDB-NGSHPTGOSA-N 447.510 2.958 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668065 UTHDEBGEEMUFSE-KHDMTIDOSA-N 426.513 2.786 0 40 IFAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(-c4ccccc4)c3)C2)nc1 519997705 CUWJXYQVQDCLCN-KRWDZBQOSA-N 425.514 2.615 0 40 IFAB C[C@H](c1ccccc1)N1C[C@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585103227 ACLHURMQRXUDSG-DVECYGJZSA-N 442.581 2.902 0 40 IFAB Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccccc4C)CC3)CC[C@@H]2O)c1 585284729 ZKBGOPOVTZGJAR-AHWVRZQESA-N 440.584 2.511 0 40 IFAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1nnc([C@@H]2CCCO2)s1 1548349054 XRCKBUVYMPJFSK-INIZCTEOSA-N 428.514 2.923 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(Cc1ccnn1C)CC2 1549168658 XLRQKLXMKQLFQL-JOCHJYFZSA-N 435.572 2.635 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1cccs1 627442 NDOYKVUMWCNHDG-LYPXWFNGSA-N 440.546 2.868 0 40 IFAB O=C(O)CCN1C(=O)[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C1=O 2079035 OGYWZRYGIQECNN-BKVYSMKUSA-N 426.266 2.860 0 40 IFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8745917 ZYLPYCZWVODHJV-UHFFFAOYSA-N 438.450 2.609 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 9223604 XZVUDGIVDAHDPB-OAHLLOKOSA-N 431.489 2.602 0 40 IFAB COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 9408272 SGENEIQKBHNWDQ-OALUTQOASA-N 445.566 2.717 0 40 IFAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C[C@@H]1CCCO1 9416169 WYEFMORUOMHBCL-AWEZNQCLSA-N 433.925 2.637 0 40 IFAB CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)C2CCCC2)CC1 9644202 QSUCLMSROGGIMU-UHFFFAOYSA-N 436.622 2.988 0 40 IFAB O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9670349 TYGBZEFLXHHOHR-UHFFFAOYSA-N 427.551 2.932 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973184 YZMMFNIZONRWGU-GJZGRUSLSA-N 444.557 2.883 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)n4nc(C)c5ccccc5c4=O)C3)cc2n1 12134496 VLRZOSAPDTUOKH-IAGOWNOFSA-N 446.511 2.729 0 40 IFAB CN(CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)S(=O)(=O)/C=C/c1ccccc1 12548042 YGLRYHHBDDGEDX-NTCAYCPXSA-N 438.509 2.522 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1c(C)[nH]c2ccccc12 12568816 WQMSSPOZIGFSLU-UHFFFAOYSA-N 429.498 2.758 0 40 IFAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 12769503 PGEQZSNKYQMPIG-UHFFFAOYSA-N 442.459 2.578 0 40 IFAB Cn1ncc2c(=O)n(CCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc21 12872127 CIDJRKXOKFFTKR-GOSISDBHSA-N 425.539 2.817 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccn2C)cc1 12946522 LZGNDSKQOQEEHX-IBGZPJMESA-N 425.576 2.581 0 40 IFAB Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nn2)c(C)c1C 13009419 XIOJGBALTHCLAB-UHFFFAOYSA-N 446.964 2.752 0 40 IFAB O=C(NCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 13041447 PLYAWIFODMEBCD-UHFFFAOYSA-N 430.526 2.953 0 40 IFAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 13082928 CDISMAOYSDTUOO-QGZVFWFLSA-N 430.574 2.778 0 40 IFAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)on1 13226045 FNQRJEKRFXOWFR-CQSZACIVSA-N 438.513 2.712 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cccc3s2)CC1 13789176 YDRJNHVRWCGHOR-AWEZNQCLSA-N 441.550 2.619 0 40 IFAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CC=C(c2ccccc2)CC1 14198301 MDADVQFHDDOACB-JOCHJYFZSA-N 428.492 2.947 0 40 IFAB CCCn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nc2cc(Cl)ccc21 16662382 MLILYLHXLIGYJO-UHFFFAOYSA-N 433.921 2.842 0 40 IFAB COc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)c1 16960695 RVVBUJFIDGODLV-UHFFFAOYSA-N 444.373 2.643 0 40 IFAB C[C@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCO2 17134306 FONRJIHZFIQBQY-ZDUSSCGKSA-N 430.482 2.899 0 40 IFAB O=C(NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 18079455 SLRHZBXYSKJMMK-UHFFFAOYSA-N 444.816 2.972 0 40 IFAB CCn1nc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c2ccccc2c1=O 18948228 WUXFEOCCYRJQIY-UHFFFAOYSA-N 446.463 2.887 0 40 IFAB CNC(=O)NC(=O)[C@@H](OC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 23485303 VSCKWKYVJALGIT-UGSOOPFHSA-N 447.488 2.626 0 40 IFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 24761170 CHDDOQBFQAKASW-KBXCAEBGSA-N 443.978 2.517 0 40 IFAB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 27914331 BOKKAUZFGHVRDZ-UHFFFAOYSA-N 448.541 2.920 0 40 IFAB CCn1cnc2c1c(OCC(=O)N(C)Cc1ccc(C)o1)nc(=O)n2Cc1ccccc1 28616800 JKSSMZYRZMOSBY-UHFFFAOYSA-N 435.484 2.600 0 40 IFAB CCOc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)cc1 32616266 DKGDTRUMVSHDDL-UHFFFAOYSA-N 436.493 2.657 0 40 IFAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCCN(c4ncccn4)CC3)c2c1 36354526 ZJOJZNGZDMMGGD-FQEVSTJZSA-N 436.516 2.890 0 40 IFAB O=C(/C=C/c1ccccc1OC(F)(F)F)NCCCN1C(=O)NC2(CCCC2)C1=O 36398347 ZOXBIMYQGOZEOL-CMDGGOBGSA-N 425.407 2.969 0 40 IFAB Cc1cnc(C(=O)N2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 36734287 FNYHEDBPVFEEBU-UWJYYQICSA-N 425.508 2.735 0 40 IFAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 67205453 YZVLZYYCRRMGDN-UHFFFAOYSA-N 449.532 2.906 0 40 IFAB CC(=O)NC1(c2noc(CCC(=O)NC[C@@H]3COc4ccccc4O3)n2)CCCCCC1 70009362 FKFLONNALOUHKA-QGZVFWFLSA-N 442.516 2.644 0 40 IFAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC(O)(c3cccnc3F)CC2)CC1 72340057 LFVVXOWBUCMILV-UHFFFAOYSA-N 429.467 2.722 0 40 IFAB COc1ccc(CCN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C5CCNCC5)C4)nc32)cc1 72355732 XQYQPVDWPCHSRN-HXUWFJFHSA-N 449.599 2.857 0 40 IFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc5cccc(OC)c5n4)C[C@H]32)c(OC)n1 72392612 VTCKGHSLEQDNNX-LSRZYVKLSA-N 436.512 2.780 0 40 IFAB COc1cc(C2=N/C(=C/c3cc(OC)c4c(c3)OCCO4)C(=O)O2)cc(OC)c1OC 96019417 JZVLYITZHJWCCX-VGOFMYFVSA-N 427.409 2.837 0 40 IFAB CCc1ccc(NC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCN(C)C2=O)cc1 96144306 PECZJFVMWNTPKP-DEOSSOPVSA-N 441.576 2.709 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3cccc(F)c3)C2=O)cc1 97996372 MSWXZSWOBAVBLO-WOJGMQOQSA-N 441.484 2.717 0 40 IFAB COCC(=O)N1CCc2nc3cc(C4CCN(C[C@H]5CC=CCC5)CC4)nn3c(O)c2C1 100232673 PLGGCBJURDIRMG-KRWDZBQOSA-N 439.560 2.502 0 40 IFAB c1ccc(-n2ncc3c2ncn2nc(C45C[C@@H]6C[C@@H](C4)CC(n4ncnn4)(C6)C5)nc32)cc1 102643342 UBTRKVIBOGIAKP-MTPGRUBUSA-N 438.499 2.697 0 40 IFAB COC(=O)c1cc(NC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc(C(=O)OC)c1 102970614 SEDFPJCUEPGHRU-KKQCZIFWSA-N 428.485 2.673 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1Br 165270640 SHAUGHRXXXZTFP-UHFFFAOYSA-N 441.303 2.625 0 40 IFAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653164 SYCSGYKFDCSIRD-NRFANRHFSA-N 434.558 2.997 0 40 IFAB COc1ccccc1OCCNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 224009130 RNNQKOJDFIKUHH-CQSZACIVSA-N 426.922 2.698 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 224517435 WDZPEVHPUHIODU-SFHVURJKSA-N 445.585 2.762 0 40 IFAB CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)s1 225567839 HLMJINBGJJIABH-UHFFFAOYSA-N 428.561 2.696 0 40 IFAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccc(Br)cc3)no2)CC1 225820529 FLUJMOYUJDJCDE-UHFFFAOYSA-N 437.294 2.732 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 257211799 CALLCKGJNAWZNN-DEOSSOPVSA-N 425.504 2.575 0 40 IFAB COc1ccccc1CC(=O)N1CC[C@@H](c2nc(C)c(CC(=O)N3CCCC3)c(C)n2)C1 257226287 FJZSANIKEXYNJW-HXUWFJFHSA-N 436.556 2.826 0 40 IFAB Cc1cccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 260757727 RTLDSVJSZNTBQD-LJQANCHMSA-N 445.585 2.703 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260832761 LRGDTFWMNNZDOY-MRXNPFEDSA-N 448.541 2.888 0 40 IFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NC[C@H]1COc2ccccc2O1 260895365 HVVDZKDGECLICC-IBGZPJMESA-N 438.505 2.838 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408551268 HBSGXSDHINQQPJ-UHFFFAOYSA-N 438.267 2.864 0 40 IFAB CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCC(=O)N1CCOCC1 408574306 LPJBGHSETDCTRB-UHFFFAOYSA-N 444.553 2.797 0 40 IFAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(OC)c1 409154134 NVZNLINXZYJVQS-UHFFFAOYSA-N 425.514 2.967 0 40 IFAB O=C1CCc2cc(Cl)c(S(=O)(=O)NC3CCN(c4nccs4)CC3)cc2N1 547310030 DHRLNOXBMJRMLX-UHFFFAOYSA-N 426.951 2.629 0 40 IFAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccccc3Br)CC2)n1 1889138835 VGZRSJSOAORQQZ-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1cnn(C)c1)CCOc1cccc(c1)C2=O 2037978102 AVNZZMWKADUALN-JTHBVZDNSA-N 426.561 2.962 0 40 IFAB CSc1nn(-c2ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc2)c(=S)s1 3441680 SYCMTBGUDZPHJQ-UHFFFAOYSA-N 426.545 2.776 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C1=O 8644297 WLOPKGWPHOEJSA-NRFANRHFSA-N 429.498 2.947 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)cc1 8987659 AQFYRJOPBQREPH-UHFFFAOYSA-N 441.509 2.745 0 40 IFAB COc1ccccc1-c1n[nH]c(SCC(=O)N2CCN(c3ccccc3OC)CC2)n1 9096343 OFKURYZQRIJIPH-UHFFFAOYSA-N 439.541 2.930 0 40 IFAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 9190882 RHUHEXGPKCHPRC-QGZVFWFLSA-N 427.526 2.771 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccco1 9391641 VUEIUPWPQQSBPY-JKSUJKDBSA-N 439.493 2.502 0 40 IFAB O=C(CSc1cccc2cccnc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9402861 YCNDOIVOIFMLNM-UHFFFAOYSA-N 443.550 2.987 0 40 IFAB O=C(CSc1cccc2cccnc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9403200 QPVPCRMOVBLWQG-UHFFFAOYSA-N 443.550 2.987 0 40 IFAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9712305 FAKOYARPCLDTFI-GOSISDBHSA-N 435.571 2.545 0 40 IFAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9726501 GGTTYOUPSATQFA-CQSZACIVSA-N 438.550 2.661 0 40 IFAB COc1cccc([C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 12548111 CLIVEUFCASSSBL-QGZVFWFLSA-N 435.452 2.944 0 40 IFAB CC(C)COc1cccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 12617811 OLZUSQIZESOHNS-UHFFFAOYSA-N 426.542 2.749 0 40 IFAB O=C(CN1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12686918 NKFPTUPIGVBLKN-IBGZPJMESA-N 433.599 2.559 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccccc2Br)cc1 12924818 FFDXOHJKNDYPMO-UHFFFAOYSA-N 439.331 2.676 0 40 IFAB NC(=O)[C@@H]1CC(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)=NN1c1ccc(F)cc1 13012017 BHUVSVLYWITUQZ-SFHVURJKSA-N 435.415 2.730 0 40 IFAB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2cccc(C)c2C)CC1 13504274 RVUBFXYMMRRUCC-QHCPKHFHSA-N 436.560 2.857 0 40 IFAB Cc1ccccc1C(=O)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O 16850537 WYCZNSOEQNROLB-UHFFFAOYSA-N 431.492 2.622 0 40 IFAB COCC(=O)N1CCO[C@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC(C)C)C1 19449685 KQBMAELWWCEPHC-DEOSSOPVSA-N 428.504 2.804 0 40 IFAB COc1ccc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1OC 19617674 ISNOFQSEPOLBNB-UHFFFAOYSA-N 436.512 2.895 0 40 IFAB O=C(CCN1C(=O)CCNC1=O)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19693570 XOLQTTPNRMSQRR-IBGZPJMESA-N 442.903 2.634 0 40 IFAB CCn1ccc(C(=O)N2CCC[C@H]2c2nc(C)ncc2C(=O)NCc2ccc(OC)cc2)n1 19767114 IHZMSNYMDTWOMT-NRFANRHFSA-N 448.527 2.917 0 40 IFAB Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)cc1C 20486676 OWUZNNYQUOAOLK-UHFFFAOYSA-N 432.527 2.998 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F 20568013 ADFXYYLFJYYFFJ-UHFFFAOYSA-N 428.507 2.810 0 40 IFAB COc1ccc(-c2noc(C(=O)NCCNC(=O)COc3ccc4ccccc4c3)n2)cc1 21453899 ZBKKPALUINGLCY-UHFFFAOYSA-N 446.463 2.823 0 40 IFAB COc1cc(C)ccc1OCC(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 22127691 DFQRKUXEHGSZJP-UHFFFAOYSA-N 441.889 2.621 0 40 IFAB CN(C)CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 22926905 BERWMUIAUWHFLU-CMKODMSKSA-N 426.527 2.639 0 40 IFAB biogenic,in-vitro COc1ccccc1CNC(=O)Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O 23126063 FZDREVWBOFFTCC-UHFFFAOYSA-N 441.285 2.965 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 23675349 CSTXYDUYGWCQKI-BOBCHSRXSA-N 429.517 2.772 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)cc1 23693012 ILKDSSZLTXRARZ-UHFFFAOYSA-N 449.511 2.662 0 40 IFAB Cc1cccc2c(=O)n(CCCC(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)cnc12 26951574 LZCAUUGAWOPLKT-UHFFFAOYSA-N 438.871 2.890 0 40 IFAB CCN1C(=O)N/C(=C/c2cc(Br)c(O)c(I)c2)C1=O 27136726 QZNLNGMUBPDNHO-WEVVVXLNSA-N 437.031 2.672 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccnc1)[C@H]1CC(=O)N(c2ccccc2)C1 32104384 YCTZEKFNDIUCCK-SIKLNZKXSA-N 428.492 2.801 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)cc1 32755319 KSMXVMKUYWIJNX-JOCHJYFZSA-N 426.538 2.842 0 40 IFAB COc1ccc(-c2noc(Cn3nc4ccc(-c5ccccc5)nn4c3=O)n2)cc1OC 49399462 OPIRQQOZOGVIBU-UHFFFAOYSA-N 430.424 2.674 0 40 IFAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1C 59248385 ZSDLLPXVZFWYSI-JOCHJYFZSA-N 428.510 2.665 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)ncn3n2)cc1 67208851 LVNSCKILDONPLH-UHFFFAOYSA-N 433.468 2.776 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3Cl)c21)OC[C@H]1CCCO1 72336732 HJNANSWTTBBFEK-CQSZACIVSA-N 443.891 2.640 0 40 IFAB CC(=O)N1CSC[C@H]1C(=O)N1CCC(c2nc(C)c(-c3ccnc(C)n3)s2)CC1 72340158 VOZSOWVLVWKDKZ-KRWDZBQOSA-N 431.587 2.844 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)c2ccccn2)n1 72391858 CLUBXNCLMMVLNF-GOSISDBHSA-N 430.512 2.702 0 40 IFAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 79022319 DOZZAWFIPAPCLJ-CTRJTCCGSA-N 435.409 2.779 0 40 IFAB CSc1ncc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)n1-c1ccccc1 79026195 JMSQSRMBBFXYLQ-UHFFFAOYSA-N 443.617 2.951 0 40 IFAB CCOC[C@H](O)CN1CCN(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)CC1 95399139 GNEFVABVYVWAOL-HXUWFJFHSA-N 427.549 2.605 0 40 IFAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 95997690 FMXVLKCUFAATLU-SJORKVTESA-N 425.470 2.559 0 40 IFAB COc1ccc(-c2nn([C@H](C)C(=O)N3CCN(c4ccccc4)CC3)c(=O)cc2OC)cc1 96101060 MXKSAJSDNXQNLZ-GOSISDBHSA-N 448.523 2.837 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC 96126920 DCFRMWMLSMFAJU-IBGZPJMESA-N 437.496 2.686 0 40 IFAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC(=O)N1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108149450 MIJDJSHUMSGRNQ-WLNPFYQQSA-N 429.605 2.816 0 40 IFAB Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)O)c(=O)n(C)c(=O)n2C(C)C 143280795 RZEDXUGEXVCOBJ-UHFFFAOYSA-N 430.408 2.682 0 40 IFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222880121 SAZGHTFEGLZTGZ-UHFFFAOYSA-N 435.521 2.754 0 40 IFAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)s1 224269437 WAYDHUXWJPCRLC-LBPRGKRZSA-N 445.526 2.788 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)ccc21 225084698 QJKRPFOCAKQSMQ-CYBMUJFWSA-N 449.554 2.885 0 40 IFAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225592935 VSKAZQHBGBDOQS-UHFFFAOYSA-N 436.537 2.901 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 247712500 KRMUSJBFIHWDDU-HKQJZWTQSA-N 441.531 2.851 0 40 IFAB biogenic Cc1nc2cc([C@@H]3CCN(C(=O)Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C 257257721 KQVJYLOZDMKFKB-HXUWFJFHSA-N 448.571 2.757 0 40 IFAB Cc1nc(C(=O)N2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(F)cc4)n23)cs1 306144408 ZEIVXGITRUGLCI-UHFFFAOYSA-N 426.521 2.926 0 40 IFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 408596182 RMBYVXXQWLNGJK-HNNXBMFYSA-N 433.530 2.985 0 40 IFAB COCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408607875 QTNPJOYXEFPWTM-MRXNPFEDSA-N 431.341 2.646 0 40 IFAB O=C1C[C@H](C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)CN1c1ccc2c(c1)OCCO2 533749878 IUPXJTBQCNEXPF-HKUYNNGSSA-N 446.507 2.852 0 40 IFAB O=C(C1CC(F)(F)C1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccnc1)C[C@@H]2c1ccccc1 1565555661 FNUNKGCJFGWNKF-HYBUGGRVSA-N 441.478 2.851 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1F 1775974710 MHXASPDYMYWWPP-UHFFFAOYSA-N 435.399 2.875 0 40 IFAB CNC(=O)CN1CCOCCOc2ccc(-c3cncnc3)cc2Cc2cccc(c2)C1 2037885140 JXVWHYMYMOZCRS-UHFFFAOYSA-N 432.524 2.691 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 3200823 XVLXBLLBCNMLDF-UHFFFAOYSA-N 429.479 2.606 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)cc1 3314263 VBTNHKGJOSLJDG-UHFFFAOYSA-N 432.509 2.566 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NC(=O)NCCC1=CCCCC1 8942834 JHNWOCZPSJOIEK-OAQYLSRUSA-N 430.530 2.548 0 40 IFAB CCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 9245298 ATXXARSQSGYFGR-UHFFFAOYSA-N 432.542 2.687 0 40 IFAB CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1OC 9260316 GZRCGWZFIOQZFA-SFHVURJKSA-N 437.543 2.568 0 40 IFAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@H](C)CC)NC(=O)N[C@@H]1C 9468183 CKSMBSDUOSJSCC-CHWSQXEVSA-N 430.530 2.978 0 40 IFAB COCCCn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21 9487424 DKINIPVRQHLTFP-UHFFFAOYSA-N 448.479 2.653 0 40 IFAB Nn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1-c1ccccc1F 9498767 HZCNLXPCEYJCFK-UHFFFAOYSA-N 447.293 2.861 0 40 IFAB CCOc1ccccc1NC(=O)[C@@H]1SC(Nc2ccccc2OC)=C(C(N)=O)C1=N 9579968 ZRWQUZSIMRKMGN-GOSISDBHSA-N 426.498 2.977 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 9807124 PWZXFSFVKNLJNL-SFHVURJKSA-N 449.960 2.865 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 10852766 FKACKKMZOFNEJP-UHFFFAOYSA-N 428.894 2.625 0 40 IFAB Cc1cc(C)cc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)c1 11758418 ZUWJCNINSQFUMF-SFHVURJKSA-N 448.566 2.511 0 40 IFAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 11758614 JUTRDWVCMRWXSQ-UHFFFAOYSA-N 438.444 2.852 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O 12086537 WXUPZCULPWAEGB-GYCJOSAFSA-N 438.503 2.703 0 40 IFAB O=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCC3)CC1)Nc1ccccc1C(F)(F)F 12113684 BGFQQRHLIZFBAW-UHFFFAOYSA-N 435.450 2.792 0 40 IFAB Cn1c(SCC(=O)NCCc2ccccc2)ncc(C(=O)Nc2ccc(F)cc2)c1=O 12236835 HINGGQOUJFWGCK-UHFFFAOYSA-N 440.500 2.623 0 40 IFAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 12497622 FRNWPTRXNLTCSJ-QPXQOZNCSA-N 426.469 2.840 0 40 IFAB CCn1c(CSc2nnc(C3CC3)o2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12547428 FXEBZFVAZNUBBY-UHFFFAOYSA-N 449.558 2.630 0 40 IFAB CCOC(=O)CCCNC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 12779541 AWBXEPJXZYBUMK-UHFFFAOYSA-N 427.324 2.786 0 40 IFAB CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cc(C)on1 12812784 HBHMHZQDOHLWFQ-QGZVFWFLSA-N 437.408 2.946 0 40 IFAB COc1ccc([C@H]2N(C(=O)CN3CCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 12867471 GDGQPSDKTDWXQH-QHCPKHFHSA-N 443.569 2.631 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2)n1 13137158 IMGJRTJAXFEAEO-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB CCOc1ccc(/C=c2\sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 13838468 GYNDXGPXMPRYST-ZDLGFXPLSA-N 439.493 2.790 0 40 IFAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(CC(=O)OC)c3ccc(Br)cc32)cc1 13940676 XRTLSNIXZZJUCB-OAQYLSRUSA-N 446.297 2.992 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1F 15882167 JTEQPDPZCNMXLY-UHFFFAOYSA-N 444.488 2.929 0 40 IFAB CCOc1cc(Br)c(CC(=O)N2CCN(c3ncccn3)CC2)cc1OCC 17339433 ARCAAQXTHHKGIP-UHFFFAOYSA-N 449.349 2.928 0 40 IFAB Cc1ccc2nc([C@@H]3CCCN3C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)[nH]c2c1 19221514 LDFXRNRXQRPUMW-SFHVURJKSA-N 438.509 2.770 0 40 IFAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl 19299308 PVAUXQURAGRBKR-UHFFFAOYSA-N 444.918 2.624 0 40 IFAB CCn1cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)c(=O)c2ccc(C)nc21 19524432 TZLQRERILAYGEK-UHFFFAOYSA-N 431.496 2.513 0 40 IFAB COc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)CN(C(C)=O)CC3)c1 19710365 PPZGZIVSUTWARM-OAQYLSRUSA-N 437.544 2.823 0 40 IFAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)CCc2ccc(F)cc2)cc(N(C)C)n1 19760113 YCPBRGXKJKFKND-FQEVSTJZSA-N 427.524 2.956 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 20244620 GKRYSUSUVNIPJT-UHFFFAOYSA-N 433.530 2.732 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 22372472 KHPOIFIRZAQSPC-UHFFFAOYSA-N 438.933 2.626 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606628 WMZQPQPGXLORAL-HNNXBMFYSA-N 435.571 2.926 0 40 IFAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 25906330 AFIFZJPCAICMCN-MRXNPFEDSA-N 447.582 2.609 0 40 IFAB Cc1ccc(C(=O)CSc2nc(=O)n([C@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1F 27991889 DGUZQEVSBHRCPK-AWEZNQCLSA-N 436.530 2.514 0 40 IFAB CC(C)C[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 28736123 JIOWSVRWVNPHDT-HSALFYBXSA-N 449.555 2.801 0 40 IFAB Cc1nc2ccccc2nc1N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(CO)cc23)CC1 32102801 DWLQQRGFWSLTMX-QFIPXVFZSA-N 431.496 2.860 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)c1 33278741 YPURNCYPDRVNSD-UHFFFAOYSA-N 437.496 2.859 0 40 IFAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(Cc3cccs3)CC1)cn2CC(=O)O 36357237 HWPUWIRFKSMVAL-NRFANRHFSA-N 443.525 2.740 0 40 IFAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)NCc1ccc2c(c1)OCO2 44227626 OKRXIQCJOUBSQR-UHFFFAOYSA-N 437.481 2.868 0 40 IFAB CN(Cc1ccccc1Br)c1ccc(S(=O)(=O)N2CCOCC2)cn1 68837891 BXHTVKYYVZXGKH-UHFFFAOYSA-N 426.336 2.501 0 40 IFAB O=C(Cn1cc(Br)ccc1=O)Nc1cccc(Cl)c1N1CCOCC1 71874998 YGVYRHCQDVSSTF-UHFFFAOYSA-N 426.698 2.740 0 40 IFAB CN1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)c2cscn2)CC1 72280907 XMBKHKJSACLZIN-UHFFFAOYSA-N 441.370 2.935 0 40 IFAB CC(CCOC(=O)CCCC(=O)NC(C)C)CCOC(=O)CCCC(=O)NC(C)C 78989115 ZKTXQBVTGZCXPP-UHFFFAOYSA-N 428.570 2.879 0 40 IFAB CC(=O)Nc1ccc(N(C[C@H](O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117126 PEIWNAUATISMLL-JOCHJYFZSA-N 445.585 2.996 0 40 IFAB CC(=O)Nc1nc(C(=O)N2CCC[C@H](c3cc4nc5c(c(O)n4n3)CCCC5)C2)cs1 100138514 LBZCTPICSGDWIJ-ZDUSSCGKSA-N 440.529 2.748 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 100235047 FHRVTIBMWSJZFC-QIIPPGSGSA-N 425.533 2.685 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 100738857 RDISMJCWHPIYEN-UHOSZYNNSA-N 428.558 2.672 0 40 IFAB COc1ccc(CNC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 219188660 ZMGFRPVLNOYRGZ-UHFFFAOYSA-N 432.498 2.539 0 40 IFAB Cc1ccc(C)c(N(CC(=O)Nc2nnc(SC(C)C)s2)S(=O)(=O)N(C)C)c1 223268868 VTNZSRIXAUNFNQ-UHFFFAOYSA-N 443.620 2.907 0 40 IFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 223479243 DNEWXRZUIOTBBV-QHCPKHFHSA-N 427.520 2.754 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)ccc21 225109055 YBJVCYMQVJFQNI-KRWDZBQOSA-N 447.538 2.557 0 40 IFAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO 227307258 IJQKWVHSIMOULQ-WDJPJFJCSA-N 439.556 2.831 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)cc1 257262547 LLWBMJMBUXXILS-IBGZPJMESA-N 436.556 2.872 0 40 IFAB CCc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)no1 257282089 OSHGIFPDNXFEBM-CQOQZXRMSA-N 427.545 2.541 0 40 IFAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCOC[C@H](Cc4nccn5cccc45)C3)C2)cc1 257325404 WSUOIDHWGBQNFB-CJAUYULYSA-N 448.523 2.944 0 40 IFAB CN(C)c1ncc(C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cn1 257342926 ZQQPJSDCZWOVTQ-HDJSIYSDSA-N 438.557 2.955 0 40 IFAB CSCC[C@H](NC(=O)CCn1c(O)nc2ccccc2c1=O)c1nc2ccccc2[nH]1 524733352 KBMCFAGJLBDFCH-SFHVURJKSA-N 437.525 2.979 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@H]3c3nnc([C@H]4CCCO4)o3)ccc21 553881768 BGJDFHIEBDQLAD-JKSUJKDBSA-N 448.501 2.765 0 40 IFAB O=S(=O)(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)N1CCOCC1 576920050 QSKGUJGTMXPKSI-UHFFFAOYSA-N 438.346 2.558 0 40 IFAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCCc2ccccc2Cl)[C@@H](O)C1 585284738 HHQMYHFDFYFGHU-UNMCSNQZSA-N 437.367 2.693 0 40 IFAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)N(C)C[C@H](O)CO)ccc21 643576187 SEXXPPGBLQRCBL-QHCPKHFHSA-N 447.620 2.887 0 40 IFAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@H]3C2)nc1C 1888920854 XMSCNTMESNSEGD-ROUUACIJSA-N 442.589 2.899 0 40 IFAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895870 LKPGTCOZSSZCKB-UHFFFAOYSA-N 441.509 2.781 0 40 IFAB COc1cccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)n2C)c1 3495625 BQZCLGAOCRUXSG-UHFFFAOYSA-N 443.504 2.819 0 40 IFAB CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 6089657 KKIREBLFSAPIAA-ZDUSSCGKSA-N 431.924 2.683 0 40 IFAB CC(=O)Nc1ccc2c(c1)C[C@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@H]1CCCCCN21 8971339 LYSINHHYCTYTIN-WZONZLPQSA-N 426.517 2.813 0 40 IFAB CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C)cc5)CC4)ncnc32)cc1 9851286 HRCZIEROPVUGIC-UHFFFAOYSA-N 443.511 2.880 0 40 IFAB COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 11697553 BKOAJZIPVPCKND-UHFFFAOYSA-N 435.488 2.987 0 40 IFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 12543206 OUILIHKPIIOWCI-UHFFFAOYSA-N 447.539 2.635 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H]1c1ccc(OC)cc1 12685434 RPYHOAZVWPIQLN-IRLDBZIGSA-N 437.544 2.524 0 40 IFAB C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)NC(=O)c1ccccc1 12768610 MTLJJEMXCGLIBZ-QGZVFWFLSA-N 442.947 2.631 0 40 IFAB C[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 12885737 DVVYNCMTLVPQJJ-BTYIYWSLSA-N 442.471 2.828 0 40 IFAB biogenic COC(=O)c1c(NC(=O)COc2cccc(-n3cnnn3)c2)sc2c1CC[C@@H](C)C2 12989174 BBSFWCAFLBZGEE-GFCCVEGCSA-N 427.486 2.653 0 40 IFAB Cc1nn(-c2ccc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nn2)c(C)c1C 13009038 JSDCJOZYRVWOGV-UHFFFAOYSA-N 444.495 2.656 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)[C@@H]1C 13056971 NVWPVKPZBCFCNL-DNVFCKCGSA-N 447.645 2.813 0 40 IFAB COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13150783 DEQGVAMHFGQDAX-QHCPKHFHSA-N 447.495 2.870 0 40 IFAB C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14242198 HZXFTRMLWJWNDX-HWPZZCPQSA-N 439.453 2.871 0 40 IFAB O=C1c2ccccc2C(=O)N1CCSc1nnc(N2CCOCC2)n1Cc1ccccc1 17957041 WMQXSJLLDNKKKV-UHFFFAOYSA-N 449.536 2.551 0 40 IFAB Cc1ccc(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3nc(C)nc(C(N)=O)c32)c(C)c1 19132344 TUKNGMINACEORM-UHFFFAOYSA-N 433.443 2.628 0 40 IFAB Cn1cc(CN2CCC[C@H]2c2nc(=O)c3c([nH]2)CCN(C(=O)CC2CCCCC2)C3)cn1 19290694 DBBSGEXATRLORG-NRFANRHFSA-N 438.576 2.696 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)CC1 19427428 HBLOLYFFSAZGOO-UHFFFAOYSA-N 427.906 2.860 0 40 IFAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3cc(C(=O)Nc4nccs4)[nH]n3)C2)cc1F 19707676 YJRICTWPUULHCJ-LBPRGKRZSA-N 435.506 2.744 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)CC1 19755590 GSBUXWAYRVSPGU-OAQYLSRUSA-N 435.528 2.959 0 40 IFAB CNc1cc(C(=O)N2CC[C@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)ccn1 19757967 NWJROJQMQYGJTK-KRWDZBQOSA-N 433.512 2.677 0 40 IFAB CN(C)c1cccc(C(=O)N2CC[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c1 19760946 SAFUAUYLPFGPKX-GOSISDBHSA-N 432.524 2.653 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 24858135 UMAAUGBKXJHWCW-RXVVDRJESA-N 442.471 2.850 0 40 IFAB Cc1nn(CC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c(=O)c2ccccc12 24990175 UPBJBVSBZPMVHW-UHFFFAOYSA-N 446.463 2.562 0 40 IFAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 25063219 GLGJQAUHHPEVLE-AWEZNQCLSA-N 442.463 2.791 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1cnc2c(C)cccc2c1=O)CC3 25454691 QQMNXRJBBFQWCU-UHFFFAOYSA-N 444.491 2.948 0 40 IFAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 32797562 ILPIWXSZMOZFBI-GFCCVEGCSA-N 432.483 2.523 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 33732002 KXRKXUKGAHYTIC-OAHLLOKOSA-N 439.541 2.723 0 40 IFAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 34854118 MNUBQOOLSPNZGB-PZSRYKBRSA-N 439.581 2.799 0 40 IFAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 36398835 XMMLNGJTNAUWCH-LJISPDSOSA-N 430.954 2.728 0 40 IFAB Cc1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1Br 38850314 QAQGNSOBQRAWHY-MRXNPFEDSA-N 425.304 2.923 0 40 IFAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40157724 OJHOXQXAWKKJGR-XUSGNXJCSA-N 427.482 2.647 0 40 IFAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)ccc1Cl 48263807 FJZDLJWQKLVEKS-GOSISDBHSA-N 449.960 2.684 0 40 IFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O 57485840 HNTBFAIMJOLDJU-UHFFFAOYSA-N 437.905 2.944 0 40 IFAB CCOC(=O)c1c(C)nn2c(=O)cc(CN(CCN(CC)CC)Cc3ccccc3)[nH]c12 72308256 ZZUSVLSBODKCGR-UHFFFAOYSA-N 439.560 2.852 0 40 IFAB Cc1nc(C2CCN(C(=O)C[C@@H](C)n3ccnc3C)CC2)nc(N2CCOCC2)c1C 72337209 VLNXSCPFDYZGKA-MRXNPFEDSA-N 426.565 2.792 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(=O)N2CCN=C32)cc1 72347797 GPUJRXWLRDYMAW-HNAYVOBHSA-N 436.516 2.578 0 40 IFAB CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@@H]1S(C)(=O)=O 78970270 TVOVFUMLBFCUFG-BJJXKVORSA-N 440.787 2.740 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c2cccnc12 79092278 SMBFRPSSMZDXQV-UHFFFAOYSA-N 429.546 2.730 0 40 IFAB O=C(NCCCCCc1nnc2ccccn12)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79494186 AMHPZHQBAPQIDY-INIZCTEOSA-N 427.940 2.918 0 40 IFAB COc1ccc(CCc2n[nH]c(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)n2)cc1 95477774 LIQQQGVONOYABE-INIZCTEOSA-N 435.484 2.599 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 102618938 DATWFLTZESFLSZ-FJJYYWMZSA-N 428.897 2.963 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220221899 AFMSWYQCEVZBHR-CABCVRRESA-N 436.530 2.744 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOc4ccccc43)C2)cc1 222586351 BNVXIFPKRYEYKL-QGZVFWFLSA-N 430.526 2.912 0 40 IFAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1 224139515 AKQKJPJIPVQNGG-UHFFFAOYSA-N 444.539 2.916 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(I)cc2)cc1 224854696 QBFUOCNINJTLST-UHFFFAOYSA-N 447.250 2.580 0 40 IFAB Cc1cccc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)c1C 225276808 LOTJHOJIPZXKBM-GOSISDBHSA-N 432.542 2.806 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225732626 NEDFIOPBNXUDQY-HNNXBMFYSA-N 428.432 2.944 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2OC)cc1 226055730 KESAQYZGLPURKS-UHFFFAOYSA-N 448.541 2.759 0 40 IFAB COc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccc3Br)C2)cc1F 238874871 NUEVMQBACDBQBB-NSHDSACASA-N 431.283 2.834 0 40 IFAB Cc1cc(O)cc(=O)n1CCC(=O)N1[C@H]2CCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257323433 WKDGPVHNUYUZQG-QVNIBDNGSA-N 437.540 2.523 0 40 IFAB Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C 260744307 OFAJAAYISAYPKM-LJQANCHMSA-N 445.585 2.703 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831661 TYXVYQVPLPRVHC-FOIQADDNSA-N 448.491 2.706 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408658642 LJAWYZZSXZTYSO-MASOJFRBSA-N 437.279 2.671 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3ccc4c(c3)CCC(=O)N4)C2)cc1 513241275 QYZJWVBHAQISGB-QGZVFWFLSA-N 441.553 2.710 0 40 IFAB O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CCC(O)(C(F)(F)F)CC2)C1 534100528 IVVQKLAAIOECHU-MRXNPFEDSA-N 428.451 2.610 0 40 IFAB O[C@@]1(COc2cccc(F)c2)COCCN(Cc2cccc(OCCn3cccn3)c2)C1 585274780 NSMVFLMZRBQUPC-XMMPIXPASA-N 441.503 2.744 0 40 IFAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H]4Cc5cc(F)ccc5O4)CC3)cc2NC1=O 607112211 DDKGWXWMIGCSQU-ZSEKCTLFSA-N 438.455 2.970 0 40 IFAB Cc1ccc(CN2CC3(C2)[C@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N3C(C)C)o1 1549167489 PJKJOQGBIVHZHO-QFIPXVFZSA-N 437.540 2.649 0 40 IFAB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 780776 YXSPBTZLGDJWTK-UHFFFAOYSA-N 426.897 2.529 0 40 IFAB O=C(COc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3277709 LKJNTIRSWWBEPA-UHFFFAOYSA-N 426.498 2.822 0 40 IFAB C[C@H](COc1ccccc1)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3406887 YEBUJAGQAMYNNB-OAHLLOKOSA-N 439.917 2.985 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(O)cc1 8432637 BABJRTWFMGHNSW-VOMPUTFMSA-N 438.480 2.643 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9119637 CVIBTOHLUZFZAI-UHFFFAOYSA-N 440.525 2.669 0 40 IFAB COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 9243465 IJPKESIYGUJFJN-UHFFFAOYSA-N 433.443 2.643 0 40 IFAB CN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2C1=O 9354721 JJNCEUWODGJRNS-UHFFFAOYSA-N 449.488 2.990 0 40 IFAB Cc1cc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)ccc1Br 9355919 ZHACFDNXUJGUGY-UHFFFAOYSA-N 425.348 2.882 0 40 IFAB Cc1nn(-c2ccccc2)c(Cl)c1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 9451731 DDNPDSUZFQUBHG-UHFFFAOYSA-N 432.933 2.829 0 40 IFAB Cc1ccc(SCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 9667760 IZFIZNXTDXFUHJ-UHFFFAOYSA-N 434.583 2.846 0 40 IFAB CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 9789706 SOFATFIXFYLAID-FQEVSTJZSA-N 433.917 2.980 0 40 IFAB NC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10186927 WAUXUHXZFXWFNX-UHFFFAOYSA-N 433.964 2.601 0 40 IFAB O=C(NCc1ccccc1Cn1cccn1)C1CCN(S(=O)(=O)c2cccs2)CC1 10235054 HWNRZAYBDQJXCF-UHFFFAOYSA-N 444.582 2.710 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 11173199 DERFWBODFNBVKY-MRXNPFEDSA-N 448.541 2.606 0 40 IFAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 11700214 CUEIWQHGABAKIQ-UHFFFAOYSA-N 437.949 2.548 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12236872 AFZCQWCTPQWRQO-IRXDYDNUSA-N 436.560 2.579 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)Cc3ccc(F)cc3)n2)cc1 12476325 DVYCWPYESWYUGO-UHFFFAOYSA-N 438.507 2.731 0 40 IFAB O=C(CSCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036802 UTXALMZAUIJOFK-UHFFFAOYSA-N 445.552 2.793 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2=O)cc1 14253527 MEAIRLJZYRKNSF-QGZVFWFLSA-N 448.523 2.945 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccccc1 14257292 ZAJLSEUBSNVJEO-CKNGIZQFSA-N 434.517 2.807 0 40 IFAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 14801311 ALBPHHMXIKBHOF-UHFFFAOYSA-N 445.463 2.808 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 15858342 FMQQYEYEQUBFKS-CYBMUJFWSA-N 436.917 2.634 0 40 IFAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@H](CSC)C(=O)O)ccc23)cc1 15955669 IWYHHRDSNSGTDZ-GOSISDBHSA-N 443.477 2.780 0 40 IFAB biogenic CCN(Cc1cccc(F)c1)C(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 16427551 HRLIKGGLPGDKKW-UHFFFAOYSA-N 447.576 2.879 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccccc2F)c2ccco2)cc1 17043287 QIZZDWNYLBRPPU-HXUWFJFHSA-N 444.484 2.675 0 40 IFAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)=O)CC3)cc1 19018926 TVGDYXRJVCWYGI-OAQYLSRUSA-N 438.528 2.782 0 40 IFAB CC(=O)NCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19021264 ARQXLJHNTZNTPN-GFCCVEGCSA-N 437.447 2.929 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccc(C)cc4)c32)c1 19213438 ZWPOMCKIXZRZRT-UHFFFAOYSA-N 444.495 2.508 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)[C@H]3CCOC3)C1)C[C@@H]2C(F)(F)F 19530924 AIAYQGPAGOSRFV-DARAHFNDSA-N 444.454 2.623 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)CCc3ccccc3)cc2)[C@@H](C(=O)N(C)C)C1 19698800 UTFOWWFBLLHDJA-RPWUZVMVSA-N 435.568 2.928 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CCOc2ccccc2F)ncc1C(=O)N1CCOCC1 19755702 AUHNZHHERWWPIP-LJQANCHMSA-N 442.491 2.529 0 40 IFAB COc1ccccc1CNC(=O)c1ccc(C2CCN(Cc3ccnn3C)CC2)nc1N 19766017 JODPMCMBKIZQMT-UHFFFAOYSA-N 434.544 2.716 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc(=O)[nH]c2ccccc12 22372018 DFMHPBLGFQCOTK-UHFFFAOYSA-N 425.510 2.633 0 40 IFAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 22390288 KXTLGDOIALVTTI-HZPDHXFCSA-N 430.432 2.689 0 40 IFAB COc1cc(OC)cc([C@H](NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2nccn2C)c1 24021777 SAZDBVTUPVMHCG-QFIPXVFZSA-N 447.495 2.826 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3nccn3C(F)F)C2)s1 29183426 JMIRQKRKSHGRNM-ZDUSSCGKSA-N 432.518 2.707 0 40 IFAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 31065452 LPXYRLUZRBPRPC-GOEBONIOSA-N 427.453 2.880 0 40 IFAB NC(=O)NCCC[C@@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)O 32104726 RHKOGLZCAWVCSK-GFCCVEGCSA-N 445.328 2.677 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)/C=C/c1cccc(OC)c1OC 32910157 SRMOJZWKOASBLA-CMDGGOBGSA-N 435.454 2.677 0 40 IFAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)NC2=O)cc1 35432432 AMIUKHXCNPLJNO-UHFFFAOYSA-N 441.553 2.720 0 40 IFAB O=C(CCn1c(=O)cc(C(F)F)c2cn(C3CCCC3)nc21)N1CCN2CCC[C@H]2C1 36621456 YGAZCYVPNPJDSH-INIZCTEOSA-N 433.503 2.947 0 40 IFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)c12 40158523 TYAXECILEGWVGA-UHFFFAOYSA-N 441.576 2.965 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4ccc(OC)cc4c(=O)c3C2)cc1 48987783 QLGHNEPXOAGCOU-UHFFFAOYSA-N 435.480 2.710 0 40 IFAB COC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@H](c2cc(C)ccc2C)C2=C1COC2=O 67288653 OJNOQCIBCCORDZ-OAQYLSRUSA-N 449.463 2.606 0 40 IFAB COCCn1c(S[C@@H](C)C(=O)NC2CC2)nc2ccc(Br)cc2c1=O 68888037 GQBCITWROHZHLD-JTQLQIEISA-N 426.336 2.565 0 40 IFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(OC)ccc3OC)c2C)cc1 71327417 FUAPGYBEWPGFKC-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB COc1ccc(NC(=O)CN(CC(F)(F)F)C2CCCC2)cc1S(=O)(=O)N(C)C 95445093 FFEHJYOAUJDVPW-UHFFFAOYSA-N 437.484 2.691 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 101165953 SNRIGVKPWHHTOH-IRXDYDNUSA-N 448.266 2.934 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)ccc2N1 106027678 NOPNEMYKYWNYHD-FQEVSTJZSA-N 449.960 2.577 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 139029197 JAYFYQTVGISBIF-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220339776 UPXUOBIVIFITND-INIZCTEOSA-N 447.557 2.937 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 222811204 ILYXTRQYOHTYEO-AWEZNQCLSA-N 435.318 3.000 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccccc3C)no2)cc1 225838541 CFTPZVOCUHKWFH-UHFFFAOYSA-N 446.554 2.704 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 238941877 WBGMOOWXJRXTLR-IBGZPJMESA-N 429.565 2.840 0 40 IFAB NS(=O)(=O)c1ccc(CCNc2ncncc2-c2nc(-c3cccs3)no2)cc1 245108395 SVDWBMGLWCYEGE-UHFFFAOYSA-N 428.499 2.557 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)Oc2ccccc21 247761314 HMLFFJCMODNTTG-ROMRWMGNSA-N 425.529 2.699 0 40 IFAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 253596726 VJXFDZRSUUSAGA-OAQLGNTPSA-N 439.556 2.849 0 40 IFAB COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2OCCN2CCCC2=O)CCN1C 257221713 DQFZHUDMNJWXGA-NRFANRHFSA-N 437.540 2.825 0 40 IFAB CC(C)c1nnc(CCC(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)o1 257259139 KXAYOBLDSZYQGL-LRQRDZAKSA-N 427.505 2.549 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(N)=O)CC2)cc1 257263166 LOROIVSMLDBBOR-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 408662646 XGBFTSKVCDDMFD-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 408700761 LJEFQADYOFMCNM-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(N)=O)C1=O 409162213 YMENPMPTTXPBNJ-LICLKQGHSA-N 439.493 2.843 0 40 IFAB Cc1[nH]nc2ncc(NC(=O)CCSCCC(=O)Nc3cnc4n[nH]c(C)c4c3)cc12 536425876 HQDNUPONERSPTQ-UHFFFAOYSA-N 438.517 2.937 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4ccccn4)nn3C)n(C)n2)c1 1775966427 DEADCGWKIWVAKT-UHFFFAOYSA-N 432.484 2.830 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)s2)cc1 1775968661 JNTZJAIUDGIPDK-OAHLLOKOSA-N 446.506 2.673 0 40 IFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)n1 2709359 SPZSTCTWSQCPCI-UHFFFAOYSA-N 436.449 2.945 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(Cl)cc1)n2C 6095061 DCWABFZAUQHICT-UHFFFAOYSA-N 434.949 2.726 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCc4ccccc43)cc2c1 6133934 IZFCAKPOCVZXDS-QFIPXVFZSA-N 446.511 2.712 0 40 IFAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@H]12)C1CCCC1 8296599 LDSPPAOXKMUJMV-UGKGYDQZSA-N 447.491 2.924 0 40 IFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2C[C@H](c3ccc(Br)cc3)C(C(=O)[C@@H]3CO3)=N2)cc1 8691098 ZIMLEDCHIJAGIL-SJORKVTESA-N 449.326 2.870 0 40 IFAB Cc1nc(N2CCN(S(=O)(=O)c3cccs3)CC2)c2c(C)c(C(=O)O)sc2n1 8718247 INZPKNVIQSSFJZ-UHFFFAOYSA-N 438.556 2.579 0 40 IFAB COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 8876197 MEUBKRROHAQNJE-NJNPRVFISA-N 447.601 2.719 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1nnc2ccccc21 9257332 REUDFLVKLPUVED-UHFFFAOYSA-N 443.529 2.643 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1 9263748 NQECPDKAQSYCHA-PBHICJAKSA-N 431.562 2.792 0 40 IFAB CCCCN(C(=O)c1ccccc1Br)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9336419 UIIWCXNOYHQENP-UHFFFAOYSA-N 437.338 2.984 0 40 IFAB COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(CCc5ccccc5)C(=O)[C@H]24)O3)cc1OC 9410394 WOVSHUFYFUOIMY-TVPUMLRDSA-N 434.492 2.667 0 40 IFAB Cc1nnc(SCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)n1Cc1ccccc1 9417413 BJFCOVHLCJOGMP-UHFFFAOYSA-N 434.525 2.622 0 40 IFAB COc1cc(NC(=N)Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)cc(OC)c1 9938398 MKMSMYIXPMHOQA-UHFFFAOYSA-N 433.519 2.698 0 40 IFAB CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1cccc(Br)c1 10901212 AUKXTAFRAMEJOR-UHFFFAOYSA-N 446.345 2.674 0 40 IFAB O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12409936 YHWOLFVWGOOIBR-CYBMUJFWSA-N 435.406 2.844 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCCCC1 12554635 BYDDFSGUCGCCTB-KRWDZBQOSA-N 430.574 2.783 0 40 IFAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 12769511 ANSCRKBDIUZMNB-AWEZNQCLSA-N 442.459 2.713 0 40 IFAB CN(CC(=O)NC[C@H](c1cccs1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 12779909 LCSXAHSXMRYPKH-QGZVFWFLSA-N 442.006 2.975 0 40 IFAB CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(OC)cc1 12948742 ZLLHVPKENDLIIQ-INIZCTEOSA-N 427.320 2.986 0 40 IFAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 13063298 IYGHVJDSJJTHNF-CQSZACIVSA-N 432.448 2.923 0 40 IFAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1 13135055 GPFMFGKSSBXXGT-UHFFFAOYSA-N 431.448 2.762 0 40 IFAB COc1ccccc1CNC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 16021107 MDUCHHWJBXGZKD-MTNXOHHFSA-N 435.568 2.949 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 16975569 FKZDNNDDMCSGNX-UHFFFAOYSA-N 443.447 2.773 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c(=O)n1C 19131617 PGTIEWNHPQAOON-GOSISDBHSA-N 432.528 2.632 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(Cl)cc12 19132583 WPPCLUMKHCHDJT-CQSZACIVSA-N 441.933 2.805 0 40 IFAB COc1ccccc1S(=O)(=O)N1CC[C@@](Cc2cc(C3CCCCC3)no2)(C(N)=O)C1 19739138 KDGPNRHJSFTPMX-QFIPXVFZSA-N 447.557 2.840 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)nc2c1CC(=O)N2Cc1ccccc1 19744345 APCBMCVMHWFQMU-FQEVSTJZSA-N 443.507 2.550 0 40 IFAB O=C(Nc1ccc(F)cc1)c1cccn(CC(=O)N2CCC[C@@H](CN3CCCC3)C2)c1=O 19750295 IWXHIXXBBUTFLP-SFHVURJKSA-N 440.519 2.574 0 40 IFAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 20450272 BBXOLVRWLNTSDI-INIZCTEOSA-N 448.541 2.685 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)=C2)c1 20467481 GJCPIFYGHCLPKC-AOMKIAJQSA-N 431.558 2.986 0 40 IFAB CCCCCc1nnc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)s1 22975201 HRNUFBWKEIJRCL-UHFFFAOYSA-N 446.562 2.777 0 40 IFAB COc1cccc(C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 23642801 MROCWEQEYGVHIN-UHFFFAOYSA-N 446.525 2.585 0 40 IFAB O=S(=O)(c1ccc(SC[C@H]2CCCO2)nc1)N1CCN(Cc2ccccc2)CC1 24715700 MUXVLHRBRJYKAK-LJQANCHMSA-N 433.599 2.859 0 40 IFAB CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)[C@@H](c2ccccc2)C1 32058934 NQAWEYNYAGOLDL-GOSISDBHSA-N 444.329 2.690 0 40 IFAB COc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 32074609 OPTKGLZSULSDDV-ZHRRBRCNSA-N 439.512 2.836 0 40 IFAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 32095470 BFOBFKLWCPQKMC-VBURHUQHSA-N 427.501 2.653 0 40 IFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)C1 32764500 DICDPXLBYZWQOS-OAHLLOKOSA-N 449.573 2.906 0 40 IFAB NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]1c1ccccc1O 34863178 LNLNNOKYZLOYAG-HBFSDRIKSA-N 445.500 2.590 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc1 40399833 LGRIUEHLJONCNO-QGZVFWFLSA-N 449.467 2.985 0 40 IFAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)cc1OC 44891460 AQRGORFLOMWUIV-HXUWFJFHSA-N 433.468 2.927 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1 57486026 ADBABYSASWFPJK-UHFFFAOYSA-N 429.498 2.696 0 40 IFAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 67322540 DXSVRHVBIYGVCU-UHFFFAOYSA-N 429.383 2.527 0 40 IFAB Nc1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(-n2cnnc2)c1 70461834 GZUWBLYOJUQJIQ-UHFFFAOYSA-N 427.306 2.574 0 40 IFAB Cn1ccnc1Sc1ncc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1Cl 78972321 VSFGSFBMAPXGRI-AWEZNQCLSA-N 438.937 2.802 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C[C@@H](C)O1 90503015 GLICYGCVGVNGFL-BETUJISGSA-N 432.527 2.742 0 40 IFAB Cc1ccc([C@H](NCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cccs2)cc1 95347357 PMDSZJCWIVUGQQ-DEOSSOPVSA-N 440.613 2.502 0 40 IFAB Cc1nc([C@H]2CN(C(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 95468235 MIRULILNGMTEDB-UKRRQHHQSA-N 425.411 2.608 0 40 IFAB COC(=O)c1nc(NC(=O)Cn2cc(OC)c(=O)cc2C)sc1Cc1ccccc1 95478330 DYCVNPWSYBXFCH-UHFFFAOYSA-N 427.482 2.638 0 40 IFAB COc1ccc(OC)c(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 100069167 QNCXNUUPKCZQTP-AWEZNQCLSA-N 447.451 2.827 0 40 IFAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 219990276 UZEKRQUVZVDDRI-UHFFFAOYSA-N 446.569 2.857 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 220219479 OLCNZUSHIWRBKP-OAHLLOKOSA-N 438.521 2.746 0 40 IFAB COc1cccc(CCCNC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220343155 VARUIEHZXQQDTR-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)s1)c1ccccc1 223727820 XXAZJQAMYZCWGT-UHFFFAOYSA-N 443.510 2.718 0 40 IFAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)Oc2ccccc21 223839556 XWXVQPPUPASFGM-INIZCTEOSA-N 430.511 2.761 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1cc(C)cc(C)c1 224110452 LDZJOQJBQJQYPX-UHFFFAOYSA-N 434.558 2.690 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 253590752 FHRVTIBMWSJZFC-XUWXXGDYSA-N 425.533 2.685 0 40 IFAB CN(Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O 257200009 ABPTZDGVTHWZAB-KJXAQDMKSA-N 427.545 2.646 0 40 IFAB Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@@H](CC(=O)NCc4nonc4C)C3)c2)n1 257271749 MZQVBCYFJZNDGM-SFHVURJKSA-N 436.516 2.739 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)CC1 408557892 OORIOZYTSNVZQT-UHFFFAOYSA-N 437.949 2.927 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408636032 KRSPPGCPEOTOBO-UHFFFAOYSA-N 442.921 2.681 0 40 IFAB O=C(O[C@@H]1C(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 409294956 CMJOOMLYBOEPQY-JMMIECQRSA-N 433.460 2.995 0 40 IFAB C[C@H](Sc1nc(CC(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cs1)C(N)=O 1167332332 FCKSWZLEYBZHPZ-BTDLBPIBSA-N 447.504 2.694 0 40 IFAB COc1ccc(OC)c2sc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc12 2298248866 DXQUGTHWJFUNQZ-UHFFFAOYSA-N 437.529 2.831 0 40 IFAB COc1ccccc1C(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 1325124 ALHJLPLIBMNMIH-UHFFFAOYSA-N 444.495 2.591 0 40 IFAB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)N1CCOCC1 1465778 CCRRZBRBSYPNFP-UHFFFAOYSA-N 427.551 2.887 0 40 IFAB COc1ccc([C@H]2NC(=S)N3[C@@H](c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC 1716096 IFSLBHIBVNZLNQ-ROUUACIJSA-N 446.554 2.714 0 40 IFAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Br)cnn1C)CC[C@H](C)C3 2778156 ORBUVXJZICKCOY-QMMMGPOBSA-N 436.335 2.771 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 3304735 DLDQJXKRXLPLQM-UHFFFAOYSA-N 448.497 2.878 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(C3CCCCC3)o2)cc1 8928134 SJDGQENAXHLVKJ-QGZVFWFLSA-N 434.518 2.918 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8986938 VYGASTSHNMCZQV-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB COCCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc21 9285055 ODCDPNNBGAPFBD-UHFFFAOYSA-N 442.497 2.894 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 9455117 AQFABIXUAPXUBH-UHFFFAOYSA-N 429.542 2.774 0 40 IFAB CNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 9516791 NUVXSBJXGLEUJD-UHFFFAOYSA-N 441.604 2.875 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 9763268 ZKKZXKNJTVJOEQ-FQEVSTJZSA-N 432.480 2.861 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 9788916 OJWLNWIUYHGBFF-UHFFFAOYSA-N 444.557 2.942 0 40 IFAB CCc1ccc(N(CC(=O)NCCCOC)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300526 DJOXEUPYCCVCPO-UHFFFAOYSA-N 434.558 2.914 0 40 IFAB CCOC(=O)c1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 10337584 DTUSDXVHZNSEDF-UHFFFAOYSA-N 437.543 2.668 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 11214766 RZLXWPWALYTLCB-UHFFFAOYSA-N 448.405 2.785 0 40 IFAB CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)OCO2 12411633 XMEDUQCULUWRPH-VIZOYTHASA-N 443.843 2.999 0 40 IFAB biogenic,in-vitro Cc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C[C@@H]2CCCO2)c(Cl)c1 12447166 NVUKXGTYJOCEHB-LBPRGKRZSA-N 433.921 2.991 0 40 IFAB biogenic,in-vitro CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 12774472 KXBCUQLCJCMXSX-UHFFFAOYSA-N 446.403 2.616 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@@H]1Oc2ccccc2NC1=O 12922335 DMIBGODQRNGEPU-INIZCTEOSA-N 432.274 2.602 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 13607225 WPWCNGUIGPHSJN-UHFFFAOYSA-N 448.884 2.600 0 40 IFAB COc1cc(C2=N/C(=C\c3ccc(N4CCOCC4)s3)C(=O)O2)cc(OC)c1OC 14242065 MUYGUYLNCXCHPK-QINSGFPZSA-N 430.482 2.955 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)s3)CC2)cc1 17050558 GTGBTZQUSJJBHL-UHFFFAOYSA-N 429.361 2.966 0 40 IFAB O=C(CN1Cc2ccccc2C1=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19375549 DXMXBCISVLKGRW-UHFFFAOYSA-N 448.548 2.936 0 40 IFAB O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 19405038 LFJZULJDCNALNL-NRFANRHFSA-N 435.572 2.560 0 40 IFAB O=C([C@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 19405331 JALPJLODKMASBQ-TZIWHRDSSA-N 433.556 2.967 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc(Cn3cnnn3)cc2)N2CCC(C)CC2)cc1 19496806 CUGIPJWLHCLUCM-HSZRJFAPSA-N 434.544 2.933 0 40 IFAB C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccccc3F)CC2)C[C@@H](C)O1 19497304 VOCFCCZLUSCGIH-HZPDHXFCSA-N 428.508 2.747 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@H]3c3ccnc4cc(C)nn34)ccc21 19499163 HAHRAPNILFTMTL-IBGZPJMESA-N 439.541 2.863 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2c[nH]nc2C)C1 19528583 OYSOEVPASUIVTI-DEOSSOPVSA-N 432.528 2.776 0 40 IFAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(C(=O)c4ccc(COC)cc4)CCO3)nc2)cn1 19693889 ZWNBCJUHCURZTI-HSZRJFAPSA-N 446.507 2.863 0 40 IFAB C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1)c1nc2ccccc2[nH]1 19749223 MRNVLHSSEJUNJI-MRXNPFEDSA-N 441.491 2.805 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2F)N1CCN1CCOCC1 20310781 DQRICBVBOOVQGT-FQEVSTJZSA-N 426.419 2.949 0 40 IFAB CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCSCC2)cc1 20503876 RQQRXAPJNLRPKP-BBTUJRGHSA-N 433.691 2.798 0 40 IFAB biogenic,in-vitro CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)cc1OC)S(C)(=O)=O 22252046 FITKDGRWYHENOM-UHFFFAOYSA-N 438.502 2.759 0 40 IFAB CCN1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)CC1 22808364 YBORKONEQSOZSW-UHFFFAOYSA-N 443.544 2.918 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1OC 30853286 ZCRDVBYSBYPMGJ-UHFFFAOYSA-N 449.510 2.700 0 40 IFAB O=C(NCCN1CCN(c2ccccc2)CC1)c1ccccc1I 31539077 PLGAOVDGSDRWKP-UHFFFAOYSA-N 435.309 2.843 0 40 IFAB C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 31699988 GSBREPFDOXFXCF-CQSZACIVSA-N 425.348 2.990 0 40 IFAB NC(=O)N[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(Br)c1 32995825 WBRNOGURXGFMRV-LSDHHAIUSA-N 434.290 2.505 0 40 IFAB CSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 34873208 GLAVZOKORDKEBF-UHFFFAOYSA-N 433.599 2.970 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 36610974 PCUGRWYXNUQSFH-UONOGXRCSA-N 436.877 2.536 0 40 IFAB Cc1cc(C)nc(Nc2nc(CC(=O)Nc3cccc(NS(C)(=O)=O)c3)cs2)n1 49029511 PNKLOZWKZCIGOE-UHFFFAOYSA-N 432.531 2.846 0 40 IFAB CC(C)(CO)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccccc1 89761825 GSPQBJWYEDOIRB-NRFANRHFSA-N 430.570 2.907 0 40 IFAB CC(C)Cn1c(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96221542 PMHYXBYZYVTLMI-HXUWFJFHSA-N 447.539 2.882 0 40 IFAB biogenic Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 169341709 XTNGUQKDFGDXSJ-NZURDFQBSA-N 444.524 2.968 0 40 IFAB in-vitro O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2cccc(Cl)c2)CC1 219436859 ALNUHHMJJZFWQQ-UHFFFAOYSA-N 447.944 2.614 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224645224 HLHNSGIZEBRBFL-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCCN1CCc2ccccc2C1)c1ccccc1F 225019450 DONNXEMNMGWURQ-UHFFFAOYSA-N 447.576 2.937 0 40 IFAB Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)cc1 225659322 BDBYXUJNWZOFOX-UHFFFAOYSA-N 438.509 2.823 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248262064 WNYSZEZUHUALTK-BOCITWAFSA-N 442.519 2.931 0 40 IFAB CSCC[C@H](NC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027826 FCEJUIWAMCQBAA-OALUTQOASA-N 429.494 2.842 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257234824 GVGKKRZBZZELJS-HNNXBMFYSA-N 428.876 2.587 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 257261851 LJAAFOSLRIJNFF-BJKOFHAPSA-N 437.584 2.972 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 260836439 PPMKIZVEHHMNQT-CQSZACIVSA-N 436.555 2.678 0 40 IFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 306131162 JXXSZYZOVRJIED-JKSUJKDBSA-N 435.459 2.703 0 40 IFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 408557733 OOLBIDDWXBORNJ-UHFFFAOYSA-N 449.548 2.632 0 40 IFAB Cc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O 408927438 VAHMBQFMTYNBGK-UHFFFAOYSA-N 439.940 2.902 0 40 IFAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(Br)c2)C1=O 409123598 HNZZOWWQOUMMOI-MDWZMJQESA-N 430.276 2.684 0 40 IFAB Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)[nH]c2c1 530652506 LUGPKZMWTGUIOJ-YADARESESA-N 446.511 2.973 0 40 IFAB O=S1(=O)CCCN1c1ccc(S(=O)(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 588676956 FJCTWMZQXKAAIE-IBGZPJMESA-N 438.546 2.761 0 40 IFAB CC(=O)N1CCCN(C(C)C)CCN(C(=O)CCc2ccnn2C)Cc2ccc(F)cc21 643558087 IOWOHIQLKXFIPA-UHFFFAOYSA-N 443.567 2.988 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CN(C(=O)c1cccnc1)C2 1549167316 NQZQXUQSAWRMQZ-OAQYLSRUSA-N 432.524 2.547 0 40 IFAB CN(C)C1CCN(C(=O)[C@@H]2CN(CC3CCOCC3)[C@H]3c4ccccc4OC[C@@H]23)CC1 1772596008 YOEAWZBORFIWIM-GPXNEJASSA-N 427.589 2.647 0 40 IFAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 4686236 QGLIQEAETDHMLE-OAQYLSRUSA-N 427.545 2.832 0 40 IFAB COC(=O)C1CCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(OC)cc4)nc32)CC1 9301156 WIVULPUHGYOTSD-MRXNPFEDSA-N 443.525 2.845 0 40 IFAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccccc4)ccn3n2)cc1OC 9327548 VVAIURAEVKTIIX-UHFFFAOYSA-N 432.480 2.539 0 40 IFAB COc1ccc(N(C(=O)c2cc3ccccc3oc2=O)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 9416115 OZAQMVFQPWVJGA-HNNXBMFYSA-N 441.461 2.768 0 40 IFAB COc1ccc([C@@H]2[C@@H](C(=O)O[C@@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 9538539 JXUJEYSAOSCDJG-LZFQIVBZSA-N 440.496 2.914 0 40 IFAB O=C1COc2ccc(C(=O)COC(=O)c3ccc(I)cc3)cc2N1 9562053 ZJFWYJTXOKMYDU-UHFFFAOYSA-N 437.189 2.662 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC 9597728 HZTVYKJUVFCBKA-UHFFFAOYSA-N 438.571 2.525 0 40 IFAB biogenic C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 9793387 PDKAGIHHEKMLNV-XMMPIXPASA-N 428.448 2.592 0 40 IFAB C[C@@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10147317 BNRDNCQINRRFLP-GFCCVEGCSA-N 442.946 2.791 0 40 IFAB CCn1c(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)nc2ccccc21 10652327 WEUWBFGILSEKCQ-UHFFFAOYSA-N 436.921 2.887 0 40 IFAB CCn1c(COc2ccc3ccc(=O)oc3c2)nc2cc(S(=O)(=O)N(C)C)ccc21 12629328 VCWHVLZHBXNJBW-UHFFFAOYSA-N 427.482 2.992 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)CCOc1ccccc1F 12860415 CNAHMNJKQULHAR-KRWDZBQOSA-N 449.548 2.948 0 40 IFAB O=C(CNC(=O)c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 12867274 YARHUAZWJXZUSU-ATVHPVEESA-N 443.912 2.923 0 40 IFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O 13095331 SLIFFAYPZMCHTQ-UHFFFAOYSA-N 441.576 2.751 0 40 IFAB Cc1ccc(C(N)=O)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 14244498 MZESLWJGWXXSPZ-MRXNPFEDSA-N 445.541 2.675 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)NC(=O)N[C@H]1c1ccccc1 14247143 ZMGYXCBJYTWOPB-FQEVSTJZSA-N 439.468 2.862 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3C[C@H](C)O[C@H](C)C3)C1)N2 19127835 LQTUUZBJSONWFR-MDMSPXHWSA-N 425.524 2.530 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 19211903 SBFGQAHKMLGSQZ-SFHVURJKSA-N 444.553 2.632 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)[C@H]2CC=CCC2)CC1 19573703 MRTZPMMWAMSAFQ-SFHVURJKSA-N 432.590 2.933 0 40 IFAB COc1ccc2c(c1)c(CN1C[C@@H](c3cccnc3)[C@@]3(COCCC(=O)N3)C1)c(C)n2C 19581558 HACUASJRHOJMIR-DHLKQENFSA-N 434.540 2.765 0 40 IFAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19751881 MDMTZIDQVHVDTG-OAQYLSRUSA-N 438.528 2.562 0 40 IFAB CNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cc(C)ccc3OC)n[nH]2)ccc1OC 21806196 MHSMSZYJQBGAOF-UHFFFAOYSA-N 430.486 2.563 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 22228708 GKWOXKDSCBSLGH-UHFFFAOYSA-N 431.558 2.631 0 40 IFAB CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCCN(C)c2ccccc2)c1 24986771 RCLIFIVCKZSPTF-UHFFFAOYSA-N 440.363 2.614 0 40 IFAB COCCOc1ccc(NC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)cn1 25855515 VAAFMORHDAKMNA-UHFFFAOYSA-N 429.502 2.502 0 40 IFAB COc1ccc(C2(NC(=O)C(=O)NC[C@@H]3COc4ccccc4O3)CCCC2)cc1OC 27240939 UXQKRMKFVVEFMP-QGZVFWFLSA-N 440.496 2.546 0 40 IFAB COc1ccc(OC)c2c1CN(C(=O)NC1CCN(Cc3ccccc3)CC1)C[C@@H]2O 32862693 AQQUMMDCDSLRRS-FQEVSTJZSA-N 425.529 2.927 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 35314538 ZXAQOASQIZWOFH-OAQYLSRUSA-N 444.482 2.825 0 40 IFAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 38181331 GIJGIPLGYRFWEW-MRXNPFEDSA-N 441.875 2.850 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)cc1Cl 49400301 CHZZFDZWRGNKHD-ZIAGYGMSSA-N 444.923 2.674 0 40 IFAB CN(C(=O)CN1CCN(c2ccccc2O)CC1)c1ccccc1C(=O)NCc1ccco1 57335964 KIRKTGRFRSPRBY-UHFFFAOYSA-N 448.523 2.700 0 40 IFAB COCCCN1CCCN([C@H](C)C(=O)Nc2cccc(I)c2)CC1 72308504 SQHUZJQTFZSKCA-OAHLLOKOSA-N 445.345 2.662 0 40 IFAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)CCc1ccccc1F)CC3 72340093 OPUKEVQSPSENIV-UHFFFAOYSA-N 425.460 2.570 0 40 IFAB O=C(c1cccs1)N1CCc2nc(C3CCN(Cc4cccnc4)CC3)[nH]c(=O)c2C1 72398984 QMJOSMNZMQSOSM-UHFFFAOYSA-N 435.553 2.805 0 40 IFAB CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 89977469 NLPMHIVIYRKUEX-LJQANCHMSA-N 446.910 2.824 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)N3CCC(CSc4nccn4C)CC3)CC2=O)c1 90608193 SXCJKHBNXMQMGL-KRWDZBQOSA-N 428.558 2.813 0 40 IFAB COc1ccc(C)cc1CN1CCN(CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)CC1 97601708 XDFPZLPFHSBSES-RTBURBONSA-N 428.577 2.825 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3cc(C)cc(C)c3)C2)cc1 108895308 FXCUAIUYXBZAGX-IBGZPJMESA-N 446.569 2.908 0 40 IFAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2OC)cc1 139001195 NTGCYBAEGJIFPP-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccccc1S(=O)(=O)C(F)F 206843823 YFEOXAQLEFGRLK-CQSZACIVSA-N 449.435 2.972 0 40 IFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-n1cnnc1 223527019 SCAZZFNGUYNAHS-SFTDATJTSA-N 430.541 2.971 0 40 IFAB COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224840412 WISMSJKOHTXUGQ-UHFFFAOYSA-N 431.388 2.845 0 40 IFAB C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@H]21)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 253377105 WAHZCDKYFHPKKJ-JKWQRXEQSA-N 439.560 2.515 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257270572 MUUCJRSUNLPCNW-KRWDZBQOSA-N 445.476 2.525 0 40 IFAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3[nH]c4ccc(F)cc4c3C)CC2)OC[C@]1(C)O 257288564 PURXPFQHIAXYFC-UGKGYDQZSA-N 431.508 2.608 0 40 IFAB CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)[C@@H](c2ccccc2)C1 257318279 VNFVDUXIDQSRKR-JOCHJYFZSA-N 435.524 2.733 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1Cl 260844246 IKBXVLADGSLRHI-CQSZACIVSA-N 426.922 2.698 0 40 IFAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 501896033 DVWKYAKXVYMTGN-KSFYIVLOSA-N 445.922 2.899 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(Cc1nccn1C)CC2 1549168397 WDVNDXSLMDSGGW-QFIPXVFZSA-N 435.572 2.635 0 40 IFAB CC(C)=CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1741262841 MRHPEJZMZGDZOJ-UHFFFAOYSA-N 442.589 2.875 0 40 IFAB COC(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 1425837 ZYVYVWIQNCXEAV-UHFFFAOYSA-N 430.404 2.897 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@@H]1c1ccccc1 2128941 LIKQGZXEHPKEQX-FQEVSTJZSA-N 446.459 2.801 0 40 IFAB biogenic CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1F 3358610 YHBQJKRGUTXXDS-INIZCTEOSA-N 440.518 2.636 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1)c1ccc(F)cc1 4259030 HZCOVQLIONVNKA-DOTOQJQBSA-N 432.455 2.894 0 40 IFAB biogenic,in-vitro COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4CCSC[C@@H]43)C2=O)cc1 8694629 DXQGJFBWXYNNQA-VGOFRKELSA-N 441.484 2.582 0 40 IFAB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 8724739 NHFOIYHKQFXJQB-UHFFFAOYSA-N 445.317 2.926 0 40 IFAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCCN4CCCC4=O)c12)OC(C)(C)CC3 8791509 VQVCZXBGWMRALG-UHFFFAOYSA-N 442.512 2.713 0 40 IFAB biogenic CCc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 9001280 VPGSJUZCNJZLSJ-UHFFFAOYSA-N 429.480 2.511 0 40 IFAB Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCCN1Cc1ccco1 9156890 QPSDICGPLJKYMJ-UHFFFAOYSA-N 443.866 2.741 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCOCC1 9414463 QRUNIPYWFMHDRN-UHFFFAOYSA-N 435.571 2.550 0 40 IFAB C[C@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10147314 BNRDNCQINRRFLP-LBPRGKRZSA-N 442.946 2.791 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc2)C1 10511367 IEWVTFRMKQTRDJ-OAHLLOKOSA-N 436.555 2.763 0 40 IFAB C[C@@H](C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1)N1C(=O)NC(C)(C)C1=O 12187181 WZDMUFUEPGJALX-HNNXBMFYSA-N 446.979 2.671 0 40 IFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 12540345 UFMGPCVYOPYPHE-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB O=C(Cc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 12593307 XSIZYCNZQXPHAW-UHFFFAOYSA-N 447.532 2.628 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C)CC2 12895888 TUQSJEHZABDRHO-FQEVSTJZSA-N 425.529 2.907 0 40 IFAB biogenic Cc1ccc(-c2nn(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c(=S)n2C)cc1 13097654 JMAZXPVIPMYDPO-UHFFFAOYSA-N 443.598 2.891 0 40 IFAB CCOc1cc(C(=O)OCC(=O)NCCC(C)C)ccc1OCC(=O)N1CCCCC1 13104922 IZWHQGYSCNVLQC-UHFFFAOYSA-N 434.533 2.796 0 40 IFAB CC[C@H](C)[C@H](NC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1)C(=O)O 13576376 IBWBNPWULQFHDQ-GKCIPKSASA-N 435.480 2.809 0 40 IFAB COc1ccc(OC)c([C@@H](C)N[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 14244246 PBBWDCYHFZPDJP-HZPDHXFCSA-N 449.573 2.940 0 40 IFAB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(C)c1 16689744 QTKISAWFEHVDFT-LJQANCHMSA-N 432.542 2.692 0 40 IFAB COc1cccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 16751894 QBAQAFGVMQVYKL-KRWDZBQOSA-N 449.525 2.551 0 40 IFAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C(=O)c1c[nH]c2ccccc12 17200789 BDXIBJQHKCMADF-UHFFFAOYSA-N 431.500 2.687 0 40 IFAB O=C1CCc2cc(S(=O)(=O)Nc3cc4c(cc3Br)OCCO4)ccc2N1 18707698 AUBIJVSAXRNSLW-UHFFFAOYSA-N 439.287 2.906 0 40 IFAB Cc1cnc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccc(F)cc2)cn1 19238972 DWNREEZPFOHSTE-LJQANCHMSA-N 430.443 2.783 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cn2cncn2)C1 19579219 MGYCDPHFTGAFMD-QHCPKHFHSA-N 437.569 2.946 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1 19707205 KFZVYTIMIISWMI-GOSISDBHSA-N 441.532 2.944 0 40 IFAB CNc1nc([C@H]2CCCN(CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1CNCC2 19710474 LSPCYEBZLBWHDF-FQEVSTJZSA-N 436.604 2.781 0 40 IFAB CN(C)CC[C@H]1CCCCN1C(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O 19750722 BIEPLYBOKBYTIL-LJQANCHMSA-N 428.508 2.573 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 19764915 BUGORQXDFJCOPW-FQEVSTJZSA-N 436.491 2.955 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 20011983 JMHGTKXZJLZRDV-CYBMUJFWSA-N 441.347 2.956 0 40 IFAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)Nc1nc2c(s1)CN(C)CC2 23606917 GKVKBGADBRCYKO-HNNXBMFYSA-N 434.587 2.630 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCOCC2)c1 25290400 JKRVKMPUSWLICE-FQEVSTJZSA-N 430.936 2.642 0 40 IFAB CN(CCOc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 26351671 BVAODFRSMCHCPQ-NRFANRHFSA-N 433.867 2.784 0 40 IFAB CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cn1 30860802 CCABLIPACCGGDD-UHFFFAOYSA-N 428.558 2.785 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 31530781 QHQVFAVUPHINAA-UHFFFAOYSA-N 448.585 2.613 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 32655824 BDEKARPSFLWOMV-UHFFFAOYSA-N 429.542 2.825 0 40 IFAB CCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 33645410 JYYXBXUBNWOMNS-UHFFFAOYSA-N 434.558 2.737 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)N(C(C)=O)CC2 35314773 RPKYAKVNXVVVOD-HSZRJFAPSA-N 436.464 2.811 0 40 IFAB COc1ccc(CNC(=O)CCn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)cc1 35424071 TXNLHDVMVAFEFQ-UHFFFAOYSA-N 436.468 2.610 0 40 IFAB COc1cc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)ccc1OC(C)C 44905335 UTDKKPKABDDEAL-HXUWFJFHSA-N 448.541 2.716 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1 58154943 OPWQAKZKBOBBKO-HDICACEKSA-N 426.561 2.645 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1 67322751 DACOROUENLFWLK-UHFFFAOYSA-N 427.848 2.918 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 77192016 AJNOAIKVQPRDJW-GOSISDBHSA-N 437.525 2.860 0 40 IFAB COc1cc2ncn(CC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)c2cc1OC 95472834 SAYVYNMNQOJQMQ-UHFFFAOYSA-N 435.484 2.661 0 40 IFAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1cc(-c2cccs2)n[nH]1 96096617 TZYHQSMLKVEGDF-UHFFFAOYSA-N 426.527 2.990 0 40 IFAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103486 DAKPXQAIBFNSGL-KRWDZBQOSA-N 445.928 2.515 0 40 IFAB CCN1CC2(CCN(C(=O)COc3ccccc3)CC2)COc2ccccc2S1(=O)=O 96145119 FWPWEPJTWILCPU-UHFFFAOYSA-N 444.553 2.777 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100138194 CHVKMGCJFNTZNM-HUUCEWRRSA-N 446.511 2.744 0 40 IFAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)CC1 100237711 UHRDAPYWOHFAAA-QKLQHJQFSA-N 442.560 2.736 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 100777838 WNYSZEZUHUALTK-ZUVQJFRASA-N 442.519 2.931 0 40 IFAB biogenic O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)C1CCCC1 100819994 ALWBCCCFWXWZJW-SJLPKXTDSA-N 441.553 2.785 0 40 IFAB Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224318074 GQYHLKYAIBYSSX-UHFFFAOYSA-N 449.960 2.811 0 40 IFAB COc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1F 224424386 RCTLRIRXCCZQHR-UHFFFAOYSA-N 436.505 2.818 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225016672 MKNUCHSEFMFFJX-OAQYLSRUSA-N 447.557 2.715 0 40 IFAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCCCN3CCOCC3)n2)cc1 225201425 PIENKTMQLPWDOQ-UHFFFAOYSA-N 430.578 2.936 0 40 IFAB Cc1cccc(CN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@@H](C)C(=O)NC(C)C)c1 225510534 ZZWIKXMPFNGCBT-SESVDKBCSA-N 439.556 2.578 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225736060 RZTQFAAMKUHXME-CYBMUJFWSA-N 430.404 2.714 0 40 IFAB O=c1[nH]c2ccc(F)cc2c(=O)n1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 225762241 QRGCXYVZNRRPJC-UHFFFAOYSA-N 443.909 2.570 0 40 IFAB O=C1COc2ccc(Cl)cc2CN1CCNS(=O)(=O)c1cccc2cccnc12 238968872 ZFFWANYWEMYVLR-UHFFFAOYSA-N 431.901 2.588 0 40 IFAB COc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)c1O 257243747 IIJZMFCGCJRYSD-IIDMSEBBSA-N 437.290 2.601 0 40 IFAB Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)CCn4c(C)cc(C)nc4=O)CCO3)n2)n1 257278435 OCGYCAOAVUFTBK-FQEVSTJZSA-N 448.527 2.692 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)c(C)n1 257335193 YJAJOKSQHPVKCK-GOSISDBHSA-N 442.545 2.816 0 40 IFAB Cc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 306142572 XDNHAUNNAALRLY-UKILVPOCSA-N 429.524 2.577 0 40 IFAB CN(C)c1cccc(C(=O)N[C@H]2CCOC[C@]23CC(C(=O)Nc2cccc(F)c2)=NO3)c1 306143699 YJSWRPZTZCILHW-NZQKXSOJSA-N 440.475 2.564 0 40 IFAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N1CCc2ccc(C(F)(F)F)cc2C1 1260613466 JUWJNYFQXVBGLO-UHFFFAOYSA-N 425.388 2.807 0 40 IFAB COc1cc2cc(C(=O)N[C@H](C)C(=O)NCCc3ccccc3)[nH]c2c(OC)c1OC 1629324851 UCFWILKSSYVBRE-CQSZACIVSA-N 425.485 2.671 0 40 IFAB Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc1 3284037 NGXOVAGQKOGZFQ-KKSFZXQISA-N 440.496 2.726 0 40 IFAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)cc2c1 6148968 OZECXOVGFVIECL-WIYYLYMNSA-N 438.532 2.524 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)Nc1ccccc1)OCCO3 6446624 GYZSRNAJMQESCP-UHFFFAOYSA-N 425.510 2.881 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2nc(N)c3ccccc3n2)C(C)C)c1 8708062 DPAYUBZPYBBEPZ-FQEVSTJZSA-N 438.484 2.727 0 40 IFAB O=C(CCn1c(=O)oc2ccccc21)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 8768480 JFJSGHGQOJNQLN-UHFFFAOYSA-N 449.463 2.826 0 40 IFAB Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n(-c2nc(O)cc(C(C)C)n2)n1 9038575 CWNNFTIHMLHYLU-UHFFFAOYSA-N 447.499 2.578 0 40 IFAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4CCc3ccccc3)n(C)c2=O)c1 9308776 QCCZRJALKXLBMJ-UHFFFAOYSA-N 429.524 2.706 0 40 IFAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)NC[C@H]3CCCO3)o2)cc1 9518582 AAWZAAIXKDAXFX-MRXNPFEDSA-N 432.546 2.684 0 40 IFAB COc1ccc(CC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1OC 9626738 NUHUVTXZHDVXTH-UHFFFAOYSA-N 427.482 2.746 0 40 IFAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)cc1 9953067 YKVGSELFCMINGY-UHFFFAOYSA-N 436.468 2.751 0 40 IFAB COc1ccccc1N(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccc(C)cc1 10450112 USHCOMKSZKJFGB-UHFFFAOYSA-N 445.585 2.801 0 40 IFAB CCOc1ccc(-c2nnc3n(Cc4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10970076 MXIZYJNRCCJOQT-UHFFFAOYSA-N 444.495 2.504 0 40 IFAB COc1cccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 11244214 SCUBRXACHRPRGD-UHFFFAOYSA-N 435.473 2.661 0 40 IFAB O=C(c1ccc(Br)o1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697660 MQILEBLIQRHYEZ-UHFFFAOYSA-N 429.278 2.933 0 40 IFAB CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859227 KYIWLCVIVOVHDH-SUNKGSAMSA-N 425.201 2.575 0 40 IFAB COc1ccccc1CC(=O)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 12182245 VMYYZNZTSSAMIX-IBGZPJMESA-N 447.491 2.881 0 40 IFAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OC 12908930 AGKSRPVRLDEJJR-UHFFFAOYSA-N 432.542 2.857 0 40 IFAB CC(=O)N[C@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 13084931 KYOWRUKWDCMHMN-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB COc1cccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC 13734048 UASAJKZYTLTOBP-UGKGYDQZSA-N 440.521 2.948 0 40 IFAB O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1nnc(SCc2ccccc2)s1 16806251 DITNQGRWJUCZBS-FSDCSDTHSA-N 440.550 2.966 0 40 IFAB COc1ccccc1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 19497307 HBWMBSHLITYODN-CALCHBBNSA-N 440.544 2.616 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCO[C@@H](c3nccnc3-c3ccccc3F)C2)c(C)n1 19693356 GPVNYJJGCCTDQZ-GOSISDBHSA-N 445.520 2.960 0 40 IFAB COCCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19740525 CRKRBKOKJXGUBJ-IBGZPJMESA-N 438.528 2.973 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Br)cc2F)Oc2ccccc21 20041360 ZDCJQPKJOUZYBI-HNNXBMFYSA-N 429.267 2.754 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cccc(C)c1 20801362 JGQSGLPHHUCJOI-YADHBBJMSA-N 434.540 2.519 0 40 IFAB CN1C(=O)c2ccc(C(=O)OCc3cc4c(cc3Br)OCCO4)cc2C1=O 21372189 XSJNMKLDLOBUOB-UHFFFAOYSA-N 432.226 2.803 0 40 IFAB CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 22615075 SCPUNCCAVBBECG-DZGCQCFKSA-N 430.530 2.605 0 40 IFAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CC(=O)N(C)C)CC2)cc1 22915476 VDHGHAGFXKINSI-UHFFFAOYSA-N 433.556 2.754 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)c1 23111783 YDVLJPDQIBWLHI-UHFFFAOYSA-N 434.543 2.734 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc(CN3CCCC3=O)cc2)N2CCOCC2)cc1 23817892 LIJOTVDXJDJYMU-HSZRJFAPSA-N 437.540 2.621 0 40 IFAB O=C1COc2ccc(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)cc2N1 23995731 XKDHWEAPEAUGGW-UHFFFAOYSA-N 436.331 2.800 0 40 IFAB O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)C(F)(F)F)[C@@](O)(c2ccc(F)cc2)N1 27754466 HBVOHZHYHIVVHP-RKVPGOIHSA-N 426.322 2.501 0 40 IFAB COc1ccc(-n2ncc(C(=O)NC[C@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 27838646 WWQIITOKCUWYTA-CQSZACIVSA-N 446.433 2.946 0 40 IFAB CCn1nnc2cc(C(=O)N3CCN([C@@H](C(=O)OC)c4ccccc4Cl)CC3)ccc21 32882064 YUFVRKKRMBOQFM-HXUWFJFHSA-N 441.919 2.777 0 40 IFAB C[C@@H](NC(=O)CSCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 32907778 GNLUTECKODFHEL-CQSZACIVSA-N 426.494 2.664 0 40 IFAB COc1cccc(N2CCN(C(=O)[C@@H]3C(=O)N(C)[C@]4(C)C[C@H]3c3ccccc3O4)CC2)c1 35127775 UWDNVDPAGAVDFS-XTJBDQBJSA-N 435.524 2.715 0 40 IFAB Cc1cc(C)nc(Nc2nc(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)cs2)n1 49029507 KMWKQIAJRBSDSU-UHFFFAOYSA-N 431.547 2.941 0 40 IFAB CCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(OCCOC)c(C)c1)Cc1ccccc1 57991052 HPVXZABVOQBUGD-LJQANCHMSA-N 435.542 2.721 0 40 IFAB O=C1CSC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 58141537 GMUCIPLBFFIMIJ-UHFFFAOYSA-N 434.495 2.844 0 40 IFAB COc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1OC 67316795 WQJQIJAOBANLNO-UHFFFAOYSA-N 441.459 2.549 0 40 IFAB O=c1c2sccc2n(Cc2cc(=O)n3ccccc3n2)c(=O)n1CCc1ccccc1 71327799 LDYDAGUUIOXTBD-UHFFFAOYSA-N 430.489 2.524 0 40 IFAB Cc1ccn(C[C@H](C)C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2cccnc2)n1 72351540 NVBIGIMGQYRNHT-MBSDFSHPSA-N 431.540 2.802 0 40 IFAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 72358694 NTBIQXJOKAKBTG-KRWDZBQOSA-N 440.500 2.950 0 40 IFAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1c(C)nn(-c2ccc(F)cc2)c1C 72401989 NLGDRCHRSGOIFC-KRWDZBQOSA-N 430.432 2.864 0 40 IFAB COc1ccc(/C=C/C(=O)NCCn2nc(C3CC3)n(-c3ccccc3)c2=O)cc1OC 77197965 DJTGTGGUNVVDNN-UKTHLTGXSA-N 434.496 2.758 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1(N2CCOCC2)CCCC1 78879180 YORXHAGGXQUURF-ICSRJNTNSA-N 431.552 2.828 0 40 IFAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 89274598 AYMWCYMPGOMMCH-HXPMCKFVSA-N 441.937 2.573 0 40 IFAB Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1S(=O)(=O)NCc1ccccc1 95466513 FXRJAIMDHMSBDZ-CTNGQTDRSA-N 427.570 2.640 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)CCCn4cnc5ccccc5c4=O)C3)cc2n1 100137986 PGTWFUKTTGQGQG-KRWDZBQOSA-N 446.511 2.640 0 40 IFAB O=C(NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CC1)[C@@H]1Cc2ccccc2CN1 101375653 NTLOSRFHIIJIAF-IHIBHSRISA-N 449.551 2.566 0 40 IFAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]16CCN(Cc1ccccc1)CC[C@]56[C@@H]2[C@H]43 104287723 CKKYAHQBURBLEC-DSEUSYJLSA-N 438.531 2.685 0 40 IFAB C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C 105311573 KRNGJMMSVZBNAO-HEHGZKQESA-N 425.323 2.806 0 40 IFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 108067559 KKDMISMDIBDVSH-BMGDILEWSA-N 448.361 2.567 0 40 IFAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1C 169138013 JGRWTPAYFWADJW-UHFFFAOYSA-N 429.542 2.944 0 40 IFAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)CC)s2)cc1OCC 223100391 DEWHZAVHLXKDKT-LLVKDONJSA-N 428.536 2.724 0 40 IFAB COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)CC1 225745744 YSUWXLVZGLCTGW-UHFFFAOYSA-N 446.550 2.685 0 40 IFAB CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1 408614550 DPDLAJBZTLGAEY-CYBMUJFWSA-N 446.301 2.566 0 40 IFAB COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)s1 524733912 CRXXIONVWASPJK-IBGZPJMESA-N 449.492 2.828 0 40 IFAB O=C(N[C@@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 540954629 NGDJKZYNWZWPGN-IAGOWNOFSA-N 439.470 2.511 0 40 IFAB COC1(CC(=O)N2CCO[C@]3(C2)C(=O)N(Cc2cccnc2)C[C@H]3c2ccccc2)CCC1 2055793393 WZFSNHBFHNPHIY-NVQXNPDNSA-N 449.551 2.764 0 40 IFAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)NC(=O)CN1CCCC1=O 3348465 ROSGFLIGHCLMRM-UHFFFAOYSA-N 426.523 2.716 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 3542801 UCAICHMTTDEMOC-UHFFFAOYSA-N 430.482 2.694 0 40 IFAB CCN(CC)CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=S)NCCCN(C)C 4133736 PEHXFVQXVOSSNM-UHFFFAOYSA-N 431.650 2.807 0 40 IFAB O=C1N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 8741791 BODOZRWTHTUGOG-HEHGZKQESA-N 444.207 2.948 0 40 IFAB CCn1c(C)cc(C(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)c1C 8746307 XCNWTKKHCVGMGJ-UHFFFAOYSA-N 433.512 2.749 0 40 IFAB CCc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1=O 9222671 FPLXZQINUWOZHA-SFTDATJTSA-N 440.565 2.818 0 40 IFAB NC(=O)COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1 9409534 YELHAMZDHHNJDO-XXBNENTESA-N 447.472 2.693 0 40 IFAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccc(F)cc1 9515128 IJMCEPAVRLXNNT-UHFFFAOYSA-N 438.908 2.975 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 9584537 QXZKVLDJZVYRCZ-UHFFFAOYSA-N 435.509 2.568 0 40 IFAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3Cc2ccc(Cl)cc2)n(C)c1=O 9707479 XFBAYADUSYLWDJ-UHFFFAOYSA-N 434.887 2.512 0 40 IFAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N1CCC(Cc2ccccc2)CC1 9726765 GKZBBVARHXQNQD-SFHVURJKSA-N 449.598 2.620 0 40 IFAB CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)cc3)nn2)cc1 9852996 GUPODOQQFNEADL-UHFFFAOYSA-N 429.498 2.908 0 40 IFAB CS(=O)(=O)c1ccc2nc(N(Cc3cccnc3)C(=O)C3=COCCO3)sc2c1 10528975 LJQWMEKSSZVWCM-UHFFFAOYSA-N 431.495 2.516 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12236870 AFZCQWCTPQWRQO-CALCHBBNSA-N 436.560 2.579 0 40 IFAB CN(CC(=O)Nc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)s1 12806504 VUUPBZYSKFYUIT-UHFFFAOYSA-N 427.935 2.553 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2CN2CCCC2)n(C)c1 12857729 LVFVKAPDQHPDMG-UHFFFAOYSA-N 432.590 2.581 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12915529 VIIIGYXSRIIOTF-UHFFFAOYSA-N 432.590 2.622 0 40 IFAB CC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 13084928 KYOWRUKWDCMHMN-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB CCCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1=O 13847932 GWMCPPRLDDIJKY-LJQANCHMSA-N 443.569 2.795 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 14888371 NOSKEQHIUQPOJW-UHFFFAOYSA-N 448.476 2.706 0 40 IFAB COc1cc([C@H]2O[C@H](C)Cn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 15106201 PQMKEIHMJPKBMK-QKFKETGDSA-N 447.491 2.928 0 40 IFAB O=S(=O)(c1ccc(OCCSc2ccc3c(c2)OCCO3)cc1)N1CCOCC1 16561528 BBAGDEXPABOYOC-UHFFFAOYSA-N 437.539 2.650 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)OC)cc1Cl 16692741 QPGZPCKUWZANEP-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1ccc(N3CCOCC3)c3nonc13)[C@@H]2C(=O)O 17094834 AQSHUXMEBUYNTN-QIZIZJAASA-N 426.473 2.691 0 40 IFAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(CCOc3ccccc3)CC2)CC1 18121572 QETIULRSUFQDTP-UHFFFAOYSA-N 427.570 2.824 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 18223028 QBFIHIMIERYUPQ-NRFANRHFSA-N 435.480 2.817 0 40 IFAB CCn1ncc(S(=O)(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)c1C 19524002 WYQUWYOXJLGHAE-PVXIVEMSSA-N 446.499 2.894 0 40 IFAB COc1ccc(CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)cc1OC 19560744 SKJDYEAUDVPPKX-HXUWFJFHSA-N 428.533 2.512 0 40 IFAB COc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1S(=O)(=O)N(C)C 19603682 KSWPYSQWSRCRNH-UHFFFAOYSA-N 426.878 2.622 0 40 IFAB COc1ccccc1C(=O)N/C(=C\c1cn(C)c2ccccc12)C(=O)N1CCN(C)CC1 20100507 UKCABXYPTXYYFJ-PGMHBOJBSA-N 432.524 2.732 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccccc1OC 20328435 UKCUYXCOIDDIAR-HXUWFJFHSA-N 444.509 2.649 0 40 IFAB CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 22285895 ZORPVNMLWUHTSF-SPLOXXLWSA-N 435.546 2.556 0 40 IFAB O=C(NCCCN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 22510080 LMDFBVOINWXGTO-UHFFFAOYSA-N 442.025 2.874 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 22560803 ONRUCTLSVQYHKA-INIZCTEOSA-N 437.496 2.517 0 40 IFAB CCOc1ccc(NC(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1 25286245 BHZNJUATQUUHHV-UHFFFAOYSA-N 428.558 2.956 0 40 IFAB COc1ccc(NC(=O)[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 32074606 OPTKGLZSULSDDV-AOMKIAJQSA-N 439.512 2.836 0 40 IFAB C[C@@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cccc2[C@H]1C 36387062 UUILXVLLKFPRLU-HOTGVXAUSA-N 429.542 2.759 0 40 IFAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 38828436 AUGWQUXFVSSKIN-XEZPLFJOSA-N 425.489 2.610 0 40 IFAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)o2)cc1 39404201 XEQRAWZRSQTVIZ-UHFFFAOYSA-N 441.509 2.885 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 40052220 CNARWEJYXLWHCE-WOJBJXKFSA-N 441.528 2.633 0 40 IFAB COc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)c1 40400150 VYLZLYYMZOLZAX-AWEZNQCLSA-N 449.467 2.904 0 40 IFAB Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)nn2)ccc1F 49406496 VWZLJNVPFBZMNI-UHFFFAOYSA-N 427.505 2.740 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 57414293 LQUMCSSNWJFULE-OAQYLSRUSA-N 440.931 2.943 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(C)ccn1)n2C 57625601 KHZPLZRGPJLUOV-UHFFFAOYSA-N 429.546 2.879 0 40 IFAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)n2N)cc1 58017870 XCZHREQKUYQYLX-XLIONFOSSA-N 436.585 2.839 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(C(=O)N(c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 58218863 YCWGOEOWIHOBSC-UHFFFAOYSA-N 438.571 2.832 0 40 IFAB CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 65565228 ZZGJGFZEFILJTC-LBPRGKRZSA-N 428.910 2.872 0 40 IFAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc23)c1 67235642 HERMQORPUCRMDZ-UHFFFAOYSA-N 446.463 2.821 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 72328031 FCLHNPCGOMPNIA-KDLAUNOPSA-N 427.545 2.597 0 40 IFAB CC(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 72392020 LVPVDECLZUAJKD-GOSISDBHSA-N 430.549 2.680 0 40 IFAB O=c1cc([C@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccncc2)[nH]1 72392979 IWYLANQLRUGFNC-FQEVSTJZSA-N 431.544 2.992 0 40 IFAB Cc1cc(C(=O)N2CCOC[C@H](Oc3ccc(S(C)(=O)=O)cc3)C2)c(C(F)(F)F)o1 77265719 QBPJMLZFAJKCJY-CQSZACIVSA-N 447.431 2.930 0 40 IFAB biogenic,in-vitro CSc1nc(C)c(CCC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c(C)n1 89525994 YOMRZMWGNOQBNZ-CQSZACIVSA-N 430.538 2.820 0 40 IFAB COc1ccc(COCCNC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1 95458876 AUAQDYFVDWNBNS-JOCHJYFZSA-N 444.528 2.800 0 40 IFAB CSCC[C@H](NC(C)=O)C(=O)N1Cc2nc3c(-c4ccccc4)c(C)nn3c(O)c2C1 100215444 RERREPHNUBQXOG-KRWDZBQOSA-N 439.541 2.510 0 40 IFAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1 222573948 QRHIAEWOMNAYEF-INIZCTEOSA-N 448.541 2.776 0 40 IFAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224321739 FXXYGEPFVMYFIW-GOSISDBHSA-N 432.542 2.742 0 40 IFAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(N2CCCCS2(=O)=O)cc1 224384380 OMVUAMPQIYYLEU-UHFFFAOYSA-N 427.570 2.795 0 40 IFAB CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1NC(C)=O 225542755 XUIXNUKNMYWEPR-UHFFFAOYSA-N 449.598 2.678 0 40 IFAB C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@H]21)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 253377104 WAHZCDKYFHPKKJ-DMNLGMSASA-N 439.560 2.515 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)nc2c1CCC(=O)N2CCc1ccccc1 257245677 IQOYBCZBGSKGRK-GOSISDBHSA-N 430.512 2.660 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)cc1 257262548 LLWBMJMBUXXILS-LJQANCHMSA-N 436.556 2.872 0 40 IFAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc(C)ccc1C)S(C)(=O)=O 260888517 BBUHURWSHLALTB-ROUUACIJSA-N 432.542 2.804 0 40 IFAB CN(C)CCN1C[C@H]2N(S(=O)(=O)c3cccs3)CC[C@@]2(c2ccccc2)CCC1=O 306142414 WYXIHSPVKWMMAC-DENIHFKCSA-N 447.626 2.633 0 40 IFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)OC)C1=O 408535351 WAGDRVAGDNRVCC-XNTDXEJSSA-N 437.470 2.627 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408655976 DXGNUUWYZDVGGY-JLMKVHRTSA-N 439.295 2.896 0 40 IFAB Cc1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2N)c1 409163897 ZHHVWGALJIGXFQ-UHFFFAOYSA-N 442.570 2.737 0 40 IFAB Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)[nH]c2c1 530652504 LUGPKZMWTGUIOJ-NTKDMRAZSA-N 446.511 2.973 0 40 IFAB Cc1cc(C)nc(N2CCC3(CC[C@H](CNS(=O)(=O)c4ccccc4)OC3)CC2)n1 585101085 BVQMDQZKGMHLDW-LJQANCHMSA-N 430.574 2.838 0 40 IFAB Cc1cc(N2CC[C@](O)(CN(C)Cc3cccc(OCCN4CCCCC4)c3)C2)ncn1 585274666 ZGZSXLMLPYWSJH-VWLOTQADSA-N 439.604 2.723 0 40 IFAB O=C1CN(C(=O)CN2CCCCCCOc3ccccc3Oc3ncccc3C2)CCN1 643576658 AFUSYZVNVNLERC-UHFFFAOYSA-N 438.528 2.587 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4ccccc4F)C[C@@H]23)n1 1549163041 YDZCMSZVYNYBON-GOSISDBHSA-N 440.479 2.632 0 40 IFAB CN(C)C(=O)CN1Cc2ccccc2CC2(CCN(C(=O)C3CCCCC3)CC2)C1=O 1565552328 ZUNQQAWQZIKULR-UHFFFAOYSA-N 425.573 2.849 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(C(=O)c4ccc5nccnc5c4)CC3)cnc2c1 1848627321 LOKQTYNAPLMFNU-UHFFFAOYSA-N 429.480 2.901 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@H]2C1 1888919443 SFLIEIHTICNOPJ-IRXDYDNUSA-N 429.546 2.979 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 2772208 GPMCDCCEWMKPIM-UHFFFAOYSA-N 437.499 2.902 0 40 IFAB CC(C)(C)NC(=O)NC(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 4371958 PGULMORFOFALEM-GOSISDBHSA-N 425.485 2.715 0 40 IFAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O 5529868 NVDJORDAHOURAX-QGJLOBTQSA-N 426.446 2.928 0 40 IFAB Cc1ccc(CN2C(=O)[C@H]3CCCN3c3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 8666615 SYHWVWWMKAQUHU-OAQYLSRUSA-N 441.553 2.532 0 40 IFAB CCCSc1nc(NCCOC)c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2n1 8794962 SIVUCWNGNYSXAM-UHFFFAOYSA-N 446.552 2.885 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2cc3c4c(c2)c(C)cc(=O)n4CCC3)cc1OC 9031707 UJBBWKUUSKLILJ-UHFFFAOYSA-N 442.537 2.794 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518870 DUWQWUKKESSJKO-UHFFFAOYSA-N 433.464 2.856 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cccc(OC)c3)n2N)c1 9716042 ZMPIPKZGULVLJR-UHFFFAOYSA-N 447.586 2.990 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 9869669 RBSQQUWYUGNZGC-NRFANRHFSA-N 436.489 2.718 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9885489 PLVICBXVZOHLST-KRWDZBQOSA-N 443.525 2.523 0 40 IFAB O=C(CSc1nnnn1Cc1ccco1)Nc1ccnn1Cc1cccc(Cl)c1 11315240 TZRHRGNTPKOEGT-UHFFFAOYSA-N 429.893 2.943 0 40 IFAB CCOc1ccccc1NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 11845015 PMKBLDIMTDYQFW-UHFFFAOYSA-N 432.480 2.738 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(Cc2cccc3ccccc23)CC1 12567386 NAUYEBGIYLJDLH-GOTSBHOMSA-N 431.536 2.825 0 40 IFAB C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)NCc1ccccc1Cl 12894506 NLNJIOJVMJSSQC-CQSZACIVSA-N 436.917 2.742 0 40 IFAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)c(C)c1 13113143 IIECQUWAFCBLMZ-OAHLLOKOSA-N 446.577 2.827 0 40 IFAB O=C(CCSc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 14201306 INKMVQATNLUKSP-UHFFFAOYSA-N 426.510 2.980 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 14245851 VVRZYAAZHPSTHP-BHIYHBOVSA-N 449.617 2.968 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(OC)c3)CC2)cc1 14247290 BIJBYMZAYKETCB-SFHVURJKSA-N 445.585 2.981 0 40 IFAB Cc1ccc(SCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 14803384 MBRBNNXJVQHLEO-UHFFFAOYSA-N 434.583 2.846 0 40 IFAB C[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br 15686652 PYEANKCHPQFRQE-GFCCVEGCSA-N 436.331 2.755 0 40 IFAB O=C(CSc1nnc2nc(O)cc(-c3ccccc3)n12)N1CCN(c2ccccc2)CC1 15881763 XHVDIJGKSBZCLQ-UHFFFAOYSA-N 446.536 2.938 0 40 IFAB NC(=O)[C@H]1CN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2ccccc2O1 16097472 LUXITYKLSMRIHT-HXUWFJFHSA-N 425.448 2.827 0 40 IFAB CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)CCc3ccccc3)[C@@]21C 19450037 HMUKPNRJKYRVSW-BPYKYCOYSA-N 432.524 2.869 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)nc2c1CCC(=O)N2CCC(C)C 19741724 XFTWTYZVLQRYQD-IBGZPJMESA-N 437.544 2.786 0 40 IFAB CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)NCc1ccccc1 19767023 PTJZDEOHBXDLLT-FQEVSTJZSA-N 445.589 2.829 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 19900201 ITOWPZINFBBHIM-JOCHJYFZSA-N 441.597 2.740 0 40 IFAB COc1cc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc(OC)c1OC 20100688 PMWNBVQXCNNRNG-UHFFFAOYSA-N 445.541 2.671 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 20106566 XEBKKIYKAZIVJT-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2CN(C)C)ccc1OC 21938323 DTRHFRDDGYYCLF-UHFFFAOYSA-N 433.574 2.717 0 40 IFAB O=S(=O)(c1cccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 22241031 AMKLMDJCDKMBKB-NRFANRHFSA-N 444.553 2.816 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 23074158 UHLXVTQTXAMCAI-FQEVSTJZSA-N 446.525 2.706 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 25345790 QLJYOKQSBGPMKN-UHFFFAOYSA-N 427.501 2.970 0 40 IFAB O=C(NCc1cccnc1N1CCOCC1)c1cnn(-c2ccccc2F)c1-n1cccc1 30309692 ROPYRPKJJUOKCT-UHFFFAOYSA-N 446.486 2.964 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N(C)Cc1cccs1 39990651 DRKBKUPBBWANHJ-JOCHJYFZSA-N 437.569 2.682 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 40399183 HGQLEYXICMPQSG-MRXNPFEDSA-N 432.440 2.536 0 40 IFAB CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)cc1 44880309 RGGFDPOJOYZLKF-NRFANRHFSA-N 432.542 2.738 0 40 IFAB CC(C)Oc1cccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44882708 OMJVXBOMDCKOFZ-LJQANCHMSA-N 438.933 2.971 0 40 IFAB O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NC1CCCCCCC1 44916652 FSQIOGUEEVUEIE-UHFFFAOYSA-N 437.588 2.795 0 40 IFAB O=C(c1snc2c(=O)n(Cc3ccc(F)cc3)c(=O)[nH]c12)N1CCc2ccccc2C1 49409924 ZYWDTBPGLVNJIW-UHFFFAOYSA-N 436.468 2.532 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C[C@@H]3CCCO3)cc2c1 57643391 DMQLXFASHKYSIB-IBGZPJMESA-N 434.500 2.646 0 40 IFAB O=C(NCCCC(=O)N1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1)C1CC1 58023268 MKCURMIEBBLFRE-UHFFFAOYSA-N 425.451 2.686 0 40 IFAB O=C(NC[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 60369352 PQPRQFBKFDUROV-AEFFLSMTSA-N 430.524 2.834 0 40 IFAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NC1CCN(c2ccccn2)CC1 70010605 ZUJKLNLQHCXIQA-RUZDIDTESA-N 447.539 2.556 0 40 IFAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccc(Br)c1 70933504 OCCUJKDAQJOXGL-UHFFFAOYSA-N 438.347 2.675 0 40 IFAB C[C@H](O)C[C@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 89895231 VJQLMTWIDHYBCW-DOTOQJQBSA-N 438.571 2.714 0 40 IFAB COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 89919282 WNSCZWSGMRWXFJ-OXQOHEQNSA-N 442.965 2.976 0 40 IFAB Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(-n4cnnn4)ccc3Cl)cc2F)c1 95466364 GEUKTQZDNJGQON-UHFFFAOYSA-N 433.856 2.750 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCC(Oc2ncccc2Cl)CC1 96096867 HRMZLJZFIYZIQN-CYBMUJFWSA-N 446.960 2.887 0 40 IFAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(C(=O)c2cn(CC)nc2C)C3)c(OCC)n1 100152879 NJNSYFGRMGUZNS-IRXDYDNUSA-N 443.548 2.559 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)c2ccc(C)cc2)cc1 113933251 LXUXIYVYQXKUAP-UHFFFAOYSA-N 445.585 2.753 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222436030 IYBCTKFBLFEFLY-LJQANCHMSA-N 445.585 2.559 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222738770 BDXMRPJOPOUUOZ-KXBFYZLASA-N 448.541 2.888 0 40 IFAB C[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)CCC2 223186527 RSNOCPPYJQHGCP-HNNXBMFYSA-N 430.526 2.590 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C(=O)N1CCCC1 225039196 RDQAYLPFDLDWGR-UHFFFAOYSA-N 447.538 2.645 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)ccc21 225125017 DBUXYXCRMPYVMU-UHFFFAOYSA-N 437.518 2.622 0 40 IFAB CCCCOc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)O)cc3)C2)cc1 257273782 NIEBGVIPVVGRDC-FGZHOGPDSA-N 442.512 2.555 0 40 IFAB C[C@H]1Cc2ccccc2N1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 260816673 YUJVPHXJXOMRGJ-INIZCTEOSA-N 435.977 2.918 0 40 IFAB C[C@H](C(=O)NCCCNC(=O)[C@@H](C)N1CCc2ccccc2C1)N1CCc2ccccc2C1 553180864 LJESJNJRWPLXPH-NHCUHLMSSA-N 448.611 2.503 0 40 IFAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccc(OC(F)F)cc3)C[C@@H]12 1549160115 ASNDUQYUFSKQIN-GOSISDBHSA-N 435.471 2.696 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccc(OC(F)(F)F)cc2)nn1 1889061996 KMTVZZUCFJPOBY-AWEZNQCLSA-N 427.408 2.522 0 40 IFAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 667290 OFHXTNSWQOYDBG-UHFFFAOYSA-N 440.949 2.978 0 40 IFAB COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 1357993 NZJHHLLTJRLKHY-UHFFFAOYSA-N 432.440 2.510 0 40 IFAB CCS(=O)(=O)Nc1ccc(OCCOc2ccc(NS(=O)(=O)CC)cc2)cc1 1664668 FJFOHJOEPMPQQE-UHFFFAOYSA-N 428.532 2.668 0 40 IFAB COC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)C(F)(F)F 2576315 UXZAEOXFCAKKTD-QMMMGPOBSA-N 449.017 2.680 0 40 IFAB COc1ccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC 8441418 OKIJXRJWFMQZJO-VAWZGJIGSA-N 436.501 2.647 0 40 IFAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccc(F)cc4)CC3)N2)cc1 8758253 YWCLTHXCJLXWJU-OAQYLSRUSA-N 437.519 2.954 0 40 IFAB O=C1c2ccccc2C(=O)N1OCC(=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 8762123 SMZNEMOZGZRKGT-IVZQSRNASA-N 430.416 2.891 0 40 IFAB CC(C)(C)c1cc(NC(=O)CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)on1 8945349 YLELMYKXGWFJCZ-UHFFFAOYSA-N 428.489 2.990 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccccc2O)cc1 8972034 VRISDNOVBZZIIK-QFIPXVFZSA-N 433.464 2.540 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)c1 9190127 WUKMYDOOPORTFC-WMLDXEAASA-N 431.562 2.792 0 40 IFAB COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 9218491 DZSTVIVVIOJITG-IBGZPJMESA-N 435.567 2.562 0 40 IFAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 9341101 NPTSWHJFWNJQBM-HNNXBMFYSA-N 444.538 2.933 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 9547830 MAWVZQVYLFQARL-SFHVURJKSA-N 443.525 2.887 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1F 11375671 MUODTSRFRQKODY-RDJZCZTQSA-N 449.552 2.861 0 40 IFAB Cc1ccccc1OCC(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11913998 NOZUOQSBIILBSU-AWEZNQCLSA-N 442.331 2.945 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 11997532 AHBQPSOEGOVOEY-UHFFFAOYSA-N 435.310 2.861 0 40 IFAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(Br)cc3)nc21 12080845 YSGJBYCWWXVCLV-UHFFFAOYSA-N 440.257 2.646 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12116120 KHXYJTVSOSBPSE-SFHVURJKSA-N 438.509 2.851 0 40 IFAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)cc2c1 12322721 YVICYWDKKXZVIZ-UHFFFAOYSA-N 436.464 2.538 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n(N)c2=O)cc1 12348221 MOTODBADQHXCCQ-UHFFFAOYSA-N 445.932 2.644 0 40 IFAB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2ccccc2n1 12536380 KBDYCKBCFRWPTC-UHFFFAOYSA-N 440.525 2.940 0 40 IFAB C[C@@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 12555926 VEVZSWDOOJREDX-QGZVFWFLSA-N 445.560 2.678 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)/N=c3/sc4ccccc4n3C)CC2)cc1 13037165 IRWGSUNONLUJBG-QURGRASLSA-N 445.566 2.777 0 40 IFAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cn1 13098723 ZKSBMDNRQWLLPO-BETUJISGSA-N 439.921 2.794 0 40 IFAB Cc1ccccc1C(=O)NCCC(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 13120688 XHUTWDQKLCXOGR-QFIPXVFZSA-N 435.524 2.922 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSC1=N[C@@H](c2c[nH]c3ccccc23)NC(N)=N1 13579096 XZALUMMUCXTOIM-SFHVURJKSA-N 436.497 2.599 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2cccc(OC)c2)cc1 15391162 HLHIIXVJXRXVSW-SFHVURJKSA-N 432.542 2.954 0 40 IFAB CN(CC(=O)NC(=O)NC1CCCC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 16625517 GPZMWBJIYXSZTD-UHFFFAOYSA-N 434.846 2.998 0 40 IFAB COc1cc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 16751880 QYNULFCQWCSZCC-QGZVFWFLSA-N 437.489 2.681 0 40 IFAB Cn1c(=O)c2c(nc3n2CCN3c2cccc(OC/C=C/c3ccccc3)c2)n(C)c1=O 17148756 XWKBBVIGXZRLQW-JXMROGBWSA-N 429.480 2.678 0 40 IFAB COC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)cc1 17588297 BXPUBAJBJDCSIN-SFHVURJKSA-N 436.917 2.815 0 40 IFAB COc1cc(C(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc(OC)c1OC 19020411 PCNSCBIKJQIQCU-NRFANRHFSA-N 427.501 2.837 0 40 IFAB O=S(=O)(c1cccc2nsnc12)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 19079136 PYLJHWLSTUOGAK-UHFFFAOYSA-N 441.538 2.853 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3CCCO3)[nH]c(=O)c2C1 19238679 UNNMZLDFUWJFHS-LPHOPBHVSA-N 442.585 2.931 0 40 IFAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 19451142 UOMDQQFIPXUBIT-HXUWFJFHSA-N 441.557 2.816 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19528794 LTOVIMIRDQTAIR-QFQXNSOFSA-N 433.552 2.729 0 40 IFAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 19562231 OQYZYEIZSYRAIV-PMACEKPBSA-N 427.497 2.851 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc2c1 19568232 WAGBNQAZTGVCSX-QHCPKHFHSA-N 443.555 2.517 0 40 IFAB CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(CC(=O)Nc2cc(C)on2)C1 19739065 GBFSKQXDJKAJBP-QFIPXVFZSA-N 429.521 2.638 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c(Cl)c1 20040307 LOZCHRHJFCWFPC-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 20062028 GIKUJXZLVBGMSW-UHFFFAOYSA-N 438.933 2.642 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1 21002843 FJNRAUUFXDGEAL-UHFFFAOYSA-N 434.558 2.881 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)N2CCOCC2)cc1 23156036 KBWIFHBECUTUFB-MGPUTAFESA-N 441.553 2.931 0 40 IFAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(Br)c2c(c1)OCO2 28924273 SAFZIICRDYLRHM-SFHVURJKSA-N 432.274 2.515 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C)nn3-c3ccccc3)C2=O)cc1 31634471 NZJFWXVOYRMFKC-QHCPKHFHSA-N 433.468 2.595 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2)C1 32069972 JHHINUWMMFIMHB-TZIWHRDSSA-N 428.492 2.801 0 40 IFAB COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 32736711 FLJFUHOPKKKNAG-CQSZACIVSA-N 443.481 2.681 0 40 IFAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1 35590509 GFSZOSHYKVOEGF-HOTGVXAUSA-N 447.499 2.525 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NC[C@@H]1CCCO1 35596856 UNNBXQILYCSJNA-ZDUSSCGKSA-N 425.514 2.659 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3)cc2C1=O 36188706 UODIQZFDPXUHAA-CQSZACIVSA-N 443.500 2.787 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 44840279 XVSUMRDLGONSSV-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB CSc1nc(C)c(CCC(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c(C)n1 48230800 QYNHLHKMDXQNBJ-UHFFFAOYSA-N 428.606 2.601 0 40 IFAB Cc1ccc(CN2CCc3ncn(CC(=O)NCc4ccc(F)cc4F)c(=O)c3C2)cc1 49400917 ABNIDCXKNWWRAL-UHFFFAOYSA-N 438.478 2.705 0 40 IFAB O=C1CN(CCc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 55408307 ZWJCEVITWDSFKM-RBUKOAKNSA-N 449.370 2.506 0 40 IFAB CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4ccccc4)CC3)=C2C(=O)OC)cc1 57415197 SBDDLUYKKJYDMY-HSZRJFAPSA-N 434.540 2.852 0 40 IFAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCCc1ccc(Cl)cc1 67317029 KPMFHIPJVYSHJE-UHFFFAOYSA-N 431.949 2.856 0 40 IFAB COc1cccc2[nH]c(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)cc12 72338871 HTAFPUOECICGFS-NRFANRHFSA-N 440.525 2.759 0 40 IFAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)c(OC)c1OC 95477262 GRGNXJIERVAKLS-GOSISDBHSA-N 435.502 2.978 0 40 IFAB O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCN(Cc2ccccc2Cl)CC1 96343948 DSRGFYMGBQISNR-QGZVFWFLSA-N 437.931 2.914 0 40 IFAB COCC(=O)N1CCc2c(nc3cc(C4CCN(CC5CCCCC5)CC4)nn3c2O)C1 100232732 XAPGWGMHFJCZKC-UHFFFAOYSA-N 441.576 2.726 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccccc2F)Oc2ccccc21 218789998 HTIRLUMDZGOEPU-LJQANCHMSA-N 438.546 2.792 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222480047 IFFQKUKLEQXGFG-LJQANCHMSA-N 445.585 2.705 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(C)c1 224652718 XDAPTPFFLDMHPK-UHFFFAOYSA-N 435.498 2.857 0 40 IFAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242543550 KFEZPHKSZLBFFM-WOIUINJBSA-N 446.525 2.577 0 40 IFAB O=C(C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1Oc1ccccc1)N1CCOCC1 257214316 CLORBMLUDBFTKV-UGKGYDQZSA-N 426.488 2.984 0 40 IFAB Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257340573 ZGSSQTGMKBIXIH-LJQANCHMSA-N 439.497 2.970 0 40 IFAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC)S(C)(=O)=O 260855977 HXWIPJWWXDUHER-HXUWFJFHSA-N 445.585 2.568 0 40 IFAB COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 306138894 SKGZTOYPPFTCHU-RSXGOPAZSA-N 444.535 2.882 0 40 IFAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)C1 408615631 RJHAZNVQFCTOIO-SFHVURJKSA-N 439.512 2.518 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408658540 LAZKXZQDVCKXHX-HNNXBMFYSA-N 444.871 2.970 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408659710 MSAJEKNBOVVBBE-AWEZNQCLSA-N 430.844 2.661 0 40 IFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Br)c(Cl)c1 408666607 VFCKURZVVHALSU-GKAQULHVSA-N 428.666 2.782 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)c(Br)c1 409135156 VAVCYSRRKNFMLU-ZDUSSCGKSA-N 446.301 2.613 0 40 IFAB CCN1CCN(Cc2ccc(CNC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2)CC1 500641319 IKOINBLRIQHKPG-QGZVFWFLSA-N 437.544 2.865 0 40 IFAB O=C1NCCOCCOc2ccc(C(=O)NCCc3ccccn3)cc2Cc2cccc1c2 643572797 INCSCVOSRVMXNI-UHFFFAOYSA-N 445.519 2.784 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 693380 FFNOISLMCFDMHP-SQWSFHKJSA-N 438.480 2.643 0 40 IFAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 806896 WVPXAEJMDCIVFS-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1cccnc1Cl 2657675 DRODZIYCRYITQI-UHFFFAOYSA-N 449.872 2.602 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1C 2662593 IHWWOQQCDWZFAK-UHFFFAOYSA-N 443.452 2.968 0 40 IFAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 3464085 RWBTWOIHEYQZDF-OAQYLSRUSA-N 429.860 2.907 0 40 IFAB COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 8297679 JDNQDTRQRJSFDB-NRSPTQNISA-N 425.577 2.716 0 40 IFAB biogenic,in-vitro COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 8453236 ALYDLEWQXZEAOS-OXRZLYTFSA-N 426.444 2.686 0 40 IFAB COc1ccc2nc(N3CCN(C(=O)CS(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 8601707 IVWUBDOSOXXLCE-UHFFFAOYSA-N 445.566 2.736 0 40 IFAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1 8708336 AQIKDVNNABDRFJ-UHFFFAOYSA-N 436.560 2.541 0 40 IFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 9282893 LQJDBOBVVOBVEI-UHFFFAOYSA-N 426.878 2.684 0 40 IFAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)c(C)n23)n(C)c1=O 9297077 AOZPAZXFIWJEHR-ZDUSSCGKSA-N 427.892 2.867 0 40 IFAB Cc1cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 9297192 FRTPANRJIXXEHC-LJQANCHMSA-N 443.507 2.838 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9313989 HLRSUOOYGGUJEN-APWZRJJASA-N 430.526 2.878 0 40 IFAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3nnc(C)s3)s2)cc1 9366951 SEVWMXZYPDTGQX-UHFFFAOYSA-N 436.544 2.619 0 40 IFAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccncc1 9451151 FHVZVRJNHXCZMX-UHFFFAOYSA-N 426.893 2.842 0 40 IFAB CCOC(=O)c1cnc(SCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)nc1N 9464850 REELIKZPBRCIHX-UHFFFAOYSA-N 449.876 2.774 0 40 IFAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(=O)n(Cc2ccccc2)n1 9885263 BSWSRJVGQLYTOZ-UHFFFAOYSA-N 447.520 2.990 0 40 IFAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10625486 ULRVXFZYPXNCQY-CQSZACIVSA-N 429.498 2.708 0 40 IFAB O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccccc1 11694569 JGIKFONIXYUEKE-UHFFFAOYSA-N 429.889 2.802 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]2Cn2nnc(-c3cccs3)n2)cc(OC)c1OC 12085249 FMNGQWGGTOMBNU-AWEZNQCLSA-N 429.502 2.732 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1F 12085358 XWCZKWFYFPKYCM-CYBMUJFWSA-N 437.522 2.650 0 40 IFAB COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1OC 12228299 IHEXSFYBLXVUTA-UHFFFAOYSA-N 437.431 2.686 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 12532885 PQYPBKMKKNNNFC-UHFFFAOYSA-N 449.960 2.512 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12766626 BGXICYUVQPHLLY-UHFFFAOYSA-N 425.577 2.918 0 40 IFAB COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)c(OC)cc3OC)C2)CCCCC1 12932346 NRSYNKDVFOHXBL-ZDUSSCGKSA-N 438.908 2.702 0 40 IFAB CSc1ccccc1NC(=O)CN(C)Cc1nc(CNC(=O)c2ccccc2)no1 12999838 JIPOLPNEGFWMSM-UHFFFAOYSA-N 425.514 2.792 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13002797 YCPMKPROKHKGBP-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2ccccc2C)c(=O)[nH]c1=O 13040646 ZFPZDBNYKBLAET-UHFFFAOYSA-N 436.512 2.840 0 40 IFAB CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713426 KTYABCCWKOJTDT-QFIPXVFZSA-N 429.586 2.884 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 14128940 YXNYPCSBJRIYCT-JTQLQIEISA-N 435.980 2.512 0 40 IFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 15781445 DNVGTUSOTCSJIP-UHFFFAOYSA-N 437.543 2.548 0 40 IFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 16847962 CTLIENQCWPAYPJ-MRXNPFEDSA-N 434.518 2.788 0 40 IFAB COc1ccccc1CC(=O)N1CCC(O)(Cn2ncc3cc(NC(C)=O)ccc32)CC1 19022734 OALDVHMMTPTGNI-UHFFFAOYSA-N 436.512 2.600 0 40 IFAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078314 HKVOOVOIECISAI-XUWVNRHRSA-N 435.475 2.983 0 40 IFAB COCCN1C[C@@H](C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)CC1=O 19287064 YJBBODIOQJHDQW-FQEVSTJZSA-N 445.523 2.625 0 40 IFAB CCN1C[C@@H](C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19526875 CCTCIGOKEHPRPQ-UUOWRZLLSA-N 439.581 2.920 0 40 IFAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19528999 VUGSTCMUOFYTDA-SANMLTNESA-N 444.535 2.956 0 40 IFAB COc1ccccc1CCC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694800 HOVHUAWXYYEIOL-GOSISDBHSA-N 432.528 2.957 0 40 IFAB Cc1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1F 19741628 RMBKEGMNIWVTHN-HNNXBMFYSA-N 432.521 2.710 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 20283425 JOJGFLLLLDLUJC-JOCHJYFZSA-N 426.561 2.808 0 40 IFAB COC(=O)c1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 20395727 QZDAIUAOVHKETC-UHFFFAOYSA-N 449.554 2.611 0 40 IFAB O=C(CCN1C(=O)COc2ccccc21)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533199 LCIQKSDPIVCLDD-UHFFFAOYSA-N 448.445 2.955 0 40 IFAB CCc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 25767212 HMADPAHZRWWEHW-UHFFFAOYSA-N 445.585 2.535 0 40 IFAB O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 27664420 DDDPLLOHRYKKSO-IIDMSEBBSA-N 426.322 2.658 0 40 IFAB Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCCN(C)c2nc3ccccc3nc21 29787126 SKOGWNYFFGVBFA-UHFFFAOYSA-N 428.496 2.911 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCc3nnc4ccccn34)CCCC2)c1 32425492 QUCFUEGORRZQKO-UHFFFAOYSA-N 426.542 2.792 0 40 IFAB CCc1c(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cnc2cc(O)nn12 32818993 AKSQYRZJOXNCQV-UHFFFAOYSA-N 438.484 2.953 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 36352722 GUVAERQISXALRH-GFCCVEGCSA-N 439.896 2.721 0 40 IFAB COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 56997605 IUJJCQQFCMBJBP-UHFFFAOYSA-N 429.586 2.675 0 40 IFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 71818928 ZECMAEYDBVAUCA-UHFFFAOYSA-N 427.508 2.940 0 40 IFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)N1CCc2cc(Br)ccc21 71833034 KCKUXZBUJSECBQ-UHFFFAOYSA-N 426.288 2.836 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(Cc3ccccn3)C2)on1 72348049 AKULBWFWBPJRPI-IBGZPJMESA-N 433.560 2.966 0 40 IFAB Cc1cc(NC(=O)Cn2cc(C(=O)Nc3ccc(CN4CCCC4)cc3)ccc2=O)no1 72392209 ZSBSGGQEXNOERO-UHFFFAOYSA-N 435.484 2.632 0 40 IFAB COCCCC(=O)OC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 78822641 NQROAILXUDDGBO-UHFFFAOYSA-N 448.379 2.657 0 40 IFAB COC(=O)c1nc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)sc1CC(C)C 79493052 KOJVAJYAPDTSSE-UHFFFAOYSA-N 430.486 2.538 0 40 IFAB O=C(Cc1ccccc1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1cccnc1 96143122 UTCWVSCRCAVFLR-XMMPIXPASA-N 433.533 2.956 0 40 IFAB CN(C)[C@@H]1CCN(C(=O)c2ncn3c(C4CCN(C(=O)c5ccccc5)CC4)ccnc23)C1 96155749 PJLADWIGHQZSLI-HXUWFJFHSA-N 446.555 2.525 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1c2sc(=O)[nH]c2SC[C@]1(C)C(N)=O 96306079 JBIZMGMZXRGJME-XCLFUZPHSA-N 444.538 2.528 0 40 IFAB O=C(C[C@@H](CNC(=O)[C@@H]1CCCN1)c1ccc(Cl)cc1)NC[C@H]1CC[C@H](C(=O)O)CC1 101426170 OBTFEBVMTLNXEZ-NFBUACBFSA-N 449.979 2.689 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCCCC1 101743860 QDEHMZNVCHSLCL-JENIJYKNSA-N 432.542 2.864 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccccc1I 102881961 CUQKJLNRPOQWPH-RYUDHWBXSA-N 426.254 2.795 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 106022114 DIWBIBLNZXIFIW-DFYYWFRZSA-N 434.279 2.893 0 40 IFAB CSc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)s1 222612164 YBPWTUMKICXKMY-CYBMUJFWSA-N 442.588 2.723 0 40 IFAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc12 222646423 XCTCMEOWBLYDNY-AWEZNQCLSA-N 430.482 2.931 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1OC 222730962 SYTWFVLPCVWDQF-NQIIRXRSSA-N 440.540 2.959 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1C(=O)N1CCOCC1 224913787 MPNZEJIMQQXPBT-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 225080222 KGESJMJKPGHZEA-UHFFFAOYSA-N 447.944 2.813 0 40 IFAB Cn1ccnc1S(=O)(=O)C1CN(C(=O)CCc2cccc(Oc3ccc(F)cc3)c2)C1 225678609 NKGCRZJQRNWTMM-UHFFFAOYSA-N 443.500 2.969 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 260834485 MNPUEVPZOIVUPI-ZBFHGGJFSA-N 436.555 2.797 0 40 IFAB CC(C)CN(C)C(=O)c1ccc2ncc(N3CCN(C(=O)c4cccnc4)CC3)nc2c1 306126475 DXAOHZNFABXPRI-UHFFFAOYSA-N 432.528 2.715 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1OC 408550542 DGSPXFHIMVOWIZ-QGZVFWFLSA-N 446.525 2.946 0 40 IFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1 408650039 AGOIQPBQIMGGJV-LPHOPBHVSA-N 438.480 2.637 0 40 IFAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)NCc2ccco2)C1=O 409211068 KMADXDZHUWPVMI-YVLHZVERSA-N 444.465 2.574 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)N[C@@H]1CCO[C@@]2(CCOC2)C1 540015616 DPGKSADQQRKOJI-SLSDLSHTSA-N 437.540 2.551 0 40 IFAB O=C(NCCN=c1cc[nH]cc1)NCc1ccc(Br)c(Br)c1 1676349584 YLOHXHUYZCDTQE-UHFFFAOYSA-N 428.128 2.940 0 40 IFAB CCOc1ccccc1NC(=O)CS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1792391 UKIRBLLPDUPIGP-UHFFFAOYSA-N 444.509 2.515 0 40 IFAB COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC 2724074 NZWMTFAPGVSLKE-UHFFFAOYSA-N 426.498 2.779 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C1 9335314 VMSMRVWPZXGPGV-ROUUACIJSA-N 444.553 2.826 0 40 IFAB COc1ccc(-c2coc3cc(OCC(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)cc1 9575667 ZKWDZQIJBLFGEO-UHFFFAOYSA-N 436.464 2.571 0 40 IFAB biogenic COC(=O)c1sc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)c(C(=O)OC)c1C 9664748 IZLXRVOYTVUSRB-UHFFFAOYSA-N 444.465 2.835 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(N4CCOCC4)cc3)c(C)n2n1 9670871 BNOZGNPOULUHGQ-UHFFFAOYSA-N 426.546 2.871 0 40 IFAB O=C(c1c(F)cccc1F)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849250 RPCDICAGCYGTDW-UHFFFAOYSA-N 439.401 2.590 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)Oc2ccccc21 10009237 MVLXZCNNFHQZLA-LJQANCHMSA-N 445.541 2.771 0 40 IFAB O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cc1 10031077 TUOHVEUOMISNOZ-UHFFFAOYSA-N 427.885 2.551 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)[C@H](C)Oc5ccccc5)CC4)ncnc32)cc1 11665818 KYTYGLCZXRDSRI-SFHVURJKSA-N 443.511 2.635 0 40 IFAB Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)c1 11696992 SPZLCXNKUYCLID-UHFFFAOYSA-N 428.493 2.574 0 40 IFAB CN(CCCC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 12533576 SHPWXKATUQQYOS-UHFFFAOYSA-N 435.521 2.702 0 40 IFAB COc1ccccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O 12896698 IKGLSQKPYQOTPN-LNEBKTTKSA-N 443.503 2.822 0 40 IFAB O=C(Nc1ccc(O)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 13623925 FZWIMWNARPJVMD-INIZCTEOSA-N 443.525 2.558 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccc(Cl)cc2)cc1 13632543 APZVUEGTHQFZCA-UHFFFAOYSA-N 439.965 2.612 0 40 IFAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 13984931 SLKXRMFOZVUCQU-KRWDZBQOSA-N 427.501 2.766 0 40 IFAB COc1ccc(C(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2ccc(OC)cc2)cc1 14197305 AQDVWZPNVMAVAN-DEOSSOPVSA-N 437.496 2.630 0 40 IFAB C[C@H](C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1)N1CCCC1 19077907 BZWHBIZGLZXWCG-GOSISDBHSA-N 435.572 2.799 0 40 IFAB Cn1nccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19289142 FSDNWFYHXUHWHJ-FQEVSTJZSA-N 438.576 2.809 0 40 IFAB CC[C@@H]1CCCCN1CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 19705820 WIBUTPVHYRRBSF-OAQYLSRUSA-N 428.577 2.525 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)nc2c1CC(=O)N2Cc1cccc(F)c1 19743732 YDJAAIAOPMLHKK-SFHVURJKSA-N 448.502 2.616 0 40 IFAB CSCC[C@@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O 20426557 KAASLVRNIIZCIU-OAHLLOKOSA-N 443.477 2.867 0 40 IFAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(F)cc1 20609349 ZVFLDMNTYPKGIC-QIPHDZALSA-N 428.510 2.999 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1 22866904 CWYPHEFJYLULHZ-UHFFFAOYSA-N 425.913 2.594 0 40 IFAB COc1ccccc1CNC(=O)CCn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O 23125779 VVXRWCFNLMPPNI-UHFFFAOYSA-N 436.468 2.610 0 40 IFAB Cc1ccn(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)/c(=N/C2CCCCC2)c1 23199513 RVPJBNCNMWEUIB-XTCLZLMSSA-N 432.524 2.742 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)cc1Cl 24980720 IPFFBMKANSLYFR-NHYWBVRUSA-N 433.313 2.694 0 40 IFAB NC(=O)c1ccccc1OCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 31638154 XHMHIVMEVNCLSF-UHFFFAOYSA-N 442.825 2.580 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@H]1c1cccs1 32805957 TVIFFJFEJDAXEE-HNNXBMFYSA-N 434.547 2.813 0 40 IFAB COc1cccc(NC(=O)[C@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 34863166 FXDPPCSSWMCCOC-JOCHJYFZSA-N 439.537 2.855 0 40 IFAB O=S(=O)(c1cccnc1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 35598309 GRDIZWJEGDVTLV-UHFFFAOYSA-N 447.564 2.986 0 40 IFAB CCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)s1 36631332 GFGRTQGPQUGQOR-CYBMUJFWSA-N 447.542 2.585 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1OC 44947429 HLAYTRZCYOMQJI-UHFFFAOYSA-N 432.542 2.562 0 40 IFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H]1c1nnc3n1CCCCC3)C2=O 48262944 KHEHDZUXPRXRFA-WCCYLALTSA-N 442.564 2.559 0 40 IFAB O=C(c1cc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c[nH]1)N1CCCC1 58297797 GCSXIKMUTMZGEP-UHFFFAOYSA-N 429.527 2.993 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1cccc(C(=O)N2CCCCC2)c1 84364094 BYIXERLCMGKLAT-ZJOUEHCJSA-N 444.601 2.655 0 40 IFAB CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 95100963 SXLVYXORHYMBFQ-QHCPKHFHSA-N 434.540 2.676 0 40 IFAB O=C(CN(C1CC1)S(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1)Nc1cccc(F)c1 95431834 CWSMNEYLLHLNEW-NRFANRHFSA-N 431.533 2.833 0 40 IFAB C[C@H](O)CC(C)(C)CNC(=O)c1nn(-c2ccccc2I)cc1O 95965537 RVIMCZXLVMWJIT-NSHDSACASA-N 443.285 2.709 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccco1)CC2 96036926 ZEHQNXHXLWVBOA-UHFFFAOYSA-N 440.525 2.550 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N[C@@H]1CCC[C@H]1Cc1ccco1 105363687 AUDRWADRXKYILE-XODKDNOYSA-N 437.540 2.695 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]3C)CC2)c1 107534121 CNXCVJQZDWAQGF-WOJBJXKFSA-N 430.593 2.879 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1C 220338017 IKCVADNZMRKALJ-HNNXBMFYSA-N 434.514 2.892 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223517394 DNSKADNDGKVRNL-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)CC1 224410187 IRWOWCDRQCHQRP-UHFFFAOYSA-N 444.553 2.923 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224411640 ODRGFYWONJJCSK-CQSZACIVSA-N 448.495 2.930 0 40 IFAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 225635991 DPMRZFPFEULDOR-SFHVURJKSA-N 436.530 2.600 0 40 IFAB CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)N1CCC[C@](C)(c2cc(N(C)C)nc(C)n2)C1 257300917 RWFKZPGLJVQJAV-ZEQRLZLVSA-N 441.551 2.776 0 40 IFAB COc1ccccc1CC(=O)N1CCC(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 592512999 GTVSKUBLDRJKAK-IBGZPJMESA-N 425.533 2.889 0 40 IFAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccc(O)cc1 604419559 CREGCCFYSPOVDA-HSZRJFAPSA-N 427.460 2.866 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(Cc4cn(C)c5ccccc45)C[C@@H]23)n1 1549163121 ZHDSHKQNWVNEDA-JOCHJYFZSA-N 446.555 2.952 0 40 IFAB C[C@@]1(c2cccc(C(=O)N3CCc4cc(F)cc(Br)c4C3)c2)NC(=O)NC1=O 1586622469 XPNGTYFLUYKLOR-FQEVSTJZSA-N 446.276 2.841 0 40 IFAB COc1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1OC 924344 INYCSOAWSPFRLP-KRWDZBQOSA-N 435.498 2.772 0 40 IFAB Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 3393040 XAQHCIDUOKSWMM-UHFFFAOYSA-N 440.905 2.637 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1 3540539 NXFMTIXZXZXGLL-LBPRGKRZSA-N 426.336 2.556 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1)c1ccncc1 4258928 XYEGQZHQNBHAQY-MAUKXSAKSA-N 432.455 2.894 0 40 IFAB biogenic,in-vitro COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(O)C=C(C)OC(=O)[C@@H]23)OCO4)cc(OC)c1OC 5758990 HLSYKUZMRGENJH-VIZSFHNOSA-N 442.420 2.731 0 40 IFAB CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O 6089654 KJCHFQOTHGBLAW-CYBMUJFWSA-N 431.924 2.683 0 40 IFAB CC(C)[C@@H]1C(O)=Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O 8770639 NXPBFYJZXGLYMJ-YLJYHZDGSA-N 438.484 2.641 0 40 IFAB CCCC(=O)N(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 8834611 NMCVBLIDFRHZRN-UHFFFAOYSA-N 431.514 2.798 0 40 IFAB Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCOCC3)nnc12 9130907 YMZLGEWXZCXHMR-UHFFFAOYSA-N 449.536 2.601 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)s3)[C@@H]2C(C)C)cc1 9227639 QDFKTNXCQHOUSM-KRWDZBQOSA-N 440.616 2.762 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1ccc(Cl)cc1 9278125 WZTNVXHAPWHHBP-UHFFFAOYSA-N 429.267 2.982 0 40 IFAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC 9408882 QDGMPZMXICCCNO-ZYKOEDHHSA-N 438.480 2.931 0 40 IFAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc2c(c1)OCO2 9409530 DEIUMJGPCJKDND-FQEVSTJZSA-N 435.484 2.636 0 40 IFAB O=C(Cc1cccc2ccccc12)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570252 AXFLZYOOBFXUTC-UHFFFAOYSA-N 437.565 2.651 0 40 IFAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 9668697 RYAGEYPYGYERJA-UHFFFAOYSA-N 446.569 2.854 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c1 9668803 WNEICOVEORXBGR-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9730362 LYRZQGBKSHDCOJ-OAHLLOKOSA-N 433.555 2.914 0 40 IFAB COc1cc(C(=O)N[C@@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC 9901300 XXXDGXVZLMKOTL-AWEZNQCLSA-N 437.496 2.897 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)cnc21 10700178 HJOGVPGAAVKKED-SFHVURJKSA-N 426.480 2.560 0 40 IFAB CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1cccc3ccccc13)c(=O)n2C 12231439 ZUEGZJFDQKSQOX-UHFFFAOYSA-N 428.496 2.921 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 13042234 IMSNANWWIUYIAY-CQSZACIVSA-N 427.979 2.585 0 40 IFAB Cc1cc(C(=O)CN2C[C@@H](C)C[C@H](C)C2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 13095287 RQWULUOKLMKSFB-HOTGVXAUSA-N 449.555 2.896 0 40 IFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)CN[C@H](C)c2ccccc2)c(=O)[nH]c1=O 13096345 XWHJQMWOBHQEAL-QGZVFWFLSA-N 429.565 2.649 0 40 IFAB Cc1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c2ccccc2n1 13135738 GGLJALRHOKSLPV-UHFFFAOYSA-N 441.509 2.897 0 40 IFAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 13164950 IWYSFFGPXBKZGY-STQMWFEESA-N 445.570 2.545 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N(Cc1ccccc1)Cc1ccco1 14242896 PSRVZQBLDXDFFA-UHFFFAOYSA-N 431.448 2.799 0 40 IFAB CC(C)CCN(C(=O)Cc1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14579115 FPIFBTZDHYQIOO-UHFFFAOYSA-N 426.542 2.850 0 40 IFAB COc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)cnc32)c1 16960699 ZGGRACACXWPLSW-UHFFFAOYSA-N 444.373 2.643 0 40 IFAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2cccnc2)CCO1 19580798 FUMHLWDLASFECK-VWLOTQADSA-N 430.508 2.686 0 40 IFAB COc1ccccc1OCC(=O)N1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1 19696768 FDGGAZCXRJZCDA-KRWDZBQOSA-N 426.494 2.988 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 20043706 PSWFPWQMKXLNCJ-GOSISDBHSA-N 427.636 2.920 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 21203723 UVIZNZOYFZDRSP-UHFFFAOYSA-N 446.479 2.606 0 40 IFAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1=O 21915773 VHWGEYMGTHPAIC-UHFFFAOYSA-N 432.480 2.731 0 40 IFAB COc1cccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22332182 XRLGASYRNMEAQR-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134312 NNMZOSSFSDMCMC-UHFFFAOYSA-N 447.326 2.692 0 40 IFAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 25661702 CSIYOKUPRXMTJH-FQEVSTJZSA-N 432.586 2.730 0 40 IFAB COC(=O)c1cn(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc12 26539680 FRIZWDILXZLUME-UHFFFAOYSA-N 435.480 2.501 0 40 IFAB COc1cc2[nH]c3c(=O)n(CC(=O)NCCc4c[nH]c5ccccc45)cnc3c2cc1OC 35423719 RTJQSIUUZDGBGL-UHFFFAOYSA-N 445.479 2.735 0 40 IFAB O=C(Cc1noc2ccccc12)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 36700484 COPBLROUSWBYEK-UHFFFAOYSA-N 432.415 2.809 0 40 IFAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)NCCCOC)c12 39556647 NBXOAWBHYNENIV-UYRXBGFRSA-N 442.585 2.776 0 40 IFAB C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)C1 40388656 CVIFACNZOVLYFR-GVXVVHGQSA-N 431.443 2.595 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 40400405 JGTOPKYJTGUPEB-QGZVFWFLSA-N 446.467 2.845 0 40 IFAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(OC)c(OC)c1 44856884 JEGFZNXASLILQX-IERDGZPVSA-N 448.541 2.807 0 40 IFAB Cc1ccc(N2CN(CC(=O)NCc3cccs3)S(=O)(=O)c3cccnc32)cc1 49411477 GUMYDGGJNHZMRP-UHFFFAOYSA-N 428.539 2.868 0 40 IFAB COc1cccc(Cc2cccc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1 72350347 QVBBCTSEVRVTCG-SFHVURJKSA-N 426.542 2.983 0 40 IFAB Cc1cc(C)n(CCc2nnc(NC(=O)c3nnn(-c4ccccc4F)c3C)s2)n1 72392126 UFHNVPNJKAOVHH-UHFFFAOYSA-N 426.481 2.875 0 40 IFAB CCC(CC)[C@@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1 79051536 ISYUKOAQSKVSSN-GOSISDBHSA-N 432.533 2.691 0 40 IFAB CCCN1C(=O)[C@]2(CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c2ccccc21 95476702 KGVMCFJKFHWNSB-JOCHJYFZSA-N 428.456 2.881 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nnc(SCc2ccc(F)cc2)s1 95947972 JZAUDPRTPXJYRR-OKILXGFUSA-N 432.502 2.859 0 40 IFAB C[C@@H](CNc1nc(NC[C@H](C)N2CCOCC2)c2cc(Cl)ccc2n1)N1CCOCC1 96011508 QEOBSEGABWBLTI-IRXDYDNUSA-N 448.999 2.548 0 40 IFAB COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc1 96099638 UDWVLQDBNMQGBD-UHFFFAOYSA-N 437.539 2.525 0 40 IFAB C[C@@H](NC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 100180927 VJXFDZRSUUSAGA-LLIXSVNVSA-N 439.556 2.849 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 109037603 VDHBIFFCUGKQIW-UAVUOLJFSA-N 426.561 2.501 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCCc1ccccc1)=C2C 219191673 WEDTUPQBFABHLS-UHFFFAOYSA-N 430.526 2.963 0 40 IFAB COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 224349539 ILDWWPWFJNFONH-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 224349814 UKONXWMWRXEDAR-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)ccc21 225099827 ZTGOJHITSWBENO-UHFFFAOYSA-N 434.543 2.578 0 40 IFAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NCc1ccccn1 225837833 PTUCUAJXAZNRDR-UHFFFAOYSA-N 434.237 2.985 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2)CC1 225843084 WIQCKVZXUVYZEZ-UHFFFAOYSA-N 428.510 2.856 0 40 IFAB CCN1CCN(C(=O)CN2CCCC2=O)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257313898 UUPMHATUXWYUSY-JOCHJYFZSA-N 437.515 2.717 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)C1 390831626 SYLXAAXEVZEXFY-AWEZNQCLSA-N 447.561 2.664 0 40 IFAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 519396270 VVTJYHPDLXKBGL-QGZVFWFLSA-N 443.525 2.568 0 40 IFAB CC(C)n1cnc(S(=O)(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)c1 1775970900 JCQVJIBDHXOGLA-UHFFFAOYSA-N 430.509 2.571 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3246675 ONCKYQIADQTIHV-KDOFPFPSSA-N 441.505 2.916 0 40 IFAB Nn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccc(OC(F)F)cc1 3365704 CFPKBQBVUBFWMO-UHFFFAOYSA-N 440.476 2.511 0 40 IFAB CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(F)cc2)c(=O)[nH]c1=O 3565738 OMMDWKCMACBKLW-UHFFFAOYSA-N 440.475 2.914 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1OC 8772918 CZZJVHKIDFVAEF-UHFFFAOYSA-N 443.500 2.509 0 40 IFAB O=C(NCc1ccncc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094876 GTOFHTZXMIMMLG-FQEVSTJZSA-N 429.929 2.941 0 40 IFAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Br)cc2)CC1 9190257 WINNTEUXEBBLQP-UHFFFAOYSA-N 438.347 2.783 0 40 IFAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 9634940 QTGSGPCILRLPJV-HNNXBMFYSA-N 436.555 2.649 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 9909168 DFFNQWBMLTVKLK-SGANQWHYSA-N 449.507 2.939 0 40 IFAB CCCn1c(=O)n(Cc2ccc(Br)cc2)c(=O)c2c1nc(C)n2CCOC 10883231 RIWWZSVBGITASH-UHFFFAOYSA-N 435.322 2.535 0 40 IFAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1Cl 11865997 QXHSNYYRCUJZQL-OAHLLOKOSA-N 425.876 2.980 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1cccc(Cl)c1 11904783 FIYWJCUNERKBNN-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB Cc1ccc(CNC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)cc1 12086525 FVGDPJFKKQMKKR-CJAUYULYSA-N 434.540 2.872 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)ccc1F 12585013 FFURCXJCZZEJPG-UHFFFAOYSA-N 449.548 2.776 0 40 IFAB O=C(COc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 12587401 NXPAWZSHJSIIPA-PMACEKPBSA-N 429.538 2.927 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[C@@H](C)CC)C(=O)O 12664436 ZRDZGZVFKZGFQP-USJZOSNVSA-N 429.521 2.596 0 40 IFAB biogenic Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)CSc1nncn1C 12695702 WOVMZBAQUZYJCC-UHFFFAOYSA-N 425.470 2.835 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)NC(=O)N1c1cccc(C(=O)O)c1 12745838 LUNQVTVCDFZYHP-FQEVSTJZSA-N 439.443 2.928 0 40 IFAB C[C@H](NC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 12763553 CXNVEUFVUIBBAL-ROUUACIJSA-N 433.549 2.788 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 12808020 ZZGFXDAIHMZIAI-UHFFFAOYSA-N 448.932 2.718 0 40 IFAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1S(=O)(=O)N1CCCC1 13096776 ANFFDMPBAPNZEO-IBGZPJMESA-N 431.558 2.512 0 40 IFAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCN(c2ncccn2)CC1 13128130 PWKWWDGMXFUBEL-UHFFFAOYSA-N 439.520 2.650 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)cc2c1 13570767 WPNVCAUUWHEOKE-IBGZPJMESA-N 428.510 2.907 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 13677011 KOGSJELFLZEWCW-KRWDZBQOSA-N 446.525 2.830 0 40 IFAB CC(C)Cc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1F)c(=O)n(C)c(=O)n2C 15883668 GNIWAFGEBQJIHZ-UHFFFAOYSA-N 448.495 2.840 0 40 IFAB CCC(CC)N1CCc2nc3cc(C4CCN(C(=O)CCOC)CC4)nn3c(O)c2C1 19500291 ZYOBVGJOKLDYKB-UHFFFAOYSA-N 429.565 2.724 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2c[nH]nc2C)C1 19528582 OYSOEVPASUIVTI-XMMPIXPASA-N 432.528 2.776 0 40 IFAB CN1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)n2)CC1 19588200 CAGUAYPOZJMGQR-SFHVURJKSA-N 438.528 2.669 0 40 IFAB O=C(c1ccccc1)N1CC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19700765 UIWDIRAQUGSKQH-QFIPXVFZSA-N 446.551 2.530 0 40 IFAB COc1cc2c(cc1OC)[C@H](CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCC2 19933900 CBVGGFVGOHDVCK-DEOSSOPVSA-N 426.513 2.864 0 40 IFAB O=S(=O)(c1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1)N1CCOCC1 22793919 JYSQLJDIZOEZRM-WEVVVXLNSA-N 441.597 2.539 0 40 IFAB CC(C)[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O 32947203 RCZKUKOBUCVMPP-RYUDHWBXSA-N 442.379 2.793 0 40 IFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 39427835 RAOWUEWMMNQIFQ-FQEVSTJZSA-N 437.456 2.937 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c(C)c1 44837110 OADLTCVDYAGTCB-UHFFFAOYSA-N 438.438 2.878 0 40 IFAB Cc1ccc(OCCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44908982 WIJINJANPSHOKD-IBGZPJMESA-N 438.933 2.761 0 40 IFAB C[C@@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 48273996 SIPLSHHLILJRQK-INIZCTEOSA-N 425.510 2.943 0 40 IFAB CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2n1C)[C@H]1CCS(=O)(=O)C1 48353909 ZYMOFJFSUFNQGV-AWEZNQCLSA-N 429.995 2.991 0 40 IFAB COc1ccc(CCNC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1OC 49548126 OMVYRUJDHGOQLD-UHFFFAOYSA-N 427.888 2.940 0 40 IFAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NCc1ccccc1 56949829 ACVYJCPTKAVOAA-UHFFFAOYSA-N 433.508 2.657 0 40 IFAB COc1ccccc1CNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 60103129 JCVONQMXNPZNAF-UHFFFAOYSA-N 441.347 2.849 0 40 IFAB CS(=O)(=O)CCOc1cccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 60341226 HKVULXILRQSVAO-UHFFFAOYSA-N 425.890 2.716 0 40 IFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC 67287391 URFNAYPRRQOFAG-OAQYLSRUSA-N 447.532 2.760 0 40 IFAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C(=O)OC)cc3)c2C)cc1 67322738 KNIFNYLBXRQJQD-UHFFFAOYSA-N 437.456 2.663 0 40 IFAB O=C(NCCc1ccncc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 72373022 JLBUNZUHSYXWFH-DNQXCXABSA-N 449.576 2.715 0 40 IFAB COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)nc2ccc(Br)cn2c1=O 96114020 HRLGSJBNSUZYDY-LBPRGKRZSA-N 449.257 2.572 0 40 IFAB biogenic COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 96120231 ZHMGZARUYWJWNC-UHFFFAOYSA-N 434.514 2.900 0 40 IFAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 102320070 DWPYLYPPXJXUCQ-IPEZAISWSA-N 443.503 2.923 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224109432 FWVCXGGHKMZJAI-IBGZPJMESA-N 449.548 2.535 0 40 IFAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(OC)cc2)S(C)(=O)=O)cc1 224747521 JURVFMCUFAAEJS-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CCCSc1nnc(NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)s1 225723446 TZGHXRCNFHXLLF-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB COc1ccccc1[C@@H]1CCN(CC(=O)N2[C@H]3CC[C@H]2c2snnc2C3)[C@H](C)C1=O 247949798 JROZTJHXSVBCKJ-OAOQPFQOSA-N 426.542 2.582 0 40 IFAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1cccnc1 257303201 SGEMXIMJNSIHRG-XMMPIXPASA-N 443.551 2.814 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1)c1ccccc1 408590473 HIWUKOOGHFBYRV-GOSISDBHSA-N 442.541 2.508 0 40 IFAB Cc1cc(Nc2cnccn2)nc([C@@H]2CCCCN2C(=O)/C=C/c2c(C)nn(C)c2C)n1 585292026 IOBGAERAKKRADB-SGQUHAKNSA-N 432.532 3.436 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCC3CCOCC3)ccc21 643584415 LVELIIZTTXPJGT-UHFFFAOYSA-N 431.577 2.876 0 40 IFAB CCCn1ncc(CN2CCOc3ccccc3CCCOC[C@@H](O)[C@@H](O)CC2)c1C 1615157786 QICWMSPRYLNGRI-XZOQPEGZSA-N 431.577 2.557 0 40 IFAB COc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)cc(OC)c1OC 2087044437 QQLQTTJIKKSPHD-IRXDYDNUSA-N 438.528 2.508 0 40 IFAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)OC 814128 CGIMCOMXQBEAKX-NRFANRHFSA-N 439.468 2.904 0 40 IFAB Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 3571444 GXQVHUYVNAPOBJ-UHFFFAOYSA-N 442.493 2.537 0 40 IFAB O[C@@H](CCOc1ccccc1)CNCCCCCCNC[C@H](O)COc1ccccc1 4686163 QRQXKWQQPIBTQJ-GOTSBHOMSA-N 430.589 2.996 0 40 IFAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 9126076 ZUTVAUCJHREUNY-KRWDZBQOSA-N 426.546 2.687 0 40 IFAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 9263259 XYYQAFOEZWSDSY-CYBMUJFWSA-N 439.497 2.766 0 40 IFAB Cn1c(=O)c2sc3c(c2n(CC(=O)Nc2cccc(Cl)c2)c1=O)COC(C)(C)C3 9410661 WFSSMGFYNPYZJL-UHFFFAOYSA-N 433.917 2.905 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 9438567 YKOKHHRKTZZLGE-QZTJIDSGSA-N 436.574 2.913 0 40 IFAB C[C@H]1CN(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)C[C@H](C)O1 9443239 MFQRMQHDKBWQNN-HOTGVXAUSA-N 449.536 2.761 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccccn1 9469800 SCEPPSDACUFRPG-OAHLLOKOSA-N 439.493 2.780 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 9635050 WTADAIOXZGONIQ-IAGOWNOFSA-N 433.574 2.837 0 40 IFAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851729 DWYGHUDNSDPAEW-UHFFFAOYSA-N 435.438 2.510 0 40 IFAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10744256 JQQFYOYBAUZOOZ-UHFFFAOYSA-N 442.946 2.596 0 40 IFAB COc1cc(C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)ccc1OC(C)C 11431571 QEAXSOFOFKSLEI-UHFFFAOYSA-N 429.469 2.769 0 40 IFAB CCOc1cc(N2CCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)nc(C)n1 11613223 BQNYAGAJZJSBPB-UHFFFAOYSA-N 431.493 2.564 0 40 IFAB COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 12182060 QMYKEEPODMCSKA-OWCLPIDISA-N 435.475 2.903 0 40 IFAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c32)c(C)c1 12228686 PGFQUAUBALWWRG-UHFFFAOYSA-N 445.479 2.917 0 40 IFAB CCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 12231976 YZIXZVKPLHMSLT-UHFFFAOYSA-N 444.898 2.868 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)c(C)c2)c2c(C(N)=O)nc(-c3ccsc3)nc21 12236944 JMDJKSSRRXLEAA-UHFFFAOYSA-N 435.509 2.940 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCCC2)CC1)NCc1ccccc1OC(F)(F)F 12777376 ILEVNQXQDQLJOR-UHFFFAOYSA-N 427.467 2.926 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1 12791568 SHHNLPMBGFNSIZ-UHFFFAOYSA-N 436.505 2.597 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCOC 12888558 OMMMDYIFLSTSLG-AQHYUZTGSA-N 447.601 2.719 0 40 IFAB biogenic O=C(CNc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12926855 GLMSPPUFKJNOQY-UHFFFAOYSA-N 427.501 2.924 0 40 IFAB COc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 13011281 PUBJSJGAOAMANJ-FQEVSTJZSA-N 425.529 2.777 0 40 IFAB COc1ccccc1-c1noc(CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)n1 13236183 CIEBJVNTFPNHHI-KRWDZBQOSA-N 435.440 2.722 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1 16188434 BIWSZRSDVZCDKZ-UHFFFAOYSA-N 432.420 2.982 0 40 IFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@H](c2nc(Cc3cccs3)no2)C1 19343820 SCRCBDIHIKQTNF-HNNXBMFYSA-N 427.454 2.762 0 40 IFAB O=C(CN1CCc2[nH]nc(-c3ccccc3F)c2C1)N1CCC[C@@H](c2csnn2)C1 19368304 UWEGHCHHJMKLLL-CQSZACIVSA-N 426.521 2.832 0 40 IFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502855 YDOGIYSWCUBJRO-UXHICEINSA-N 439.581 2.933 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3c(C)n(C)c4ccccc34)CC2)cc1 19581817 ISLNJIOIWGQWEO-JOCHJYFZSA-N 443.569 2.535 0 40 IFAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 21904543 TWKIEYRRSARTQZ-UHFFFAOYSA-N 428.963 2.997 0 40 IFAB CNS(=O)(=O)c1cc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)ccc1C 22702304 KXPSIOXXIXJRDO-UHFFFAOYSA-N 431.543 2.771 0 40 IFAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccncc2)CC1 23848021 WNGJNRUBFHAFIM-AREMUKBSSA-N 441.535 2.851 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 25175579 FBFXDWTWMRTXSL-IBGZPJMESA-N 440.887 2.739 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 30939110 LBJIOGYKBVGTKW-QGZVFWFLSA-N 438.889 2.601 0 40 IFAB CCCCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)cc1 32094870 WDJPLZIKXOBQAE-HXUWFJFHSA-N 429.542 2.547 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1F 34718374 XDJBWQQZFNRWFK-LICLKQGHSA-N 428.416 2.869 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nccnc4c3)CC2)cc1 40146237 IHPSOQILPOAJJM-UHFFFAOYSA-N 438.509 2.872 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)c1 57490541 TYEAXXQZOCLVIR-UHFFFAOYSA-N 439.468 2.678 0 40 IFAB CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2cccc(Br)c2)c1=O 64987506 DGIJSIYTEPHTDC-UHFFFAOYSA-N 429.274 2.780 0 40 IFAB COC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 72369638 UGZOMEUVIUXDKI-QAPCUYQASA-N 443.592 2.792 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)n1 96012944 CVXRFVGLNCFOQE-HNNXBMFYSA-N 440.566 2.566 0 40 IFAB COc1cccc(NC(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C(C)=O)C[C@@H]32)c1 96143801 VKXFSFATRPWRJM-GBXCKJPGSA-N 442.560 2.656 0 40 IFAB COCCS(=O)(=O)N1CCN(c2ncnc3scc(-c4ccc(C)cc4)c23)CC1 96182724 IHLCOEVZATZNIW-UHFFFAOYSA-N 432.571 2.765 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 103513892 BNQWFBYQJUWALC-YSTOQKLRSA-N 435.867 2.946 0 40 IFAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)[C@@H]3O 118914754 SYHUKNSTHJICMX-XZBANJNKSA-N 438.605 2.508 0 40 IFAB COc1cccc(N2CCN(C(=O)[C@H]3C(=O)N(C)[C@@]4(C)C[C@H]3c3ccccc3O4)CC2)c1 138211191 UWDNVDPAGAVDFS-NIRIFSCTSA-N 435.524 2.715 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 222524891 ZWYPWWAKJXUGLO-OAHLLOKOSA-N 441.915 2.880 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc2c(c1)OCO2 223887188 NNIKLWXJTBLYIC-UHFFFAOYSA-N 439.493 2.806 0 40 IFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c(OC)c1 224632983 LBBCTCZSIJOZHB-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB CN(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(=O)(=O)c1ccc(Cl)cc1 225057759 SJSKQDHRZURGAE-UHFFFAOYSA-N 425.919 2.513 0 40 IFAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@H]23)cc1 257291725 QIIXCDJOWFKYRA-TWJOJJKGSA-N 449.595 2.844 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)COc3ccccc3C)C2)cc1 260453365 LXNSWGVMUSGUDZ-MOPGFXCFSA-N 446.569 2.988 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(C)c(C)c3)C2)cc1 260850915 SXOXNUVVHYHEIN-IBGZPJMESA-N 446.569 2.908 0 40 IFAB CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@]12CCN(Cc1ccccc1)C2 306143857 YORAQIPWHFLKBE-DNQXCXABSA-N 427.614 2.745 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1 408584314 OAPBTNXVPPGSCJ-INIZCTEOSA-N 431.514 2.693 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)sc(C(N)=O)c1C 502856642 PADWZBWOBKTLMA-UHFFFAOYSA-N 437.861 2.532 0 40 IFAB CC1(C)CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)[C@@H]1c1ccncc1 1526775029 BFQFANUWOZJFMC-NFBKMPQASA-N 436.556 2.764 0 40 IFAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)c3cccc(OC)c3)c(=O)n2n1 1889298575 FYPWGNVDQFYWDH-UHFFFAOYSA-N 436.468 2.905 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCCOC(C)C)CC3)CC2=O)cc1 4998906 RUOWNZCBOWFNKT-HXUWFJFHSA-N 429.561 2.518 0 40 IFAB CN(C)CCCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6198549 QHXJQFAWEUGEBU-UHFFFAOYSA-N 442.541 2.678 0 40 IFAB CC[C@@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 8724634 PWWDVAATYKOJJK-PBHICJAKSA-N 425.551 2.918 0 40 IFAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 9263628 DJIZIESLPGRXEK-UHFFFAOYSA-N 439.497 2.764 0 40 IFAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3Cc2ccccc2)n(C)c1=O 9519112 DDDPQBMGLLHAOG-KRWDZBQOSA-N 429.524 2.910 0 40 IFAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 9713205 GQLJURMCIFTCAU-HNNXBMFYSA-N 427.464 2.956 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9789176 RNFUFTDWKYMPTE-LJQANCHMSA-N 443.525 2.523 0 40 IFAB CSc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1-c1ccccc1 9858731 WGLWVIAPAQJKDE-UHFFFAOYSA-N 442.566 2.741 0 40 IFAB C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 10730910 VRLCABPPZYGRSR-ZDUSSCGKSA-N 444.444 2.601 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 12346064 VWQAUHBUBNHTKG-XGIGFIBQSA-N 449.529 2.668 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 12539180 KXOBPKHDOKGOAZ-UHFFFAOYSA-N 435.977 2.974 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)NC(=O)N1c1cccc(C(=O)O)c1 12745833 LUNQVTVCDFZYHP-HXUWFJFHSA-N 439.443 2.928 0 40 IFAB CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 12806819 VPYBPBYFEIPMPA-JOCHJYFZSA-N 427.888 2.571 0 40 IFAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)sc2nc3n(c(=O)c12)CCC3 12820230 YLKCMMZQPGOVIE-CQSZACIVSA-N 437.521 2.843 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12851631 YXDDEOHJEHJXQW-UHFFFAOYSA-N 448.516 2.656 0 40 IFAB COCCN1CC(=O)N2C[C@@H](c3ccccc3OC)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12878135 PMTSKOSSJVLASK-BVZFJXPGSA-N 433.508 2.854 0 40 IFAB biogenic O=C(NC[C@@H]1C[C@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 13397196 RSPLRIXLWYQLRT-HKUYNNGSSA-N 427.936 2.766 0 40 IFAB COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC(C)C)c1ccc(C)cc1 13501422 FQAAIEJHROHWLY-HSZRJFAPSA-N 440.544 2.850 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)cc1 15996592 ZPUIQBHQSAJUFT-SUWCGCSTSA-N 425.847 2.910 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2Cl)C[C@@H](C)O1 16019820 DTUQYTKDSDCNRV-BETUJISGSA-N 448.932 2.688 0 40 IFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)s1 17333578 BTOMMSISBBDBIM-UHFFFAOYSA-N 431.377 2.821 0 40 IFAB O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCN(Cc2ccccc2)CC1 20412050 ZZICPWHSWMHUCI-UHFFFAOYSA-N 445.567 2.942 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(-n3nc(C)cc3C)nn1)OCO2 21562403 OPKVANOMSXQLSU-UHFFFAOYSA-N 425.470 2.941 0 40 IFAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 22914060 LRYKIFYUYKHXAA-GOTSBHOMSA-N 441.597 2.788 0 40 IFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 23805298 CFXNHLARVBERSI-OAQYLSRUSA-N 433.480 2.949 0 40 IFAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1S(=O)(=O)N1CCOCC1 24648372 HJAXBURGSOZVPV-UHFFFAOYSA-N 430.404 2.858 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 32889059 MQOQNGGKGYZWGS-CQSZACIVSA-N 434.418 2.929 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCCc1nc(C(C)(C)C)no1 32922206 XKPWRWSCSBXCEU-UHFFFAOYSA-N 432.477 2.839 0 40 IFAB CCOC(=O)CN(CCOC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 48299476 DDMOUYUUNZORDF-FQEVSTJZSA-N 427.501 2.777 0 40 IFAB C[C@@H](C(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 48301313 DYLDDMOORDLZDR-ROUUACIJSA-N 438.532 2.949 0 40 IFAB O=C(C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1)N1CCOCC1 58637827 GCOBJEQGZPYLIB-UHFFFAOYSA-N 435.362 2.968 0 40 IFAB CC[C@]1(c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)CCC(=O)NC1=O 59988875 BPEKUKNPRUVIEF-JOCHJYFZSA-N 443.525 2.703 0 40 IFAB COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4cccc(OC)c4)ccn23)cc1 64593686 SKQFZVBTAUELGJ-UHFFFAOYSA-N 437.481 2.628 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)NCC3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1C 70926142 RDZLEIAMPKTDSP-OAQYLSRUSA-N 434.540 2.720 0 40 IFAB CCN(CC)C(=O)c1ccc(NS(=O)(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 78902638 DZXCOJIYUNWLOL-UHFFFAOYSA-N 442.534 2.523 0 40 IFAB Cc1cccc(C)c1OC[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(C)(C)C 79094379 SUJMJMWRYGHALG-GOSISDBHSA-N 431.558 2.711 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)NCc2nccn2CC(C)C)c(Br)c1 95461768 NOYBLCJYLNOQKH-UHFFFAOYSA-N 444.351 2.957 0 40 IFAB CCOc1ccc(C2=N/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C(=O)O2)cc1OCC 96635036 RTZPWCXNNRQZJI-MHWRWJLKSA-N 440.452 2.701 0 40 IFAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C[C@H](C)O)c(OC)c1 206596677 YSZXBIRFSGYVAM-NSHDSACASA-N 435.527 2.587 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220444053 ZLLJGQRNMBKXMY-GFCCVEGCSA-N 426.441 2.935 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1C(=O)NC(C)C 223906161 HEYQOQQTRPWRDZ-UHFFFAOYSA-N 444.513 2.670 0 40 IFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)[C@H]2CCOC2)C1 253611032 YPJLJTXREKSYLX-GWJPWWOOSA-N 432.492 2.917 0 40 IFAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@@]3(Cc4ccccc4)CCCN3C)CC2)n1 257270008 MSJVKJUDVMEGGE-SANMLTNESA-N 449.599 2.732 0 40 IFAB COc1ccc(Nc2ncccc2C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)cc1 257273778 NIDHOXGMCTZNGT-XMMPIXPASA-N 431.496 2.888 0 40 IFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1 408622247 MZIQBZKMAQEDCY-UHFFFAOYSA-N 439.921 2.535 0 40 IFAB CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408654253 BBHCBLBREYXTOQ-ZCLUNYJNSA-N 426.513 2.714 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408672714 ZPJRZYZIBOAJRQ-QEWLZKHVSA-N 425.268 2.506 0 40 IFAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O 409216927 MLMIUVUOIZZGRH-GHXNOFRVSA-N 446.266 2.559 0 40 IFAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCN1C(=O)C[C@](C)(c3ccccc3)C1=O)CC2 524733829 STLLMGUWLRXQDC-UQBPGWFLSA-N 436.508 2.914 0 40 IFAB Cc1cc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)oc1C 585106546 ANJOBRDWWIFSQF-XMMPIXPASA-N 433.512 2.732 0 40 IFAB O=C(CN1CCC(O)(COc2cccc(Cl)c2)CC1)NCc1ccc2c(c1)OCO2 585272475 JAMRZCAECFANEE-UHFFFAOYSA-N 432.904 2.591 0 40 IFAB CN(C)CCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 585274080 VTANSASWNUEIAY-HSZRJFAPSA-N 434.964 2.923 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cc[nH]n3)[C@H]21 604406289 DBGYYOORNGJZOE-NRFANRHFSA-N 447.451 2.571 0 40 IFAB biogenic C[C@@](NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1)(C(=O)O)[C@@H]1C[C@H]2CC[C@H]1C2 1616030726 FFMAPHSLYOTGJR-MHMOXLGJSA-N 435.420 2.961 0 40 IFAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)Nc1cc2oc(O)nc2cc1F 1632546620 CUOVGUKUZHTXRR-STWVUXQISA-N 441.337 2.597 0 40 IFAB CC1(C)CN(C(=O)OCc2ccccc2)[C@@H]1C(=O)NCc1ccc(N2CCNC2=O)cc1 1633200020 WONRSURSUYWEGD-HXUWFJFHSA-N 436.512 2.880 0 40 IFAB COC1CCN(C(=O)[C@@H]2CN(CC3CCOCC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595709 KIKWZMHLLGZSOW-GIWBLDEGSA-N 432.536 2.871 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1 818379 DOOUQJWJCXODNY-INIZCTEOSA-N 437.404 2.866 0 40 IFAB CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O 1099445 QERGOXQITVOAME-UHFFFAOYSA-N 429.542 2.890 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCOC)cc2c1 6196665 DQKCUUWQSCJHLL-LJQANCHMSA-N 433.574 2.819 0 40 IFAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 9012516 ZITLIZLFZGDYLH-AWEZNQCLSA-N 436.917 2.529 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 9288604 NBNIRWCOSYSHGJ-QGZVFWFLSA-N 427.526 2.853 0 40 IFAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC)c(OC)c2)cc1 9344369 JQGJDPIJNCHTMK-MSOLQXFVSA-N 448.566 2.987 0 40 IFAB CCOCC(=O)Nc1scc2c(C(=O)OCC)nn(-c3ccc(OC)cc3)c(=O)c12 9381653 KSBCPIXPSYSQEB-UHFFFAOYSA-N 431.470 2.608 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)n1 9465602 YULCGZYRPBWRLW-DEOSSOPVSA-N 443.511 2.962 0 40 IFAB C[C@H](OC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1)C(=O)Nc1ccccc1F 9507240 DZMJDYIGILIFQF-NSHDSACASA-N 448.394 2.850 0 40 IFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9508402 WDOJAYAGCQMZSJ-UHFFFAOYSA-N 441.509 2.689 0 40 IFAB COc1ccc(C[C@H](NC(=O)CCN2C(=O)NC(C)(C)C2=O)c2ccc(OC)cc2)cc1 9645884 REJVQGITRWIAEN-FQEVSTJZSA-N 439.512 2.824 0 40 IFAB CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 9671771 KCKSCMUHWTYOOU-UHFFFAOYSA-N 428.466 2.759 0 40 IFAB NC(=O)c1c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)sc2c1CCCC2 9741001 IRIWMKLSKGGXGA-MRXNPFEDSA-N 447.582 2.908 0 40 IFAB O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cc2ccccc2c(=O)[nH]1 10347886 ZEEAPUDJZZWWDO-UHFFFAOYSA-N 433.464 2.562 0 40 IFAB COc1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O 12324545 GXVAJAIFPVYFQD-AVRDEDQJSA-N 426.494 2.645 0 40 IFAB Cc1nn(Cc2noc(C(=O)NCc3nc4ccccc4[nH]3)n2)c(C)c1Br 12372211 LUIZSLBSXUPRTI-UHFFFAOYSA-N 430.266 2.500 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 12544431 UOSBBJSECFQDDL-UHFFFAOYSA-N 428.514 2.903 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 12643708 QTTXLKZSGAXJED-HXUWFJFHSA-N 427.526 2.603 0 40 IFAB COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 12875941 VMTFHQHRYYFSKY-UHFFFAOYSA-N 433.302 2.821 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 12888474 KLSJNVIFZZGDER-BPAFIMBUSA-N 429.517 2.551 0 40 IFAB biogenic O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NCc1cccs1 12982406 ZBCIASKTRTVZSO-UHFFFAOYSA-N 429.567 2.524 0 40 IFAB CC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13084989 YNCPBZQSLILXEP-QHCPKHFHSA-N 436.556 2.533 0 40 IFAB Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)coc2c1 13120779 WCOBUPLVRKMISQ-UHFFFAOYSA-N 428.510 2.621 0 40 IFAB CC1(C)CC(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC(C)(C)N1 13689253 FGUGJVOXBBWTNE-UHFFFAOYSA-N 426.561 2.927 0 40 IFAB c1ccc(-c2nnn(C34C[C@H]5C[C@H](CC(c6nc7c8cn[nH]c8ncn7n6)(C5)C3)C4)n2)cc1 13960048 FLGNIEGUMAQBTA-CBKSTNSXSA-N 438.499 2.901 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 14396533 NFOFMGNWTZBIEJ-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1nnc(C(F)(F)F)s1 17250571 SPSUOSPYFWCHRF-UHFFFAOYSA-N 431.415 2.764 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)CCN4CCCC[C@@H]4C)CC3)c(=O)c2c1C 19561347 BDOJSHWKRJNBFW-INIZCTEOSA-N 446.617 2.693 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 19694014 GRTCVSLZJKAGKY-SFHVURJKSA-N 443.979 2.901 0 40 IFAB CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)c2n[nH]c(O)n2)CC1 19700077 MVZBFLZPMVWHBV-UHFFFAOYSA-N 437.475 2.528 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)COc2cccc(N(C)C)c2)ncc1C(=O)N1CCCC1 19756223 DEUFKNYLCWWZCB-OAQYLSRUSA-N 437.544 2.830 0 40 IFAB CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2 19757225 DHMNJGCTXQPTDS-UHFFFAOYSA-N 436.556 2.877 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 20006861 CQMYLUKQVZQDEP-HXUWFJFHSA-N 439.537 2.605 0 40 IFAB Cc1cc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)ccc1Br 22534547 OEMZWRNASMNMGG-UHFFFAOYSA-N 429.311 2.979 0 40 IFAB O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 26109161 ZAGRHFCEWNJZHO-AWEZNQCLSA-N 435.373 2.830 0 40 IFAB O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)N1CCN(c2ccc(F)cc2)CC1 33300960 NVKGKABOLZRXAN-UHFFFAOYSA-N 449.530 2.875 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OC(C)=O)C2=O)o1 33664370 NEMSGCPTRSWSDO-VGOFMYFVSA-N 448.815 2.746 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NC[C@@H]1CCCO1 35596854 YGDMKDRWLHAHTB-AWEZNQCLSA-N 426.498 2.924 0 40 IFAB O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Br 36634039 SAIYIUOOIZJUHC-LJQANCHMSA-N 428.330 2.899 0 40 IFAB COc1cc(-c2ccccc2)sc1C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 40154285 UTTNCGVDGIVAMT-HUUCEWRRSA-N 438.571 2.593 0 40 IFAB CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c1 43941944 VMVULHNWQXMFLF-UHFFFAOYSA-N 438.484 2.611 0 40 IFAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 48274919 ZJJLAHIIMKMMLG-UHFFFAOYSA-N 427.480 2.816 0 40 IFAB COC(=O)c1sc2nc(C)nc(NCc3ccc(OCC(N)=O)c(OC)c3)c2c1C 48314856 PPYFXZSOHTUARP-UHFFFAOYSA-N 430.486 2.580 0 40 IFAB CC(C)c1ccc2[nH]c(=O)c(CCNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2c1 49597388 SMLDFQYAMBHQJO-UHFFFAOYSA-N 427.482 2.607 0 40 IFAB NC(=O)[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 58751792 NZKDUMVMICTASF-RISCZKNCSA-N 442.722 3.000 0 40 IFAB Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NCCC(C)C)c(=O)c1CCO 67301216 AOBOOJYTTJHJRE-UHFFFAOYSA-N 425.451 2.935 0 40 IFAB O=C(CN1CCN(C(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1)N1CCCCC1 72275235 ARYMYBAONQMVCQ-SANMLTNESA-N 446.595 2.947 0 40 IFAB COc1cc(C)ccc1OCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395657 SVOZXBLPGFDKKC-JKSUJKDBSA-N 435.475 2.903 0 40 IFAB O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2ccc(-n3cccc3)nn2)CC1 90607782 XXBNINKHIVLKQB-UHFFFAOYSA-N 427.468 2.812 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCn3nc(-c4cccs4)cc3C3CC3)cc21 96121633 SEGIXKZIYRVSJE-UHFFFAOYSA-N 444.538 2.912 0 40 IFAB CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 203052583 OZQVOYUFHJLCGY-BHDDXSALSA-N 436.508 2.888 0 40 IFAB CCCOc1ccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 219151083 RIMPUBXRDMUCAN-UHFFFAOYSA-N 433.574 2.884 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 223130198 CVDWINXPOYYBFC-YADHBBJMSA-N 434.569 2.572 0 40 IFAB CCOC(=O)CN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(OC)cc1 224870189 GIOYHSMHJMTWFM-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)ccc21 225034469 YBVIZNPTPPDBRA-UHFFFAOYSA-N 443.909 2.797 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NC1CCN(C(C)C)CC1)NC2=O 248003544 OPWLUVAEBFKVQG-KCLXPQBDSA-N 441.572 2.939 0 40 IFAB CCc1ncnc(O[C@H]2CCN(C(=O)c3cn(CC)c4nc(C)ccc4c3=O)C2)c1F 390829221 XMLQVMJZWBHVIO-AWEZNQCLSA-N 425.464 2.510 0 40 IFAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 408712909 AVHZVQRQQCOZTH-UHFFFAOYSA-N 426.907 2.902 0 40 IFAB Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 585287825 SPPUKAFVJVWAQG-VWLOTQADSA-N 444.547 2.608 0 40 IFAB CN1CC(=O)N2CC[C@@H](CC(=O)NCc3ccccn3)[C@@H](C=CCOc3ccccc3C1)C2 958317761 LFDWXJIKCZDAGH-SFTDATJTSA-N 448.567 2.633 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888919441 SFLIEIHTICNOPJ-CALCHBBNSA-N 429.546 2.979 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cc1F 1889023460 ALMRVJJKTJKOLA-UHFFFAOYSA-N 449.479 2.784 0 40 IFAB COc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3ccccn3)CC2)n1 1411238 ANVWRFDENDWQSJ-UHFFFAOYSA-N 426.912 2.577 0 40 IFAB CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NC3CCCCC3)C(=O)N12 2967974 YNPXAMJZDOQDLI-KRWDZBQOSA-N 442.541 2.780 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(Br)c2)cc1 3312626 JSAXWUVORNHMQO-UHFFFAOYSA-N 426.288 2.739 0 40 IFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCN(c2ccccc2F)CC1 8710381 BUUFJSSPMLXCBB-CQSZACIVSA-N 437.566 2.709 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCn3nc(C)c(C)c3C)CC2)c(C)c1 8714477 DKMIHPYNZUVREC-UHFFFAOYSA-N 432.590 2.657 0 40 IFAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(I)cn2)c1 8831061 ISFFKFKJUGFXNL-UHFFFAOYSA-N 443.266 2.830 0 40 IFAB Cn1nc(Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(=O)n(C)c1=O 9120231 CTBNOHHANHJYOS-UHFFFAOYSA-N 426.889 2.531 0 40 IFAB O=C1CSc2ccc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)cc2N1 9284073 XQVLZJUUGMADHU-UHFFFAOYSA-N 446.282 2.858 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 9467547 VGFURWSEOLHSAI-CMJOXMDJSA-N 425.533 2.598 0 40 IFAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2Cl)CC1 9573785 HTYARDSSXKZEOZ-UHFFFAOYSA-N 442.878 2.996 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccco2)cc1 9740187 LNWLNJUPPVCERE-LJQANCHMSA-N 430.457 2.997 0 40 IFAB O=C(O[C@H](C(=O)Nc1ccncc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9973016 DUGJNAUXOYHNSK-RBUKOAKNSA-N 434.404 2.556 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(Cl)c1OCC(N)=O 10034760 UZHRVWWSYQJEAM-INIZCTEOSA-N 446.887 2.961 0 40 IFAB Cc1ccc(Cn2c(SCC(=O)c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 10386008 KOQWQIVPVRLSNR-UHFFFAOYSA-N 434.521 2.765 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 10737774 SFZBYMUZLHDWKR-AWEZNQCLSA-N 432.571 2.723 0 40 IFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1 10833677 KHBHFVJDOPJXRO-CQSZACIVSA-N 432.420 2.806 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)cc1 12233651 HNAWAUNADAHLRS-UHFFFAOYSA-N 428.510 2.543 0 40 IFAB COc1cccc(-n2cnnc2SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1 12633524 ZKPDJCCYOAXFHO-UHFFFAOYSA-N 426.454 2.938 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12757155 VMSJCSPAKQPLNW-VAWYXSNFSA-N 430.508 2.834 0 40 IFAB O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12916729 ZNDPBRCVNMTXTJ-GOSISDBHSA-N 441.534 2.996 0 40 IFAB CN(CC(=O)NC1CC1)C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 12924411 FJUZMUYVJSXPPK-UHFFFAOYSA-N 426.313 2.618 0 40 IFAB CCCCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 12937173 ZZMQXEZOIOKFHT-UHFFFAOYSA-N 426.542 2.893 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)Cc1ccc(OC(F)F)cc1 13038295 BSPWCBQPCZUDEB-UHFFFAOYSA-N 441.500 2.917 0 40 IFAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2C1=O 13129596 ZWBPWQKMUPTYRV-UHFFFAOYSA-N 443.500 2.644 0 40 IFAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccoc3C)n2C)CC1 13511978 ZEPJCQYTTOAOEA-UHFFFAOYSA-N 427.530 2.833 0 40 IFAB Cc1cccc(CSCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 13565826 FEONMEQJTJQSQX-UHFFFAOYSA-N 436.555 2.539 0 40 IFAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1 13705728 HFMDSHKZGOIZOU-INIZCTEOSA-N 433.468 2.762 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c1 13992371 YJJRAUVMPAZHDC-UHFFFAOYSA-N 447.466 2.676 0 40 IFAB COc1cc(CCNC(C)=O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 15083721 IIPPIEBWBIGXEF-UHFFFAOYSA-N 432.473 2.661 0 40 IFAB COc1ccc(CCNC(=S)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 15513651 RYWGDEZQONGQBB-UHFFFAOYSA-N 430.549 2.508 0 40 IFAB CCn1nnc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)n1 17099396 MUTSQZKRICVGTJ-UHFFFAOYSA-N 435.307 2.744 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)NC(=O)NC1 18262772 UXAVSSCXACSJPN-UHFFFAOYSA-N 440.880 2.670 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C 18668173 CJBLKADRYPFCAN-KBPBESRZSA-N 432.571 2.946 0 40 IFAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)cc1 19209742 GNTVCKHFJVLWGE-OAQYLSRUSA-N 434.540 2.669 0 40 IFAB CN1C(=O)C2(c3ccccc31)N1CC3(c4ccccc4)CN2CC(c2ccccc2)(C1)C3O 19331139 UTPONTKZXUKBRI-UHFFFAOYSA-N 437.543 2.698 0 40 IFAB O=C(c1ccc2c(c1)OCCO2)N1CC[C@@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705004 CHFMWVGTJOAADO-MRXNPFEDSA-N 449.511 2.950 0 40 IFAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 19817452 XUYQMLKFGDRQSS-JOCHJYFZSA-N 447.539 2.847 0 40 IFAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2cccs2)CC1 23844446 WUTYTLPTFSDVQF-FQEVSTJZSA-N 433.599 2.636 0 40 IFAB Nc1ncccc1C(=O)OCC(=O)Nc1ccc(Br)cc1Br 24601458 OKHMTRXSIUXPFL-UHFFFAOYSA-N 429.068 2.984 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCn3c(C)nc4ccccc43)C2)s1 24928480 VGBPKVMZDFCEQU-QGZVFWFLSA-N 446.598 2.932 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccccc3OC(=O)c3ccco3)C2=O)o1 34794732 SRVYKWASFLPHOJ-RVDMUPIBSA-N 436.376 2.971 0 40 IFAB O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1cccc(F)c1 57504025 FCKGJLUOVUEZOR-UHFFFAOYSA-N 430.399 2.991 0 40 IFAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1CCO 67301705 FZTZJWIBMILFLS-UHFFFAOYSA-N 441.871 2.774 0 40 IFAB O=C(NCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)c1c[nH]c2ccccc2c1=O 71824278 UYRDIGCCJNYEJZ-QHCPKHFHSA-N 426.476 2.691 0 40 IFAB O=c1c2cnc(N3CCN(c4cccc(Cl)c4)CC3)nc2nc(O)n1C1CCCC1 77100716 CXKQYGXPJXQFER-UHFFFAOYSA-N 426.908 2.987 0 40 IFAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 95945062 YXSTVYQWUNNRNJ-CQSZACIVSA-N 437.562 2.936 0 40 IFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2ccccc2F)c1 95966238 SEILDLDTBPXDMM-UHFFFAOYSA-N 427.929 2.591 0 40 IFAB O=C(c1ccccc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccc(Cl)cc1)S3(=O)=O)O2 96263994 VTVPQDFSKIFXAW-DYXWJJEUSA-N 432.929 2.538 0 40 IFAB Cc1ccc(NC(=O)c2ncn3c2CN(CC(C)C)S(=O)(=O)c2ccccc2-3)cn1 96266169 CMMKLVQSCMHYQC-UHFFFAOYSA-N 425.514 2.988 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1C 102245926 NMVZARHTEHXYOL-HDICACEKSA-N 449.573 2.529 0 40 IFAB O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1csc(I)c1 107541834 BWAAWVZMZQJGFK-GJZGRUSLSA-N 442.322 2.718 0 40 IFAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220240410 DKRYYVNWTDNMDG-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222728762 DHNBWHVUVKYZBA-INIZCTEOSA-N 448.541 2.890 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c(OC)c1 223882425 DRONKXOGPIDBOD-UHFFFAOYSA-N 436.530 2.671 0 40 IFAB COc1ccc(Cl)cc1NC(=O)N1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 225599889 YGFHDMAAPJSLCE-UHFFFAOYSA-N 441.941 2.617 0 40 IFAB Cc1nc(N2CCN(C(=O)c3cncc(Br)c3)CC2)cc(C(F)(F)F)n1 225734112 NFIOADKETNNLOB-UHFFFAOYSA-N 430.228 2.924 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)C2(c3ccc(C)cc3)CCOCC2)CCN1Cc1ccccc1 257234846 GVILFNASIHFBJW-QHCPKHFHSA-N 435.568 2.502 0 40 IFAB Cc1c(S(=O)(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cnn1C 257333871 YDLNXLZJAVUUDI-HDJSIYSDSA-N 447.586 2.689 0 40 IFAB COc1ccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@H]3C2)cc1 306142477 XAIVECPQYJGDFL-QZTJIDSGSA-N 433.512 2.852 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 408597996 YPHAHYSJOCPHSN-NSHDSACASA-N 428.894 2.671 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl 408659676 MPOAERPWCVHDPT-BLMTYFJBSA-N 444.915 2.962 0 40 IFAB Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@@H]3CCN(c4ccccn4)C3)cs2)c1 546210533 SYWHLSXVXFSMSL-OAHLLOKOSA-N 437.525 2.742 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1=O 575615113 MNEZCTGMZSZQHY-UHFFFAOYSA-N 438.328 2.977 0 40 IFAB COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 581961498 BVJHIKFMVMWNEO-YKGPHTRDSA-N 446.588 2.915 0 40 IFAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 891403 LSYAFIFFSHKUPT-UHFFFAOYSA-N 439.493 2.535 0 40 IFAB COC(=O)c1cc(I)ccc1OS(=O)(=O)c1ccc(F)cc1 2570933 LNGLIJKKXOWQQV-UHFFFAOYSA-N 436.198 2.985 0 40 IFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccccc1C(=O)NC1CC1 9056511 VBQVKNUJQQUXIK-ZDUSSCGKSA-N 433.559 2.752 0 40 IFAB C/C(NN1CCCC[C@@H]1c1cccnc1)=C1/C(=O)NC(=S)N(C2CCCCC2)C1=O 9111608 JSLFMQXCOCNGKU-AQRXXJNJSA-N 427.574 2.963 0 40 IFAB CCCn1c(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)n[nH]c1=O 9119412 SJZIALMALWIWDA-UHFFFAOYSA-N 441.513 2.973 0 40 IFAB CCc1ccc(-c2n[nH]c(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 9500496 MREAZBOJFQSOOS-QGZVFWFLSA-N 436.603 2.798 0 40 IFAB CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(C)=O)c1 9508553 WJWFUEZSWSKKDC-KRWDZBQOSA-N 431.539 2.688 0 40 IFAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9714044 LVMKYABAQDPPJF-GFCCVEGCSA-N 435.575 2.860 0 40 IFAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451903 UEJXRTROCCKPCK-UHFFFAOYSA-N 444.582 2.836 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1C 11694153 IBZASKLOPSQZBZ-UHFFFAOYSA-N 445.516 2.718 0 40 IFAB Cc1ncsc1C(=O)N1CCC(c2nc(N3CCCCC3)ncc2S(C)(=O)=O)CC1 12133426 WUISDKHIQHEWJZ-UHFFFAOYSA-N 449.602 2.655 0 40 IFAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)[nH]2)cc1 12347989 YJLBXBQUHQHKBW-UHFFFAOYSA-N 426.498 2.894 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1ccccc1)c1cccs1)C2=O 12909744 TXRWTBCALTZKPW-WDALLZDZSA-N 426.542 2.959 0 40 IFAB O=C(Nc1ccc(I)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 13001052 CWHVUOWCORNRQA-UHFFFAOYSA-N 442.278 2.984 0 40 IFAB CCCN(CC1CC1)S(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 13023713 LFWSUELSQUKNNB-UHFFFAOYSA-N 441.619 2.591 0 40 IFAB CC(=O)NCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 15373256 SJMUDAIIRGQIPE-UHFFFAOYSA-N 430.313 2.660 0 40 IFAB CCCNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 15853028 CZDHEWWPDKGNLV-JIIJFUIFSA-N 442.537 2.909 0 40 IFAB O=C(c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)N1CCC(Cc2ccccc2)CC1 16850966 LYINAPKVGCJVAM-LJQANCHMSA-N 427.570 2.826 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 17719999 FHWPONPEAPXXHF-ZIAGYGMSSA-N 433.390 2.566 0 40 IFAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 19463363 VTXAEANAAHESNQ-FRFSOERESA-N 426.542 2.740 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502985 MSTHBBKNRNVAEJ-QHCPKHFHSA-N 431.540 2.885 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 19528420 PRDPJVRRSQMHMA-YADARESESA-N 439.581 2.981 0 40 IFAB CN(C)[C@@H](CNC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1cccc(F)c1 22682981 JQONYNGGCRYJFP-KRWDZBQOSA-N 427.567 2.707 0 40 IFAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 23183785 GDCFYBWCLNAYOD-XJKSGUPXSA-N 433.302 2.866 0 40 IFAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23936017 COIUMTTXRYLDOK-LJQANCHMSA-N 435.549 2.847 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC2)CC1)OCc1ccccc1 25170825 ZZXBLFIWXXMRKR-JOCHJYFZSA-N 435.524 2.605 0 40 IFAB CN1C(=O)c2ccc(NC(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cc2C1=O 25459326 AIOUPNMDXGZTCL-UHFFFAOYSA-N 431.235 2.568 0 40 IFAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 35596763 HAXFRQIIIFWQHY-UHFFFAOYSA-N 431.495 2.949 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 36022464 SOVQHDRHFCLJBW-HZPDHXFCSA-N 430.526 2.696 0 40 IFAB CN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccc(C(N)=O)cc2)=N1 57401568 NVHHHJWNRWVLHA-UHFFFAOYSA-N 431.905 2.805 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nc2c(s1)CCCCC2 71333725 DUAGQMPOMINUTI-OAHLLOKOSA-N 428.562 2.666 0 40 IFAB COC(=O)Cn1c(=O)sc2c(-c3ccc4c(c3)OCO4)c3cnn(C(C)C)c3nc21 85412662 IPWUBFDPPZQROU-UHFFFAOYSA-N 426.454 2.957 0 40 IFAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 95456440 WATFFVFYPJIFJR-RUZDIDTESA-N 430.552 2.912 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1cccc(C)c1 96521153 BBHRFODQAAKMCA-MNOVXSKESA-N 433.105 2.947 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)ccc12 98038057 HUTWVQWLANZGSN-MRXNPFEDSA-N 447.491 2.825 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 101454090 DIWBIBLNZXIFIW-ASKNOMKYSA-N 434.279 2.893 0 40 IFAB CCOc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 113944967 DTTVSIJWTBHQHI-SFHVURJKSA-N 432.542 2.811 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220733719 XEJYCESEFNQXTR-GOSISDBHSA-N 444.981 2.995 0 40 IFAB CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1NC(C)=O 224588721 IWHVNAUKSBNARM-UHFFFAOYSA-N 449.598 2.678 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCc2cc(Br)ccc21)Cc1ccc(F)cc1 226062275 AHGIXFTWBWVWJM-UHFFFAOYSA-N 441.322 2.939 0 40 IFAB Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC(C)(C)C)N(CC(C)C)C(=O)[C@H]13 245230476 SMHKVONVNIZTLM-FUQIYGJBSA-N 439.556 2.655 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCOCC1 257218813 DEMNSMZUVZJUHN-IBGZPJMESA-N 440.519 2.654 0 40 IFAB COc1ccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)cc1 257304926 SNRIJNVFNNRELA-DGWZTRNLSA-N 438.568 2.999 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 260458051 UFBDSCIHGKYOSQ-VQIMIIECSA-N 443.997 2.638 0 40 IFAB O=C(c1cnccn1)N1CCC2(CC1)Oc1ccccc1-c1nn(CCN3CCCC3)cc12 306143814 YNIVCTAHYNPYOK-UHFFFAOYSA-N 444.539 2.960 0 40 IFAB COCCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 306144014 YTJMKXYSJLHEHT-XMSQKQJNSA-N 445.589 2.610 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCOC)c(Cl)c2)cc1 408636073 KXSHYRSNYGLOPU-UHFFFAOYSA-N 442.921 2.681 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 409392649 SMKUYJWAXGIJHJ-OAHLLOKOSA-N 432.498 2.772 0 40 IFAB CSCC[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)n1c(O)nc2ccccc2c1=O 524732389 XWKIEHVJDKOHKX-VPKVUBIPSA-N 431.558 2.550 0 40 IFAB O=C1CCCN1[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H]2CCOC2)C1 555504818 RDLZEZFNXIHYED-UYAOXDASSA-N 434.544 2.519 0 40 IFAB CN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)O)ccc1c23 628542 KCBJTDNGWZJUGQ-SFHVURJKSA-N 449.488 2.885 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 1154087 PRTCGQRTMLEBJQ-JTDSTZFVSA-N 438.358 2.528 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O 3382080 QNHRQFZMDRNJFH-JLCFBVMHSA-N 449.935 2.636 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 3478914 JHZOOVXVJPAPAO-VQHVLOKHSA-N 430.526 2.985 0 40 IFAB C[C@@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O 4574699 NLTGCWQJVYQJHP-OXQOHEQNSA-N 441.528 2.691 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc(C(=O)OCCOC)c1C 6612905 PGFVIRDFBCJYEA-UHFFFAOYSA-N 426.535 2.851 0 40 IFAB Nn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccccc1Cl 8622134 IGUMVDIZGPGAMK-UHFFFAOYSA-N 428.949 2.753 0 40 IFAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 8840353 AEYCWPGMUBDELK-UHFFFAOYSA-N 432.926 2.988 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C 8944384 ORBZOEKOOQGOTM-MRXNPFEDSA-N 443.500 2.759 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)Nc1cccc2ccccc12 9001564 IUYLLOXLMYQIEW-UHFFFAOYSA-N 437.459 2.793 0 40 IFAB COC(=O)c1ccc(CNC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 9441716 XDXKDOKVOQIGOD-UHFFFAOYSA-N 445.324 2.765 0 40 IFAB CCOC(=O)C1CCN([C@@H](C)C(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c23)CC1 9501657 JGLMKHSAWNXELS-ZDUSSCGKSA-N 431.489 2.565 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9729805 RQVMGVWUYLKXSI-ICSRJNTNSA-N 425.916 2.631 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc2ccccn12 9792888 NCAJAVLVHUONPD-UHFFFAOYSA-N 445.570 2.943 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O 10167002 ZWNSKOZTFYHQOZ-UHFFFAOYSA-N 449.813 2.951 0 40 IFAB CCc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11795890 BYHTXRONQWPJSL-OAHLLOKOSA-N 435.527 2.866 0 40 IFAB COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1OC 11859152 PWOBWFHKKKSBMV-ZQIUZPCESA-N 430.404 2.869 0 40 IFAB CC(=O)c1cnc2c(C(=O)N3CCC4(CC3)CN(C(C)=O)c3ccccc3N4)cnn2c1C 12086168 SJJQLOYAVVJEGC-UHFFFAOYSA-N 446.511 2.694 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N32)cc1OC 12870609 XEMCJRUBPOTAAK-ZSEKCTLFSA-N 430.482 2.930 0 40 IFAB biogenic O=C(COc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12915807 BXNVSLHDYRJTMK-UHFFFAOYSA-N 426.897 2.532 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 13681173 XKAISBNPMFYWSX-UHFFFAOYSA-N 430.570 2.986 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 13687433 WKJPWCYMCSOQII-YLJYHZDGSA-N 438.509 2.989 0 40 IFAB COCCNC(=O)CSc1ccccc1C(=O)N1CCN(Cc2cccs2)CC1 14201752 NKHAJACOVXWOPU-UHFFFAOYSA-N 433.599 2.561 0 40 IFAB COc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c2C)cc1 15865217 GJNOWRMOFQRDLZ-UHFFFAOYSA-N 425.510 2.944 0 40 IFAB CC(=O)Nc1nc(C(=O)N2CCC[C@@]3(CN(C(C)=O)Cc4ccccc4O3)C2)cs1 19022910 SVFMMNAZDRQUCP-NRFANRHFSA-N 428.514 2.517 0 40 IFAB O=C(CSc1nnc(NC2CC2)s1)NCC(=O)Nc1ccccc1Br 19241339 QJZYFNLUNWPUQA-UHFFFAOYSA-N 442.364 2.722 0 40 IFAB COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)CO2 19445561 GMNVDWBKDLUPLK-OPAMFIHVSA-N 434.496 2.905 0 40 IFAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2ccccc2F)C1 19701955 PBYOLGAZMNBZDD-HNNXBMFYSA-N 427.501 2.716 0 40 IFAB COc1cc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2C(=O)N2CCCCC2)on1 19766687 QNCLHEGUIZJPIY-GOSISDBHSA-N 427.505 2.704 0 40 IFAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@@H]1C 20467117 RIDTUMWMYWONTE-MOKMAUJRSA-N 445.604 2.679 0 40 IFAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(Cl)cc1 20637089 MOVQWURCHKZERE-VQTJNVASSA-N 440.931 2.868 0 40 IFAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nn(CC)cc32)cc1 21713708 BMHNREVBVPJETE-UHFFFAOYSA-N 431.496 2.629 0 40 IFAB COc1cc(C(=O)/N=c2/sccn2Cc2ccccc2)cc(Cl)c1OCC(N)=O 22280700 QAKZUKMFHDQGHD-BSYVCWPDSA-N 431.901 2.865 0 40 IFAB CCOc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1S(=O)(=O)N1CCCC1 22324070 QDSHTDCMMBKPSM-UHFFFAOYSA-N 426.926 2.817 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 22610341 MYGGRQNRLNPROZ-ZDUSSCGKSA-N 445.907 2.733 0 40 IFAB Cn1c(=O)c2cc(C(=O)N(CCc3ccccc3)Cc3cccs3)cnc2n(C)c1=O 23184877 CCJCIMVCKZSUTJ-UHFFFAOYSA-N 434.521 2.579 0 40 IFAB Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c(C)n2n1 23561747 CQCHRKFZHHAKCK-QFIPXVFZSA-N 439.535 2.916 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc2c(c1)OCCO2 24067310 FYBNOXKYJXCUMG-HUYGQZFBSA-N 429.517 2.772 0 40 IFAB Cn1ncc2c(N3CCN(C(=O)c4ccccc4NC(=O)c4cccs4)CC3)ncnc21 24838166 LZEWSGJHIULUMC-UHFFFAOYSA-N 447.524 2.640 0 40 IFAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1CCCc2ccccc21 32571522 YIVUKXMIHORRGD-KBMIEXCESA-N 449.507 2.761 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccc(C)o1 32754866 BOFZQPQMVMULMU-SUMWQHHRSA-N 431.272 2.886 0 40 IFAB O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32761333 IJWMSYXUGFWSMN-AEFFLSMTSA-N 441.553 2.826 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(C)cc4)no3)C2=O)cc1OC 38487665 YHPPSWAMTMFCJY-MOPGFXCFSA-N 448.439 2.556 0 40 IFAB CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)Cc3ccccc3)n2)CC1 38739883 TWENKUZPJMCXFT-UHFFFAOYSA-N 430.530 2.604 0 40 IFAB CCOc1cc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F 39976675 PBEVBOVHAWDJKV-ZDUSSCGKSA-N 429.445 2.804 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 40072314 IRKMHCJRUXAYNH-UHFFFAOYSA-N 433.618 2.761 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 43960211 JDXPMINKFUWKKC-UHFFFAOYSA-N 449.598 2.951 0 40 IFAB COc1ccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1 49411516 UXEVRDDRJMDUBD-UHFFFAOYSA-N 442.472 2.968 0 40 IFAB COCCn1ncc2ccc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)cc21 58015318 IUWZRMJJKSXFNM-AWEZNQCLSA-N 428.514 2.781 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1 58028175 VBSMUSGYUCICNN-IBGZPJMESA-N 443.569 2.659 0 40 IFAB O=S1(=O)CC[C@@H](N2CCN(c3ncnc4cc(-c5ccc(F)cc5)sc34)CC2)C1 58160571 UMIBYPQQWNGBLW-MRXNPFEDSA-N 432.546 2.807 0 40 IFAB CCOC(=O)c1ccn(-c2cccc(NC(=O)C3CCN(C(=O)c4cccnc4)CC3)c2)n1 58357637 AAUJHBMTHNITLT-UHFFFAOYSA-N 447.495 2.935 0 40 IFAB O=C1CCCN1c1ccc(Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)cc1 67259949 IPPUZTDVTIYAPO-UHFFFAOYSA-N 434.887 2.865 0 40 IFAB COc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OC(F)F 71850193 VQMMUASEKQLPMO-CYBMUJFWSA-N 446.497 2.828 0 40 IFAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@H](c3nnc(C(F)(F)F)o3)C1)CS2 77197842 IZLUYEQTABRATG-RYUDHWBXSA-N 443.451 2.705 0 40 IFAB CCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)CCNC(=O)N(C)Cc1ccccc1 78878609 QPEOHKBPOKPULA-XMMPIXPASA-N 425.529 2.899 0 40 IFAB COC(=O)c1ccsc1N1CC[C@H](N2CCC(NC(=O)c3ccccc3C)CC2)C1=O 78953929 WUVPQEBRXBSXGW-IBGZPJMESA-N 441.553 2.843 0 40 IFAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 89977382 QWIKXACROODNSC-MRXNPFEDSA-N 431.920 2.569 0 40 IFAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3cn(C)c4ccccc34)CC2)O1 96144756 YAOCTTNHWXZRON-OAQYLSRUSA-N 449.555 2.677 0 40 IFAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CCS(=O)(=O)c1ccc(F)cc1 100143026 AMELYIMOUPJSFT-YJBOKZPZSA-N 428.489 2.629 0 40 IFAB COc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c(C)c1 222807232 IZKXIIMPAZRCKH-UHFFFAOYSA-N 442.559 2.808 0 40 IFAB O=C(NCCOc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224387337 YUUNSYDYAXOAGU-FQEVSTJZSA-N 448.560 2.995 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224732552 QLYGKQZXYMDJEH-NRSPTQNISA-N 439.556 2.580 0 40 IFAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 224817537 ZAAICTGWCGISRZ-UHFFFAOYSA-N 445.585 2.684 0 40 IFAB CN1CCN(c2cc(C(=O)N3C[C@@H](c4ccccc4)[C@@]4(CCCCC(=O)N4)C3)ccn2)CC1 257204345 AUCDWKFLGKYIQK-BKMJKUGQSA-N 447.583 2.502 0 40 IFAB Cc1c(C(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cnn1C 257244098 IJVNXLOVLOTDCD-FQEVSTJZSA-N 429.908 2.940 0 40 IFAB COCCN1CC2(CCN(Cc3cccc(C)n3)CC2)COc2ccccc2S1(=O)=O 306128473 HBAYKEIYSULTII-UHFFFAOYSA-N 445.585 2.702 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 409056272 GNTIBKLIAJVAHC-WFZBXURCSA-O 430.484 2.720 0 40 IFAB COCCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 409393386 VZVKOZAZZBVFFZ-UHFFFAOYSA-N 434.558 2.968 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccncc1 585262271 OFPMUMSBDOSEFR-NGSHPTGOSA-N 447.510 2.958 0 40 IFAB Cc1ccccc1N1CCC(O)(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 585287598 PKNJSJAEQBISCO-VWLOTQADSA-N 444.547 2.608 0 40 IFAB Cc1cc(F)cc(CN2[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]3OCCS2(=O)=O)c1 1534645796 DZVSBTDBOQSINZ-UXHICEINSA-N 433.505 2.581 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)c(OC)c1 1330930 JLVCOHHUPAISAI-UHFFFAOYSA-N 439.859 2.892 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)C(C)(C)C)cc1 1341914 FUUJOJZKFZZBQP-UHFFFAOYSA-N 430.592 2.533 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC)cc3OC)C2)cc1 1363349 CFPQOLLKDWWGEN-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C[C@H]3CCCO3)cc2c1 1373087 QOGYOUZDZGGNCO-HXUWFJFHSA-N 448.527 2.900 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N32)cc1OC 8952504 ADUXTQYONUYMTA-FPTDNZKUSA-N 444.509 2.607 0 40 IFAB biogenic CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@H]1c1ccc(OC)cc1 9056598 ORMCEUQZDIQIJP-IFMALSPDSA-N 434.500 2.999 0 40 IFAB CCOc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 9206697 QIAAEXVJSJPOMG-UHFFFAOYSA-N 431.514 2.654 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 9365826 OEQZAPIHYXURDD-OAHLLOKOSA-N 438.553 2.988 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nc(-c2ccccc2F)n[nH]1 9634377 NQCBRPRYFWAZAZ-UHFFFAOYSA-N 429.477 2.775 0 40 IFAB CCCC1(CCC)NC(=O)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1=O 11005763 DOIIGQVFJRRXGR-UHFFFAOYSA-N 446.523 2.568 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)[C@@H](C)Oc5ccccc5)CC4)ncnc32)cc1 11665817 KYTYGLCZXRDSRI-GOSISDBHSA-N 443.511 2.635 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)Cc4cccs4)nn23)cc1OC 11693941 OCURRSQFGRXXEP-UHFFFAOYSA-N 439.497 2.608 0 40 IFAB CCn1c(C)cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1C 13037886 ZADIYCONDCMOTR-UHFFFAOYSA-N 432.542 2.952 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)CC1=O 13096707 CDDZEOABDGSOIY-QGZVFWFLSA-N 448.479 2.724 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCc4ccccc4C3)n2C)cc1 13567157 CNWKYWMTLVDSQH-UHFFFAOYSA-N 435.553 2.982 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC 13581449 KKKDEBFSDXNYCT-UHFFFAOYSA-N 445.585 2.684 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 14909856 XFGOURVTAYZVOK-GOSISDBHSA-N 445.585 2.525 0 40 IFAB CS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 17815956 GZBSKMUOLPLBKV-UHFFFAOYSA-N 429.420 2.610 0 40 IFAB Cc1cnc(C(=O)N2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19238829 FNYHEDBPVFEEBU-LAUBAEHRSA-N 425.508 2.735 0 40 IFAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 19451451 NMMQVQHLPCUPCW-FQEVSTJZSA-N 441.557 2.816 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)nc2c1CCN(C)C2 19708536 GSNFHFRTDZYWFC-QGZVFWFLSA-N 440.567 2.878 0 40 IFAB Cc1ccc(C)c(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 19943728 DGVHUOVMOXVAIR-JXMROGBWSA-N 441.597 2.927 0 40 IFAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)N1CCc2sccc2C1 22381930 JLSIRQNSMSVOLD-GOSISDBHSA-N 444.553 2.813 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1nnc2ccccn12 22691067 UXLVISZLEKZBAD-OAQYLSRUSA-N 437.525 2.502 0 40 IFAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22796385 OJQBSPJOLJFGJT-HXUWFJFHSA-N 432.927 2.831 0 40 IFAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 22799569 LLZYFHLYTCGFCH-KRWDZBQOSA-N 445.633 2.738 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3nn(-c4ccccc4F)c(C)cc3=O)CC2)cc1 22987651 PYGCTTWYNYQFTN-UHFFFAOYSA-N 436.487 2.647 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCc3ccccc32)c1 23125311 XIGVCOJWAIEGGD-UHFFFAOYSA-N 443.569 2.757 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O 23674449 WVZGWGNAWBFAHH-UHFFFAOYSA-N 442.516 2.524 0 40 IFAB Cc1cc(C)c(S(=O)(=O)n2cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2)c(C)c1 25763440 PTVHECCMJPHVBX-MRXNPFEDSA-N 437.518 2.566 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 29268577 OYXPHUFLPVGWBZ-UHFFFAOYSA-N 442.541 2.507 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2C1=O 32967405 DQJHLDQJAKDBKX-UHFFFAOYSA-N 427.545 2.848 0 40 IFAB CCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 55071957 MXMRYQYVKMDVMK-UHFFFAOYSA-N 425.529 2.672 0 40 IFAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)NCc1ccccc1Cl 57506726 VUXXJHCUAWNGEI-UHFFFAOYSA-N 435.962 2.985 0 40 IFAB CC(C)c1ccc(OCc2nnc(SCC(=O)NCC(=O)c3ccccc3)n2N)cc1 58264066 LJKBTRPFHVTHAS-UHFFFAOYSA-N 439.541 2.786 0 40 IFAB COC(=O)CN(CC(=O)OC)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S 58305222 OWJGYEDKCKPBNR-UHFFFAOYSA-N 446.554 2.796 0 40 IFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1csc(Br)c1 58640178 LBHFRBRPZKNHLK-UHFFFAOYSA-N 444.303 2.667 0 40 IFAB CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H](O)c1ccccc1 65491275 SRMYXPRXYVKNIU-JLTOFOAXSA-N 432.908 2.704 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3F)c2C)cc1 67323224 CPEPIBHKNSWYDF-UHFFFAOYSA-N 425.420 2.793 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCO)c2C)c(Br)c1 72307281 SUZLCAWLPZDYIT-UHFFFAOYSA-N 427.320 2.589 0 40 IFAB CCC[C@@H]1CN(CC(=O)NCc2cccs2)CCN1CC(=O)NCc1cccs1 79058960 QOHVTFLMWBRZAP-QGZVFWFLSA-N 434.631 2.529 0 40 IFAB Cc1ccc(NC(=O)NC[C@H]2COC(C)(C)O2)cc1NC(=O)NC[C@H]1COC(C)(C)O1 84186124 LAJGAPUAKVIKJB-HOTGVXAUSA-N 436.509 2.541 0 40 IFAB COc1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1 95409243 AWSFXPLDXHJPLR-HXUWFJFHSA-N 448.947 2.693 0 40 IFAB CC(C)(CNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O 95993644 CAWOMKDUNDXIEY-ZIAGYGMSSA-N 426.970 2.934 0 40 IFAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 96004713 AGYDHXVLKKABSD-UHFFFAOYSA-N 449.529 2.552 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 96103647 IXCRIFOITSKIBE-UHFFFAOYSA-N 445.419 2.887 0 40 IFAB O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(Cc2ccncc2)CC4)C1 100233676 NYXKCPZSJKZSBH-IBGZPJMESA-N 446.555 2.894 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 101322943 VIBOSNAORSQBMS-IAGOWNOFSA-N 449.550 2.631 0 40 IFAB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)cc1 101341885 ZPUIQBHQSAJUFT-BZDHPDOMSA-N 425.847 2.910 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)N4CCCN4[C@H]3C2=O)cc1 102687660 OCXOEGZKKXKHMB-IPMKNSEASA-N 442.313 2.993 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)cc1 220323764 FFJMFRXUVWVOEG-OAHLLOKOSA-N 446.504 2.997 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc2c(c1)OCCO2 222741640 OEHDBEHBFZZEGR-AWEZNQCLSA-N 428.510 2.796 0 40 IFAB C[C@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222801340 HEQFVQKXPIHTDK-CQSZACIVSA-N 425.312 2.898 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 224539222 VOJZESOSIKUQQG-UHFFFAOYSA-N 445.585 2.618 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(C)(=O)=O)cc1 224653862 WONOAEIOIGKPRC-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CN1CCN(c2ccc(N)cc2NC(=O)c2cccc(I)c2)CC1 226258803 PXULXWJHVHLFPC-UHFFFAOYSA-N 436.297 2.878 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)CC1)O2 248331771 HYQQCECCFQQJBM-LLBQEJIASA-N 441.572 2.762 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)noc2C)CC1 257203487 AQHJIPJNGWHBMN-WPFOTENUSA-N 427.545 2.670 0 40 IFAB O=C(C[C@H]1CN(C(=O)c2ccccc2F)CC[C@@H]1Oc1ccccc1)N1CCOCC1 257226395 FKMQOZZPFQLBOP-AVRDEDQJSA-N 426.488 2.984 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 409346193 NOVKNGRIVOSXGS-UHFFFAOYSA-N 439.497 2.908 0 40 IFAB C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2)C1 557985973 RAYKBWUAWVTFRQ-YOPKZKFMSA-N 431.552 2.699 0 40 IFAB COc1nc(CNS(=O)(=O)c2cc(C)c(Cl)cc2Cl)nc(N2CCCCC2)n1 575605418 AHSPTZXNITWWJJ-UHFFFAOYSA-N 446.360 2.964 0 40 IFAB COCCN1C(=O)C[C@H](c2ccccc2)C12CCN(C(=O)Cc1ccc(F)cn1)CC2 585113191 LTXYQHYBGNVNFL-OAQYLSRUSA-N 425.504 2.787 0 40 IFAB COc1cc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCCN(C)C 585273015 OMJANFOCBDBHBW-JOCHJYFZSA-N 441.563 2.694 0 40 IFAB COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418721 PWMKSBZXEYPWHQ-CQSZACIVSA-N 435.402 2.940 0 40 IFAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(Cc3cccc(OCCN(C)C)c3)CC[C@@H]2O)c1 643551014 PRNFKXNQVKWQST-ZEQRLZLVSA-N 448.991 2.966 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1 1367527 FPQNBVPMKINTID-UHFFFAOYSA-N 428.963 2.652 0 40 IFAB C[C@@H](NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 3318039 OYTUOJRBJNQHBJ-QGZVFWFLSA-N 430.526 2.895 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCCC1)OCO3 6445518 KEZJNXYBBDHGKS-OAQYLSRUSA-N 448.458 2.616 0 40 IFAB O=C(CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccccc1 8627600 XXBFQFFOOQPZFQ-NRFANRHFSA-N 427.460 2.649 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8680944 IDOKZVLWQAAHJT-HNAYVOBHSA-N 434.514 2.610 0 40 IFAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 8746708 BAZIUQNZHNDTOO-OAHLLOKOSA-N 444.509 2.609 0 40 IFAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 8747235 WDXHAQJTSKDKOY-SNVBAGLBSA-N 442.467 2.616 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 8772358 WWIVNMYYXVGIMV-PUAOIOHZSA-N 433.508 2.972 0 40 IFAB O=C(NCCC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060060 PCFACPKRLGURBI-NRFANRHFSA-N 447.587 2.988 0 40 IFAB O=C(CCNC(=O)c1ccccc1)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 9129323 UWNSVPHHPMQWMH-UHFFFAOYSA-N 425.798 2.838 0 40 IFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9254857 XHUJFIHRNDVCKZ-ZDUSSCGKSA-N 439.859 2.684 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NCCC(C)C)[C@@H]5C3=O)nc2c1 9410651 NPPRPFRBLXMZIG-OQYZPLRDSA-N 427.526 2.754 0 40 IFAB O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9470556 PBEPNJZXSSPRCI-UHFFFAOYSA-N 449.573 2.661 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9493295 MYHCTQJDKPCLTI-UHFFFAOYSA-N 428.432 2.617 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1 9510830 WIUYJKAXCANPKF-UHFFFAOYSA-N 439.476 2.928 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)cc2OC)CC1 9573781 JJNIWSPISYYYAJ-UHFFFAOYSA-N 434.496 2.521 0 40 IFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 9666760 REBHIRRCRVXRFA-REWPJTCUSA-N 441.484 2.721 0 40 IFAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3OC)nc1=O)CCC2 9745436 MGFALKDHGUOGJW-UHFFFAOYSA-N 430.574 2.813 0 40 IFAB CN(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 10025210 PNDFZYAZNJWHEM-JOCHJYFZSA-N 425.554 2.879 0 40 IFAB CCOc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 10111583 UXQRASNZBRRFCO-UHFFFAOYSA-N 439.965 2.612 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccccc5O)c(C)c(C)n34)n(C)c2=O)cc1 10233683 CEQYWESSKXXSQG-UHFFFAOYSA-N 429.480 2.818 0 40 IFAB COc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 10317518 HGTMHUFXHDKHLI-UHFFFAOYSA-N 441.889 2.703 0 40 IFAB CSc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2=O)c1 12263347 PXBWGKRVIHTFKY-HNNXBMFYSA-N 445.566 2.940 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc(O)nc(-c4cnccn4)n3)C2)cc1OC 12329138 FZEPDDPALNOVTN-MRXNPFEDSA-N 435.484 2.605 0 40 IFAB COc1cc(C(=O)NC2CCN(CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc(OC)c1OC 12644598 BPSKNEBUBBKMJO-LPHOPBHVSA-N 447.576 2.602 0 40 IFAB CN(Cc1ccsc1)C(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 12813109 GGIBOGKPUSXPGY-UHFFFAOYSA-N 443.554 2.504 0 40 IFAB COc1ccc(Cn2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2)cc1 13128261 PCMKEAVGPAYTKB-UHFFFAOYSA-N 435.513 2.955 0 40 IFAB COc1cc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc(OC)c1OC 19589814 OFOWWZVVCXWPFT-FQEVSTJZSA-N 430.553 2.541 0 40 IFAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 20019019 YNWPCJXISRFSJA-MRXNPFEDSA-N 448.541 2.745 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 20244354 BKBSQPRZFNVSRL-SFHVURJKSA-N 449.573 2.509 0 40 IFAB COc1ccc([C@H](CC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)NC(C)=O)cc1 22305135 IXGMUYSZOBZELX-AVYPCKFXSA-N 446.573 2.967 0 40 IFAB CCOc1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 22532313 UCXILNOSCLXUEY-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB COc1ccc(OCCN2CCN(C(=O)Cc3cc(C(C)=O)ccc3OC)CC2)cc1 23641190 TUDSKYVQCSCWQH-UHFFFAOYSA-N 426.513 2.672 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)OCc2cc(-c3ccccc3OC)no2)cc1 26266611 GMFDPZMYSVAFII-UHFFFAOYSA-N 430.482 2.934 0 40 IFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1 28813546 KHQVOCIQIFGPDY-UHFFFAOYSA-N 447.900 2.946 0 40 IFAB Cc1cccc(-n2ncc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c1 29462273 FVFGDABVBSMPMT-UHFFFAOYSA-N 440.525 2.762 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H]2CCCN(C)C2)cc1OC 36383627 KCYGLJHIQOKFQT-HNNXBMFYSA-N 434.514 2.756 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 44883269 BIKSPIDNPCDJNJ-KRWDZBQOSA-N 426.542 2.960 0 40 IFAB CCOC(=O)c1c(CC)n[nH]c1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 48991692 HPVAXVGGEDNWOW-UHFFFAOYSA-N 440.953 2.622 0 40 IFAB CCn1cc(C(=O)NCc2ccc(C(C)C)cc2)c(S(=O)(=O)N2CCSCC2)n1 49400413 ITMJRWVZQXOQIS-UHFFFAOYSA-N 436.603 2.694 0 40 IFAB CC[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1OCC(=O)N(C)C 59777176 JDAZRFKTDQSEMA-GOSISDBHSA-N 436.512 2.590 0 40 IFAB Cc1cccc(N2CCN(CCNC(=O)[C@H]3CCCN3C(=O)C3CCCCC3)CC2)c1 69968962 CHMAPFUGIUZXOS-HSZRJFAPSA-N 426.605 2.805 0 40 IFAB CCc1oc(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1COC 72338872 OKDYBCOVUIONPS-HXUWFJFHSA-N 433.530 2.571 0 40 IFAB O=C(CCC(=O)N1CCc2ccc(Br)cc21)N1CCN(c2ccccn2)CC1 95421399 HDNJKTLJCOGUQD-UHFFFAOYSA-N 443.345 2.862 0 40 IFAB Cc1ncsc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 95444181 HCVOKSDAGPAVBR-CVEARBPZSA-N 436.578 2.819 0 40 IFAB CO[C@H]1CCN(c2cc(C(F)(F)F)nc3ncnn23)[C@H](CNC(=O)OC(C)(C)C)C1 96005722 LPDJPVGLTUFRRF-RYUDHWBXSA-N 430.431 2.652 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1OC 96117058 DRUMJUWJBIUXOS-ZDUSSCGKSA-N 446.529 2.907 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 100707248 NLBSLEPPARVKET-IRXDYDNUSA-N 429.889 2.994 0 40 IFAB COc1cc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 220052397 DEMMEVPHPCVLBL-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN(C)c1ccccc1 223112172 XSOPBXUKJJCVTK-OAQYLSRUSA-N 433.574 2.883 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 223700380 LMHUEDWXWCLPGL-UHFFFAOYSA-N 446.554 2.704 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 225785615 AQXHXMIQRBCYQN-UHFFFAOYSA-N 425.308 2.882 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257270978 MWJZNEPCNQLGTJ-QGZVFWFLSA-N 428.876 2.935 0 40 IFAB CN(C(=O)c1cccc(N2CCCCS2(=O)=O)c1)[C@H]1CCCN(c2ccccn2)C1 257290945 QFABRNOAJZHGER-FQEVSTJZSA-N 428.558 2.753 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257328706 XGTVPGDJIIXMHZ-FQEVSTJZSA-N 431.443 2.565 0 40 IFAB CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408590947 ICLMORDAYIBVJL-UHFFFAOYSA-N 432.970 2.871 0 40 IFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 408593678 NCLKUOGNXOEYES-OAHLLOKOSA-N 434.514 2.814 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408660249 NFIOZBKXAZAWSE-AWEZNQCLSA-N 430.844 2.661 0 40 IFAB COc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)c1 408691081 YCUNFVTYJLYWKE-UHFFFAOYSA-N 437.433 2.695 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(C)c(C)c2)cc1 409028880 SDCDHLQNYUACJF-UHFFFAOYSA-N 443.569 2.531 0 40 IFAB CCn1c(SCC(=O)Nc2ncccn2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409124486 HYNLQGRJWAVNHW-AWEZNQCLSA-N 425.518 2.618 0 40 IFAB COc1cc([C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)nc(O)c32)cc(OC)c1OC 670416172 VJYACQPNCKGJQP-CQSZACIVSA-N 428.489 2.918 0 40 IFAB C[C@@]1(c2cccc(CNC(=O)N[C@H]3CC4(CCC4)Oc4ccccc43)c2)NC(=O)NC1=O 1119599350 GODCQFLPTMAYEJ-MBSDFSHPSA-N 434.496 2.987 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)n1 1775970829 SGDOSMOHTXRZHY-UHFFFAOYSA-N 441.557 2.688 0 40 IFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccc(F)c(F)c2)nn1 1889260580 SVYJHJPJVAUVDC-UHFFFAOYSA-N 432.427 2.907 0 40 IFAB COc1ccc(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(N)=O)cc1OC 2226154 NINMUZUHRNPIKD-INIZCTEOSA-N 447.944 2.777 0 40 IFAB CC(C)C[C@H](C(=O)OCC(=O)N1CCc2ccccc2C1)N1C(=O)c2ccccc2C1=O 3313716 CMNIAMUMZQGWOH-OAQYLSRUSA-N 434.492 2.825 0 40 IFAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(NC[C@H]1CCCO1)n2Cc1ccccc1 4019685 HQLAVNBTTDGILO-HXUWFJFHSA-N 445.523 2.584 0 40 IFAB CCOc1ccc(-n2c(-c3ccc(OC)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9087455 QVWSPHUHEBKDGB-UHFFFAOYSA-N 445.479 2.750 0 40 IFAB Cc1c(N(Cc2ccc(Cl)cc2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C 9426064 JJPAYPGTUNWTTK-UHFFFAOYSA-N 434.949 2.951 0 40 IFAB CC1CCN(C(=O)C2CCN(C(=O)[C@@H](C(=O)c3ccccc3)n3ccccc3=O)CC2)CC1 9659895 ULDAONYYYRPCKV-HSZRJFAPSA-N 449.551 2.769 0 40 IFAB O=C(CN(Cc1ccco1)C(=O)Cn1cnnn1)Nc1ccc(Cl)c(C(F)(F)F)c1 9983530 NACJUDAXILHOIR-UHFFFAOYSA-N 442.785 2.606 0 40 IFAB COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(OC)c1 9985597 MYIBYBGABOEKKY-FATZIPQQSA-N 446.500 2.567 0 40 IFAB O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 10496811 QRDCSIGMCVZFGH-SOFGYWHQSA-N 440.974 2.893 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)c1cccs1 12086028 WNWZWHHHSGYAFG-SMASLZHESA-N 426.542 2.878 0 40 IFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 12815428 JTCWHEXTRGLUAY-NRFANRHFSA-N 441.553 2.691 0 40 IFAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3C)cc2)C1 12982536 IUMINFAGMIIDSV-GOSISDBHSA-N 430.526 2.750 0 40 IFAB C[C@H](Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 12989481 HSCQKJKMPDAPAZ-HOCLYGCPSA-N 445.545 2.905 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(F)c1)N1CCCCC1 13013007 PXHPBSAFSYHDAH-UHFFFAOYSA-N 442.509 2.891 0 40 IFAB Cn1c(=O)c2cc(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)cnc2n(C)c1=O 13020431 OZQLXJACNWURSB-OAQYLSRUSA-N 440.459 2.898 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 13038341 SMYXQWFSCSUDFY-QGZVFWFLSA-N 433.549 2.572 0 40 IFAB CN1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 15880146 NZNDGHNTLAIGFU-NSHDSACASA-N 447.007 2.638 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 15882164 JAONQUMIMYRJJO-UHFFFAOYSA-N 426.498 2.790 0 40 IFAB COc1ccc([C@H](NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2nccn2C)cc1 16474978 LUSHYLDOXMGNGS-IBGZPJMESA-N 437.525 2.723 0 40 IFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)N[C@H]1CCCc2ccccc21 16589393 ZPBXZCOACHWNET-QHCPKHFHSA-N 436.556 2.587 0 40 IFAB Cc1ccnn1CCC(=O)N[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)C(C)C 19238506 YYMKDGUKMGGSKU-FQEVSTJZSA-N 429.471 2.925 0 40 IFAB COc1ccccc1C(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(N)=O)C1 19568836 AHPZUKFDTLGZDE-RUZDIDTESA-N 431.492 2.696 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H](C)c3ccc(C)cc3)CC1)C2=O 19699314 ZQJHCEJYCFBMBR-LJQANCHMSA-N 440.588 2.886 0 40 IFAB Cn1c(C(=O)N2CC[C@@H](c3ncccc3C(=O)N3CCOCC3)C2)cc2cc(F)ccc21 19708042 IZTQMXXQSRNMDS-MRXNPFEDSA-N 436.487 2.815 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)c4ccccc4)CC3)nc2n(C)c1=O 19744805 OTXQAMZIIDRUET-UHFFFAOYSA-N 446.429 2.671 0 40 IFAB CNc1cc(CC2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)nc(C)n1 19757686 DDZKGOWPCQMTBQ-UHFFFAOYSA-N 443.573 2.597 0 40 IFAB COC(=O)c1c(C)nc2ccn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1-c1ccccc1 19962847 PGJGQDKRZKPMDT-UHFFFAOYSA-N 449.488 2.795 0 40 IFAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1C[C@@H](C)O[C@H](C)C1 20193454 AOOASYRDZJCKBR-ZIAGYGMSSA-N 433.505 2.800 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc3c(c2)OCCCO3)c1 21417792 WLDXMRKTEAEBBT-UHFFFAOYSA-N 439.873 2.700 0 40 IFAB Cc1nn(CN2CCN(Cc3cccs3)CC2)c(C)c1S(=O)(=O)N1CCCCC1 22797673 QPPVODRUYRZEIB-UHFFFAOYSA-N 437.635 2.511 0 40 IFAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)Nc1ccccc1 22852799 BOVOMZSIBCONJS-UHFFFAOYSA-N 433.508 2.975 0 40 IFAB CCN(CC)Cc1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 24928099 IXVHSSLEVQYOIY-UHFFFAOYSA-N 431.558 2.802 0 40 IFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 24975932 LRXAWOVJMDFUNG-UHFFFAOYSA-N 428.392 2.998 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 32889057 MQOQNGGKGYZWGS-AWEZNQCLSA-N 434.418 2.929 0 40 IFAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(Cc4ccccc4)CC3)nn1C)C2 36365164 PGYIGFZKNYEZIG-UHFFFAOYSA-N 432.524 2.967 0 40 IFAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(F)cc1Cl 49409263 QKVWUKVGURAHSY-UHFFFAOYSA-N 441.912 2.844 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 57490179 ZVPQJXMTSUIWEU-UHFFFAOYSA-N 449.488 2.948 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCC(O)CC3)cc2c1 57594866 OAOSNDOPNKQHME-FQEVSTJZSA-N 440.548 2.605 0 40 IFAB Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69774913 BUUCJPJEQKAUOW-UHFFFAOYSA-N 436.516 2.917 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc(F)cc2)C1 72314587 XRLXIHQWGFPPJV-GOSISDBHSA-N 425.507 2.698 0 40 IFAB COCCn1nc([C@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)n(C2CC2)c1=O 77150154 DZZOSPBXCZMENZ-HNNXBMFYSA-N 427.530 2.656 0 40 IFAB COC(=O)c1nc(NC(=O)Cn2nc3c(cc2=O)CCCC3)sc1Cc1ccccc1 96345610 MBUSNLBXWUISDJ-UHFFFAOYSA-N 438.509 2.595 0 40 IFAB COc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c(OC)c1 100069173 DJJFFWJROZOSFP-CQSZACIVSA-N 447.451 2.827 0 40 IFAB COc1ccccc1N1C(=O)[C@@H]2NN=C(C(=O)C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 101363257 GCXHKNRHZSTLPF-JTHBVZDNSA-N 439.471 2.914 0 40 IFAB CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 113944884 XRTIRMZJRKVMEA-CQSZACIVSA-N 448.416 2.746 0 40 IFAB Cc1cccc(CSCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219434333 UWQIGEHINJXQOH-UHFFFAOYSA-N 432.567 2.969 0 40 IFAB Cc1ccccc1OCCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 223640215 FUTSQTISWABAQX-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 223779686 LOYKIMNLFSIAMB-OAHLLOKOSA-N 448.541 2.988 0 40 IFAB C[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224111785 JXLUDNLOJUJPON-CQSZACIVSA-N 438.933 2.625 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(OC)cc1 225470603 SLEDXAUULAGOML-AWEZNQCLSA-N 435.318 3.000 0 40 IFAB CCOc1ccccc1N(CCCC(=O)Nc1nnc(SC)s1)S(C)(=O)=O 225742867 PDZBQBFOOLEOAT-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 408648587 ZKEZENRPJVZEKL-UHFFFAOYSA-N 432.498 2.608 0 40 IFAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NCCCN(C)C)c2C1 643570974 OWGMZIDKNQJXDA-UHFFFAOYSA-N 446.636 2.895 0 40 IFAB C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H]1Cc2cc(Br)ccc2O1 1180728732 HTIMKPRNTAQZQD-QUCCMNQESA-N 430.302 2.670 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 810048 UDQQZVSQWLCTBX-UHFFFAOYSA-N 445.585 2.663 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)n1 1035330 ABWLLIXGLRTVPK-UHFFFAOYSA-N 433.299 2.591 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)cc1 2630812 JOKZKVJPNLWUQG-KRWDZBQOSA-N 434.496 2.875 0 40 IFAB Cc1nnc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)s1 2725897 PAIFXNNOPMRDCO-UHFFFAOYSA-N 429.483 2.953 0 40 IFAB COc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)N2CCNCC2)cc1 8400266 DSCNMZQUMOIXTK-RGEXLXHISA-N 444.329 2.660 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1 9095631 VGIQLEDYAWJERS-QGZVFWFLSA-N 435.590 2.909 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 9224673 OQXUPXSSPOSENE-UHFFFAOYSA-N 432.527 2.928 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)cc1Cl 9253163 MVVLAHKMMLXRDI-NSHDSACASA-N 426.325 2.779 0 40 IFAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@H](C)NC(=O)c1ccccc1 9263950 YHXQGNOLOONXQG-NSHDSACASA-N 431.547 2.680 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 9465962 MSFCMVJUJGWJLJ-VQIMIIECSA-N 437.496 2.606 0 40 IFAB CCOc1ccc2nc(COC(=O)c3cc(OC)cc(OC)c3)c(C(C)=O)[n+]([O-])c2c1 9497480 LVXCMFZAHZISJF-UHFFFAOYSA-N 426.425 2.844 0 40 IFAB COc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc(=O)oc2c1 9633957 UXRVTPWIYBKMHN-UHFFFAOYSA-N 443.477 2.943 0 40 IFAB O=C(NCCCn1ccc2ccccc21)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9876093 XAPRHEQEBSQFDG-FQEVSTJZSA-N 436.537 2.761 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 10112236 XXNDUELWIPHRHV-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB O=C(CSCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796086 SKTJQXBHRYTDMZ-UHFFFAOYSA-N 447.626 2.578 0 40 IFAB O=C(N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1)C1(c2ccccc2F)CC1 12089465 LBNFBKKYAGLRKX-FQEVSTJZSA-N 429.517 2.826 0 40 IFAB Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc(Cc2ccccc2)c1=O 12348233 PUFKNXFXIFQETB-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 12404010 DJDJRUCAGHRMHY-UHFFFAOYSA-N 441.303 2.600 0 40 IFAB CN(CCOc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1cccs1 12738604 FFOXEQMXNOSFKO-UHFFFAOYSA-N 447.376 2.669 0 40 IFAB COc1ccc(-c2nc(CN3CCN(S(=O)(=O)N4CCCCC4)CC3)cs2)cc1 12787245 CSERYONQIZIILC-UHFFFAOYSA-N 436.603 2.667 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O 12800041 LKVXSMHXCQNTCR-UHFFFAOYSA-N 435.322 2.557 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12805874 AFCVYTWXTSVZND-YOEHRIQHSA-N 448.416 2.995 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 12913553 QSOYGJRNGJCUTE-GFCCVEGCSA-N 430.885 2.810 0 40 IFAB COc1ccc(-c2csc(NC(=O)COC(=O)CNC(=O)c3cccc(F)c3)n2)cc1 13134217 WBYMBYSZCGNJEQ-UHFFFAOYSA-N 443.456 2.870 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 13298454 VXFJYXUZANRPDJ-GVVDHYSOSA-N 430.545 2.773 0 40 IFAB in-man CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc21 13610488 GNLZFAUHBITJDP-UHFFFAOYSA-N 443.569 2.760 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)nc(O)c2C1 19014765 OQCFKGFYXVRMBZ-VQTJNVASSA-N 442.560 2.880 0 40 IFAB O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349311 YCPHUXWVOUQXCE-NRFANRHFSA-N 433.487 2.840 0 40 IFAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 19694717 KUXXRUOIKBITMM-LJQANCHMSA-N 445.523 2.703 0 40 IFAB CCOC(=O)c1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1Cl 20489445 ZSKNSGAGHBEBGI-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB Cc1c(CC(=O)N2CCN(CCc3ccncc3)CC2)c(=O)oc2cc(O)c(Cl)cc12 20624446 HURLFNKATZMRSQ-UHFFFAOYSA-N 441.915 2.785 0 40 IFAB Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 22228677 YRCACYCFWGGMRC-UHFFFAOYSA-N 443.569 2.775 0 40 IFAB Cc1cc(C)cc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1 22249297 GORLHUWCKCNPGT-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCCC2=O)cc1 32769077 HCAFNYRGDDPBRF-OAQYLSRUSA-N 447.532 2.572 0 40 IFAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 35362790 XDTNHCXJWMGECR-UHFFFAOYSA-N 443.931 2.877 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3F)CC2)cc1 36614599 IPKACLCSRXNVOH-UHFFFAOYSA-N 435.496 2.598 0 40 IFAB COCC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)cc21 38699681 YXOJCXAQQBPICA-UHFFFAOYSA-N 444.553 2.976 0 40 IFAB CC(C)CN1CCO[C@@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 40023967 KJZMXBIPLCQKAM-ZDUSSCGKSA-N 428.327 2.699 0 40 IFAB COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1 44902132 NNZYEONINWDNKQ-UHFFFAOYSA-N 430.935 2.708 0 40 IFAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCN(C(=O)c2cccs2)CC1 57350844 QJLWLNUSCMXPHN-UHFFFAOYSA-N 432.977 2.508 0 40 IFAB COc1ccc(N(C)C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC 58016535 IVRSOMJOKFXDSW-UHFFFAOYSA-N 441.484 2.874 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NCCc2ccc(O)cc2)c1 69380075 DTWAQMNTDKFTPG-UHFFFAOYSA-N 434.562 2.853 0 40 IFAB COc1cccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c1OC 72340579 HPYRYBLRJLYZKG-JOCHJYFZSA-N 440.519 2.980 0 40 IFAB Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)COCCN2CCCC2=O)n1 72372641 CDIMTGZQMCVFGS-HXUWFJFHSA-N 441.507 2.970 0 40 IFAB Cc1ncn(CC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)c(=O)c1C 77197922 GCNGFPRBTDVFGH-OAHLLOKOSA-N 427.505 2.924 0 40 IFAB Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 79494594 PQPDFUBBXVELTN-CQSZACIVSA-N 442.878 2.667 0 40 IFAB COc1cc2nc(C)n(CCNC(=O)CCc3c[nH]c4ccccc34)c(=O)c2cc1OC 85879024 IRDOZRHMAIOFBO-UHFFFAOYSA-N 434.496 2.952 0 40 IFAB biogenic CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)cc2n1 100146810 QBFXQGWQBDSWOT-GOSISDBHSA-N 443.529 2.736 0 40 IFAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2c2nccs2)cc1 206778682 QEEPURONLRPRDJ-INIZCTEOSA-N 436.603 2.504 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 223599937 QDWRRDBUUBBPTB-UHFFFAOYSA-N 442.493 2.530 0 40 IFAB CC[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 224113199 SYSDBIJIVVISBG-GOSISDBHSA-N 436.530 2.746 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCCC2)c1)c1cccc(F)c1 224659239 CLOIKXBPYGRUNK-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CCN2C)c1 257325713 WUCSDRPZLNPSQA-HSZRJFAPSA-N 435.568 2.918 0 40 IFAB Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)s1 306142521 XBROGZWMQVUKDS-JOCHJYFZSA-N 430.574 2.530 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 408651265 CYMFCFGTBZEMNV-KRWDZBQOSA-N 430.501 2.916 0 40 IFAB CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)S1(=O)=O 575414177 IDSRJQACBZYGES-UHFFFAOYSA-N 439.497 2.542 0 40 IFAB Cn1c(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc2ccccc2c1=O 576900698 JQKBNXNAVLUNMD-JOCHJYFZSA-N 431.492 2.959 0 40 IFAB O=C(c1cc(-c2cccs2)on1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148524 RMNMDKKZBMBMGZ-UHFFFAOYSA-N 442.419 2.834 0 40 IFAB CN(C(=O)CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)N(C)C2=O)C1)C1CCCCC1 2037873353 CGFBVSJMPUYYAO-NMVJMZGASA-N 427.589 2.824 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccccc1)OCO3 919270 YLONWUZPLLSZIW-KRWDZBQOSA-N 442.493 2.627 0 40 IFAB CCOC(=O)[C@@](Nc1ccccc1C(=O)O)(NS(=O)(=O)c1ccccc1)C(F)(F)F 3067631 DEGHIKUGYZECCM-QGZVFWFLSA-N 446.403 2.597 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N(C2=CCCCC2)C2CC2)C1=O 7470921 LYWHEIBOBJFNEN-QHCPKHFHSA-N 425.485 2.674 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 8608744 TZUPIRPEMBMRMP-UHFFFAOYSA-N 432.436 2.597 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)COc1ccc(-c2nnco2)cc1 8988487 WEJIJFHQOYBRIH-UHFFFAOYSA-N 445.273 2.941 0 40 IFAB COc1ccc(NC(=O)[C@H](NC(C)=O)C(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 9203417 JPHLAEOYMGUPBA-LJQANCHMSA-N 437.493 2.734 0 40 IFAB COc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccccc1 9405103 UYFUHETYVBXYKK-UHFFFAOYSA-N 433.493 2.974 0 40 IFAB O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 9579962 PMKWEFMDZGGEHB-UHFFFAOYSA-N 431.540 2.947 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 9666474 CXKMTPKWDRUSGO-UHFFFAOYSA-N 445.431 2.966 0 40 IFAB COc1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCCC3)cc1 9747875 BDSPPBYXWLZYJZ-UHFFFAOYSA-N 430.574 2.813 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CCC(=O)c1cc(C)sc1C 9842277 FNPPBFRDHDCJGM-UHFFFAOYSA-N 446.525 2.943 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 10444840 WVMAMEGJQJHWLD-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB COc1cc(NC(=O)CNC(=O)c2ccccc2Br)ccc1N1CCCC1=O 11446254 JMUCEVKNUWXAIO-UHFFFAOYSA-N 446.301 2.953 0 40 IFAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 11689747 KEBOBLQGCOVHLR-HNNXBMFYSA-N 434.525 2.951 0 40 IFAB COc1cccc(C(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)c1 11914211 PARSELTXEHVGGY-ZDUSSCGKSA-N 428.304 2.880 0 40 IFAB COc1ccccc1CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 12371755 MRBHFKKCMUEQEW-UHFFFAOYSA-N 435.889 2.678 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)c1 12530283 JDKQCEHZAUWYMP-UHFFFAOYSA-N 445.522 2.696 0 40 IFAB COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C(C)C)s2)CC1 12643360 ZERUPIOGOZUDEM-UHFFFAOYSA-N 435.575 2.582 0 40 IFAB COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1 12684845 CBWJLMAWYJDPNQ-UHFFFAOYSA-N 432.498 2.893 0 40 IFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12795977 DCZVEJMLDZYMLT-UHFFFAOYSA-N 430.917 2.877 0 40 IFAB COc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12869504 UUJKZYKFELWWGA-UHFFFAOYSA-N 429.951 2.626 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)NC3CCCC3)CC2)cc1C 14253789 NSJHCYQMDHIITF-QGZVFWFLSA-N 436.574 2.695 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)c1 14412906 PXCAOHMPKHWAFW-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1 15968854 SWVRIMJCONVLAH-GBWYYYKWSA-N 433.508 2.580 0 40 IFAB biogenic O=C(COc1ccc(I)cc1)NCCc1ccc2c(c1)OCCO2 16045073 AZKXRYVAJCYVDD-UHFFFAOYSA-N 439.249 2.800 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3)cc2n1 19452390 MRLRUCHAVHCHMA-STQMWFEESA-N 444.479 2.622 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@@H]3c1ccc(F)cc1 20308470 UTTGJNPAUKBYJK-OAQYLSRUSA-N 438.455 2.818 0 40 IFAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCN(S(C)(=O)=O)CC4)c(C)c3cc12 20427617 VVARLWNVZGHHJI-UHFFFAOYSA-N 446.525 2.501 0 40 IFAB COc1ccc(CCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1OC 22386053 ZQHPGEQPXQQLMO-UHFFFAOYSA-N 434.558 2.952 0 40 IFAB COC(=O)c1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)o1 23077599 FVLIJWVNDLWSCN-UHFFFAOYSA-N 435.498 2.827 0 40 IFAB COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 23818479 CZXTWSJAXQSLDH-TZIWHRDSSA-N 441.553 2.688 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 23873206 VKWIXHOUUWPTRA-HXUWFJFHSA-N 437.569 2.685 0 40 IFAB COc1cc(OC)nc(NS(=O)(=O)c2ccc(N3Cc4ccccc4C3=N)cc2)n1 28115542 ZLYQAVVMQCQHSQ-UHFFFAOYSA-N 425.470 2.640 0 40 IFAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@H]1CCCc2ccccc21 32571523 YIVUKXMIHORRGD-UQBPGWFLSA-N 449.507 2.761 0 40 IFAB CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)c1OC 36369874 UAZYDKNVVJSUFS-UHFFFAOYSA-N 447.495 2.965 0 40 IFAB biogenic CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)o1 40154143 UVUPQHXYRFDPQQ-UHFFFAOYSA-N 445.497 2.618 0 40 IFAB CCOc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O 46005218 NSLJQLKIKMNYTE-UHFFFAOYSA-N 432.436 2.929 0 40 IFAB Cc1oc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 57997430 QCVPBEGRGUBFLK-QGZVFWFLSA-N 447.513 2.742 0 40 IFAB O=C(NCCNc1ncccc1C(F)(F)F)Nc1cccc(Cn2cccnc2=O)c1 58067006 SFIKNBAVJKBVNZ-UHFFFAOYSA-N 432.406 2.939 0 40 IFAB C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 72286677 GUJXRCHJXAGPQO-QTEAWJPNSA-N 428.602 2.893 0 40 IFAB CCCC(=O)N1CCc2nc(C3CCN(C(=O)c4ccccc4F)CC3)[nH]c(=O)c2C1 72398901 UMACDBMCDMPISQ-UHFFFAOYSA-N 426.492 2.614 0 40 IFAB Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cn1cnc2ccccc2c1=O 89702558 DDGMLLXIXKJXSK-HXUWFJFHSA-N 442.523 2.987 0 40 IFAB CCOC(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 95966975 DAQFZFVIPLOPEJ-HUUCEWRRSA-N 435.498 2.724 0 40 IFAB O=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N1CCC(Cc2ccccc2)CC1 96395606 IZDJTCKIGKPIOI-UHFFFAOYSA-N 431.544 2.755 0 40 IFAB CCCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101421092 HAYUXCHZXQPHEW-BGJMDTOESA-N 436.537 2.848 0 40 IFAB O=S(=O)(Cc1ccco1)[C@@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 206695515 AMBRUHDCHOCZSG-OAHLLOKOSA-N 439.433 2.556 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 219118544 BNHZVOAXJRGAKU-CQSZACIVSA-N 438.506 2.798 0 40 IFAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1C 223954864 PSEDMLUFPXIUAO-OAHLLOKOSA-N 426.485 2.931 0 40 IFAB O=C(COc1ccccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224313561 VDDSKSGQSOZDSR-UHFFFAOYSA-N 438.933 2.699 0 40 IFAB O=C(O)CN(c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)OCCO2 224828589 SUPMWKYEDGGZMM-UHFFFAOYSA-N 428.260 2.500 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224915997 OOVITDGHEKREED-INIZCTEOSA-N 445.541 2.851 0 40 IFAB O=C(NCc1ccco1)c1cc(C2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)n[nH]1 225560809 NCTNCNYFLNOIBK-UHFFFAOYSA-N 436.468 2.610 0 40 IFAB CN(C)C1CCN(C(=O)c2nc(-c3cnc(NC(=O)C4CC4)s3)n3ccccc23)CC1 306144065 YVBCQLCLKOYXNX-UHFFFAOYSA-N 438.557 2.973 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2C(=O)OC)cc1Cl 408597310 UVRMBOAVZYKTRK-GFCCVEGCSA-N 440.905 2.831 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 409204648 IYCUUZCZADIRFJ-QGZVFWFLSA-N 449.548 2.630 0 40 IFAB O=C(O[C@@H]1C(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 409294954 CMJOOMLYBOEPQY-JDCPMNFLSA-N 433.460 2.995 0 40 IFAB O=C(CNC(=O)N1CCc2ccccc2C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 553510805 NPGQHWIYLRJUKG-SANMLTNESA-N 432.568 2.879 0 40 IFAB CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cn(C)nc4C(=O)O)cc3C2=O)cc1 575410873 OQIAFHLKQSDQLI-UHFFFAOYSA-N 434.408 2.570 0 40 IFAB COc1ccc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1OCC(N)=O 1547208570 QIAJIEKOWPLBGU-OAQYLSRUSA-N 446.463 2.890 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3NC(=O)C[C@H]3c3ccccc3)c2)C1 1654089494 UPVSWFMRLBMEDB-FVJLSDCUSA-N 441.553 2.972 0 40 IFAB Cn1c(CN2CCN3[C@H](C2)C(=O)N(Cc2ccccc2)C32CCOCC2)nc2ccccc21 1772595384 RFMYHAUFWLKZNE-HSZRJFAPSA-N 445.567 2.609 0 40 IFAB CC1CCN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 3395436 XQEJYHVHZLAPIH-UHFFFAOYSA-N 428.938 2.540 0 40 IFAB COc1ccc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1OC 3403522 KCXUJNLZPBKVBO-UHFFFAOYSA-N 425.445 2.889 0 40 IFAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3432229 NSACJOIVHHVFDY-UHFFFAOYSA-N 430.404 2.858 0 40 IFAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6089032 BDALCJQWQQXFGR-UHFFFAOYSA-N 444.494 2.881 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 8328251 XHBUKHULSUYUMV-WNSKOXEYSA-N 425.485 2.974 0 40 IFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1 8383890 HBRZSAKOSHWWTD-KRWDZBQOSA-N 425.437 2.651 0 40 IFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC)c(OC)c1 8940397 YHFARONFXZCSNP-UHFFFAOYSA-N 430.534 2.817 0 40 IFAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9085298 WONYQDGMMVXMSY-UHFFFAOYSA-N 442.493 2.985 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1 9159033 NBEZVFUWBMAGIP-DDOIHHOZSA-N 437.883 2.780 0 40 IFAB COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1 9242797 XVDRCRYFKQYHMV-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ccn3n2)cc1 9321148 VYSHNYKCNHLGGS-UHFFFAOYSA-N 432.436 2.582 0 40 IFAB Nc1nc(SCC(=O)Nc2cccc(F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 9518196 YQKLMAWLLSRFBB-UHFFFAOYSA-N 449.414 2.753 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1=O 9725877 PTLOUVCZNLUJLW-XMMPIXPASA-N 446.463 2.615 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CCC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 12087063 YMNQUQJMXSIIPG-GOSISDBHSA-N 426.517 2.945 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2CO)c1 12231089 VMOPHQPIZLHJPY-UHFFFAOYSA-N 442.443 2.715 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)c(C)c2)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 12276801 SYCBXTBNPIHEPW-UHFFFAOYSA-N 433.468 2.780 0 40 IFAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 12468189 KYRGRLBASAZZSZ-WMZOPIPTSA-N 437.466 2.914 0 40 IFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2cnn(C)c2)CC1 12766265 FDWHSYIHYFESEX-BQYQJAHWSA-N 444.601 2.881 0 40 IFAB COc1ccc([C@@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c2ccccc2)cc1 12817766 NNSHEIKYVQUMOL-QHCPKHFHSA-N 429.476 2.994 0 40 IFAB O=C(COc1cccc(Cl)c1)NCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 15082202 YTSYOXDKOLNCON-UHFFFAOYSA-N 435.267 2.968 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1OC 16047558 VLXKYMXCKYIVDA-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB CCc1nc(N2CCCC2)ncc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 19521512 CZEVSTXLBSISOC-UHFFFAOYSA-N 434.544 2.656 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@H]3c1ccc(C)cc1 20308775 CLVLKQBDXGHHBZ-QFIPXVFZSA-N 434.492 2.987 0 40 IFAB Cc1nn(C)c2ncc(NC(=O)CCn3cnc4ccc(Br)cc4c3=O)cc12 22473157 JWJFJEXFULKYGS-UHFFFAOYSA-N 441.289 2.778 0 40 IFAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 23082445 LWUMLJFRFRQJEQ-UHFFFAOYSA-N 443.617 2.640 0 40 IFAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 26110249 ANESUXBQFQQVPU-INIZCTEOSA-N 448.416 2.699 0 40 IFAB COc1cc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1 28301690 KDQIURUJRQBRSU-VOTSOKGWSA-N 431.441 2.925 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1cccc(F)c1 29813758 XNYHFBNZCPXPEJ-IBGZPJMESA-N 431.427 2.921 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30939761 XXRKZVQTNJSKKR-FQEVSTJZSA-N 445.541 2.772 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3-n3cccc3)CC2)cc1 32069482 VUBMCCDIKMTERE-UHFFFAOYSA-N 425.510 2.633 0 40 IFAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3nnc([C@@H]4CCCO4)s3)cc2s1 36354249 YEXUUNQLMBJPBO-JTQLQIEISA-N 425.517 2.623 0 40 IFAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)cc1OC 44891457 AQRGORFLOMWUIV-FQEVSTJZSA-N 433.468 2.927 0 40 IFAB COc1ccc([C@H](C)NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 49400889 IOZZBKVOHKDJOZ-SFHVURJKSA-N 446.551 2.996 0 40 IFAB O=S1(=O)CC[C@H](N2CCN(c3ncnc4cc(-c5ccc(F)cc5)sc34)CC2)C1 58160572 UMIBYPQQWNGBLW-INIZCTEOSA-N 432.546 2.807 0 40 IFAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccccc1OC 60388145 GJRUAKLVRWQVPY-QGZVFWFLSA-N 429.469 2.780 0 40 IFAB CC(=O)N(C)c1nc2ccccc2n(CC(=O)Nc2ccccc2Br)c1=O 64987505 KCVJATLVRRHPGB-UHFFFAOYSA-N 429.274 2.780 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N1CCN(C(C)C)CC1)NC2=O 72339179 FFOCZTRFLMQFOT-GGDAVEFXSA-N 427.545 2.503 0 40 IFAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 72394229 AZADVYVITDUELL-CQSZACIVSA-N 436.917 2.816 0 40 IFAB COc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCN(c2cc(C)ncn2)CC1 79046338 MTXMZFZEEAUFML-UHFFFAOYSA-N 426.517 2.940 0 40 IFAB CC(=O)N1CCN(Cc2ccc(NC(=O)[C@@H](CC(C)C)N3CCCCC3=O)cc2)CC1 95991545 SZAQIBOXWJVZBI-JOCHJYFZSA-N 428.577 2.716 0 40 IFAB COc1cccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 220169186 KBGGTWATQATYMJ-MRXNPFEDSA-N 447.557 2.874 0 40 IFAB Cc1ccccc1N(CCCC(=O)NCc1nc(-c2cccs2)no1)S(C)(=O)=O 222563991 CGCKXEQSSWKVCD-UHFFFAOYSA-N 434.543 2.969 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225069202 PJCSUWVOJMDJPR-KRWDZBQOSA-N 449.554 2.792 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 225539385 MNTSJAKKYYPUNL-UHFFFAOYSA-N 433.427 2.774 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225562953 PAFBEQQVUZWPFH-UHFFFAOYSA-N 446.508 2.709 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)C3CCCC3)CC2)C1 257339295 ZBCLZMBTADTLFF-VWLOTQADSA-N 440.588 2.507 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408694389 FMEUWJZRGXLXEV-UHFFFAOYSA-N 447.557 2.638 0 40 IFAB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(Br)c(Br)c1O 409040781 IFZNLHRDKJQBFN-DAXSKMNVSA-N 436.125 2.955 0 40 IFAB O=S(=O)(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc2c(c1)CCCC2 585147645 MDKQGUFZHJPLML-UHFFFAOYSA-N 447.582 2.578 0 40 IFAB Cc1nc(N2CCOCC2)cc(N2CCN(CCc3ccc(Br)cc3)CC2)n1 1889139499 BYMWUJGYXWQKTC-UHFFFAOYSA-N 446.393 2.749 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1cccs1 631403 JSBZIBSZMZQZKI-LYPXWFNGSA-N 440.546 2.868 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4cccc(Cl)c4)c3[nH]2)C1 1352080 UFHPGJGVCBGPMZ-AWEZNQCLSA-N 428.924 2.968 0 40 IFAB CCCCN(C(=O)c1ccc(OC(F)(F)F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 3417975 TUSMTVHSIRAKCS-UHFFFAOYSA-N 428.411 2.874 0 40 IFAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2sc3c(c2c1=O)CCCC3 3549146 AFHBHMJFBRASLZ-UHFFFAOYSA-N 440.550 2.951 0 40 IFAB Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 8720783 ZZVJGUMGQJCLDC-UHFFFAOYSA-N 425.466 2.850 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)O)c1ccccc1 9129571 VKPFZCMHCWMCPF-GKCIPKSASA-N 438.484 2.512 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@@H]3CCCO3)ccc2C)cc1 9139059 OIUTVWNZPVTYTF-IBGZPJMESA-N 446.525 2.556 0 40 IFAB CN(c1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1)S(C)(=O)=O 9222730 JEFDPXFOLIUOBG-UHFFFAOYSA-N 447.494 2.836 0 40 IFAB O=C(c1cncn1-c1ccc(F)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9378147 JHCKNECDVJIPDE-UHFFFAOYSA-N 446.479 2.687 0 40 IFAB COc1ccccc1Cn1c(SCC(=O)Nc2ccccc2)nc2nccnc2c1=O 9405258 WPOAYSBREJLLLT-UHFFFAOYSA-N 433.493 2.974 0 40 IFAB CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)NCCc3ccccc3)c(=O)oc2c1 9418593 RTIKFINKGZXZBB-UHFFFAOYSA-N 437.448 2.853 0 40 IFAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 9593874 DARISZRBMUOEPA-RBUKOAKNSA-N 437.525 2.572 0 40 IFAB COc1cccc(-n2c(SCC(=O)Nc3nnc(C)s3)nc3c(c2=O)SCC3)c1 9603035 IAOCQBPXJPYSBA-UHFFFAOYSA-N 447.567 2.780 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973185 YZMMFNIZONRWGU-HUUCEWRRSA-N 444.557 2.883 0 40 IFAB CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)c4c(F)cccc4F)CC3)sc2c1 10337299 BKXDQMAYXWUWLW-UHFFFAOYSA-N 437.493 2.940 0 40 IFAB CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Br)s2)c1 10601619 AQXAIFMOZYMUIG-UHFFFAOYSA-N 432.317 2.849 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)Nc3cc(C)on3)cc2)c1 10787143 FVLXDRCPINGHGX-UHFFFAOYSA-N 439.424 2.805 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1Cl 11904998 WLMWMHPGOHBYRP-LBPRGKRZSA-N 428.919 2.762 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 12656471 SPFHQSRGNRTRJC-WXGCWKKZSA-N 436.574 2.968 0 40 IFAB CSc1ncc(C(=O)O[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1-c1ccccc1 12813181 JVOBAMNMJPDYJL-LBPRGKRZSA-N 437.481 2.948 0 40 IFAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)N2C=C1 12880224 XWFULUMEKSHGCG-VWLOTQADSA-N 434.540 2.937 0 40 IFAB C[C@](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)(C(=O)O)c1ccccc1 13253150 DKNUJERRXNFYHN-OAQYLSRUSA-N 429.498 2.528 0 40 IFAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 13349688 NTIMTHFMGOUGAW-UHFFFAOYSA-N 444.918 2.624 0 40 IFAB COC(=O)C1=C(CNCc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 13566249 DFJFGBMRFCNVAM-FQEVSTJZSA-N 445.903 2.928 0 40 IFAB Cn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3 13655306 XIDWYPNYLZCTAS-UHFFFAOYSA-N 438.553 2.809 0 40 IFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1 14707498 YMRSNRRGIOXPMQ-UHFFFAOYSA-N 444.359 2.884 0 40 IFAB COc1cccc(CN(C)CC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)c1 14921797 XOZHHASBAYRDJZ-UHFFFAOYSA-N 432.329 2.720 0 40 IFAB COc1ccc(CC(=O)Nc2ccc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1 15500429 FDGKQGNCQKGPJF-UHFFFAOYSA-N 438.933 2.859 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 16504090 UIIMGVUSNMUFAL-UHFFFAOYSA-N 439.896 2.617 0 40 IFAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 17854340 JOFHUQIERCCPPU-UHFFFAOYSA-N 431.558 2.636 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Br)cc4)[C@@H]3C2=O)cc1 18162389 XYFJKFDMRHZTCA-IRXDYDNUSA-N 442.273 2.689 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2CC(=O)N(C)C2CCCCC2)n1 19709777 TZEUJBKPHVUGMP-FQEVSTJZSA-N 430.597 2.815 0 40 IFAB COc1cc2ncc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)c2cc1OC 20381835 IKSUVDJKBLBFKT-UHFFFAOYSA-N 427.526 2.837 0 40 IFAB O=C(O)C[C@H]1S[C@]2(C(=O)Nc3ccc(Br)cc32)N(c2ccc(O)cc2)C1=O 22996493 JQIHEIDOZZYZID-RDTXWAMCSA-N 449.282 2.883 0 40 IFAB CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)OCCCO3)n([C@H]2CCS(=O)(=O)C2)n1 28621986 YAYRMIHIUVMFAE-HNNXBMFYSA-N 433.530 2.954 0 40 IFAB COC[C@H](C)NC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616029 KXPZMFRZTSSLHS-GXTWGEPZSA-N 448.570 2.593 0 40 IFAB O=C([C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1)N1CCOCC1 32741722 UXXMBZLZJQNYRE-OFNKIYASSA-N 438.505 2.759 0 40 IFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 32745452 DXKBUZNGROZARD-UHFFFAOYSA-N 433.461 2.511 0 40 IFAB CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@H]1CCS(=O)(=O)C1 32904935 QGKYXMNMXYDQPR-IBGZPJMESA-N 427.526 2.871 0 40 IFAB NC(=O)N[C@@H](CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(Br)c1 32995822 WBRNOGURXGFMRV-GJZGRUSLSA-N 434.290 2.505 0 40 IFAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCc1ccc(Cl)cc1 35506025 VXICKUWLUZNQAP-UHFFFAOYSA-N 436.855 2.862 0 40 IFAB O=C(Nc1cccnc1)c1ccccc1OCc1ccc(S(=O)(=O)N2CCOCC2)o1 38489262 GTZMWTKPGJCWSA-UHFFFAOYSA-N 443.481 2.527 0 40 IFAB O=C(CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 38600567 JBZGUCKHGQNWDY-SFHVURJKSA-N 428.441 2.989 0 40 IFAB in-vitro COc1cc(-c2nnc(COC(=O)c3ccccc3S(C)(=O)=O)o2)cc(OC)c1OC 39964472 YDYCXQSYIWCCSJ-UHFFFAOYSA-N 448.453 2.523 0 40 IFAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(C(F)(F)F)n[nH]1)C2=O 40071139 KZZBBMNJWNBVTB-UHFFFAOYSA-N 430.431 2.679 0 40 IFAB CC1=NN(c2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cc2)CC1 40154161 BRPWVTYJPQVOOF-UHFFFAOYSA-N 444.532 2.995 0 40 IFAB CN(CCCC(=O)NCCCCOCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 40156004 PQPAWTIJXXBWLQ-UHFFFAOYSA-N 428.448 2.702 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3cccc(C)c3C)nccn2c1=O 49008528 SNAVRRAPLOPYIV-UHFFFAOYSA-N 447.451 2.725 0 40 IFAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(OC)c3)cc2)s1 54360563 FASZHDQYVHUMRK-UHFFFAOYSA-N 448.526 2.927 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 58144041 VDHBIFFCUGKQIW-WOGXIUBCSA-N 426.561 2.501 0 40 IFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95938933 FLJARLFRPUHVQQ-HOTGVXAUSA-N 439.578 2.716 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 101166514 XQPTWDUEAMYXSE-DLBZAZTESA-N 442.273 2.689 0 40 IFAB Cc1c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 216349428 LXJJNHYDLBNIFD-UHFFFAOYSA-N 434.905 2.762 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1cccc(C)c1)S(C)(=O)=O 220526745 ZASPJAQVOCEUSU-GOSISDBHSA-N 428.514 2.906 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)ccc1OC 223597244 MIVPVPLKFNQLDY-UHFFFAOYSA-N 444.513 2.707 0 40 IFAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224691850 MSTMWOFRJBZGLU-UHFFFAOYSA-N 439.563 2.709 0 40 IFAB O=C(NCC(=O)N1CC[C@@H](Oc2ncccc2Br)C1)OCc1ccccc1 238815183 BGZBYJPWSWMNHS-OAHLLOKOSA-N 434.290 2.750 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 253487504 LETHFPKVHTZPFC-HAGHYFMRSA-N 435.867 2.946 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)C 257257720 KQVJYLOZDMKFKB-FQEVSTJZSA-N 448.571 2.757 0 40 IFAB O=C1O[C@@]2(CCCN(Cc3ccnc(N4CCOCC4)n3)CC2)CN1Cc1ccccc1 257261592 LHZUYUCACAMSFK-XMMPIXPASA-N 437.544 2.690 0 40 IFAB Cc1ccc(C(=O)NC[C@H]2CC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)CC2)c(=O)n1C 257314196 UVSOYWXZXFXSLO-GPMSIDNRSA-N 442.585 2.954 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(C(=O)CC(C)C)C[C@@H]3c3cccnc3)C2=O)cc1 306125856 DDYMTLUFCVRDMS-RDGATRHJSA-N 437.540 2.860 0 40 IFAB O=C1C[C@H](c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)N2NC=NC2=N1 409377924 KPVVAOBMFCUUCH-MRXNPFEDSA-N 442.273 2.643 0 40 IFAB CN(C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 585283037 OVMBHSYFBNEJQG-GOTSBHOMSA-N 434.964 2.657 0 40 IFAB Cc1cc(I)ccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 781586 ZHZSTDCTVBRBOI-UHFFFAOYSA-N 431.251 2.807 0 40 IFAB COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)cc1Cl 886573 XISFSKUOHSAJHA-MRXNPFEDSA-N 438.933 2.839 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c1 3216994 IGBZRFJORLOTQB-UHFFFAOYSA-N 449.843 2.782 0 40 IFAB O=C(COc1c(Br)cc(Br)c2cccnc12)N1CCNC1=O 9125596 IBENAOIXTLDBHE-UHFFFAOYSA-N 429.068 2.690 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 9191076 CTWMYRUWOPTFLB-GOSISDBHSA-N 449.507 2.954 0 40 IFAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9305025 MECLFYPZIMUJIJ-QGZVFWFLSA-N 444.582 2.841 0 40 IFAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9631325 SCXUCYQEHLHTSN-DHZHZOJOSA-N 432.473 2.805 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H]1C 9632557 RXRYRPFYOSLBSI-MBOZVWFJSA-N 436.574 2.959 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 9806152 SDKONTNGMVOVIL-LJQANCHMSA-N 429.542 2.520 0 40 IFAB COc1ccc(C)c2sc(N3CCN(C(=O)CS(=O)(=O)c4ccccc4)CC3)nc12 10166344 HEJNJKGUQMZPQQ-UHFFFAOYSA-N 445.566 2.736 0 40 IFAB CCOc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C(C)C)cc1 11375686 HNLSGKXAQIQXAR-IBGZPJMESA-N 433.549 2.919 0 40 IFAB O=C(c1ccccn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089339 IMKYKNGEMYSWAO-LJQANCHMSA-N 430.512 2.790 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2)c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12276792 PNXJVHWICBGQIL-UHFFFAOYSA-N 437.406 2.540 0 40 IFAB CN(CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1)c1ccccc1 12537909 JJFKRMCTKZYRBB-UHFFFAOYSA-N 444.601 2.793 0 40 IFAB COc1ccc(OCCNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)cc1 12556563 RZZJNVCQBHZQFX-UHFFFAOYSA-N 440.525 2.968 0 40 IFAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1 12745221 MAFCTUWUQIBNBJ-UHFFFAOYSA-N 443.569 2.524 0 40 IFAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 12803045 DLLUJSAZWMCOFB-VMSUTVGLSA-N 442.537 2.707 0 40 IFAB O=C(NCc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 12892235 KQJNAGFUOFNHFR-HZLPDVBGSA-N 427.504 2.809 0 40 IFAB Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1F 13011825 YNILEOUFNRZTDS-UHFFFAOYSA-N 442.516 2.608 0 40 IFAB CCc1cc2c(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc(=O)oc2cc1O 13030250 BSWWUHXVTVJLDO-UHFFFAOYSA-N 442.537 2.876 0 40 IFAB CC(C)Nc1nn(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c(=S)s1 13073638 ZEYKJNDTBPQSIM-UHFFFAOYSA-N 449.574 2.737 0 40 IFAB FC(F)(F)c1cccc(N2CCN(Cc3nnnn3Cc3ccc4c(c3)OCO4)CC2)c1 13505168 HDJVTQMSKDCVTL-UHFFFAOYSA-N 446.433 2.791 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 13688670 DHYXKXIJNPPOQP-UHFFFAOYSA-N 429.542 2.880 0 40 IFAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14162056 KFHVFWQXMCCTCR-DEOSSOPVSA-N 446.463 2.965 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1 15512805 GGTQYUUTLFSCBG-LLVKDONJSA-N 432.951 2.917 0 40 IFAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(Cl)cc2)n(C)c1=O 17440283 JKOXWGHGRCREBM-UHFFFAOYSA-N 449.942 2.694 0 40 IFAB COC(=O)C1=NN(c2ccccc2OC)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 17993043 ANGORLZBWOWZGT-SJLPKXTDSA-N 427.844 2.564 0 40 IFAB CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)N2CCC(O)CC2)CC1 19085161 ZJNJCOHGHXNFKM-NRFANRHFSA-N 441.572 2.818 0 40 IFAB Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19345595 MEZAQIZJHKMUSI-WOJBJXKFSA-N 427.497 2.938 0 40 IFAB C[C@@]1(C2CCN(C(=O)CN3CCOCC3)CC2)CCCCN(CCc2ccccc2)C1=O 19743988 IVAAOXODNUNPTI-SANMLTNESA-N 441.616 2.819 0 40 IFAB COc1ccc(C)cc1CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 22790320 MZQGDUOQDYHGDH-LJQANCHMSA-N 436.556 2.885 0 40 IFAB O=C(c1ccoc1)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 25237873 XLZBVGPQKCYGMH-UHFFFAOYSA-N 439.493 2.679 0 40 IFAB CCn1ncc2c(C(=O)NCc3cccc(S(N)(=O)=O)c3)cc(-c3ccccc3)nc21 25271176 OQRGAXQDTWAJCZ-UHFFFAOYSA-N 435.509 2.696 0 40 IFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 31034434 KUIUWAZJMHGGCT-IBGZPJMESA-N 433.455 2.733 0 40 IFAB Cc1nc2c(C(=O)NC3CC3)nc(-c3ccc(F)cc3)cc2n1[C@@H]1CCS(=O)(=O)C1 32616497 NCAINNPUIGMQPF-MRXNPFEDSA-N 428.489 2.798 0 40 IFAB C[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1Cl 32946807 DAWLHVWIXRCITH-LLVKDONJSA-N 438.962 2.844 0 40 IFAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2cccc(Cl)c2)CC1 35289935 NBVROXVBPALHSR-OAQYLSRUSA-N 442.951 2.893 0 40 IFAB COc1ccc(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c(OC)c1 35432337 SUCZOJGYWRFJBP-UHFFFAOYSA-N 426.448 2.786 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@@H]1c1ccc(F)cc1 36612243 DBGOFKQCEOGWRU-QJKHOBJASA-N 443.525 2.702 0 40 IFAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 36700183 QGGUQWHFLNBNNG-OAQYLSRUSA-N 431.558 2.777 0 40 IFAB COc1ccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1NC(=O)OC(C)(C)C 40120310 JRXOYJVQGSQJCU-CQSZACIVSA-N 442.538 2.588 0 40 IFAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@@H](c4nncn4C)C3)c2)c1C 48290468 LNZFIOUBFQAHFQ-MRXNPFEDSA-N 437.504 2.897 0 40 IFAB COc1cccc(Cn2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccsc3c2=O)c1 57426154 WSPHGTRIDLNZLN-INIZCTEOSA-N 445.566 2.902 0 40 IFAB CCN(CC)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)o1 58158437 LWEMRBHIYNYVRX-UHFFFAOYSA-N 445.585 2.757 0 40 IFAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 63594003 VVTJYHPDLXKBGL-KRWDZBQOSA-N 443.525 2.568 0 40 IFAB COc1ccc(S(=O)(=O)NC(=O)c2cc(Br)ccc2F)cc1NC(C)=O 65490955 KPUOWVACMKADBS-UHFFFAOYSA-N 445.266 2.674 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O 67235500 BFXUPXKDKJPTPH-UHFFFAOYSA-N 446.463 2.836 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 67288829 KCDFRMSTYYUVHO-QFIPXVFZSA-N 435.480 2.506 0 40 IFAB CNc1nc(C2CCN(C(=O)CCN(C)c3cccc(F)c3)CC2)nc2c1CN(C)CC2 72372282 HJYGVAIQAVCRDX-UHFFFAOYSA-N 440.567 2.878 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCOCC2)nc2c1CCCN2CCc1ccccc1 72372918 CDLHEVODLAEDNL-QHCPKHFHSA-N 449.599 2.776 0 40 IFAB O=C(NCCCc1nnc2ccccn12)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 79485595 ZFPGUZLYLOXPCX-UHFFFAOYSA-N 447.948 2.675 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 80338260 LAMVWUXGLDKKBH-MRXNPFEDSA-N 430.936 2.885 0 40 IFAB O=C(COC(=O)c1ccc2n[nH]c(=O)n2c1)NCCC(c1ccccc1)c1ccccc1 89826227 USBXLBCWXQRWDU-UHFFFAOYSA-N 430.464 2.518 0 40 IFAB COc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105227 ZQWXFISLIXZFGX-UHFFFAOYSA-N 447.421 2.940 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3n[nH]c4cccc(F)c34)C1)CC2 96345410 RFUMHEJDQFUJLK-OAHLLOKOSA-N 438.459 2.657 0 40 IFAB COc1ccc(CCN2CC(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 96355808 MEOZQKBFKJCBQI-LEWJYISDSA-N 448.972 2.714 0 40 IFAB CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 97379373 YSYCZKXMHKCAJO-CHWSQXEVSA-N 442.891 2.532 0 40 IFAB CN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2CCCO)c2cc(Br)ccc21 100023657 RAQUQCBWUSCYJQ-INIZCTEOSA-N 442.313 2.844 0 40 IFAB CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 101104225 UCASHEFULBEDKL-YDZRNGNQSA-N 438.281 2.917 0 40 IFAB COc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 102014734 HMFVNIBUVSOZIM-VJANTYMQSA-N 447.896 2.848 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccccc1CN1CCc2ccccc21 195529376 YMDLGCXXGKIUIB-LYWNTADJSA-N 427.504 2.995 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 220292920 LLPKJOPQOWKLEZ-SFHVURJKSA-N 444.601 2.794 0 40 IFAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223056927 WGMDKGFYLXBPST-DEOSSOPVSA-N 437.584 2.875 0 40 IFAB CCOc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 223652030 LYFFQXNJZRESIW-UHFFFAOYSA-N 426.922 2.700 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 223662226 OPTHSLVONOQPPR-UHFFFAOYSA-N 446.447 2.675 0 40 IFAB COc1ccc(CNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1OC 224739723 KMLNOVULHSFIRK-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225468428 PHRHSEXEOPJKJQ-UHFFFAOYSA-N 429.542 2.864 0 40 IFAB Cc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015746 XQKNYJPTNDSKJZ-UHFFFAOYSA-N 426.527 2.984 0 40 IFAB C[C@@]1(C(=O)NCC2CCOCC2)CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1 257318383 VNRGNZOMLRKLIF-HSZRJFAPSA-N 430.524 2.806 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260836451 PRSBMJCJJYBBIB-JKSUJKDBSA-N 448.541 2.888 0 40 IFAB COc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccc(OC)c2)c1 408709500 BWQKXGGTRXPQLL-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB CN(C)CCCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O 524729305 NHUAPGXQVNKSBQ-MRXNPFEDSA-N 438.480 2.817 0 40 IFAB biogenic COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)Cc5ccn(C)n5)CCO4)ncn3c2)cc1 585113175 WSPWEXGEKFTAMT-QFIPXVFZSA-N 431.496 2.886 0 40 IFAB CCOCCCNc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccsc12 585148670 WFUMSQPMDWEAAB-UHFFFAOYSA-N 431.543 3.319 0 40 IFAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 5706772 IMKAKHAILFSCIT-RYGJVYDSSA-N 428.485 2.845 0 40 IFAB Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1C[C@@H]1CCCO1 6156109 FATODYWLQRIVST-SFHVURJKSA-N 434.514 2.695 0 40 IFAB COc1ccc(CC(=O)NCCn2ncc3c(NCC(C)C)nc(SC)nc32)cc1 8942791 KEQGCDDEORMRTH-UHFFFAOYSA-N 428.562 2.984 0 40 IFAB COc1ccc(CCNC(=O)CSCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 9337958 REFXWOJMIVTTRG-HNNXBMFYSA-N 426.542 2.841 0 40 IFAB CCOC(=O)c1c(NC(=O)c2ccc(C(=O)OC)cc2)sc2c1CCN(C(C)=O)C2 9383200 AQKUQCZOUONOIL-UHFFFAOYSA-N 430.482 2.868 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)NC1CCCC1 9442343 NDCFWRZCYCLZJX-ZACQAIPSSA-N 436.574 2.957 0 40 IFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O 9540463 XHPQTFLDSQYFNS-PIGZYNQJSA-N 441.269 2.730 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)c1 9807399 MASMUSLFKDDMQQ-LJQANCHMSA-N 443.569 2.828 0 40 IFAB COCCCn1c(C)cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc12 9829532 RMEONAVNHONWBL-UHFFFAOYSA-N 431.496 2.696 0 40 IFAB COc1cccc(Cn2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)c3cccnc32)c1 9830989 STBYOVWWUVGLIJ-UHFFFAOYSA-N 447.491 2.875 0 40 IFAB CCN(CC)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 10401475 OEKNJBBAWMRHSI-UHFFFAOYSA-N 430.526 2.853 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 11659429 BJELOFGFCMCVMH-UHFFFAOYSA-N 425.894 2.614 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@H](C)c3nn(C)c(=O)c4ccccc34)nn2c(O)c1C 12154033 IWJLVXZXNYYCHJ-KUHUBIRLSA-N 446.511 2.766 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Oc3cccc(Br)c3)c2)CC1 12906676 UPGOVSLZHJCPGP-UHFFFAOYSA-N 439.331 2.604 0 40 IFAB COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1nnc(-c2ccc(Br)cc2)n1 12919185 UPIYUSHFMNYSIR-MRXNPFEDSA-N 447.289 2.754 0 40 IFAB NC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc21 13564627 QGFKYVMVASGVAE-ZDLGFXPLSA-N 434.477 2.802 0 40 IFAB COc1cccc(N2CCN(C(=O)CCn3cnc4c([nH]c5ccc(F)cc54)c3=O)CC2)c1 14001295 UFUCFDRPKUQTTQ-UHFFFAOYSA-N 449.486 2.764 0 40 IFAB COc1ccc2cc(CN(C)C(=O)CSc3nnnn3C[C@@H]3CCCO3)ccc2c1 14129395 GUZTTYZGTHGVCZ-IBGZPJMESA-N 427.530 2.765 0 40 IFAB CCN(CC(=O)NCc1cccs1)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 14182942 OMEQMAIKNDJBAY-UHFFFAOYSA-N 440.569 2.984 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 14254383 UDGFTCCKHILLQE-FATZIPQQSA-N 439.468 2.694 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)[nH]c(=O)c2C1 19292804 LIBHCLDZEVLFEZ-LJQANCHMSA-N 442.466 2.710 0 40 IFAB O=C(c1ccccn1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19400128 UJYGDEHGLOCTPQ-OAQYLSRUSA-N 430.512 2.898 0 40 IFAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1OC 19549749 BLMALLFRWDGVAD-MRXNPFEDSA-N 437.500 2.632 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(Cc1ccccc1F)C2 19558771 SPUZXHQGWQHPDD-SFHVURJKSA-N 438.463 2.548 0 40 IFAB COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCCN(S(C)(=O)=O)C4)nc32)cc1 19706713 WAIALHUYVLICHG-GOSISDBHSA-N 430.574 2.885 0 40 IFAB C[C@@H](NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)c1nc2ccccc2[nH]1 19751547 AIOJRVOVCLXVAS-OAHLLOKOSA-N 447.470 2.671 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 19756272 DCMYPXZWPNWYFM-NRFANRHFSA-N 426.517 2.641 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCCOC(C)C 20007266 ZVJJYPWDKVXHIU-HXUWFJFHSA-N 448.585 2.825 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CC2)c1 21965571 GORWZXYMMZQPOG-MHECFPHRSA-N 426.561 2.780 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)c1 22230068 IYOUAJPTKFIEBU-NRFANRHFSA-N 443.569 2.506 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccc(OC)cc1)S(C)(=O)=O 22252363 JQUMWWGNGYYVAC-AWEZNQCLSA-N 436.530 2.989 0 40 IFAB COc1ccccc1N(CC(=O)NCCCc1cccc(OC(C)C)c1)S(C)(=O)=O 22362592 YMONVJZZCDDFDZ-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(N[C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 23627202 LUMLKGKXZRLLBP-QFIPXVFZSA-N 427.570 2.758 0 40 IFAB Cc1nc(C)n([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 27194443 BCDMEMDALKVFIB-MRXNPFEDSA-N 441.557 2.532 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(-n3cncn3)cc2)ccc1C 32935137 QNAHWESEZWNQJZ-UHFFFAOYSA-N 427.530 2.536 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 33040043 CDLMWIDPEDSMAM-ZDUSSCGKSA-N 443.978 2.744 0 40 IFAB Cc1cc(C)n(-c2cc(SCC(=O)N3CCN(c4ccccc4F)CC3)ncn2)n1 49404246 URUSKOMLQYRACR-UHFFFAOYSA-N 426.521 2.859 0 40 IFAB COC(=O)c1cc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc(C(=O)OC)c1 57364062 CPHGAKXABONRKI-UHFFFAOYSA-N 445.903 2.674 0 40 IFAB O=C(C[C@@H](CN1CCN(CCc2ccccn2)CC1)C(=O)O)Nc1ccc(Cl)cc1 71288960 OUIOOMABGLYODS-KRWDZBQOSA-N 430.936 2.625 0 40 IFAB CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 72309578 CUJYSULDAXASTP-UHFFFAOYSA-N 446.569 2.778 0 40 IFAB O=c1ccc(-c2ccc(Br)cc2)nn1CN1CCN(c2ccccn2)CC1 72406284 GGWMSPRCASRIIE-UHFFFAOYSA-N 426.318 2.848 0 40 IFAB CC(C)c1cc(Br)ccc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 89893291 PQOWICHXEBVKGA-UHFFFAOYSA-N 445.111 2.824 0 40 IFAB COc1ccccc1CNC(=O)[C@@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 95482679 XUJYMPSQKGRQHK-MRXNPFEDSA-N 430.936 2.885 0 40 IFAB COc1cc(OC)c(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1Cl 96121420 XKRGSLOGCIJMNJ-UHFFFAOYSA-N 436.900 2.694 0 40 IFAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCCC[C@@H]4C)cc32)n1 96267831 SZQRARLTGOMVQE-YJBOKZPZSA-N 431.562 2.785 0 40 IFAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@@H]1CC[C@@H](C2)N1C(=O)c1ccn(C)c(=O)c1 100222913 PQGDLFBARZSSCP-HKUYNNGSSA-N 430.512 2.887 0 40 IFAB CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 102180295 JOLLQMKTBNRFLD-IHRRRGAJSA-N 428.938 2.898 0 40 IFAB Oc1ccc([C@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)cc1 111999927 OIXCRNQNALISOZ-INIZCTEOSA-N 438.245 2.999 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH]c(N3CCCC[C@H]3C)nc(=O)c21 139105557 WZSYRFYNHLHSHA-DGCLKSJQSA-N 445.907 2.875 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1=O 195530729 RVKCMPYSZJYMFU-IDOBQSHNSA-N 428.529 2.921 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 219980229 KSYVVWNGZGHXSS-UHFFFAOYSA-N 426.498 2.760 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1CCN1CCOCC1 223134876 BNXQEPHNXVNXRU-VXKWHMMOSA-N 437.569 2.829 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1F 223601873 YYRSJPVSQRYVPD-UHFFFAOYSA-N 437.449 2.722 0 40 IFAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(C(=O)OC)cc3)n2)cc1 223638170 CRVOKZKJIYFTOA-UHFFFAOYSA-N 445.497 2.884 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 224172489 FYNXPBHAKQVZEK-LJQANCHMSA-N 448.541 2.888 0 40 IFAB CN(CC(=O)NCCCN1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1 225237682 QHJRDIUZZZOIQG-UHFFFAOYSA-N 435.977 2.525 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Nc2ccccc21 257231097 GFFHBMPBKGXKMC-KISOLHGJSA-N 448.523 2.552 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1nnc(-c2ccccn2)o1 257307132 SXINLPPLFOKNOX-INIZCTEOSA-N 428.470 2.819 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 408606326 OVWOIVVHWLKMIU-UHFFFAOYSA-N 432.420 2.648 0 40 IFAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccc2)cc1 408710179 RIPRVWBQUQWGDZ-UHFFFAOYSA-N 431.492 2.923 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 409391757 OKQLNOGWDMBBBO-UHFFFAOYSA-N 434.514 2.876 0 40 IFAB COCCOC(=O)c1sc2ncn(CC(=O)Nc3cccc(C)c3C)c(=O)c2c1C 1971074 HUBIYNWQOLFUOZ-UHFFFAOYSA-N 429.498 2.825 0 40 IFAB Cc1ccc(SCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1 3766883 MBUJVPPAJFAGSS-UHFFFAOYSA-N 435.553 2.995 0 40 IFAB CC(=O)c1cccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)c1 9526211 CFUOJACGGJSJPV-UHFFFAOYSA-N 443.569 2.621 0 40 IFAB COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1Cl 9695205 YRUHOSLZAZFKQJ-RDDDGLTNSA-N 443.308 2.782 0 40 IFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCCO2 9828726 KIMDAGLLGCZAPA-UHFFFAOYSA-N 431.495 2.896 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 10095913 CGJKSYOCXALEDD-HNNXBMFYSA-N 441.937 2.635 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)cc1 10337593 LITWGUSVEUDEPF-UHFFFAOYSA-N 447.582 2.684 0 40 IFAB O=S(=O)(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 10518387 NINYMCNRAOREAF-UHFFFAOYSA-N 437.362 2.752 0 40 IFAB O=S1(=O)CC[C@@H](n2nc(-c3ccccc3)cc2NS(=O)(=O)c2ccc(F)cc2)C1 11795928 DVDKCLYKRGPETL-MRXNPFEDSA-N 435.502 2.850 0 40 IFAB Cc1ccccc1OCC(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11913997 NOZUOQSBIILBSU-CQSZACIVSA-N 442.331 2.945 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)cc2n1 12161302 ADJAVDBNLWEQGK-IBGZPJMESA-N 442.541 2.697 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1 12545260 ADEGHHGBGUMQBL-UHFFFAOYSA-N 442.994 2.684 0 40 IFAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 12853930 ZBQQODNDIGBZMF-UHFFFAOYSA-N 441.509 2.989 0 40 IFAB COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 13508535 ROZHEKBPQQNADJ-QHCPKHFHSA-N 447.495 2.870 0 40 IFAB COc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@H]2CCS(=O)(=O)C2)cc1OC 13757452 NUIIUJCDICIRJT-IBGZPJMESA-N 447.553 2.915 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3OC)CC2)cc1 17970414 RUWPCVUEQXFYDP-INIZCTEOSA-N 432.542 2.982 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)c4cccs4)nn3c(O)c2C1 19017971 SQNKCZUTWUFUEV-QGZVFWFLSA-N 425.514 2.768 0 40 IFAB CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C3CCC(C)CC3)[nH]c(=O)c2C1 19524162 MNLNFBHUHGIYTK-LBXVMSDZSA-N 438.576 2.900 0 40 IFAB COc1ccc(CC(=O)N2CC[C@H](c3nc(-c4cccnc4OC)cc(=O)[nH]3)C2)cc1C 19571044 IMCKBWODDVHJJR-KRWDZBQOSA-N 434.496 2.716 0 40 IFAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@H]1CCCN(Cc2ccncc2)C1 19699953 ADNSHHYZMOKSCB-QHCPKHFHSA-N 447.583 2.675 0 40 IFAB Cc1nc([C@@]2(O)CCCN(C(=O)CN3CCOCC3)CC2)sc1COc1ccccc1 19705218 IXTIRALMPLRBSK-HSZRJFAPSA-N 445.585 2.563 0 40 IFAB COc1cc2c(cc1CN1CC[C@@H](c3cc(C(=O)Nc4nccs4)[nH]n3)C1)OCCO2 19707703 ANDXOMPIERORMG-CYBMUJFWSA-N 441.513 2.888 0 40 IFAB C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O 20467274 WUCHLTJKSMIIEI-WLULSOSOSA-N 428.577 2.657 0 40 IFAB biogenic,in-vitro CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566959 AQBCUPGBFSNXOC-XCBFCAQUSA-N 442.519 2.930 0 40 IFAB COC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc12 23322824 JWIIKMBVLQXJLK-UHFFFAOYSA-N 441.509 2.851 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1ccc(OC)c(OC)c1 30752214 AVLHMWGVXWISHY-UHFFFAOYSA-N 436.530 2.970 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 31598543 LRQLBUPRNQIZMV-SJORKVTESA-N 432.542 2.982 0 40 IFAB CSCC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32899917 KPOPCGXMTXIMLO-HBMCJLEFSA-N 443.613 2.628 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccco3)c2)CC1 32976347 GSTTXCADCBNHNB-UHFFFAOYSA-N 425.938 2.531 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)Nc2cnccn2)CC1 40151449 FTZHELBJDKQHTL-ZDUSSCGKSA-N 432.322 2.917 0 40 IFAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 44900228 DZOVKESHGXAYFM-IBGZPJMESA-N 448.541 2.821 0 40 IFAB COc1ccc(Cc2nnc(C3CCN(C(=O)c4cn(C)nc4OC)CC3)s2)cc1 49422494 WKWSNVYLAXKXGA-UHFFFAOYSA-N 427.530 2.899 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 57415614 RFOYSQKKJICSQG-JOCHJYFZSA-N 444.551 2.947 0 40 IFAB CCN1CCN(c2ccc(N[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 58170350 WWGWTZRJEKKJSU-JOCHJYFZSA-N 435.616 2.973 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)nn1-c1ccccc1F 79107340 IDDSJOAOWHQBRE-UHFFFAOYSA-N 433.436 2.616 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4nccn34)CC2)c1 95401366 YEJCQJSXJODBHX-UHFFFAOYSA-N 426.498 2.576 0 40 IFAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1 96231782 RRBXOCIPZLYEQC-INIZCTEOSA-N 428.514 2.522 0 40 IFAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@H](C2)N1C(=O)c1ccn(C)c(=O)c1 100222905 PQGDLFBARZSSCP-IEBWSBKVSA-N 430.512 2.887 0 40 IFAB CC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@@H](C)c5ccccc5)CC4)nn3c(O)c2C1 100729263 DRBMLNWRTWEBHE-INIZCTEOSA-N 447.539 2.849 0 40 IFAB CC[C@@H](C(=O)NCCCc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 219085308 KHOTVIWPBJJVIL-IBGZPJMESA-N 434.558 2.997 0 40 IFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)cc1 223602586 AQSXSHUYLRANNB-UHFFFAOYSA-N 446.485 2.581 0 40 IFAB COCCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 257252528 JVCKWBATTODKGB-JOCHJYFZSA-N 438.952 2.613 0 40 IFAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4cccc(C)c4)CC3)CC[C@@H]2O)cc1 585282691 MXBRLTABDDOYPM-AHWVRZQESA-N 440.584 2.511 0 40 IFAB COc1ccccc1CCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585283417 FFEIWYJHJYCASD-HSZRJFAPSA-N 446.931 2.833 0 40 IFAB O=C(NCc1ccccc1)[C@H]1C[C@@H](NCc2ccncc2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O 2332241935 MHLQEVYKYHKABS-KKSHJYNMSA-N 431.540 2.621 0 40 IFAB CCOC(=O)Cn1nnnc1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 926235 NXWPFOZTAXOCKZ-UHFFFAOYSA-N 438.532 2.721 0 40 IFAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)Cn1c(=O)cnc2ccccc21 9126538 USXODPOQISDOPR-UHFFFAOYSA-N 426.889 2.968 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccs2)c1 9447560 VPRYFNYEYQXSDK-UHFFFAOYSA-N 429.523 2.942 0 40 IFAB O=C(NCCCn1cnc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9466793 KYJFGBFSCBNQPE-UHFFFAOYSA-N 432.933 2.951 0 40 IFAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCS[C@H]1c1ccccc1F 9744578 KIPXKYXGPVTHDG-SIKLNZKXSA-N 425.485 2.793 0 40 IFAB O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 9844619 UXFWJFVCFKOTGO-UHFFFAOYSA-N 427.501 2.907 0 40 IFAB COC(=O)c1ccc([C@@H]2NC(=O)N(CCC(C)C)C(C)=C2C(=O)N2CCOCC2)cc1 10027036 UOXMQLDWHRQEFL-FQEVSTJZSA-N 429.517 2.718 0 40 IFAB COc1cccc(C(=O)N(CCN(C)C)c2nc3ccc(S(C)(=O)=O)cc3s2)c1 10337339 ZWDOSDUMPJUCJT-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccs4)o3)CC2)cc1 10337685 SLTDZPXQFUFAHN-UHFFFAOYSA-N 448.526 2.846 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697564 MHZWCMUPFOQXDH-UHFFFAOYSA-N 433.472 2.741 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)cc1 12406825 HIABLRDSDJBSOA-JOCHJYFZSA-N 440.521 2.637 0 40 IFAB COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 12520550 SUCNSQZWGMKELD-NFBKMPQASA-N 432.524 2.991 0 40 IFAB O=c1[nH]c2ccccc2n1C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 12686911 IIYDOLJMRMIKGZ-UHFFFAOYSA-N 441.557 2.741 0 40 IFAB C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O 12874982 HBDNFYDUHOMSDI-DNVCBOLYSA-N 437.265 2.795 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12929961 RQWXBGHHDXEWOU-KDOFPFPSSA-N 448.416 2.995 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2cc(C(=O)OC)ccc2=O)sc2c1CC[C@@H](C)C2 13113015 GUYWKNSZSPFSPK-GFCCVEGCSA-N 432.498 2.637 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)NCc1ccco1 13117794 PQKXWRZSROZBSG-UHFFFAOYSA-N 445.585 2.950 0 40 IFAB Cc1cc(C)cc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 13628651 PJFPPLBSGARMPL-UHFFFAOYSA-N 443.569 2.849 0 40 IFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13802087 WEKCKYBBWNERRO-OAHLLOKOSA-N 439.443 2.752 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 14119303 MBUXRJFDGNGOPH-UHFFFAOYSA-N 433.493 2.512 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)cc1 14201240 WCGKVLMOLPPTBE-UHFFFAOYSA-N 445.372 2.638 0 40 IFAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)c3cc[nH]n3)nc21 19695766 OZOMLWGWQFPLHV-IBGZPJMESA-N 446.511 2.973 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)Cc1cccc(OC)c1)CC2 19710850 QZZRBDXJHGLKDG-NRFANRHFSA-N 437.544 2.728 0 40 IFAB O=C(Nc1ccc(F)cc1)c1cccn(CC(=O)N2CCC[C@H](CN3CCCC3)C2)c1=O 19750298 IWXHIXXBBUTFLP-GOSISDBHSA-N 440.519 2.574 0 40 IFAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23325266 KBIUKKSKKJFTPH-UHFFFAOYSA-N 441.513 2.640 0 40 IFAB Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)Cc3n[nH]c(=O)c4ccccc34)c2C)cc1 23951536 QMNLEXNFZLNLSA-UHFFFAOYSA-N 445.479 2.758 0 40 IFAB CCOc1ccc(N2C(=O)/C(=C\N[C@]3(C)CCS(=O)(=O)C3)c3ccccc3C2=O)cc1 24075365 DQKQVQGCUQXPFL-QFXXMJIKSA-N 440.521 2.780 0 40 IFAB COc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)ccn1 24758840 GGKPYASSRJCTSB-UHFFFAOYSA-N 431.539 2.603 0 40 IFAB Cn1ncc2c(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C(F)(F)F)ncnc21 25000663 OOSLGBIVAOBLMH-CYBMUJFWSA-N 436.419 2.762 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c(C)c1 27643283 LPVUFXPUFCAFJC-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 28247969 PTXKHQKTLBAOKA-UHFFFAOYSA-N 428.513 2.518 0 40 IFAB COC(=O)c1cn(CC(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)c2ccccc12 31997778 XDAMUOAPBGWUAO-HSZRJFAPSA-N 435.524 2.926 0 40 IFAB C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 32860154 YVDWXQRHZMPDLV-KBPBESRZSA-N 430.455 2.988 0 40 IFAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccncc3)C2=O)cc1OC 33466904 HSJLWTUVANXLNE-QGOAFFKASA-N 427.482 2.955 0 40 IFAB O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 33612374 WZKRISLESUINMZ-UHFFFAOYSA-N 443.463 2.828 0 40 IFAB COc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1OC 44170495 RIFAYWUEYHQQQP-UHFFFAOYSA-N 448.414 2.813 0 40 IFAB CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O 44850161 RDRLVVYWBJUGLN-UHFFFAOYSA-N 442.541 2.662 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccc(F)cc2)Oc2ccc(Cl)cc21 44906567 BUEIEUKTEQSQIX-SFHVURJKSA-N 426.897 2.755 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1 67300170 HQLNOTQDDXIYRV-UHFFFAOYSA-N 435.480 2.569 0 40 IFAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4cnn(C)c4)nc32)c1 72371918 KZWKMAUGUJOQRP-FQEVSTJZSA-N 446.511 2.594 0 40 IFAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cn(C)c2ccccc12 77171700 MNAPXXTXTFOQJH-QFIPXVFZSA-N 447.539 2.663 0 40 IFAB CN(CCCC(=O)N(C[C@@H](O)c1ccccc1)C1CC1)S(=O)(=O)c1ccc(F)cc1 83859407 VSTVBAKGFQKNPV-OAQYLSRUSA-N 434.533 2.951 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NCc1cc(Cl)ccn1 95462084 NBSJRTNHEMRXPH-UHFFFAOYSA-N 443.978 2.697 0 40 IFAB C[C@@H](C(=O)NCCCN1CCc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 223537850 GTJUBONPIQNHPY-HNNXBMFYSA-N 437.512 2.688 0 40 IFAB Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1I 223564874 VUHWRNQFMBTZNQ-LSDHHAIUSA-N 442.326 2.596 0 40 IFAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCc3ccc(F)cc3F)c3ccccn23)C1 306141654 WCZAXEUDOCHSJK-OAHLLOKOSA-N 448.495 2.682 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 408596525 WMXGGXYDLKJSFK-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1cc(Cl)c(Cl)cc1Cl 408614726 GWFLVMLQRRSVQP-UHFFFAOYSA-N 439.752 2.816 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408657169 GMJNTWXQJBHCRQ-RZTYQLBFSA-N 446.459 2.802 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 409058904 ZJZXDWTWQVNAMR-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O 585662427 ZWGBFLJEPBJLOD-IRXDYDNUSA-N 436.505 2.629 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@H](O)c3ccc(-c4ccsc4)s3)cc21 618255590 FWSVXLPRUPYZGJ-AWEZNQCLSA-N 436.536 2.933 0 40 IFAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(NC(=O)c2ccccc2F)C1=S 1073437 SZJWXKFYJBGXHX-INIZCTEOSA-N 448.907 2.970 0 40 IFAB CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)N3CCCC3)c2=O)cc1 2466825 IJOVGIAKNVXROR-UHFFFAOYSA-N 427.526 2.852 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)sc(C)c1C 2658361 QUNXCQLHSJJXIF-NRFANRHFSA-N 429.498 2.947 0 40 IFAB O=C(COC(=O)c1cccnc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3397158 JTFNBGDJSSHHAT-UHFFFAOYSA-N 437.905 2.705 0 40 IFAB Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1 4791688 AWZRJIGVQDQPHM-UHFFFAOYSA-N 430.302 2.857 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 8246714 KHKJCICCCROCIE-KRWDZBQOSA-N 425.485 2.679 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 8745000 GOIBPXPTXXYHAD-SFHVURJKSA-N 427.530 2.737 0 40 IFAB O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8754549 WPUDZDMTPSTQHN-UHFFFAOYSA-N 432.889 2.537 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)c1ccc2c(c1)CCCC2 9000937 YBTLBDZBUNDJRU-UHFFFAOYSA-N 426.476 2.763 0 40 IFAB Nn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 9452058 HNBFGKSCBGAINQ-UHFFFAOYSA-N 432.922 2.890 0 40 IFAB COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 9491597 RMWKUVANUZHDGX-OALUTQOASA-N 446.569 2.773 0 40 IFAB CCOc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 9793462 JNGFCQZIHWSMBH-UHFFFAOYSA-N 441.528 2.776 0 40 IFAB Cn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nnc1C(F)(F)F 9951212 MTTYJEHOBIYQDR-UHFFFAOYSA-N 434.465 2.521 0 40 IFAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc4c(c2)OCO4)CSC3)cc1 10220912 HDSBXBGADMSNNH-UHFFFAOYSA-N 436.493 2.911 0 40 IFAB Cn1c(=O)n(CCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c2ccccc21 10405590 GGWNOQBQBVEDIG-UHFFFAOYSA-N 448.479 2.587 0 40 IFAB C[C@@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 10968378 BSBHWRDHKLZLDJ-LRYXAPPNSA-N 432.586 2.990 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccccc3Cl)CC2)c1 11796643 XSJSGKRKNTVDDY-UHFFFAOYSA-N 435.977 2.920 0 40 IFAB COc1cccc(F)c1-c1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)s1 11866063 ODUNMMPANVURCE-UHFFFAOYSA-N 449.529 2.886 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)CCn4ncc5ccccc5c4=O)C3)cc2n1 12134681 CBSXWMXMMQHCAF-KRWDZBQOSA-N 446.511 2.504 0 40 IFAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1OC 12749259 GNDWTXABHXYVHF-UHFFFAOYSA-N 444.553 2.729 0 40 IFAB COc1ccc(CNC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1OC 12860554 NXCGBOXQKIZPFU-UHFFFAOYSA-N 440.544 2.787 0 40 IFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1Br 14163057 UBBPIINIEUZIFN-INIZCTEOSA-N 437.315 2.993 0 40 IFAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccccc1Br 14235468 RNPPAEXVRRKKQO-FQEVSTJZSA-N 446.345 2.887 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)Nc3ccccc3Br)ccc12 14242784 XGFOVVQDEMTPSL-UHFFFAOYSA-N 445.269 2.998 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4Cl)[C@@H]3C2=O)cc1 18153332 NHNRVUDGOFAJBF-ROUUACIJSA-N 427.848 2.589 0 40 IFAB CNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 19599641 YCANNTGVSACYPY-UHFFFAOYSA-N 429.523 2.839 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 20732925 RQSVXQILTGGTCZ-QGZVFWFLSA-N 426.469 2.520 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 21607024 SPWWHNZEMPDBSD-ZDUSSCGKSA-N 447.285 2.993 0 40 IFAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(CN2CCOCC2)cc1 23958684 GEKYKIAPGIWJQU-UHFFFAOYSA-N 438.524 2.959 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n(N)c(=O)n1 27643478 LANSFZKNGLHRIW-UHFFFAOYSA-N 445.932 2.726 0 40 IFAB COc1cc(OC)cc(-c2nnc(SCC(=O)NC[C@H](C)c3ccccc3)n2N)c1 32721603 XBMWWRMIZXBXKG-AWEZNQCLSA-N 427.530 2.688 0 40 IFAB COc1ccc(CN(Cc2nc(-c3ccc(OC)cc3)no2)S(=O)(=O)N(C)C)cc1 33428902 UCXRQSPBKNHVDD-UHFFFAOYSA-N 432.502 2.562 0 40 IFAB CC1=CC=CN2C1=NC(=O)C[C@@]2(C)C(=O)N(CC(=O)NCCc1ccccc1)C1CCCC1 35312913 FBUUIMKFPHJIAB-SANMLTNESA-N 448.567 2.980 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 38756658 ZSGOIDVXOLVIFO-KRWDZBQOSA-N 442.541 2.742 0 40 IFAB O=C(NCCCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38771970 SSKJJRFWIBSNSK-QFIPXVFZSA-N 435.634 2.653 0 40 IFAB CSc1ncccc1C(=O)N1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1 43942735 YOXZWCYFLOTOFF-UHFFFAOYSA-N 444.601 2.779 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)c(F)c1 49543724 LEHCHQLNSKXFTA-UHFFFAOYSA-N 443.431 2.723 0 40 IFAB biogenic Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)nc2s1 49550299 HUAOFHYTDJXAOL-UHFFFAOYSA-N 426.527 2.805 0 40 IFAB O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)N1CCc2ccccc21 57504059 KJPZXOVNMWVOIK-UHFFFAOYSA-N 438.447 2.802 0 40 IFAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCC(NS(=O)(=O)c2cccs2)CC1 58416624 LYEIROZPNSPLCS-UHFFFAOYSA-N 437.543 2.884 0 40 IFAB C[C@H](OC(=O)c1ccccc1Oc1cccnc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 60297981 LROLDBBCUMCKAU-AWEZNQCLSA-N 441.465 2.705 0 40 IFAB Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccnc3)cc2)[C@H]1CO 72321213 FUUKGOAHXMNSPY-WIYYLYMNSA-N 438.509 2.560 0 40 IFAB biogenic,in-vitro O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1)c1ccc(F)cc1 72321236 ATLFCYNKOSLWMY-FYYLOGMGSA-N 435.455 2.934 0 40 IFAB biogenic,in-vitro Cn1cnc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c1 72371772 CZQGRSCLSRQLDA-CQSZACIVSA-N 435.937 2.596 0 40 IFAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)c(OC)c1 95445222 PTKBTZCFXBOOFX-MRXNPFEDSA-N 440.543 2.649 0 40 IFAB O=C(OCCc1ccccc1COC(=O)c1ccc2nncn2c1)c1ccc2nncn2c1 95456175 PREAVNPYVMIONL-UHFFFAOYSA-N 442.435 2.529 0 40 IFAB COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)nc2ccc(Br)cn2c1=O 96221116 QGAKXUOBRSGBMY-ZDUSSCGKSA-N 447.241 2.556 0 40 IFAB biogenic CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccc(OC)cc1 96521175 LKLWRJWCYCTCOY-WDEREUQCSA-N 449.104 2.647 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 113938687 PCCSMUUKJZPUOG-JOCHJYFZSA-N 438.505 2.968 0 40 IFAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220647847 MUMQJSHQBMJFLN-LJQANCHMSA-N 434.514 2.974 0 40 IFAB COc1ccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(C)cc3)nc2)cc1 223383494 NDGJTSNBEMHBMK-UHFFFAOYSA-N 426.498 2.867 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224324507 SOQBZDBJZVUETO-HNNXBMFYSA-N 435.521 2.754 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 260834484 MNPUEVPZOIVUPI-HOCLYGCPSA-N 436.555 2.797 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCCCn1ccnc1 408588691 DPWZUYVAAVFNOM-UHFFFAOYSA-N 448.932 2.923 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(OC)c1 408654541 KAVJKNLXMHCPSA-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@@H]2c2ccccc2)cc1 409061598 YCHOHOWMNGWGOF-WFZBXURCSA-O 430.484 2.720 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)CCO)cc1)c1c[nH]nc1-c1cc2ccccc2o1 508764794 QXOPJLVEKRIQNP-UHFFFAOYSA-N 425.466 2.519 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCn3cc(CC(=O)N4CCC(C)CC4)nc3[C@H]2C)cc1 585096987 DGYRLAXVNGDZII-GOSISDBHSA-N 430.574 2.758 0 40 IFAB COCC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1 585287439 WUSSFUBAQYSHHJ-JOCHJYFZSA-N 438.952 2.674 0 40 IFAB O=C(Nc1ccc(Cl)cc1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549161850 NZDMAQWZGBHSQP-KRWDZBQOSA-N 432.908 2.780 0 40 IFAB O=C1COc2ccccc2CC=CC[C@@]2(CCCN(CC(=O)Nc3nccs3)C2)CN1 2037819033 OKESTMAZCFIFSF-HSZRJFAPSA-N 440.569 2.861 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc(F)cc3)cc2c1 6196608 PAGNTXQLKBKDGB-UHFFFAOYSA-N 434.489 2.639 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1=O 8754755 UQIUBLSZUPKZOD-GBXCKJPGSA-N 437.496 2.833 0 40 IFAB COc1cc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1 9335318 DVYYGZOSLREYPL-UHFFFAOYSA-N 433.457 2.844 0 40 IFAB Cn1c(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc21 9338204 RSQRPYJMDBEYIC-UHFFFAOYSA-N 426.542 2.607 0 40 IFAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2cn3ccccc3n2)C1=O 9516843 IDXPIXDYQYAECO-XMMPIXPASA-N 427.464 2.571 0 40 IFAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9716558 OJYUJDZJPCVIKR-UHFFFAOYSA-N 442.541 2.649 0 40 IFAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 9764310 JYXREXTYYPOUDU-IFXJQAMLSA-N 425.462 2.534 0 40 IFAB O=S(=O)(c1cccc(-c2nnc(SCCO)n2-c2ccccc2)c1)N1CCCC1 10034984 TXNVPJDRKIDHFU-UHFFFAOYSA-N 430.555 2.803 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041421 KJCJMASMPPIFER-NSHDSACASA-N 441.303 2.541 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 10095352 YRVHJCNTOYCVOS-UHFFFAOYSA-N 430.530 2.629 0 40 IFAB CC(C)n1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccco3)nc21 12220583 INXZMTBNKYEKKT-UHFFFAOYSA-N 441.394 2.694 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1cccnc1)Cc1ccco1 12537390 UIKLOIJYASHRAN-UHFFFAOYSA-N 441.509 2.538 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12860801 FVVGDFGRLSGNAU-YWZLYKJASA-N 429.904 2.651 0 40 IFAB COc1ccc(CN(C)C(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)cc1OC 12885258 JNEQINPLTHVYTB-UHFFFAOYSA-N 442.541 2.582 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 13005529 QRSBZXURSRPHST-BBRMVZONSA-N 445.379 2.779 0 40 IFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 14200711 SAXHGHMQIIBYDU-OAQYLSRUSA-N 433.480 2.949 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 15541411 JADQTQPFNPRUFZ-OAQYLSRUSA-N 430.526 2.693 0 40 IFAB CCCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 15803073 URKJHMNMTRCFRD-INIZCTEOSA-N 430.526 2.505 0 40 IFAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(C)c1ccccc1 15940837 IUGURFJSCJHJMW-MRXNPFEDSA-N 426.494 2.713 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C1=O 16046648 UEYKCNYXIXQFMB-QFIPXVFZSA-N 435.509 2.925 0 40 IFAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 19020923 BGTHXKQJVAPCER-ICSRJNTNSA-N 428.558 2.709 0 40 IFAB CCN(CC)CC(=O)N(C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 19698651 QDXZSGDAZSFMDV-UHFFFAOYSA-N 427.524 2.704 0 40 IFAB CC(=O)N1CCC(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)CC1 19713118 FVPALKBFHOJGJX-YADHBBJMSA-N 429.536 2.956 0 40 IFAB Cc1nc([C@@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741251 ZIFVEUQOTSIYQN-OAQYLSRUSA-N 449.599 2.965 0 40 IFAB CCC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 21682475 UABGUEDKZSGJGU-UHFFFAOYSA-N 443.447 2.762 0 40 IFAB COc1ccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1 21884410 GKHYKEBHDWGCNE-UHFFFAOYSA-N 447.520 2.789 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccccc1OC 22253128 IYSLIKCEADXUET-CQSZACIVSA-N 436.530 2.989 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@H](c1ccccc1Cl)N1CCCC1 22619376 BOCNKJBTDFRUFA-GOSISDBHSA-N 429.904 2.752 0 40 IFAB COc1cccc([C@H](CNS(=O)(=O)c2cc(C)c(C)cc2OC)N2CCOCC2)c1 23108068 CGKZKXUJOKZPMG-FQEVSTJZSA-N 434.558 2.672 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23325262 SOVZSERFOONCGO-UHFFFAOYSA-N 427.549 2.608 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 24611880 OJTCTBUZKZOWRV-UHFFFAOYSA-N 430.570 2.904 0 40 IFAB biogenic O=C(OCc1cc2c(cc1Br)OCCO2)c1cccnc1N1CCOCC1 28448916 PYCWHTVLDYHAOG-UHFFFAOYSA-N 435.274 2.809 0 40 IFAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O 29527480 KRWXBUHVTJYSQR-XMMPIXPASA-N 446.463 2.965 0 40 IFAB CCOC(=O)c1ccc2c(c1)n(CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)c(=O)n2CC 32776741 OMFHHGJDIFXMGS-UHFFFAOYSA-N 427.457 2.614 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 35264450 IIOMSJLGIPRFJV-HXUWFJFHSA-N 436.556 2.595 0 40 IFAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 36386005 HORPRMLPRRCONZ-CVEARBPZSA-N 437.512 2.537 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1OC 38771117 SKSOZBKGJGKQHF-UHFFFAOYSA-N 444.912 2.921 0 40 IFAB O=S(=O)(c1ccccc1CNC(=S)Nc1ccccc1Cl)N1CCOCC1 40024714 MGTTVXQMGZYITD-UHFFFAOYSA-N 425.963 2.848 0 40 IFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@H](C)c1ccc(OCC(C)C)c(OC)c1 40087760 OTMKCTMQIBBWTQ-CYBMUJFWSA-N 425.507 2.669 0 40 IFAB COCc1nn2c(nnc3c(=O)n(NC(=O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40396209 CTWPYMOWERUUDA-UHFFFAOYSA-N 426.864 2.632 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157312 XEQGSKCIDKSXGV-VQTJNVASSA-N 428.554 2.747 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc(C)cc1C 44903876 AFRJPNGEFTVYSZ-QGZVFWFLSA-N 432.542 2.824 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)cc1OC 49008293 QIYKMJJOJDBVRP-UHFFFAOYSA-N 435.440 2.648 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)N1CCc2ccccc21 51357878 FBMSJMACYQHLMS-UHFFFAOYSA-N 429.451 2.940 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)CC2)c1C 58023807 HWJSHMMCWUYYQS-UHFFFAOYSA-N 432.565 2.689 0 40 IFAB CC(C)c1nnc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n12 64871749 BHVNILMBUPNFIW-UHFFFAOYSA-N 448.502 2.656 0 40 IFAB CCOc1ccc(CNC(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1 65154702 LGUFSJCJVIOUCJ-UHFFFAOYSA-N 438.576 2.842 0 40 IFAB CN(CCOc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 72284213 GEELSGYQTRKDBE-IBGZPJMESA-N 425.485 2.992 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C5CCNCC5)C4)nc32)cc1 72355735 ZVYYYUDXGOAGKX-IBGZPJMESA-N 435.572 2.814 0 40 IFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(OCCCC(=O)O)cc2)c1 95463964 HZYGYBRMUNMONM-UHFFFAOYSA-N 426.878 2.744 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 100262052 LRHOREJRTCMJCN-QTDDQOEGSA-N 447.443 2.619 0 40 IFAB CCn1c(SC2C(=O)CC(C)(C)CC2=O)nnc1-c1ccc(NS(C)(=O)=O)cc1 100315005 YVHZWVDHFHCREW-UHFFFAOYSA-N 436.559 2.755 0 40 IFAB CCOC(=O)COc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OC 106752163 SXPQSQQJXFDIPX-SXGWCWSVSA-N 437.470 2.625 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1F 211106518 FMGMKPFDSTYWCZ-INIZCTEOSA-N 431.482 2.600 0 40 IFAB Cc1cccc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220152974 LQEXWDOIKREUQX-INIZCTEOSA-N 428.514 2.858 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 220208484 ONZXVRKODOCKAM-ZDUSSCGKSA-N 438.502 2.514 0 40 IFAB COc1cccc(-c2noc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)n2)c1 222563418 YTHWJOULQYMXMM-UHFFFAOYSA-N 442.497 2.605 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)c3cccnc3)nn2c(O)c1CCC(=O)N1CCCC1 257294908 QWFKBZQWGWGUDU-FQEVSTJZSA-N 448.527 2.671 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408655975 DXGNUUWYZDVGGY-IGWOWPFTSA-N 439.295 2.896 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 408659201 MGQZJGMOWGKSJH-WOJBJXKFSA-N 434.448 2.946 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408753976 SETOXFNESZMWAF-DPWKNNTCSA-N 440.908 2.767 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c(C)c1 408965716 XIFLZCOWSKZZEZ-ZDLGFXPLSA-N 439.493 2.843 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575414932 RFIVEQUNGZJGKT-ROUUACIJSA-N 440.537 2.913 0 40 IFAB CC(C)[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NCc1cccc(Cl)c1 1083103408 VGPVRHJCRBGPSK-FQEVSTJZSA-N 429.952 2.908 0 40 IFAB C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C2CCCCC2)no1 1628848511 QULYDPXNCCTMFU-UCLAIMLFSA-N 444.507 2.638 0 40 IFAB Cc1cc(SC(=S)N(C)C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1 2217880 CEEAEGPEUAAPBE-UHFFFAOYSA-N 445.979 2.887 0 40 IFAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc21 2479098 YVHWKOFDWDLRCM-UHFFFAOYSA-N 441.434 2.960 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 2652282 CUVUBRNYTZMJSJ-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 3386021 HSJDMXQBYDTITQ-UHFFFAOYSA-N 425.510 2.801 0 40 IFAB CCCNC(=O)OCCN(CCOC(=O)NCCC)CCc1cccc(OC)c1OC 5760307 VQDLZWRXNUNXQP-UHFFFAOYSA-N 439.553 2.821 0 40 IFAB O=C(CNC(=O)c1ccccc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 8451481 BVJQZAIIDRADCO-XMMPIXPASA-N 430.460 2.700 0 40 IFAB CN(C(=O)CSc1nnnn1-c1ccccc1)c1ccccc1C(=O)NCc1ccco1 9155241 WNZMMWHMSVYQPQ-UHFFFAOYSA-N 448.508 2.940 0 40 IFAB CCOc1cc2c(cc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)O[C@H](C)C2 9220437 CFIYMDUXYCQLAF-LLVKDONJSA-N 437.418 2.993 0 40 IFAB Cc1ccc(NC(=O)CNc2cccc3c2CCCC3)cc1S(=O)(=O)N1CCOCC1 9220855 TXSAHIIGNZLLLX-UHFFFAOYSA-N 443.569 2.945 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)N3CC[C@H](C)Sc4ccccc43)C2=O)cc1 9258006 JVFYWISVQVZRPR-AWEZNQCLSA-N 439.493 2.908 0 40 IFAB Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9574126 QRGXPFJPMRLMSC-UHFFFAOYSA-N 431.471 2.777 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2ccccc21 9613004 MKSHVZQOMIQGIN-KNQAVFIVSA-N 444.553 2.955 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)cc1 9667915 OHIXADPKJGMCSZ-UHFFFAOYSA-N 433.505 2.857 0 40 IFAB COc1ccc2c(-c3cccnc3)cc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1 9731177 HTUFDDHZWIRCTN-OAHLLOKOSA-N 443.550 2.701 0 40 IFAB COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 9860652 WNHFMEKWPYEYQQ-RBUKOAKNSA-N 445.566 2.614 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1 10272356 MJMQCKNSVNTTFC-UHFFFAOYSA-N 445.497 2.950 0 40 IFAB COc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c2nccn2C)cc1 12520717 JSMWBORMYIOSOA-FQEVSTJZSA-N 442.541 2.507 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)c1C 12781947 MDDRYIGTCXQNCY-UHFFFAOYSA-N 441.509 2.743 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 12997301 MLARCXHJJFRQCC-UHFFFAOYSA-N 449.504 2.977 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 13000348 BVTIVNHLYMMZFX-ONNFQVAWSA-N 427.476 2.639 0 40 IFAB CCCCN(C(=O)CN[C@H](C)c1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13038396 CRRLBPZTBLNRQB-OAHLLOKOSA-N 449.983 2.912 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 13677995 HSJFRNVKYRKVBG-MRXNPFEDSA-N 446.525 2.911 0 40 IFAB NC(=O)COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1 14000886 KBARBYKSCYXHSJ-MRXNPFEDSA-N 441.285 2.973 0 40 IFAB CC(=O)Nc1ccc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 14070905 XXLNVSCMLOCUHN-UHFFFAOYSA-N 427.526 2.810 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 15615368 GVJXCRYXPKAAJP-KRWDZBQOSA-N 446.525 2.911 0 40 IFAB O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCCCC3)[nH]c2=O)C1 19337750 CCFSZQQTUXVPLS-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB COc1cccc(-c2nccnc2[C@@H]2CN(C(=O)c3cnc(N(C)C)nc3C)CCO2)c1 19693454 DCNJFVXVRWNUDG-IBGZPJMESA-N 434.500 2.530 0 40 IFAB C[C@H]1Cc2cc(C(=O)N3CCN(C)CC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 20448694 DKWZRMPQJVJBEV-HNNXBMFYSA-N 433.961 2.868 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 22227905 JUTBFOZQCKRESI-UHFFFAOYSA-N 440.587 2.637 0 40 IFAB COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OC 22522740 FMINYDPPMJHYSA-UHFFFAOYSA-N 432.542 2.950 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 22588435 FDDVCPCXYJOIMP-HXUWFJFHSA-N 433.530 2.985 0 40 IFAB NC(=O)c1cc([C@H](O)CNC[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1 22589457 MUDKZNGUXRBVIH-TZIWHRDSSA-N 434.492 2.828 0 40 IFAB Cc1cc(C)n(CCCNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)n1 23246469 IIJBWSZEXGXYEF-UHFFFAOYSA-N 437.525 2.881 0 40 IFAB Cc1cnc2c(S(=O)(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cccc2c1 29351505 CQGXHANYQQZUBA-UHFFFAOYSA-N 431.539 2.545 0 40 IFAB COc1ccc(CN2CC(=O)N(c3ccc(C)c(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 31773747 PKQHNPZYQOMASI-VQTJNVASSA-N 434.945 2.671 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)Nc1nc(C)c(C)s1)n2CC(C)C 32983755 OQTZWXHERPHATB-UHFFFAOYSA-N 446.577 2.987 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 57415060 RMWSOUBTYDKUBO-NRFANRHFSA-N 440.931 2.943 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 58377675 IMMWMISTYZLZMZ-LJQANCHMSA-N 430.549 2.692 0 40 IFAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 60155005 GGKYEAAOHXLHHJ-CYBMUJFWSA-N 429.439 2.903 0 40 IFAB O=C(Nc1nc(-c2ccc(Cl)cc2)no1)c1cccc(S(=O)(=O)N2CCOCC2)c1 72283517 HKYBGAVEMDODOZ-UHFFFAOYSA-N 448.888 2.663 0 40 IFAB COc1ccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2CC(=O)Nc2nonc2C)cc1 72337687 CLZFOJOJFWMSLO-HNAYVOBHSA-N 445.483 2.797 0 40 IFAB O=C(c1cnccn1)N1CCc2nc(C3CCN(CC4CCCCC4)CC3)[nH]c(=O)c2C1 72399013 XSPKEZSGWPEXIT-UHFFFAOYSA-N 436.560 2.518 0 40 IFAB COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)nn1 77197244 GDAZTEBUXMDOAE-JOCHJYFZSA-N 435.528 2.600 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 85420743 DIWBIBLNZXIFIW-VERUCKTNSA-N 434.279 2.893 0 40 IFAB CCCC[C@@H](C(=O)NCc1cccc(NC(=O)c2ccco2)c1)N1CCCS1(=O)=O 89950249 KWNFJBUESWJKNS-SFHVURJKSA-N 433.530 2.742 0 40 IFAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1cc(Br)c2c(c1)OCO2 95393903 GVSQFWZANPYESS-UHFFFAOYSA-N 447.289 2.792 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4ccco4)CC3)O2)cc1 96036680 CHUBVXRECMWZMV-NRFANRHFSA-N 436.512 2.691 0 40 IFAB O=C(C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21)N1CCOCC1 96052856 NFCLKFQVPCFSSF-FQEVSTJZSA-N 426.557 2.710 0 40 IFAB COc1cc(/C=C2/N=C(c3ccc(OC(F)F)cc3)OC2=O)cc(OC)c1OCC(N)=O 96920267 QOADYVDTJTYFSN-VGOFMYFVSA-N 448.378 2.514 0 40 IFAB Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@@H]1CC[C@@H](C2)N1S(=O)(=O)c1cccc(F)c1 100223022 RLMYOHIUOQRSMB-BXWFABGCSA-N 432.521 2.966 0 40 IFAB COCCN1C(=O)/C(=C(\C)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C(=O)NC1=S 105209936 BAUXZSWOPAZLPX-NBVRZTHBSA-N 441.557 2.745 0 40 IFAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(OC)c(OC)c1 218795294 HQPABVSTRCYRND-HRAATJIYSA-N 448.541 2.888 0 40 IFAB COC(=O)c1cn(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)c2ccccc12 222622235 OUQHKRPUCPCNPH-LJQANCHMSA-N 428.466 2.604 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223607001 JXHBQLMIQQLBGV-LJQANCHMSA-N 445.585 2.623 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)CN(c3cc(C)ccc3OC)S(C)(=O)=O)ccc21 225084120 YBJMVBQSUPAMAH-UHFFFAOYSA-N 449.554 2.805 0 40 IFAB CCCN1CCN(C(=O)CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257254462 KDDLDNQPNXZHBZ-HXUWFJFHSA-N 439.531 2.998 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 260793092 JOHQTJACBUJKQN-CQSZACIVSA-N 426.922 2.698 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3cc(C)nc(C)n3)C2)c(C)c1 575610270 VCCZJUOUKYSDIU-GOSISDBHSA-N 432.546 2.982 0 40 IFAB Cc1ccsc1S(=O)(=O)N1CCC[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224436 JEADMPBNEKYXMH-FQEVSTJZSA-N 425.620 2.546 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(C)s1 9119286 CBLPETXLSKNKDW-UHFFFAOYSA-N 442.588 2.761 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccccc4)o3)CC2)cc1 9126209 OTSSUCMYXXYXFI-UHFFFAOYSA-N 442.497 2.785 0 40 IFAB COc1ccc(OCCSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)cc1 9302483 UWKATWFZQBXHAP-UHFFFAOYSA-N 442.497 2.654 0 40 IFAB Cc1c(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)sc2ccccc12 9515779 HBDWCJGVEBNSSL-QFIPXVFZSA-N 446.492 2.835 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 9560775 JWEBDJLTVHRKKR-UHFFFAOYSA-N 440.525 2.584 0 40 IFAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 9627981 JFGZVUGPENBABM-UHFFFAOYSA-N 425.466 2.992 0 40 IFAB Cc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 9631994 XLBFMQPCYBMQIT-UHFFFAOYSA-N 430.526 2.926 0 40 IFAB CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc2ccccc2c1 9778782 ZSXVIOSEJULQSB-UHFFFAOYSA-N 437.521 2.991 0 40 IFAB CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 9789710 SOFATFIXFYLAID-HXUWFJFHSA-N 433.917 2.980 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 9866471 VPBKJZOIPUCKAE-ZAMGYDSWSA-N 435.436 2.806 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCCc1cccc(C)c1)c1ccc2c(c1)OCCO2 10110837 BXDKKJHIJRWGGE-UHFFFAOYSA-N 432.542 2.671 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccccc4Cl)[C@H]3C2=O)cc1C 10272693 GXOALLXTRNDFFN-RBUKOAKNSA-N 425.876 2.566 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 12393867 YZMMFNIZONRWGU-GASCZTMLSA-N 444.557 2.883 0 40 IFAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCc2sccc2[C@H]1c1ccccc1 12647784 QEASGQKVSYEUPW-HXUWFJFHSA-N 425.535 2.720 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1S(=O)(=O)N(C)C 12749876 VYHYLYCHWUYIFB-OAHLLOKOSA-N 435.477 2.539 0 40 IFAB COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c(C)nc2c1 12844959 NAWNQJWJPDVKJU-UHFFFAOYSA-N 443.500 2.838 0 40 IFAB COC(=O)c1ccc(OC[C@H](O)CSc2nnnn2-c2c(C)cccc2C)c(OC)c1 12849051 TVKGGSVKBCLFFX-INIZCTEOSA-N 444.513 2.606 0 40 IFAB O=C(c1cc(F)ccc1F)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 12914766 PPMGKALYMAIMNW-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB CCc1ccc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 13038342 SMYXQWFSCSUDFY-KRWDZBQOSA-N 433.549 2.572 0 40 IFAB CC[C@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 13039046 SOYNFASOKJSPHE-GJZGRUSLSA-N 437.514 2.550 0 40 IFAB CCCCn1c(=O)n(CC(=O)Nc2cccc(C)c2)c(=O)c2c1ncn2Cc1ccco1 13040220 YMPZISLHLTZTDO-UHFFFAOYSA-N 435.484 2.748 0 40 IFAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2)cc1 13059652 RLAPWXCAXBZJNS-LJQANCHMSA-N 436.556 2.805 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 13675727 DTCVQOVIFNBXSP-UHFFFAOYSA-N 446.525 2.753 0 40 IFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1CCN(c2cccc(Cl)c2)CC1 13693124 FJCNLSNVTRHFOV-UHFFFAOYSA-N 438.915 2.724 0 40 IFAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)cc1 13809119 UUGUEGMSKAQVJS-UHFFFAOYSA-N 436.487 2.797 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 14166748 HVEZLMIIDFMJFE-DEOSSOPVSA-N 432.480 2.536 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2=O)cc1 14253524 MEAIRLJZYRKNSF-KRWDZBQOSA-N 448.523 2.945 0 40 IFAB C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccc3c(c1)CCO3)CC2)c1ccccc1 14532672 NKUSLXJXJNSOEY-SFHVURJKSA-N 446.551 2.860 0 40 IFAB CCCCNC(=O)COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 15982016 HNTQMHVEJPZJMR-UHFFFAOYSA-N 445.497 2.614 0 40 IFAB O=C(c1ccccc1)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19761995 KRQWJFVRAQAYFF-HSZRJFAPSA-N 431.492 2.921 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)O)c3c[nH]c4ccccc34)CC2)cc1 20724404 FMZHVXIFAVMXGR-OAQYLSRUSA-N 443.525 2.699 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)c3c(C)nc4sc(C)cn4c3=O)C[C@H]2C)c1 20921792 ROELAXFVUUMDKB-CQSZACIVSA-N 432.571 2.581 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 22986950 HHTBQHBSSJGXLA-UHFFFAOYSA-N 443.301 2.565 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl 24985653 CZQYECRUIQPNIS-ZUZCIYMTSA-N 433.313 2.694 0 40 IFAB O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32761334 IJWMSYXUGFWSMN-WMZOPIPTSA-N 441.553 2.826 0 40 IFAB O=C(COC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)NCCc1nc2ccccc2s1 32912286 NLTAHTORZFRPGW-QGZVFWFLSA-N 427.457 2.831 0 40 IFAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 35684999 ZHTKMZSUKFALLV-INIZCTEOSA-N 443.460 2.817 0 40 IFAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(F)c1 36393311 AWQNXOYBQGUUBS-FQEVSTJZSA-N 428.489 2.754 0 40 IFAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cnn(-c2ccccc2)n1 38486339 ANCYTGGKNHFXCZ-UHFFFAOYSA-N 427.468 2.813 0 40 IFAB O=C(CN1CCc2ccccc21)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 40017882 APVUYBRYRUSHHV-UHFFFAOYSA-N 425.554 2.813 0 40 IFAB CCC(CC)C(=O)NCCn1ncc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 56965549 KWINIXGKKHPEMZ-UHFFFAOYSA-N 435.576 2.701 0 40 IFAB Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NCc5ccccc5)nc34)n2)c1 57494698 QWHBKNZMUIEPRE-UHFFFAOYSA-N 440.463 2.838 0 40 IFAB O=C(CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)OCc1ccccc1 58405802 NRBKWVDXPIPETA-QGZVFWFLSA-N 431.286 2.662 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 59332586 WKDQTQJGMAYBJM-NRFANRHFSA-N 429.586 2.798 0 40 IFAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cc(N2CCCS2(=O)=O)ccc1O 72307277 DDMHSZCZUNGDSP-DHZHZOJOSA-N 428.919 2.998 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2ccncc2)CCO1 72389170 QLWPJWDOJASKTJ-RUZDIDTESA-N 430.508 2.686 0 40 IFAB COc1cc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc(OC)c1OC 219223529 GNBIKZNKGPPGSF-UHFFFAOYSA-N 434.514 2.626 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223095225 KRSSQLIJLKDNHW-NRFANRHFSA-N 435.524 2.925 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223562395 APKKRJJPYLOIDB-LJQANCHMSA-N 445.585 2.623 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccccc2C(C)(C)C)cc1 224262989 YIYANVYAFRXQCO-UHFFFAOYSA-N 434.558 2.808 0 40 IFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)s1 225346693 WIYIAPNMGOYBTM-UHFFFAOYSA-N 434.996 2.998 0 40 IFAB CC(=O)N1[C@H]2CCCCCN(C(=O)c3ccc(=O)n(C)n3)[C@@]2(C)C[C@H]1Cc1ccccc1 257207906 BJWMWYHDJOETHE-KJWPAHLWSA-N 436.556 2.787 0 40 IFAB Cc1nc(C)n(CC(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)n1 257246006 ISAWLRLWARGXFX-UHFFFAOYSA-N 437.569 2.960 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CC[C@@]3(COCC[C@H]3NC(=O)Cc3ccccc3)C2)cc1 306125812 DCXQTGHTANGMGT-VWNXMTODSA-N 442.581 2.665 0 40 IFAB Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 540668745 BOEFFCXTKKTINP-QGZVFWFLSA-N 440.880 2.883 0 40 IFAB O=C(c1ccccc1Br)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148513 PWVBEXJAIGCDOU-UHFFFAOYSA-N 448.239 2.880 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccncc1 2621288 ZDXPRURLOWVFQS-UHFFFAOYSA-N 426.502 2.676 0 40 IFAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)NC1CC1 2644311 XSAJHFKOHFBWBQ-UHFFFAOYSA-N 428.828 2.585 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3246674 ONCKYQIADQTIHV-KSSFIOAISA-N 441.505 2.916 0 40 IFAB CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nnc1-c1ccncc1 3501799 OXAVKKLOQPNVJW-UHFFFAOYSA-N 427.530 2.828 0 40 IFAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 3551270 KCYCUGMMSJUNAP-UHFFFAOYSA-N 425.514 2.704 0 40 IFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 4057931 LCGZFQTWAUXXMJ-HXUWFJFHSA-N 445.560 2.791 0 40 IFAB NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O 8619420 OWMAHPYOXWJGCD-UHFFFAOYSA-N 430.486 2.569 0 40 IFAB COCCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8788769 YKWPKKFJCDNUIB-CYFREDJKSA-N 440.544 2.771 0 40 IFAB biogenic O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccc2c(c1)OCO2 9127094 YFALWRWUMYMVLI-UHFFFAOYSA-N 435.527 2.716 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)cc1 9314375 BAURSEKHGUXDRR-UHFFFAOYSA-N 438.553 2.777 0 40 IFAB CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc23)cc1 9379010 QZBJZKPNZBTNRE-PXNSSMCTSA-N 425.554 2.917 0 40 IFAB C[C@@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9519150 HSGFLPVTDXWZAJ-OAHLLOKOSA-N 425.508 2.873 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncnc2ccccc12 9631860 SAGVMAPLXOTFMS-UHFFFAOYSA-N 432.527 2.620 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 9743256 LWIGYQMBQSQXMY-SFHVURJKSA-N 433.505 2.514 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(F)ccc3F)n2)cc1 9844769 HSALIYBLXJMIKM-UHFFFAOYSA-N 435.452 2.566 0 40 IFAB C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCCC1 11412162 QSBFSYWUEZZGHQ-HNNXBMFYSA-N 440.537 2.995 0 40 IFAB CC[C@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 11722563 VXCKQVHAJUTZBZ-DLBZAZTESA-N 427.588 2.753 0 40 IFAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 12796032 YICQHEXMTRZNPP-UHFFFAOYSA-N 436.541 2.508 0 40 IFAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1OC 13130872 YISSKYWXQTWBOL-GFCCVEGCSA-N 428.367 2.698 0 40 IFAB CCc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1 13501946 KABTVFOHKKJJOF-SFHVURJKSA-N 444.557 2.753 0 40 IFAB CCc1nc(SCC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c2c3c(sc2n1)C[C@@H](C)CC3 13510584 RIRARBQQLDZFDF-VIFPVBQESA-N 445.570 2.794 0 40 IFAB CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715388 ATOIJFNLPFOREN-GOSISDBHSA-N 438.521 2.746 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)N[C@@]12C(=O)Nc1c(C)cccc12 16027329 BQDLWEHAVJYOKK-IUTNBOSVSA-N 429.904 2.802 0 40 IFAB biogenic C[C@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 16109638 UZMFLEVNDUCXRA-SCUMNGBJSA-N 447.601 2.925 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 17307924 JOPVIUZPSWQTOE-UHFFFAOYSA-N 448.454 2.783 0 40 IFAB CC(C)c1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)OCC2 19454221 UGEILQQPCGJRDJ-QFIPXVFZSA-N 445.541 2.624 0 40 IFAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19463429 DBZUUQWHTJEADB-WRWLIDTKSA-N 426.561 2.945 0 40 IFAB Cc1ccc2c(c1)cc(C(=O)N1CC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C1)n2C 19757675 GGRTZRISWMKRKN-SFHVURJKSA-N 447.539 2.687 0 40 IFAB CCOC(=O)c1cc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)ccc1Cl 20105632 HFZVEGCONMFTMS-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl 20462605 JLXYVSWYUATGRN-UHFFFAOYSA-N 439.921 2.768 0 40 IFAB C[C@@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 20490326 SQFYZVYZYUULQQ-HNNXBMFYSA-N 432.933 2.997 0 40 IFAB CCOC(=O)c1cn(CC(=O)Nc2cc(OC)ccc2OC)c2nc(C)ccc2c1=O 20986407 YJDBJKFCQQARER-UHFFFAOYSA-N 425.441 2.538 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccc(OC(C)C)c(OC)c2)S(C)(=O)=O)cc1 22332479 JAEYNZHIUOPLTP-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22537110 DNGFPFUEXVOFJU-GOSISDBHSA-N 434.558 2.793 0 40 IFAB CCN(Cc1coc(-c2ccc(F)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 24820261 YSOJAEVYURMLKF-UHFFFAOYSA-N 435.459 2.988 0 40 IFAB COc1ccc(/C(NCCc2cnc[nH]2)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 25180463 KZYZSPJECUYFKL-QZQOTICOSA-N 445.479 2.553 0 40 IFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCCn1c(=O)oc2ccccc21 25187479 UBRWWGPRMDLLSG-UHFFFAOYSA-N 439.468 2.637 0 40 IFAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NCCc1nnc2ccccn12 26303753 PDDALSQKQHEKAL-UHFFFAOYSA-N 433.541 2.698 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cc2c(cc1Br)OCCO2 29273442 RVQFUXZFANAQRB-UHFFFAOYSA-N 436.214 2.745 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30946585 WXXHLNVTCSEQQW-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 31192578 LZYHPIOSEGRGPJ-QGZVFWFLSA-N 429.517 2.724 0 40 IFAB COc1cccc(N2CCN(C(=O)CNC(=O)c3cccc(Br)c3)CC2)c1 31359726 ZODCXUZBJXIAQV-UHFFFAOYSA-N 432.318 2.536 0 40 IFAB COc1cn(-c2ccccc2)nc1C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 32830203 SEAYPDDQEIUPIL-UHFFFAOYSA-N 435.419 2.888 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 40120051 YRQOHYOZADKXLU-HOTGVXAUSA-N 426.435 2.856 0 40 IFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O 44839915 AQODEMMESNKBTA-MRXNPFEDSA-N 439.512 2.510 0 40 IFAB CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@H](c2ccccc2)C1 48301020 UVBCXRNKICULBX-IBGZPJMESA-N 441.329 2.674 0 40 IFAB Cc1cc(C)nc(Nc2nc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)n1 56924676 UQDODHKVIUJILR-UHFFFAOYSA-N 437.485 2.540 0 40 IFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cccc(Br)c2)c(=O)c1=O 67256674 UZLKQVOFFWGDFI-UHFFFAOYSA-N 444.285 2.799 0 40 IFAB CS(=O)(=O)c1ccc(NCCc2nc3ccccc3n2C(F)F)c(S(C)(=O)=O)c1 72313939 GCRSLRJUOWCPIX-UHFFFAOYSA-N 443.497 2.893 0 40 IFAB O=C1N[C@@]2(COC3(CCN(C(=O)CCn4ncc5ccccc54)CC3)C2)Nc2ccccc21 72325246 GTUIWMQTFNTZSU-VWLOTQADSA-N 445.523 2.760 0 40 IFAB C[C@@H](C(=O)N1CC[C@H](c2ccccc2)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326720 MIFNXXLMGPXENM-GCOVDLRRSA-N 447.535 2.922 0 40 IFAB Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(N4CCCC4=O)cc3)CC2)cc1 95348546 YBALNJWGUVRBOI-UHFFFAOYSA-N 435.524 2.922 0 40 IFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCc2nc(C3CCN(C4CCOCC4)CC3)nc(O)c2C1 100235183 BQVRWDZNERSIJN-RTBURBONSA-N 440.588 2.862 0 40 IFAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccc(Br)cc21 110045008 XLTNKIDOSAMUHD-BBRMVZONSA-N 439.262 2.553 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1nnc(SC(C)C)s1)O2 223464507 CKWBDZIKSCTQQH-ZDUSSCGKSA-N 428.561 2.513 0 40 IFAB CCOc1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 223618226 OPRCVSGNZMEPPE-UHFFFAOYSA-N 448.541 2.686 0 40 IFAB CCN1CCN(C(=O)Cc2nnc(N)s2)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 257253210 JXYIVAHYFSTLRA-MRXNPFEDSA-N 441.582 2.693 0 40 IFAB CNC(=O)c1cnn([C@H]2CCCN(Cc3ccccc3OCCN3CCCC3)CC2)c1 257262744 LMQWWZWLILPCOF-QFIPXVFZSA-N 425.577 2.945 0 40 IFAB O=C(NCCCn1ccnc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 408591121 IWQFDQNEAMTMSQ-FQEVSTJZSA-N 446.960 2.633 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 408660704 VBXJPLLSNFWUJK-HNNXBMFYSA-N 443.887 2.578 0 40 IFAB Cc1ncc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)c(C)n1 585269183 WSLOIZQVCGFQSG-KSSFIOAISA-N 447.333 2.641 0 40 IFAB CC(C)CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1692306541 LIIVUJVRGKFXIQ-UHFFFAOYSA-N 444.605 2.955 0 40 IFAB COc1cccc(CN[C@@H]2C[C@H](C(=O)N3CCCC3)[C@@H](O)[C@H]2c2cnc(C(C)C)[nH]2)c1 2332241824 OCQJIILWJCHIDM-YVNJGZBMSA-N 426.561 2.787 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccc(F)c(F)c1 2147072 MGDJTRLJKJFOTF-WIEQDCTASA-N 444.482 2.919 0 40 IFAB biogenic COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2OC)C1=O 2153971 FBGWZWQCXNNUPZ-WMZHIEFXSA-N 449.507 2.516 0 40 IFAB biogenic CC1CCN(CCCNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1 4791647 MXHSRDALTIENSG-UHFFFAOYSA-N 448.567 2.784 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc2c(c1)OC(F)(F)O2 9257501 SYDCIYVRHJHHRE-FQEVSTJZSA-N 429.379 2.730 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCC1 9633843 IVOHHIZPYAZLQM-MRXNPFEDSA-N 449.573 2.599 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2Cl)cc1 9806269 IWKGFNBLLAJZIW-HNNXBMFYSA-N 435.933 2.556 0 40 IFAB NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 9871381 ZEYIRNRHOOTGMP-KRWDZBQOSA-N 427.526 2.811 0 40 IFAB Cc1cc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)ccc1Br 10833761 JLAQBCQFPKAHQZ-OAHLLOKOSA-N 441.347 2.978 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OC(F)F)cc2)C1 11515825 IXGQICMOCGHYNY-HNNXBMFYSA-N 443.472 2.610 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccccc3F)CC1)NC2=O 12086540 XLEMGYUUEKODHW-UPCLLVRISA-N 438.503 2.703 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1 12521945 AREBZRVBCYRCKI-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12595800 DUXHYAAFBQPVOJ-JOCHJYFZSA-N 437.521 2.622 0 40 IFAB CS(=O)(=O)Nc1cc(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)ccc1F 12820931 MSNDYYUCBOAEAL-UHFFFAOYSA-N 432.433 2.611 0 40 IFAB COC(=O)C1=C(CSc2nc(C)cc(N)n2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 12822513 HFJYQXZPTCTGMK-GOSISDBHSA-N 425.514 2.815 0 40 IFAB O=C1c2ccccc2C(=O)N1OCC(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 12961330 SMZNEMOZGZRKGT-OYHNWAKOSA-N 430.416 2.891 0 40 IFAB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 13573901 CRJBJBPTAGDYSC-RMFUMNGISA-N 430.457 2.760 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 13677469 JBQSIDUWAMUXHB-LLVKDONJSA-N 426.878 2.871 0 40 IFAB COc1cc([C@H]2c3cc4c(c(OC)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 14638385 BFKORKXLSJUYSS-HQOQDVMHSA-N 428.437 2.927 0 40 IFAB CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 14740134 WVLRCLDCSBAQFS-UHFFFAOYSA-N 430.552 2.829 0 40 IFAB COc1cc([C@H]2O[C@@H](C)Cn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 15106195 PQMKEIHMJPKBMK-LFVRLGFBSA-N 447.491 2.928 0 40 IFAB O=c1[nH]nc(SCc2cc(=O)n3cc(Br)ccc3n2)n1Cc1ccccc1 16097306 KLEIBWGVVIWDCE-UHFFFAOYSA-N 444.314 2.682 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCCC[C@H]2c2ccnc3cc(C)nn23)cc1 19130584 OSWODLFZJOIUMM-IBGZPJMESA-N 441.557 2.632 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN3C(=O)c3ccnn3C)nc21 19744285 UWDLTYCFUPHJSX-GOSISDBHSA-N 446.511 2.594 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccccc1C(F)(F)F 21010328 JVUGFZLNGCRUIM-GFCCVEGCSA-N 437.465 2.679 0 40 IFAB Cc1ccc2nc(NS(=O)(=O)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)sc2c1 21010596 QNYQNXUQHUFZDM-ZDUSSCGKSA-N 440.572 2.578 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229978 YZAZFEVNQSQCLT-GOSISDBHSA-N 432.498 2.582 0 40 IFAB O=C(c1cc(Br)ccc1F)N1CCN(Cc2nnc3n2CCCCC3)CC1 22508973 MBNZGTXCHQFAAQ-UHFFFAOYSA-N 436.329 2.864 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 24663194 QWYFJYIGPLBGQS-CYBMUJFWSA-N 435.406 2.601 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3c2C(F)(F)F)NC(=O)N[C@@H]1C 25986726 DFYLGLKXZAIAMB-SNVBAGLBSA-N 437.374 2.929 0 40 IFAB Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc(Cc2ccccc2)c1=O 27546345 WGGUCXYRYIYGOM-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc(OC)c1OC 30481732 ULNSOKXSCLITQW-SNAWJCMRSA-N 430.423 2.643 0 40 IFAB Cn1c(COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc(=O)n(C)c1=O 32865247 HSLARHBHRCSECY-UHFFFAOYSA-N 427.526 2.930 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)s1 33231562 HIEVSYMEIYXXMT-MRXNPFEDSA-N 436.555 2.588 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@@H]1C 36395448 CPQOUQXNDVHRHR-SSOJOUAXSA-N 443.551 2.940 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 40161252 FHJMPBOOGWTJPU-RTBURBONSA-N 447.576 2.658 0 40 IFAB CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccccc5C)no4)cnc32)cc1 44166614 UZTVHVSCYQLKJU-UHFFFAOYSA-N 429.440 2.783 0 40 IFAB Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)nc(N2CCN(c3ccccc3)CC2)n1 48985718 UWFDFGIEHNKFJG-UHFFFAOYSA-N 447.495 2.858 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCc1ccccc1CN(C)C 58439316 QSVQTGSRKSGLSZ-UHFFFAOYSA-N 432.590 2.575 0 40 IFAB Cc1nccn1-c1cc(N2CCC(C(=O)Nc3cc4ccccc4oc3=O)CC2)ncn1 70637914 ZPTAMQGGRXBKDQ-UHFFFAOYSA-N 430.468 2.932 0 40 IFAB COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccoc4)CC3)O2)cc1 96036686 DEGXSQAABRRDTH-OAQYLSRUSA-N 436.512 2.691 0 40 IFAB CC(C)CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2S(C)(=O)=O 96144923 CQLMKZNYASKHGZ-UHFFFAOYSA-N 430.574 2.689 0 40 IFAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O 96221534 ZEMISFJJJPGUNZ-IBGZPJMESA-N 439.537 2.996 0 40 IFAB biogenic CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101125881 IBNDXLOODJGBRG-IEBWSBKVSA-N 441.871 2.954 0 40 IFAB O=C(O)C1=C(C(=O)Nc2ccc(NC(=O)C3=C(C(=O)O)[C@H]4C=C[C@H]3C4)cc2)[C@@H]2C=C[C@H]1C2 102921089 WBDDDMQUUKAGOQ-CRWXNKLISA-N 432.432 2.738 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 103513626 LETHFPKVHTZPFC-YSTOQKLRSA-N 435.867 2.946 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1C 220179538 KILGCJPZQSNZPK-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccc1F 225129241 VVYJVQOUOVEPFT-UHFFFAOYSA-N 435.506 2.596 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@@H]2CCCO2)c1 225940440 LILLDJYYIREDJP-NRFANRHFSA-N 430.570 2.832 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2cc(CC(C)C)no2)(c2ccccc2)CC[C@@H]1O 257301010 RWNKBAQVZHIOSN-HFMPRLQTSA-N 427.545 2.981 0 40 IFAB O=C(c1ccccc1)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306144962 ZTKLPNUKCIXEHN-XMMPIXPASA-N 449.532 2.950 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccncc2)C1 408700295 CTBYDAWKYGDDKF-IBGZPJMESA-N 431.558 2.931 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C2(Cc3cccc(F)c3)CCCCC2)C1 579755217 JIKMKACGSVXMIB-LJQANCHMSA-N 425.570 2.706 0 40 IFAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)N(C)C[C@@H](O)CO)ccc21 643576186 SEXXPPGBLQRCBL-HSZRJFAPSA-N 447.620 2.887 0 40 IFAB O=C(N[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc2nccnc12)c1cc(F)cc2nccnc12 647620537 QEYNGKVUCCNKQC-IAGOWNOFSA-N 448.433 2.932 0 40 IFAB C[C@](O)(C(=O)NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(Br)c1 1636128214 RJJBDZIDWSUDIE-BFUOFWGJSA-N 428.273 2.902 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@]3(CCCN(Cc4ccnn4C)C3)C2)c1 2056223490 OESRDFIITCNTOG-JOCHJYFZSA-N 448.589 2.504 0 40 IFAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1 2720211 VBNWMPCWATVSQY-UHFFFAOYSA-N 430.486 2.679 0 40 IFAB C[C@H](CNC(=O)c1ccc2nc(N)sc2c1)NC(=O)c1ccc2nc(N)sc2c1 2797309 QWKGBJRXUYKNHA-SECBINFHSA-N 426.527 2.619 0 40 IFAB C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4155990 XSNLHIWRTQZZSU-OBWXAGNPSA-N 434.286 2.595 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 6184500 FOZQTSNSJISQOU-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1 8878588 CEOORNUSJFXOLH-QKKBWIMNSA-N 428.485 2.931 0 40 IFAB biogenic Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2-n2cnnn2)c1C 9222639 FEQJASVUERCDBK-GOSISDBHSA-N 434.500 2.539 0 40 IFAB CCn1c(=S)sc2c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(C)nc21 9409678 NAQRMMPLAJDOCV-UHFFFAOYSA-N 448.570 2.693 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1c(F)cccc1F 9569823 BNKYENITPPVWSQ-UHFFFAOYSA-N 443.903 2.500 0 40 IFAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9605418 XCRSCEFHNNUALQ-AWEZNQCLSA-N 440.525 2.736 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc(OC)ccc2OC)NC(=O)N[C@H]1c1ccccc1 9618757 BZNVMOQAOOUIKU-FQEVSTJZSA-N 440.452 2.732 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)C(C)C)cc1 10454597 WEVKJWUCKBEFBM-QFIPXVFZSA-N 443.569 2.741 0 40 IFAB Cc1nc(S[C@H](C)C(=O)N(C)c2ccccc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525578 MGBILXCZAPRQQT-CQSZACIVSA-N 441.557 2.598 0 40 IFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 11427477 KCZSYVAXHVWOSI-KKUMJFAQSA-N 434.566 2.728 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 11780749 IALICAPZUDOYHG-MRXNPFEDSA-N 429.546 2.604 0 40 IFAB CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 12162988 FCRIDGYCOYMMEJ-WXVUKLJWSA-N 428.577 2.573 0 40 IFAB COc1ccc(CC(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 12188616 WULWTBGQIREXJH-UHFFFAOYSA-N 441.553 2.680 0 40 IFAB O=C(OCc1ccccc1)C1=NN[C@@]2(CC(=O)N(c3ccc(Br)cc3)C2=O)C1 12376510 SLRQMCICRXEZAA-HXUWFJFHSA-N 442.269 2.544 0 40 IFAB COc1ccc(Oc2coc3c4c(ccc3c2=O)OCN([C@H]2CCS(=O)(=O)C2)C4)cc1 12442559 XSEHWSJBBLOSLQ-AWEZNQCLSA-N 443.477 2.933 0 40 IFAB biogenic CCOc1ccc(NCC(=O)NC(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCC1 12523366 DRAOPIAASZUXEY-UHFFFAOYSA-N 446.529 2.630 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 12556455 DGEVMSMFVUMSCK-GOSISDBHSA-N 426.536 2.996 0 40 IFAB NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)CC1 12743049 AQGUZYGOQGPBOJ-UHFFFAOYSA-N 435.328 2.642 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)c1 12942719 NBAASMAHDVNFBZ-FOIQADDNSA-N 449.301 2.665 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)CC1 13721425 VDYGRMGCNMFUHR-UHFFFAOYSA-N 446.554 2.639 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)NCc1cccs1 14093680 UTQFHKQIGSCHIC-UHFFFAOYSA-N 448.397 2.678 0 40 IFAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 14109982 MMSMOIIGHAFRQF-UHFFFAOYSA-N 428.558 2.673 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 14169999 BHHQSFPHEMWYFN-UHFFFAOYSA-N 439.921 2.896 0 40 IFAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3C1=O 15894284 IKGLSQKPYQOTPN-ICLZECGLSA-N 443.503 2.822 0 40 IFAB biogenic Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 15935451 UICVYJNIYHFFAO-HKBQPEDESA-N 443.569 2.774 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1ccc(F)cc1F)NCc1ccccc1 17179196 XMBHIMMOKLPOKX-UHFFFAOYSA-N 446.479 2.701 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3c(C)[nH]c4cc(C)ccc34)CC2)cc1 19219625 SIJVYBGPTRNJKN-JOCHJYFZSA-N 443.569 2.833 0 40 IFAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O)NCCCn1ccnc1 19369825 CPYCGLINFSSVTB-UHFFFAOYSA-N 446.536 2.966 0 40 IFAB COc1cccc(-c2noc([C@H]3CN(S(=O)(=O)c4ccc(F)c(F)c4)CCO3)n2)c1 19566801 AOBFKZLXPLFEPF-QGZVFWFLSA-N 437.424 2.786 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 19573706 MRTZPMMWAMSAFQ-GOSISDBHSA-N 432.590 2.933 0 40 IFAB COc1nc(C)c(CC(=O)NCc2cnc(C)nc2-c2cn(C)c3ccccc23)c(OC)n1 19579495 KCBDLRGPZUSFHD-UHFFFAOYSA-N 446.511 2.918 0 40 IFAB Cc1nc(C)c(C(=O)N(C)Cc2nc([C@@H]3CC(=O)N(C(C)C)C3)cc(N(C)C)n2)s1 19697414 KADLEGCNMUSXCM-OAHLLOKOSA-N 430.578 2.612 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)Cc2cccc(OC)c2)nc2c1CCN(C(C)=O)C2 19708475 QWWBWFKTETXDBL-OAQYLSRUSA-N 437.544 2.728 0 40 IFAB COc1ccc(OC)c(Nc2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)c1 23136641 PTWSXCHPHPOGND-UHFFFAOYSA-N 440.529 2.585 0 40 IFAB Cc1ccc(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)n1C 23574957 SOUCIYFZYNBPAT-UHFFFAOYSA-N 433.555 2.915 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccsc2)CC1 23845608 JIDKQQYHDZWKCN-QGZVFWFLSA-N 439.628 2.555 0 40 IFAB CN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 25054822 XKEMCDMAZHRYOJ-UHFFFAOYSA-N 442.440 2.709 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)NCCC1=CCCCC1 28721672 IHBJXWRCUIODOG-DEOSSOPVSA-N 435.572 2.969 0 40 IFAB C[C@H](NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)c1nnc2n1CCCCC2 29255562 LCEAKJATVCRSED-AWEZNQCLSA-N 440.573 2.922 0 40 IFAB Cc1cc(I)cnc1NC(=S)NC(=O)COc1ccccc1 32125065 IWCCZOPGYKPOPJ-UHFFFAOYSA-N 427.267 2.887 0 40 IFAB C[C@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 32911179 MHBIIAJVTZQTCG-NSHDSACASA-N 435.358 2.691 0 40 IFAB CCCOc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1C 35594978 DNOVKPVTPFEEGT-NRFANRHFSA-N 432.542 2.662 0 40 IFAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 35684997 ZHTKMZSUKFALLV-MRXNPFEDSA-N 443.460 2.817 0 40 IFAB CN(CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ncccn1 40087939 SJAVAUUVWLSDSC-OAHLLOKOSA-N 441.538 2.957 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)cc1OC 57426661 UMYOPGALXXZXAE-UHFFFAOYSA-N 431.514 2.927 0 40 IFAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccc(F)cc3)c21)N1CCc2ccccc21 72347781 MZFSRZGCYWPPHK-UHFFFAOYSA-N 430.443 2.603 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ncccc3C(=O)N3CCOCC3)C2)cc1 72370947 LVXVOJLKDFOGMB-HXUWFJFHSA-N 437.540 2.901 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)c3ccc(OC)c(OC)c3)CC1)CNC2=O 72393325 RCNNEKMTPMDDOI-UHFFFAOYSA-N 426.469 2.510 0 40 IFAB Cc1c(C)c2ccc(OCC(=O)N3CCN(CCc4ccncc4)CC3)c(C)c2oc1=O 79479475 FBISYYWMGNTGAS-UHFFFAOYSA-N 435.524 2.879 0 40 IFAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)c2cccs2)CC3)C1=O 96036445 LCOFATRCSUBKJP-JOCHJYFZSA-N 425.558 2.519 0 40 IFAB Cc1cccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(F)cc3)C4)CC2)c1 97943513 DMNPLPBMETVMSA-OAQYLSRUSA-N 449.486 2.595 0 40 IFAB O=C(Nc1ccc2nccnc2c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420999 IBHJRNCYMYGFMY-XJMQMAFPSA-N 438.487 2.987 0 40 IFAB CCOc1ccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 113964006 MEPXGYWXSYIUPL-UHFFFAOYSA-N 445.585 2.876 0 40 IFAB CCc1ccccc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224598662 AEBGDMKWIMCESH-UHFFFAOYSA-N 429.586 2.927 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCO[C@@H](c2cc(-c3cncnc3)cc(C)n2)C1 257315465 VBMNPJIHATYOFN-OAQYLSRUSA-N 440.525 2.926 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 408656255 NAJXNSQLBHVQHJ-INIZCTEOSA-N 443.887 2.632 0 40 IFAB CCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(I)c2)C1=O 409063995 FOMAAULVFBVUEP-IZZDOVSWSA-N 433.223 2.811 0 40 IFAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1ncn(-c2cccc(F)c2)n1 585112770 VGSRAFMRXRAPNY-HXUWFJFHSA-N 432.459 2.695 0 40 IFAB O=S(=O)(Cc1ccco1)[C@@H]1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 585268449 UMSFJJLNIHFVKK-MRXNPFEDSA-N 437.461 2.818 0 40 IFAB O=C(CCCn1cncn1)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643560506 ULMNHMDPVZXAFG-XMMPIXPASA-N 439.560 2.589 0 40 IFAB CN(Cc1cnc2n1CCOC21CCN(C(=O)Cc2noc3ccccc23)CC1)CC1CC1 1565556611 XBZMJPHDCWRIIL-UHFFFAOYSA-N 449.555 2.957 0 40 IFAB COc1ccc(CC(=O)N2C[C@@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)cc1OC 1888869515 LGBTWVSTDFWEGT-GASCZTMLSA-N 436.434 2.650 0 40 IFAB O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 883852 IXJAYTLOWFLKPX-UHFFFAOYSA-N 433.511 2.580 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 3361219 ASTGSQSGBCDZNQ-UHFFFAOYSA-N 430.526 2.853 0 40 IFAB NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 4030350 AEFAEYKBOOODTA-UHFFFAOYSA-N 431.930 2.923 0 40 IFAB CCOC(=O)O[C@H]1[C@@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1OC(=O)OCC 5201874 DPMUGDANRAMDDH-WJQMWINMSA-N 426.418 2.555 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccncc1 6905439 MANFZNLQZOQNBC-UHFFFAOYSA-N 429.502 2.735 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)o1 8897351 LDGFJXSQHPRLEZ-INIZCTEOSA-N 446.460 2.676 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 9288596 DIQHRDBPYKIZHU-MRXNPFEDSA-N 445.541 2.717 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ccn3n2)cc1 9321200 UNGRWVCBUNZYMT-UHFFFAOYSA-N 432.436 2.929 0 40 IFAB O=S(=O)(NCCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 9404639 BGCCPUNISCXXHV-UHFFFAOYSA-N 432.514 2.782 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)OCO2 9467176 RRRQYCPYGICZNH-QGZVFWFLSA-N 434.445 2.549 0 40 IFAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 9507357 ABTIULGPMDGCDO-UHFFFAOYSA-N 428.466 2.711 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2CCCc3ccccc32)c1 9562282 MBWMOYKUXAROCD-UHFFFAOYSA-N 446.525 2.559 0 40 IFAB COc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4F)n3n2)cc1 9568980 PNPQSLKUSVLSQS-UHFFFAOYSA-N 439.472 2.903 0 40 IFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9608473 IOFDZVILGJXFRB-RUZDIDTESA-N 449.507 2.664 0 40 IFAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 9633066 CVKGUIWYAVRIHD-RMKNXTFCSA-N 446.525 2.685 0 40 IFAB CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)nn1 9650575 CVWVLAITTIYYHG-UHFFFAOYSA-N 425.438 2.626 0 40 IFAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@@H]1c1cccs1 9665359 GJOLZHRPGPDNFT-IEBWSBKVSA-N 433.599 2.807 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 9712213 FKOHYXBVTGXIFO-UHFFFAOYSA-N 433.555 2.914 0 40 IFAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc2nc(N3CCOCC3)sc2c1 9783041 AUBARWQGORWZAW-UHFFFAOYSA-N 443.554 2.897 0 40 IFAB CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)c1 10255366 MOGAYAFRSYMTLL-QGZVFWFLSA-N 427.526 2.844 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 10739040 VPWDCENAOSPRQN-UHFFFAOYSA-N 434.518 2.653 0 40 IFAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)n1 10776988 ZICZEWPTLOGPRO-LBPRGKRZSA-N 429.545 2.563 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)c1 12661736 LJFFVCJOZDSDQX-BTYIYWSLSA-N 426.425 2.511 0 40 IFAB biogenic C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)C1=O 12855171 REFBUMJSODLRAT-XMMPIXPASA-N 434.496 2.718 0 40 IFAB COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1OC 12946440 SAKMJRLYVPELEG-FRQCXROJSA-N 442.365 2.947 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(Br)cc2)CC1 13010730 VETWOHIQHOOKNP-UHFFFAOYSA-N 442.335 2.591 0 40 IFAB O=C(NCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 13127870 VBGUXTVILJAYNN-WBVHZDCISA-N 441.429 2.745 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 13633361 BUNSSJWZTHJJHA-UHFFFAOYSA-N 449.548 2.584 0 40 IFAB Cc1cccc2sc(NC(=O)CSc3nnc(CNC(=O)c4ccco4)n3C)nc12 13956446 NNYJMCOJBBMGHI-UHFFFAOYSA-N 442.526 2.987 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14162023 RBZHCTREQNYTEI-RUZDIDTESA-N 446.507 2.708 0 40 IFAB COc1ccc(OCCCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 14230343 YDCLIRZSPVTYQO-QFIPXVFZSA-N 445.947 2.878 0 40 IFAB COC(=O)c1cc(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1Cl 14413669 VVDFHMBMULSRGO-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O[C@H](C)C(=O)O 16606790 ZSWLHFCJYIPSAS-BLVKFPJESA-N 443.431 2.953 0 40 IFAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 17098755 DZGATPRPDWKBRD-UHFFFAOYSA-N 434.326 2.776 0 40 IFAB CC[C@@H](c1nnnn1C(C)(C)C)N(CCOC)Cc1cc2cccc(C)c2n2nnnc12 19500566 AHDHQXSJHRIAHY-SFHVURJKSA-N 437.552 2.927 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c(C)n1 19702292 MQFTYLHGGXZSQZ-CQSZACIVSA-N 447.586 2.701 0 40 IFAB Cc1nc([C@H]2CCCCN2CC(=O)N2CCCC2)nc2c1CCC(=O)N2Cc1ccccn1 19740473 AXORPJZBFROJML-OAQYLSRUSA-N 448.571 2.809 0 40 IFAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19741365 MIACVMXXUXPJSN-SFHVURJKSA-N 444.557 2.760 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2F)CC1 22019314 KMLKOFODPFYLQP-LJQANCHMSA-N 426.536 2.807 0 40 IFAB Cc1ccc(CN(c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(C)(=O)=O)cc1 22231554 VVZISJMSTMCJJS-OAQYLSRUSA-N 432.542 2.635 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)Cc1ccc(Cl)cc1 29004994 UBPUMKCTOFCVHR-UHFFFAOYSA-N 438.933 2.642 0 40 IFAB O=C(Cn1c(S)nnc1-c1cccs1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 29817004 UHETWVMLKUUZDV-UHFFFAOYSA-N 447.973 2.933 0 40 IFAB Cc1cc(NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)ccc1-n1cnnn1 40151139 CPKDZTUNYPFUEI-UHFFFAOYSA-N 437.479 2.670 0 40 IFAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 44847209 PAELHEOOTGCEQT-BEFAXECRSA-N 430.526 2.806 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1S(=O)(=O)N1CCCCC1 58016485 BHYGXDVVMXTGQG-PKNBQFBNSA-N 428.510 2.920 0 40 IFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cccc(Br)c1 58119963 KFKWWFHGDJKWOX-UHFFFAOYSA-N 438.274 2.606 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1OCC(=O)O 63476285 WZRASAFONQRCQA-UHFFFAOYSA-N 447.250 2.864 0 40 IFAB Cc1cc(CNC(=O)c2nnn(-c3cccc4c3CCN(Cc3cccnc3)C4)c2C)on1 69982061 AEMAMWPCMMJHSQ-UHFFFAOYSA-N 443.511 2.755 0 40 IFAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)SC[C@@H]2N1 72004022 FWWCHTFGZADARC-ZHGZNUGGSA-N 428.602 2.570 0 40 IFAB biogenic O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CCn2cc(Br)ccc2=O)C1 72281727 SWBMEFFXMOFIPH-HNNXBMFYSA-N 432.318 2.878 0 40 IFAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 89954544 SILDRNKRNVYBDM-XZOQPEGZSA-N 444.553 2.665 0 40 IFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(OC)n(C)nc2c1 206799264 UWIJVAFDRWHBEB-KDOFPFPSSA-N 427.432 2.556 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 220271319 RNFBOPDDOVAYAX-KRWDZBQOSA-N 433.549 2.891 0 40 IFAB COC(=O)c1cn(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c2ccccc12 222621911 VPRSGOFRUOKBFK-GOSISDBHSA-N 448.884 2.949 0 40 IFAB CCN(Cc1ccc(C(=O)NCCCn2ccnc2)cc1)S(=O)(=O)c1ccccc1 224450941 KPMHSLSXKQCIAL-UHFFFAOYSA-N 426.542 2.914 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(Cc3ccccn3)CC2)Oc2ccccc21 253616710 ODFKUDMPIVWDHG-GYZFDLLFSA-N 446.551 2.681 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C2)cc1 257246268 ITJJBMGQVPNNJR-QGZVFWFLSA-N 439.541 2.542 0 40 IFAB CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)n1 257329425 XJYOPLYYTNAWSM-XMMPIXPASA-N 439.560 2.681 0 40 IFAB COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4csc(C)n4)CC2)CN(C)C3)cc1 306126471 DWUAQXCNVCPNMB-UHFFFAOYSA-N 438.557 2.796 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408651963 BWOQYLXCBPZCFZ-PWDCEVBCSA-N 439.295 2.895 0 40 IFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653751 FRFUZSDKUWBFMR-KMNYTQEUSA-N 430.888 2.653 0 40 IFAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)NC1CCCCC1 408679960 XDDLVTYAXOVHMP-UHFFFAOYSA-N 431.514 2.657 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 409014262 HYVLXLKMBBQCPD-UHFFFAOYSA-N 437.540 2.905 0 40 IFAB CC(C)(C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccc(Cl)cc1 601696529 LCMWAMOHPQJOGA-UHFFFAOYSA-N 436.965 2.733 0 40 IFAB O=C(CN1CC[C@H]2[C@@H]1CCCC(=O)N2Cc1ccccc1)NCCc1nc2ccccc2[nH]1 1848354253 YXFRRUXTLNHYAB-GOTSBHOMSA-N 445.567 2.877 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](N(C)c2ncccc2C(F)(F)F)C1 1889191567 RCXQFDKDPQJVIJ-AWEZNQCLSA-N 431.484 2.740 0 40 IFAB CCc1cccc2c(C(=O)COC(=O)[C@H]3Cc4ccccc4CN3S(C)(=O)=O)c[nH]c12 3441701 AOPBIJLYHJAQFW-HXUWFJFHSA-N 440.521 2.843 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3621703 HKFIONILYGNVHH-MRXNPFEDSA-N 428.510 2.606 0 40 IFAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 8917280 JYXREXTYYPOUDU-LIRRHRJNSA-N 425.462 2.534 0 40 IFAB O=C(CSc1nc2nccnc2c(=O)n1C[C@H]1CCCO1)Nc1ccc(Cl)cc1F 9405239 LSVSBQPSAVDJLX-GFCCVEGCSA-N 449.895 2.889 0 40 IFAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@H]1CCCc2ccccc21 9665231 UNIMAFUPUCVDDN-QFIPXVFZSA-N 445.560 2.716 0 40 IFAB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 9702570 UHPXMAKOHYEXFC-UHFFFAOYSA-N 445.781 2.674 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 9708718 IRYATVAQTRIVLS-FQEVSTJZSA-N 433.464 2.925 0 40 IFAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCCc2ccco2)cc1 9725129 WHTGNBRQASCIHN-SFHVURJKSA-N 440.525 2.675 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1cccc(F)c1 9761661 LIJUNYNOZAQNDM-UHFFFAOYSA-N 432.429 2.624 0 40 IFAB Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)CC3)sc2c1 10252848 UQYJRWGSUCGITH-UHFFFAOYSA-N 429.567 2.900 0 40 IFAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Br)cc1 10913495 WUIFXYSXSGZYKL-NSHDSACASA-N 430.258 2.799 0 40 IFAB Cc1c(-n2nnnc2SCCOc2ccccc2F)c(=O)n(-c2ccccc2)n1C 11620083 LBMVYWJWGXWARO-UHFFFAOYSA-N 426.477 2.770 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1)O2 12329405 OQDZMNLCTAWMSX-YCRPNKLZSA-N 433.464 2.589 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCCc1c[nH]c2ccccc12 12542404 ZQSPFTRUCNCPPB-UHFFFAOYSA-N 444.582 2.798 0 40 IFAB C[C@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 12999429 UBQFYEIVTHABHD-INIZCTEOSA-N 441.601 2.993 0 40 IFAB O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)N1CCc2ccccc21 13117642 UOAGUWJPIKZUOT-UHFFFAOYSA-N 449.942 2.597 0 40 IFAB CC(=O)Nc1ccc(-c2nnn(Cc3nnnn3-c3ccc(Cl)cc3)n2)cc1Cl 13563140 GZIZGMHZWPMCNH-UHFFFAOYSA-N 430.259 2.629 0 40 IFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCN(CC(=O)N2CCCCCC2)CC1 14185110 CNTJYMBEDYLFTG-AATRIKPKSA-N 433.936 2.629 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4c3cnn4C)cc2)cc1 14212009 PPPQJKVDINOHDZ-UHFFFAOYSA-N 425.470 2.989 0 40 IFAB O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ncccn2)CC1)c1ccccc1 15209206 FASLUPKYOOLHDZ-UHFFFAOYSA-N 447.524 2.547 0 40 IFAB O=C(CN1C(=O)N/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)cc1 16429976 GJGJEPKQUMUBEZ-UNOMPAQXSA-N 448.410 2.846 0 40 IFAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1nnn(CC(C)C)n1 17095310 AHKACEMNMZGKMA-UHFFFAOYSA-N 427.328 2.535 0 40 IFAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2cn(C)nc2C)CCNC1=O 19583550 APPIVTRZBNBKEI-IBGZPJMESA-N 432.524 2.835 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)nc2c1CCC(=O)N2CCC(C)C 19741726 XFTWTYZVLQRYQD-LJQANCHMSA-N 437.544 2.786 0 40 IFAB CCN(CC)C(=O)c1cnc([C@H]2CCN(S(=O)(=O)c3cn(C(C)C)nc3C)C2)nc1C 19757379 RUHKSEOCEIVJTQ-KRWDZBQOSA-N 448.593 2.531 0 40 IFAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1C 19826524 DAGSMQZRBPSXIQ-QFIPXVFZSA-N 430.512 2.601 0 40 IFAB COCCn1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(c2ccccc2F)CC1 20098591 PYQDTXOYALHMQM-HSZRJFAPSA-N 447.518 2.918 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N3CCN(CCc4ccncc4)CC3)c(=O)oc2c1 20592226 MSAQKQGYJVFHAF-UHFFFAOYSA-N 435.524 2.825 0 40 IFAB O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 21871129 IGOBTTPJTCLIIV-UHFFFAOYSA-N 435.933 2.883 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(NC(C)=O)c2)c1 22230228 OSUXALSOMLAVFY-IBGZPJMESA-N 431.514 2.754 0 40 IFAB Cc1sc2nc(CN3CCCC3)nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2c1C 22343571 WDNIGASGIQNPFM-KRWDZBQOSA-N 429.590 2.732 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 22484519 FTGYHDPXKZBXPD-VXKWHMMOSA-N 448.567 2.930 0 40 IFAB O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1cc(Cl)ccc1-n1cncn1 22791660 KYHYUGRJGJYOBV-UHFFFAOYSA-N 428.899 2.816 0 40 IFAB Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)s1 23327860 UWSUSAVMDDVRJA-QFIPXVFZSA-N 426.494 2.874 0 40 IFAB Cc1cnc2c(S(=O)(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)cccc2c1 24752363 UEPIIDOWDQCVLS-UHFFFAOYSA-N 445.566 2.675 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)n(N)c2=O)cc1 27546266 YQKGRLZJPUPLMO-UHFFFAOYSA-N 439.541 2.689 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 28808644 KCPCVZWFHRQWOE-INIZCTEOSA-N 426.469 2.801 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccccc1 32843439 DOPGNSDRLDKRBY-SFHVURJKSA-N 427.302 2.818 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1 34880619 AVNAXSLRBYOHLG-SQWSFHKJSA-N 449.488 2.815 0 40 IFAB CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(O)c3)o2)cc1 35291694 WMSQFZFRUMHYKK-UHFFFAOYSA-N 434.499 2.935 0 40 IFAB CCOC(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1C 36644168 MICFEASHVPPOOM-UHFFFAOYSA-N 438.509 2.852 0 40 IFAB C[C@]12CCC(=O)N1[C@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 40134440 UPCCZQSAXWKURL-KSSFIOAISA-N 428.480 2.639 0 40 IFAB Cc1ccc(C)n1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40146536 VYXCFTAMAAZPMG-UHFFFAOYSA-N 429.464 2.657 0 40 IFAB COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 56998174 OAICUUDHJRMJRG-ROUUACIJSA-N 426.966 2.886 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c2=O)c1 57486003 JKGNKWNHUVAWIY-IYBDPMFKSA-N 441.553 2.786 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc2nsnc12 58133306 LOWJYABTNXZVPL-UHFFFAOYSA-N 432.527 2.883 0 40 IFAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cc(OC)ccc4OC)c3)c2)n1 71768521 AWPOVNIMAMJCGV-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc3c2OCCC3=O)cc1 95468416 OMMQXWAACARLPQ-UHFFFAOYSA-N 432.498 2.700 0 40 IFAB COc1cc(CN2CC=C(c3ccccc3F)C2)ccc1OCC(=O)N1CCOCC1 95940819 YBEZPYHLGYEOGZ-UHFFFAOYSA-N 426.488 2.971 0 40 IFAB Cc1ccc(CS(=O)(=O)N2C[C@@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)cc1 96078719 UFGKWMCSBSSGBL-FQEVSTJZSA-N 448.610 2.931 0 40 IFAB O=C(CN1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1)Nc1cccc(F)c1 96875454 ZZCGRJSTLFZCLV-UHFFFAOYSA-N 449.465 2.854 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCN4C(=O)Cc4ccccc4)nn3c(O)c2C1 100234904 MGXDJERFOHBYIA-NRFANRHFSA-N 445.523 2.636 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1Cl 100890835 JCWLZOLUOVHOFN-IAGOWNOFSA-N 448.266 2.934 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]21)Nc1ccc(Br)cc1 103085924 KTDATXQAWAQYOY-HOTGVXAUSA-N 446.236 2.520 0 40 IFAB CCOC(=O)C(=CNCCN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O)C(=O)OCC 105725287 AIZMUXBHNMHFIZ-SFQUDFHCSA-N 432.498 2.631 0 40 IFAB CC1(C)C[C@@H](NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 219970656 SIMHSSCSJJHFNW-HXUWFJFHSA-N 444.553 2.881 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 220293002 LLPKJOPQOWKLEZ-GOSISDBHSA-N 444.601 2.794 0 40 IFAB COc1cccc(CCCNC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220343237 VARUIEHZXQQDTR-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225181418 TVDOXHXHICQDLL-UHFFFAOYSA-N 449.554 2.912 0 40 IFAB CN(c1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1)S(C)(=O)=O 225607445 BMTSARUEMRKRFF-UHFFFAOYSA-N 433.530 2.628 0 40 IFAB CC1(C)C=C(CC(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)CC(C)(C)N1 257247170 IXUDELDLZGSESE-FQEVSTJZSA-N 436.560 2.888 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1nnc(SC(C)C)s1)O2 260741003 CKWBDZIKSCTQQH-CYBMUJFWSA-N 428.561 2.513 0 40 IFAB Cn1nccc1[C@@H]1CN(C(=O)c2ccncc2)C[C@]12CCCN(Cc1ccccc1)C2=O 306144040 YUFAHKLNAJRYFR-SQJMNOBHSA-N 429.524 2.864 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 408652197 FSQBMRUIKKRFFF-INIZCTEOSA-N 426.469 2.855 0 40 IFAB Cn1c(CCC(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)nc2cc(Cl)ccc21 2037880113 AFJZESBTXJVSOD-JOCHJYFZSA-N 445.926 2.841 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@H]1c1ccccc1Cl 2218010 KADHZCPRMDDKGI-GUYCJALGSA-N 430.888 2.857 0 40 IFAB Cc1cc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2c2ccccc12 3214706 CLGWQRAUCWDBSG-UHFFFAOYSA-N 427.511 2.569 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1F 3430682 OYPOLQFLFOGBAS-UHFFFAOYSA-N 432.429 2.693 0 40 IFAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)NC(=O)Nc1ccc2c(c1)OCCO2 3431827 SVAFDUBWKOOZCT-UHFFFAOYSA-N 429.433 2.822 0 40 IFAB CCCCN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C 5148230 MSCNIMRISKEHDN-UHFFFAOYSA-N 426.496 2.860 0 40 IFAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O 5252049 KWTBUSJEYABNEJ-AWEZNQCLSA-N 427.505 2.502 0 40 IFAB O=C(CN1CCc2sccc2[C@@H]1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8747950 XGLQNXSWLWHGFO-QFIPXVFZSA-N 445.610 2.590 0 40 IFAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C)n1C[C@@H]1CCCO1 9127090 YSWXSSUGLRPKNJ-INIZCTEOSA-N 437.587 2.904 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1-c1nccs1 9244861 ZKSOCFMWTGRLQT-QFIPXVFZSA-N 436.493 2.963 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C1 9428044 IAUJOTIAZTYUJO-AWEZNQCLSA-N 427.486 2.805 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc(=O)c3ccccc3o2)NC(=O)N[C@H]1c1ccccc1 9492194 JXTUAJKZXVZAHI-NRFANRHFSA-N 448.431 2.821 0 40 IFAB O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)NCc1ccc2c(c1)OCO2 9601651 UQDPBVLXOCXDQT-UHFFFAOYSA-N 427.476 2.690 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(OC)cc(OC)c3)c2C(N)=O)C1 9638875 DQZYUHPIUJGTMD-UHFFFAOYSA-N 433.486 2.631 0 40 IFAB COc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)NC1CC1 9793619 AQUXOHJVLFDXIE-UHFFFAOYSA-N 429.903 2.891 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccccc1F 9883472 RHDZGTKZRRUEGU-SNVBAGLBSA-N 449.287 2.981 0 40 IFAB CCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1OC)c1cccc2ccccc12 10455364 IPTPXRXTTXSVDF-UHFFFAOYSA-N 442.493 2.706 0 40 IFAB CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1 10931222 CDUHLBCVQWRZFE-UHFFFAOYSA-N 433.549 2.569 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1C 10985003 ANGWGGOOHZXCAG-CQSZACIVSA-N 441.509 2.648 0 40 IFAB Cc1ccc(CNC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)cc1 12086523 FVGDPJFKKQMKKR-IQGLISFBSA-N 434.540 2.872 0 40 IFAB C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)c1nc(N)nc(N(C)C)n1 12900630 RBEGLPGEZVPVCV-ZDUSSCGKSA-N 429.554 2.596 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 12902207 ZYYUSXBJXUSCHA-GOSISDBHSA-N 433.549 2.535 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 12981845 NOCXVZZBCYXJCC-UHFFFAOYSA-N 444.285 2.694 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715514 GYVYVKUWMJKBAT-HXUWFJFHSA-N 437.512 2.858 0 40 IFAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 14019123 SVTHOBBHQNHIDH-XMMPIXPASA-N 446.551 2.927 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccccc3F)C(C)C)CC2)c1 16280328 MGHFGSARSNGSBM-NRFANRHFSA-N 433.549 2.786 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)c2sccn12 19240740 UXARUIVXWKRQLN-INIZCTEOSA-N 432.571 2.690 0 40 IFAB CCc1nn(C)c(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c1C 19521003 QJSDNKKVUWDSPB-UHFFFAOYSA-N 434.548 2.624 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 19709843 POAGBZWDEKHOBR-IBGZPJMESA-N 449.552 2.576 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN(C(=O)c3cccc(OC)c3OC)C2)n1 19709885 SQFDKFOKGWYTPC-MRXNPFEDSA-N 441.532 2.534 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 20016640 MRCWICQDGCSBLA-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc(C)c1 20801466 RTQZSXIMYZPWRP-LEWJYISDSA-N 438.503 2.663 0 40 IFAB CC(=O)N1CCC(C(=O)OCC(=O)N2CCc3sccc3C2)(c2ccccc2)CC1 22315207 LCMDOBVKRDHWCC-UHFFFAOYSA-N 426.538 2.756 0 40 IFAB COCCCNC(=O)CN1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22783029 BAUIOYMDEQPERS-RUZDIDTESA-N 448.567 2.862 0 40 IFAB COc1ccccc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22928976 LRFBUIWOKZSDOB-XUZZJYLKSA-N 448.571 2.768 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(SC)c2)N2CCOCC2)cc1 23107419 GTVUWKXQMMQRIO-HXUWFJFHSA-N 429.542 2.545 0 40 IFAB CCc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 24722234 ORUYOGOUVICJFN-SFHVURJKSA-N 436.464 2.820 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 29361945 FNUGVEZSHOTWMO-AWEZNQCLSA-N 426.330 2.747 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 31210128 XRKWAZPKDMBWPQ-CQSZACIVSA-N 426.330 2.747 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 40042817 KSGQPDBPVHNBTJ-OAHLLOKOSA-N 436.472 2.694 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1c(C)nc2ccccc21 40115034 OIDSOZPXLNTWPD-UHFFFAOYSA-N 426.542 2.965 0 40 IFAB CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC1 44913721 OKXLRZJQQUSFNK-UHFFFAOYSA-N 427.420 2.959 0 40 IFAB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)N[C@@H]1CCCN(c2ncccn2)C1 48275965 SZRFQVQWUBTPBC-GOSISDBHSA-N 432.528 2.793 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)CNC(=O)c3c[nH]c4ccccc34)sc2c1 49027826 XPRKQVDNQMOWFT-UHFFFAOYSA-N 428.495 2.550 0 40 IFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 67198529 ZRKDGNLGMOEVRH-UHFFFAOYSA-N 448.523 2.585 0 40 IFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(F)F 95986667 JZGGWJFSRABUHE-UHFFFAOYSA-N 429.422 2.935 0 40 IFAB O=C(CCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 100454473 SAUNOUXVFTZGRT-HOTGVXAUSA-N 430.892 2.962 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c2ccccc2O1 103367232 KMSMQGDXTUHNOG-WIYYLYMNSA-N 425.485 2.846 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@H]4C2=O)no1 106015578 YPEQOEBOCSTMRV-JNNRSPCRSA-N 435.358 2.807 0 40 IFAB Cc1c(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(=O)oc2cc(O)c(Cl)cc12 208179362 RAXNGZMLLUDZAC-UONOGXRCSA-N 440.883 2.811 0 40 IFAB CCOc1ccc(N([C@H](CC)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 220666723 ZDSKPWMHEYAUOD-JOCHJYFZSA-N 445.585 2.979 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 223872327 AOYSMZKQFQJOGV-UHFFFAOYSA-N 446.525 2.523 0 40 IFAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224236498 LSUHXVUFLFDXBC-AWEZNQCLSA-N 426.922 2.553 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224992992 DEQPJSWZYNNXJM-OAHLLOKOSA-N 437.949 2.970 0 40 IFAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 225564615 OATHEJOHDMQQMO-SFHVURJKSA-N 432.542 2.522 0 40 IFAB Cc1ncnc(C)c1C(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 252510678 ZOAZAXVTZXRIRY-UHFFFAOYSA-N 448.493 2.934 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c(O)c1CCC(=O)NC(C)(C)C 257252982 JXBPGPNLSMFKQE-OAHLLOKOSA-N 429.565 2.953 0 40 IFAB COc1ccccc1C1=NO[C@](C)(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)C1 257273507 NGWCYGCWKNLMAC-CJAUYULYSA-N 448.523 2.944 0 40 IFAB COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3csc(C)n3)CC2)C1 306143321 XYWPGRIKEPAWPN-UHFFFAOYSA-N 442.501 2.517 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 408713583 ITQVFFPVCUAOCN-CYBMUJFWSA-N 436.461 2.602 0 40 IFAB O=C(N[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1)c1ccc2ccccc2c1 532031670 VRNYWKALAZPCIC-LJQANCHMSA-N 427.460 2.758 0 40 IFAB COc1ccc(C(=O)[C@@H](NCCC(=O)Nc2nccs2)c2oc(C)cc(=O)c2O)cc1 1547138572 CRSGJHFAFXVBEG-QGZVFWFLSA-N 443.481 2.661 0 40 IFAB biogenic CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3CN3CCCC3)CCN2C(C)=O)c1 1848352799 GVWDESUZQDHROA-XMMPIXPASA-N 448.567 2.688 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(-c2ccc(OC(F)(F)F)cc2)nn1 1889061997 KMTVZZUCFJPOBY-CQSZACIVSA-N 427.408 2.522 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)n1 2037912751 YDNFVXMTKVNUDE-QFIPXVFZSA-N 433.936 2.645 0 40 IFAB CC1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)CC1 803379 YOMKCEIDFJTYGL-UHFFFAOYSA-N 430.526 2.912 0 40 IFAB CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)N1 8764235 MUKRCJBRCWHPMC-OYHNWAKOSA-N 446.507 2.794 0 40 IFAB biogenic CC[C@H](C)N(C(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 8825315 GAYBZBXVLLQXRJ-MATWNZDUSA-N 436.555 2.667 0 40 IFAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)C12CC3CC(CC(C3)C1)C2 8943278 AEFAWDHCTCOCAT-UHFFFAOYSA-N 444.605 2.939 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 9262706 ZIBCYJBJYIGYGD-UHFFFAOYSA-N 436.497 2.534 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 9263756 QRIOQCYKMNASDV-LSDHHAIUSA-N 431.562 2.792 0 40 IFAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)[nH]c1=O 9660399 UWSDWUQEQHCMTB-QGZVFWFLSA-N 448.527 2.743 0 40 IFAB CSc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 9948864 GIGUTJWLUNGVCX-JOCHJYFZSA-N 441.509 2.976 0 40 IFAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(-c5ccccc5O)c(C)cn34)n(C)c2=O)c1 10233444 DORVVMBAFRMCGG-UHFFFAOYSA-N 429.480 2.818 0 40 IFAB O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1Br 10608905 ZEYARGFFMVJXQR-UHFFFAOYSA-N 433.180 2.812 0 40 IFAB Cn1ncc2c(SCC(=O)Nc3cc4c(cc3Br)OCCO4)ncnc21 11685729 OBUKMUPNILMQDX-UHFFFAOYSA-N 436.291 2.628 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)Cc3nc4nc(C)cc(C)n4n3)CC1)O2 12154185 PAYOZJLWGMMANR-NRFANRHFSA-N 449.511 2.565 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C1)N2 12181665 UCRLGMUCLKRFLE-LTIDMASMSA-N 441.498 2.975 0 40 IFAB COc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1S(=O)(=O)N(C)C 12688990 PDBUOLXABLPXHG-UHFFFAOYSA-N 440.905 2.551 0 40 IFAB O=C(c1cccc2cn[nH]c12)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 12795174 SMTXYRRSBWCHAY-UHFFFAOYSA-N 438.431 2.728 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 13133050 IDOKZVLWQAAHJT-KXBFYZLASA-N 434.514 2.610 0 40 IFAB COc1ccc(-c2noc(CNC(=O)CCSc3nc(Cl)nc4nc[nH]c34)n2)cc1 13548784 XSWCKSLNYIEWQB-UHFFFAOYSA-N 445.892 2.864 0 40 IFAB Cc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 13649755 XSSCJFCNBKLDDE-QGZVFWFLSA-N 432.542 2.670 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 13675570 HLJURGPCICDTDE-UHFFFAOYSA-N 434.558 2.917 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1C(=O)NCCCOC)N(c1ccccc1)S(C)(=O)=O 13685899 CSWJUZVLHOSPFC-HXUWFJFHSA-N 447.557 2.636 0 40 IFAB COc1cc(-c2nc(CC(=O)N[C@H](CO)CCSC)cs2)cc(OC)c1OC 13723984 DJQBIAKEXODWDD-ZDUSSCGKSA-N 426.560 2.609 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2nccc2C)cc1 14066376 BXXKUOUBJPNDRX-FQEVSTJZSA-N 441.557 2.626 0 40 IFAB CC(=O)N1CCN(C(=O)CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)CC1 14121949 MHZJASHMNBQGSM-OAQYLSRUSA-N 431.583 2.755 0 40 IFAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 16713254 ANMPVQLMFLYNJC-BOPFTXTBSA-N 445.522 2.571 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)NC3CC3)c12 16992730 JIOXUJUAVZRTOZ-INIZCTEOSA-N 428.489 2.798 0 40 IFAB CCn1ncc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)c1C 19523987 UDGVNPZBSDXAOG-NHCUHLMSSA-N 439.608 2.732 0 40 IFAB Cc1ncc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)c(C)n1 19552545 BAUAQFDQBBLYSA-NRFANRHFSA-N 426.480 2.953 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CCCN2CCCC2=O)nc2c1CC(=O)N2CC1CC1 19739759 RVKVIEHRTGJFAI-IBGZPJMESA-N 439.560 2.540 0 40 IFAB COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccc(OC)cc2)CC1 19743666 CMLCLWHOYOFYFT-UHFFFAOYSA-N 437.544 2.689 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 20022257 UXINPYOCNFNISA-NRFANRHFSA-N 444.553 2.589 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)CC1 20063162 GZECSZXOCANVPN-UHFFFAOYSA-N 428.510 2.664 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3c(F)cccc3Cl)c2)CC1 22402557 RCRZPZAPQCZMKY-UHFFFAOYSA-N 439.940 2.687 0 40 IFAB CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCN(CC)CC3)c(O)n2n1 22854486 ZHDCONMHXUMGMZ-GOSISDBHSA-N 431.562 2.803 0 40 IFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 25179882 RRWBIQMHBLCTDO-OAQYLSRUSA-N 440.496 2.834 0 40 IFAB Cc1cc(NC(=O)CN2CCN(C(=O)CCCc3ncc(-c4ccccc4)o3)CC2)no1 33228869 UKRSEUYKZQEKIV-UHFFFAOYSA-N 437.500 2.744 0 40 IFAB O=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1)[C@@H]1Cc2ccccc2CN1 35485265 OGAOLUYPEVGMKN-NZQKXSOJSA-N 429.476 2.926 0 40 IFAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)c2csc(-c3cc4ccccc4[nH]3)n2)cc1 35598441 YMISLPZMICSNSL-UHFFFAOYSA-N 426.523 2.911 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(Cl)cc23)c1 35808851 WWVKMMNZJNDWBR-GAUMXTCASA-N 445.903 2.502 0 40 IFAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 40071663 RETFYMYXFXCULV-LBPRGKRZSA-N 449.433 2.607 0 40 IFAB C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 40094776 NLRPAGAFRLNOFH-MRXNPFEDSA-N 427.464 2.921 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccc2c1CCCC2 40098138 AJDCGWNQFVYDPL-UHFFFAOYSA-N 435.571 2.970 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3N3CCCCC3)CC2)cc1 40129204 KMTMDWLDCORKQY-UHFFFAOYSA-N 428.558 2.527 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 41085775 HFCLWHJCESZYSV-UHFFFAOYSA-N 449.511 2.915 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC(C)C 43732382 XETHEVMKXOHDGK-TWOQFEAHSA-N 435.615 2.798 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCC(C)CC3)CC2)cc1 44840889 NKYUDGMJVNRKTL-UHFFFAOYSA-N 435.634 2.775 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1OC 58481554 LCQYMWISTVTHIY-AWEZNQCLSA-N 426.473 2.891 0 40 IFAB c1ccc2c(c1)CCN(c1nc(N3CCOCC3)nc(N3CCc4ccccc4C3)n1)C2 58602915 DVGQWRBWTGLYPF-UHFFFAOYSA-N 428.540 2.834 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN[C@@](C)(CNC(=O)OC(C)(C)C)C3CC3)CC2)c1 79105460 RZOIODVDWLAVRS-DEOSSOPVSA-N 430.593 2.927 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)cn1 95472229 SSYZJSLEQIRANP-SNVBAGLBSA-N 430.262 2.721 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNS(=O)(=O)c2cn(C)cn2)CC1 100688393 NYASBDSNKYVUHZ-OKILXGFUSA-N 447.586 2.642 0 40 IFAB CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119230621 IRJWPUOTLSQRFN-MMDOCVNVSA-N 444.524 2.835 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 223713038 CWTZCDRGGFFGCD-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224539643 GIZQYQXGERCUQW-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224992955 DEQPJSWZYNNXJM-HNNXBMFYSA-N 437.949 2.970 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 225693872 ZGXDCRPGUFLGDM-LBPRGKRZSA-N 448.979 2.859 0 40 IFAB CN(C)CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225788285 IXLXAMKHQZZTJH-UHFFFAOYSA-N 425.963 2.605 0 40 IFAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260897613 JFDNHUSBRIOJAL-HOCLYGCPSA-N 438.933 2.759 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccccc3)CC2)cc1F 390831742 UMJGVZKXDXUGSR-UHFFFAOYSA-N 427.519 2.602 0 40 IFAB COC[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 408617585 BTVDVJUDUVMWED-CQSZACIVSA-N 428.913 2.821 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2OC)cc1 408661244 FGEZUQPKOSSLJN-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(OC(C)C)c(OC)c2)cc2c(O)nnc1-2 524733851 VYNBTXQQQUVQBU-HNNXBMFYSA-N 429.429 2.735 0 40 IFAB Cc1nc(-c2cccc(-c3noc(CN4C(=O)N[C@@]5(CCc6ccccc65)C4=O)n3)c2)n[nH]1 565864930 CSFHKYXEZBZUJP-HSZRJFAPSA-N 441.451 2.724 0 40 IFAB COC(=O)C[C@@H](c1c[nH]nc1-c1ccccc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419320 RUJLIOGFDPBLRN-SFHVURJKSA-N 447.495 2.913 0 40 IFAB CN(C(=O)Cc1ccc(Br)cc1)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565519622 UVNFDAZMSZFGGW-UHFFFAOYSA-N 441.333 2.654 0 40 IFAB CC(C)c1nc(CC(=O)N2CC[C@H]3C[C@H](CN4CCC5(CC4)CC(F)C5)O[C@H]3C2)no1 2056226539 UGTYHZVYUSHVDM-UHOSZYNNSA-N 434.556 2.956 0 40 IFAB O=C([C@H]1C[C@@H](NCc2ccc(F)cc2F)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCCC1 2332241870 WRIDVQRVOKWIAO-RCVZYCBYSA-N 430.499 2.811 0 40 IFAB COc1ccc(OCc2nnc(S[C@@H](C)C(=O)NC(N)=O)n2-c2ccccc2F)cc1 2660768 XLHYLAABSQDZQP-LBPRGKRZSA-N 445.476 2.670 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(c2ccc(F)cc2)CC1 3316937 TWISERKDGSNUJB-UHFFFAOYSA-N 437.562 2.563 0 40 IFAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NC(=O)NCc1ccco1 6498551 USVAODRFSFPDHD-UHFFFAOYSA-N 436.291 2.945 0 40 IFAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2N)n1 7530510 GYFYOFHNRLWCSC-HILYYZTDSA-N 429.594 2.608 0 40 IFAB COc1ccc(C)cc1/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 8734678 JLRHGJBMQHPQTN-WEVVVXLNSA-N 446.525 2.685 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NCCC1=CCCCC1 9033971 LRJOQNKYVZBDIC-KSFYIVLOSA-N 428.485 2.871 0 40 IFAB biogenic Cc1ccc(NC(=O)[C@H](C)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9283969 KXMICGWONRMBOB-SFHVURJKSA-N 443.569 2.796 0 40 IFAB Cn1c(=O)c2sccc2n2c(CCCC(=O)NCCc3c[nH]c4ccccc34)nnc12 9431323 JTRSCXCRXZCXOE-UHFFFAOYSA-N 434.525 2.806 0 40 IFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 9489330 QHBCFJXRIWICHP-LLVKDONJSA-N 426.878 2.871 0 40 IFAB COc1ccccc1-c1nc(SCC(=O)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 9517558 CXMDJFFOGMDCJZ-UHFFFAOYSA-N 448.504 2.678 0 40 IFAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1Cl 9517831 PLFKSRDWTJRONL-UHFFFAOYSA-N 434.887 2.918 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 9691896 OQCURRFRUUTHJD-LBPRGKRZSA-N 439.921 2.793 0 40 IFAB COc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1 12645664 APARZAJTZAOUQV-HNNXBMFYSA-N 425.528 2.884 0 40 IFAB CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 12765764 LFGKZQSZVMAVTR-UHFFFAOYSA-N 438.459 2.858 0 40 IFAB C[C@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12974796 ZFTBGWLUQNAHPA-OAHLLOKOSA-N 447.523 2.849 0 40 IFAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1c(F)cccc1Cl 12975135 QAYSMBOLGBEGSZ-SFHVURJKSA-N 439.940 2.953 0 40 IFAB COc1cc([C@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccco2)ccc1OC(F)F 12982019 ZVVLVAPDIQHAKQ-DLBZAZTESA-N 446.410 2.814 0 40 IFAB CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1OC 13130874 YISSKYWXQTWBOL-LBPRGKRZSA-N 428.367 2.698 0 40 IFAB O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc2c(c1)OCO2 13549809 SPZCJXABOCNBMJ-UHFFFAOYSA-N 438.484 2.760 0 40 IFAB Cc1cc2nc(COC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc(=O)n2o1 15772364 QFZVVCUYRWZVHB-UHFFFAOYSA-N 439.449 2.754 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 19123082 STZUQQVMWNCMCN-UHFFFAOYSA-N 436.516 2.805 0 40 IFAB CC(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)Cc3coc4c(C)c(C)ccc34)[nH]c2=O)C1 19221717 ZBIXUPKUXQSEGQ-OAQYLSRUSA-N 448.523 2.944 0 40 IFAB O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 19341900 LVIWRESYCXWKIC-TZIWHRDSSA-N 441.601 2.854 0 40 IFAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)CCN5CCCC5=O)CC4)c(=O)c23)C1 19497201 FLNPZQBYMHSTIT-OAHLLOKOSA-N 442.585 2.759 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502701 SQQDKOQYXSYEBR-QFIPXVFZSA-N 444.535 2.990 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527310 ABGVLQAOKKJDJM-JOCHJYFZSA-N 444.535 2.909 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19528795 LTOVIMIRDQTAIR-RLWLMLJZSA-N 433.552 2.729 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)c1 19694926 MMBJRDFJTMOFQI-QGZVFWFLSA-N 436.516 2.858 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2S(=O)(=O)Cc2ccccc2)n1 19709911 WXIOQNBWBZEFCT-HXUWFJFHSA-N 445.589 2.578 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccc(F)cc1 20244429 BWPUCZFOGIYGHN-UHFFFAOYSA-N 443.541 2.627 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 21873721 UUDSPPYZIKGHOR-HSZRJFAPSA-N 440.931 2.764 0 40 IFAB CSc1nc2nc(C)c(CC(=O)N(C)Cc3ccccc3N3CCOCC3)c(C)n2n1 22696766 GRCDVNFYAOWZSL-UHFFFAOYSA-N 440.573 2.501 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1 24048308 FPAZOAPZRHDKEQ-AWEZNQCLSA-N 440.468 2.700 0 40 IFAB O=C(c1cc(S(=O)(=O)Nc2ccc(I)cc2)c[nH]1)N1CCCC1 29435219 FFSLBUPRPKZFER-UHFFFAOYSA-N 445.282 2.656 0 40 IFAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ncc(Br)cn4)CC3)c2c1 32090710 BXFWWQZZUFINFO-KRWDZBQOSA-N 430.306 2.977 0 40 IFAB C[C@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32672004 TZLNAPOGZFNPON-AWEZNQCLSA-N 430.482 2.613 0 40 IFAB CC(C)n1ncc2cc(C(=O)NCc3ccc(CN4C(=O)NC(C)(C)C4=O)cc3)cnc21 32926629 IEXGOXDDMGKENP-UHFFFAOYSA-N 434.500 2.773 0 40 IFAB CCCN(C(=O)COc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 33469784 KYLCMJULFKZWMY-UHFFFAOYSA-N 442.903 2.643 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC(C)C)c(OC)c3)C2=O)o1 35352395 YLQIOZLUKTYZBV-NVNXTCNLSA-N 444.440 2.964 0 40 IFAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 39979929 UNZUGDODLGYMBY-UHFFFAOYSA-N 438.495 2.945 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC[C@@H](C)Cn3nc(C)cc3C)CC2)c1 40142475 GZEBWNUMOYLFDP-MRXNPFEDSA-N 442.560 2.822 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c(C)c1 44900879 SZXOXVIPUNOOOI-UHFFFAOYSA-N 437.493 2.562 0 40 IFAB Cc1ccnc(Nc2nc(CC(=O)NCCn3nc(-c4ccco4)ccc3=O)cs2)c1 49029648 WRPGEMXBHGQIEP-UHFFFAOYSA-N 436.497 2.766 0 40 IFAB COc1cc(NC(=O)CSc2ccc3nnc(C(F)(F)F)n3n2)cc(OC)c1OC 61718330 PDHLPBTZSUJSHF-UHFFFAOYSA-N 443.407 2.900 0 40 IFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395579 QDJZTGDDZZLQFI-WMLDXEAASA-N 437.422 2.776 0 40 IFAB COc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccc(OC)c3OC)C2)c1 89469739 HVFSBEMFSSPVCD-OAQYLSRUSA-N 439.512 2.722 0 40 IFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)O 95941738 JVTBIHIUDVMIRU-UHFFFAOYSA-N 439.511 2.998 0 40 IFAB O=C(c1ccccn1)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 96263965 SRFKELCKPNLROI-OALUTQOASA-N 427.526 2.548 0 40 IFAB COc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 103155139 HMFVNIBUVSOZIM-MKXGPGLRSA-N 447.896 2.848 0 40 IFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(OC)n(C)nc2c1 206799180 UWIJVAFDRWHBEB-RDTXWAMCSA-N 427.432 2.556 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)cc1 220323830 FFJMFRXUVWVOEG-HNNXBMFYSA-N 446.504 2.997 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1F 222653831 KDDPQOIKRZKLCG-UHFFFAOYSA-N 437.512 2.860 0 40 IFAB Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c(C)c1 225171045 VXNXBKGADAMJAA-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)cc2)CC1 226036611 WSQOVUYRAZWHCF-UHFFFAOYSA-N 434.489 2.680 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2CN2CCCCC2)Oc2ccccc21 260894877 GDJXGXQBPKIJQB-JOCHJYFZSA-N 443.569 2.516 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2cccc(C)c2)cc1 408616382 YHXSPZFSWUUNAU-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Cl)c1 408635397 AKPRIZCSLLEGDS-AWEZNQCLSA-N 426.922 2.521 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 409316869 MVTVXNVTLJKCKG-UHFFFAOYSA-N 440.905 2.848 0 40 IFAB Cc1cc(N2CC[C@@](O)(CN(C)Cc3cccc(OCCN4CCCCC4)c3)C2)ncn1 585274656 ZGZSXLMLPYWSJH-RUZDIDTESA-N 439.604 2.723 0 40 IFAB CCCc1cc(C(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)no1 585283924 FQTAIAGDZWHQKM-OAQYLSRUSA-N 435.908 2.755 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)cc2c1 879488 XNYADNKXRDBRHS-VQTJNVASSA-N 445.585 2.961 0 40 IFAB COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CCCCC3)c(=O)[nH]c2cc1OC 1222816 KQRFKRWOEUGMQT-LJQANCHMSA-N 426.521 2.862 0 40 IFAB COc1ccccc1-n1c(SCC(=O)Nc2nnc(C)s2)nc2c(c1=O)SCC2 2719811 CSZGPJWKOHCPKJ-UHFFFAOYSA-N 447.567 2.780 0 40 IFAB aggregator CCOC(=O)[C@](Nc1ccccc1C(=O)O)(NS(=O)(=O)c1ccccc1)C(F)(F)F 3067632 DEGHIKUGYZECCM-KRWDZBQOSA-N 446.403 2.597 0 40 IFAB COc1ccc(Cn2nnnc2[C@H](c2cc3cc(OC)ccc3[nH]c2=O)N2CCCC2)cc1 6239847 ZQRGELSKWDOEAX-QFIPXVFZSA-N 446.511 2.765 0 40 IFAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2c(C)cc(C)cc2C)c(=O)c3=O)cc1 8849394 OLCQSEIWHYIZAR-UHFFFAOYSA-N 449.511 2.519 0 40 IFAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 9420117 FMYMXFGSTIZROW-IBGZPJMESA-N 444.454 2.523 0 40 IFAB CCOc1ccc(CCNC(=O)COC(=O)[C@H]2COc3ccccc3O2)cc1OCC 9467058 LBBYXVAYNCJNLW-OAQYLSRUSA-N 429.469 2.526 0 40 IFAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Br)cc2)n(C)c1=O 9519039 ZUDUCDZLFDOZNH-GFCCVEGCSA-N 432.322 2.857 0 40 IFAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3Cc2ccccc2)n(C)c1=O 9519111 DDDPQBMGLLHAOG-QGZVFWFLSA-N 429.524 2.910 0 40 IFAB C[C@@H](C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1C(=O)c2ccccc2C1=O 9561801 WDMUNWBFEAUQQN-NSHDSACASA-N 437.477 2.591 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)nc1C 9638917 VAAKACXQPHAWHR-CQSZACIVSA-N 447.538 2.985 0 40 IFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCCCn3ccnc3)CC2)c(C)c1C 9915005 QYPQAPGJOFMBNI-UHFFFAOYSA-N 447.605 2.531 0 40 IFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 11083442 OSSKXFJJSYQJJE-UHFFFAOYSA-N 438.553 2.988 0 40 IFAB CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2nccn2C)C1 12087523 GRBBPKCHVIHZAE-CYFREDJKSA-N 437.544 2.557 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H](C)n4nc(C)c5ccccc5c4=O)C3)cc2n1 12134501 VLRZOSAPDTUOKH-SJORKVTESA-N 446.511 2.729 0 40 IFAB C[C@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)OCCO2 12569101 GHXPKBUCSXBAKB-HNNXBMFYSA-N 445.479 2.690 0 40 IFAB C[C@]1(CSc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCC2)NC(=O)NC1=O 12751943 CSXGVNCSCLYUGJ-OPAMFIHVSA-N 442.541 2.537 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 12886056 HBQUHFZMVVBXFM-JOHILTGISA-N 436.574 2.670 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 12948168 LYJOMASJZHVERQ-WBMJQRKESA-N 430.432 2.517 0 40 IFAB NC(=O)NC(=O)[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 13062609 GIRCPUDLKVAVAY-ZDUSSCGKSA-N 438.391 2.589 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccn2)CC1 13164267 UGIFGVCTBAKUNT-SFHVURJKSA-N 432.977 2.935 0 40 IFAB CC[C@H](C)[C@H](NC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1)C(=O)O 13577058 WZPOGRXDAQHQKR-GKCIPKSASA-N 435.480 2.809 0 40 IFAB CCN(c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 13585271 HSOJSDGDIGAUBO-HXUWFJFHSA-N 432.542 2.884 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 14867826 FFXFLXLLXAYZOX-UHFFFAOYSA-N 445.566 2.577 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 16038763 WNZKBVGVJPAPQM-MYGLTJDJSA-N 429.476 2.909 0 40 IFAB COc1ccc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc1Cn1ccnc1 19559483 ISOKPTDATBDZAS-MRXNPFEDSA-N 447.586 2.575 0 40 IFAB CN(C)C(=O)c1cc([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)nc2ccccc12 19761444 MZRYBBKARBPFBW-INIZCTEOSA-N 428.496 2.697 0 40 IFAB CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819813 SIHWUJOACBWWJS-HXUWFJFHSA-N 432.542 2.891 0 40 IFAB CCc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(OC)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1 19948773 JHQGHOSISVNMBQ-DRUFCSCSSA-N 436.464 2.559 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc3sc4ccccc4n13)C2=O 21128287 OQUVXHUGJCCQPS-UHFFFAOYSA-N 444.542 2.568 0 40 IFAB COc1ccccc1N1CCN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)CC1 22384137 JKXQCBBZIRYUGF-UHFFFAOYSA-N 445.585 2.933 0 40 IFAB COc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22928982 LRFBUIWOKZSDOB-ZJSXRUAMSA-N 448.571 2.768 0 40 IFAB Cc1c(C(=O)NCCc2nnc3ccccn23)cnn1-c1ccc(Br)cc1 26303963 KFXANEHDKVUFFY-UHFFFAOYSA-N 425.290 2.958 0 40 IFAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29232417 FOBFNGBAIHDYSH-LEWJYISDSA-N 438.528 2.530 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccn1)[C@H]1CC(=O)N(c2ccccc2)C1 32069978 JHHINUWMMFIMHB-PZJWPPBQSA-N 428.492 2.801 0 40 IFAB O=C(Cn1c(=O)nc(-c2ccccc2)c2nc(N3CCOCC3)sc21)Nc1ccccc1 32615573 JBQFSSRBMVEJLR-UHFFFAOYSA-N 447.520 2.995 0 40 IFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 32777601 ZJYZOUZYDDTQEK-OAQYLSRUSA-N 439.443 2.952 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1 32946543 KNAMSPLUEFLJRM-CYBMUJFWSA-N 432.571 2.753 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2cc(S(N)(=O)=O)ccc21 32946707 RGHHTDGCNGPZIL-UHFFFAOYSA-N 428.898 2.744 0 40 IFAB O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)OCC(=O)N1CCCC1 39476111 OPFKCJWSJWVDIM-UHFFFAOYSA-N 433.508 2.737 0 40 IFAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 40104235 HHIPITUAMHKIEQ-KRWDZBQOSA-N 437.422 2.746 0 40 IFAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[nH]c(=O)c21 40399839 NBTABXBBBVMYBW-HNNXBMFYSA-N 449.467 2.985 0 40 IFAB CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 41098154 OPGLOLYUTULGIH-OPAMFIHVSA-N 437.496 2.590 0 40 IFAB CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)NCc3cccs3)nc12 49009225 WJXZYPFALKQZMY-UHFFFAOYSA-N 425.539 2.983 0 40 IFAB Cc1cc(=O)oc2cc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)ccc12 57964369 WZIZOBLGACVZMW-UHFFFAOYSA-N 427.482 2.615 0 40 IFAB COc1cccc(C[C@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 58014121 ADYOACDIOTUKFS-DENIHFKCSA-N 448.527 2.651 0 40 IFAB O=S(=O)(NC1CCN(Cc2csc(-c3ncccn3)n2)CC1)c1ccc(F)cc1 58179592 RUHDWIFRHQWDSP-UHFFFAOYSA-N 433.534 2.682 0 40 IFAB CCc1ccccc1NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 71328356 OECCMPRSNYEDOX-UHFFFAOYSA-N 447.451 2.993 0 40 IFAB O=C(Nc1nnc([C@H]2CCCO2)s1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 71328890 HRBKTQUEPKYOCC-HZPDHXFCSA-N 447.586 2.698 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C)CC(=O)NC(C)C)cc1 72296917 JNHDBGFDWUQWPK-QGZVFWFLSA-N 431.558 2.935 0 40 IFAB Cc1ccccc1-n1nc(C(=O)OCCN2CCN(C(=O)C3CCC3)CC2)c2c1CCC2 72310665 MIWQZGXHEURATR-UHFFFAOYSA-N 436.556 2.771 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1nnn(-c3ccc(Br)cc3)n1)CC2 77100483 IXBJAHVYYLFGMV-UHFFFAOYSA-N 444.289 2.641 0 40 IFAB COCCn1cnc(-c2cc(C(=O)N3CCN(c4ccncc4)CC3)c3ccccn23)c1 96154915 ZFZMTLRHVGYXKQ-UHFFFAOYSA-N 430.512 2.807 0 40 IFAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCCC[C@H]4C)cc32)n1 96267830 SZQRARLTGOMVQE-QAPCUYQASA-N 431.562 2.785 0 40 IFAB CCOC(=O)/C=C1/SCC(=O)N1CCSc1nnc(-c2ccc3c(c2)OCO3)o1 96915626 ZKSGVLXTLCZAPT-OVCLIPMQSA-N 435.483 2.537 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 220271383 RNFBOPDDOVAYAX-QGZVFWFLSA-N 433.549 2.891 0 40 IFAB CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220591788 FLCOKTHVCSPHAQ-FQEVSTJZSA-N 433.549 2.715 0 40 IFAB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 225633438 ADGUZFXRDCFUNX-STQMWFEESA-N 436.249 2.772 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 225964412 XGCPIZQMYFANKK-UHFFFAOYSA-N 436.530 2.771 0 40 IFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 247487112 AHWLSUFRFUYNMD-UKRRQHHQSA-N 441.550 2.762 0 40 IFAB O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1n[nH]c2ccccc12 257226883 FMPKZCULOUKFTB-JQYIIUTOSA-N 448.567 2.866 0 40 IFAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2nonc2N)CC1 257238073 HJLSIMWBILTRKR-UHFFFAOYSA-N 439.541 2.982 0 40 IFAB Cc1nc2ccc(C(=O)N(C)C[C@@]3(O)CCCN(c4ccnc5cccnc45)C3)cc2[nH]1 257282182 OSSIDZCHEJKBEW-DEOSSOPVSA-N 430.512 2.918 0 40 IFAB CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccn12 306136934 QHAKYCIDQNPNQI-IBGZPJMESA-N 447.543 2.510 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408655530 DHRSVOWEYZXKFH-LSLOVBDISA-N 439.295 2.896 0 40 IFAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 514289374 JFRJUZIGFWPERR-XXBNENTESA-N 432.480 2.533 0 40 IFAB biogenic,in-vitro COc1ccc(C(=O)NCCCNC(=O)c2ccc(OC)c(OC)c2C)c(C)c1OC 561548023 NEVNBIBMXRYNPD-UHFFFAOYSA-N 430.501 2.888 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](OCCO)c3ccsc3)n(C)n2)c1 575618686 AXXXGQKTCFAXDH-HXUWFJFHSA-N 431.514 2.646 0 40 IFAB C[C@@H](c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1)n1ccc2ccccc2c1=O 685286162 FSNKHLWNIUSFPB-ZAMGYDSWSA-N 429.436 2.715 0 40 IFAB O=C(O)CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCS(=O)(=O)CC1 685945080 SRXFXEJKABHQNJ-UHFFFAOYSA-N 429.494 2.947 0 40 IFAB Cn1cnc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 1258994878 DNKBPGBUGXLFJR-GHTZIAJQSA-N 442.566 2.693 0 40 IFAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnc(N)s2)cc1 3403677 AHCDLNUPYMXBRE-UHFFFAOYSA-N 443.554 2.832 0 40 IFAB CCN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)[C@@H]1CCS(=O)(=O)C1 4195373 ZCXWTPJSCMRCLU-OAHLLOKOSA-N 449.529 2.912 0 40 IFAB CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)N3CCOCC3)nn2)cc1 8299265 LIQBUORNQHVQAQ-FCEUIQTBSA-N 437.588 2.812 0 40 IFAB biogenic,in-vitro c1ccc(-n2nnnc2Sc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1 8431087 JINFGKQSRJPALQ-UHFFFAOYSA-N 438.527 2.792 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1cccc(C)c1)c1ccccc12 8843686 HKPWLTTWWYTOIB-QFIPXVFZSA-N 438.509 2.576 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)N1CCN(c2ccccc2)CC1 9382961 RHPITMVIKAJPHD-UHFFFAOYSA-N 448.914 2.584 0 40 IFAB CCc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 9429811 PHJMYEHQOWCSOE-UHFFFAOYSA-N 434.525 2.817 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)[C@@H](c3ccco3)C2)cc1 9453842 PYYXPPVCAWMTRU-JPYJTQIMSA-N 436.468 2.686 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 9465309 MRDRNLHHVIISTI-UHFFFAOYSA-N 435.575 2.780 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 9492463 DKQRXAHJICOKQC-UHFFFAOYSA-N 429.542 2.644 0 40 IFAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)c3ccc(OC)cc3)c2=O)cc1 9660614 NQWIBLIDFSCKHX-UHFFFAOYSA-N 431.448 2.507 0 40 IFAB COCCNC(=O)NC(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 11759782 QBVDQLFDROPRLJ-UHFFFAOYSA-N 436.549 2.935 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@]3(CN(C(C)=O)Cc4cc(C)ccc4O3)C2)cc1 12087190 VPGIWJLQZZSUBP-QHCPKHFHSA-N 444.553 2.968 0 40 IFAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130192 SMHRLSXBOUUXKU-CABCVRRESA-N 446.360 2.737 0 40 IFAB CCN(CC)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 12597233 SJPIXZTYHBTRPU-UHFFFAOYSA-N 425.558 2.560 0 40 IFAB Cc1ccc(OCCOC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 13039239 PUIUPTUGIAXADV-UHFFFAOYSA-N 445.541 2.687 0 40 IFAB CCOc1cc(C(=O)OCn2nnc3ccccc3c2=O)cc(Br)c1OC 13137649 LWHOFXDBWIQNIM-UHFFFAOYSA-N 434.246 2.776 0 40 IFAB Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1C 13501949 GDAFHHKNNVGNRN-GOSISDBHSA-N 444.557 2.807 0 40 IFAB CCOC(=O)c1c(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)sc2c1CCC2 13566757 IZESGYPTEVXESJ-UHFFFAOYSA-N 440.518 2.957 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1ccccc1)S(C)(=O)=O 13711145 AUDUHKWCEOPOOS-IBGZPJMESA-N 431.558 2.589 0 40 IFAB Nc1nc(COC(=O)CCS(=O)(=O)c2ccccc2)nc(Nc2ccc(Cl)cc2)n1 14244995 GCOOIXGCTVXNIH-UHFFFAOYSA-N 447.904 2.758 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 15858296 MTMHWTWMQRYNRK-UHFFFAOYSA-N 436.873 2.836 0 40 IFAB CC(C)CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O 16046321 DOKSOOSMUDEVLV-KRWDZBQOSA-N 443.285 2.976 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 16097271 MAVQIWKZPNBABV-UHFFFAOYSA-N 429.454 2.574 0 40 IFAB O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1 16638677 COWOGMNDGMGPQB-UHFFFAOYSA-N 440.500 2.984 0 40 IFAB COc1cccc(C(=O)N2CCO[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19564698 RTPGWYZPHMCFKG-RUZDIDTESA-N 431.492 2.696 0 40 IFAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c(=O)n1 19692253 WMESBCYQUQXCMO-QFIPXVFZSA-N 436.487 2.585 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 19694719 PQOJPQAQDBEITL-LJQANCHMSA-N 445.523 2.703 0 40 IFAB Cc1ccc(CC(=O)N2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)cc1 19701364 ZEOATBRIZNOWLT-UHFFFAOYSA-N 440.588 2.571 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@@H]1c1cc(CCOc2ccc(C(F)(F)F)cc2)[nH]n1 19703616 YNBMSMIDELTIOU-QGZVFWFLSA-N 432.468 2.993 0 40 IFAB Cc1cc2c(cc1CN1CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)n(C)c(=O)n2C 19757652 IPVPJAUIFYMOOH-SFHVURJKSA-N 448.571 2.509 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1C(=O)N1CCCC1 20451701 KXKWHIJJNABPPK-UHFFFAOYSA-N 440.525 2.595 0 40 IFAB O=C(CN1C(=O)[C@@]2(SCC(=O)N2c2ccccc2)c2ccccc21)NCc1ccco1 20573831 YWDHCJITRWSVGQ-QHCPKHFHSA-N 433.489 2.875 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 20768612 NFZJMNULZKIYIK-UHFFFAOYSA-N 438.571 2.657 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cncc(Br)c1 21330924 AWZZUKUTTLOFJM-ZDUSSCGKSA-N 434.290 2.761 0 40 IFAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 21899173 SPZVLCYJGWKBIC-UHFFFAOYSA-N 442.497 2.798 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)c2)cc1F 22612540 SQXSMLQCZIKLNK-IRXDYDNUSA-N 449.548 2.774 0 40 IFAB COc1ccc(F)cc1CN1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1 22786422 JPAOYFQHOYXNNL-UHFFFAOYSA-N 437.523 2.971 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 22929608 WQKWQQRBVBUYLY-QHAWAJNXSA-N 428.621 2.548 0 40 IFAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OCC 24752398 BHJAGHPBQBNVMX-HZPDHXFCSA-N 427.567 2.577 0 40 IFAB CCC[C@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@H]1CCCO1 24959415 BOPQELSVVLSOTB-GOEBONIOSA-N 447.557 2.759 0 40 IFAB CCOc1cc2c(cc1OCC)CN(CN1C(=O)C(=O)N(Cc3cccs3)C1=O)CC2 30281870 YUBXSKVKUZAJCJ-UHFFFAOYSA-N 443.525 2.852 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCC(C(N)=O)CC3)c2)cc1 30853622 OZTVFTJJRYBAAA-UHFFFAOYSA-N 435.933 2.787 0 40 IFAB CN1C[C@@H](NC(=O)c2cnccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 30879503 KTVVDGBWMISVJH-WFASDCNBSA-N 434.378 2.600 0 40 IFAB biogenic,in-vitro CN(CCc1ccccn1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 36391607 RWECFEMTYKPRHO-UHFFFAOYSA-N 439.324 2.798 0 40 IFAB CC(C)CCN(C(=O)COC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 40140423 QZNZNPQETBXPAA-UHFFFAOYSA-N 428.533 2.505 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@@H]1c1cccs1 57415947 AHDYVZLAXNFDGH-OAQYLSRUSA-N 440.569 2.968 0 40 IFAB O=C(NCc1cc(Br)c2c(c1)OCO2)[C@H]1CCCN1C(=O)c1ccccc1O 63819804 PDGAOZAEBFGHQP-OAHLLOKOSA-N 447.285 2.804 0 40 IFAB CCN1CCN(C(=O)Cn2nc(C)nc2C)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 72351594 FHFLBKVFBCDPSR-QHCPKHFHSA-N 431.540 2.864 0 40 IFAB CCCC(=O)N1CCc2nc(C3CCN(Cc4nc5ccccc5n4C)CC3)[nH]c(=O)c2C1 72398749 BUTBGNAJZMREOD-UHFFFAOYSA-N 448.571 2.721 0 40 IFAB O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1ccc(N2CCCCS2(=O)=O)cc1 77200788 PHKBBSFNOLKHIM-UHFFFAOYSA-N 438.546 2.766 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N(C)C)cc1C(N)=O 95454795 KWUKDNWWCFQZPY-UHFFFAOYSA-N 444.557 2.587 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)Cn4nc(C)c(C(C)=O)c4C)C3)nn2c1O 100138463 UFDLBBADJBKIOZ-QGZVFWFLSA-N 438.532 2.728 0 40 IFAB CCCc1nnc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101421088 HAYUXCHZXQPHEW-MQOOWTBDSA-N 436.537 2.848 0 40 IFAB COc1ccc(N(CCCC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 113962705 JCRLHYWJYYGMML-UHFFFAOYSA-N 431.558 2.590 0 40 IFAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219980997 MIKXBVZDOKOVNF-UHFFFAOYSA-N 432.527 2.855 0 40 IFAB CCSc1nnc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 223847517 ABISXBQNJVJMCP-LBPRGKRZSA-N 448.979 2.859 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 224441117 CZQOJBXDQJGTDE-UHFFFAOYSA-N 442.541 2.533 0 40 IFAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225164772 PCVYLMNTGAPJLW-NRFANRHFSA-N 434.558 2.997 0 40 IFAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1N1CCCC1=O 225417345 YHBMZIRTPLFMTE-MRXNPFEDSA-N 445.541 2.924 0 40 IFAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 408558966 KSYOTXLQERNJSS-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 408638824 TTWPYKBKXGWOPS-PBHICJAKSA-N 425.437 2.649 0 40 IFAB Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4C)C3)CC2)c1 585287817 SMWBXZCVIPLJGA-AREMUKBSSA-N 440.584 2.777 0 40 IFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(N2CCSCC2)CCOCC1 1888875613 RXDKSSJXISFDKC-UHFFFAOYSA-N 438.537 2.723 0 40 IFAB CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cnccn3)n2)cc1 797069 ZGFMFONCMIGIPV-UHFFFAOYSA-N 428.456 2.584 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)c1 932274 HXDZJEJQSDXENE-UHFFFAOYSA-N 443.485 2.587 0 40 IFAB NC(=O)C1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 1105126 IMQUEWODBSANSS-XMMPIXPASA-N 437.565 2.841 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(F)cc1F 2092039 SUHJYAOFQCJYHR-VLIAUNLRSA-N 432.379 2.781 0 40 IFAB biogenic CCCCNS(=O)(=O)c1cc(S(=O)(=O)NCCCC)c2cccc3c2c1NC3=O 2476470 MTKIMUSRLQRERS-UHFFFAOYSA-N 439.559 2.562 0 40 IFAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 8723891 NWPCHTRRPRIVKN-UHFFFAOYSA-N 444.553 2.931 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C)c(F)c1 8972048 YVQDLJYUKHNMHC-BTYIYWSLSA-N 428.416 2.950 0 40 IFAB biogenic O=C(O)C1CCC(CNC(=O)[C@@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)CC1 9059093 KCHRTDQGIZBUNV-WIXQSORDSA-N 449.507 2.893 0 40 IFAB biogenic O=C(NCc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 9129422 BOXDUJWURISJAO-FQEVSTJZSA-N 443.459 2.519 0 40 IFAB CC[C@H]1C(c2ccccc2)=NN(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n21 9272127 PHAIFNYMNBHKGG-SFHVURJKSA-N 428.496 2.809 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(C)Cc2cccs2)c1 9441440 IYNAHWOAHPFABL-UHFFFAOYSA-N 442.534 2.733 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)cc1 9468742 CISWEXUMXUDKCW-UHFFFAOYSA-N 428.532 2.535 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O 9579051 WIYDWXIGYQZYDP-GYCJOSAFSA-N 440.544 2.566 0 40 IFAB NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 9739469 LFJGYSOPGQVJOP-UHFFFAOYSA-N 443.341 2.622 0 40 IFAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)[C@@H]4CC=CCC4)CC3)cc21 9783294 AJPSHVVAQQGBKC-OAHLLOKOSA-N 427.476 2.864 0 40 IFAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 11834823 TZBPECAYRZJJPF-HZPDHXFCSA-N 432.517 2.780 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21)c1cccc(Cl)c1 12071702 FDMQQLLGYQUWPK-UHFFFAOYSA-N 425.851 2.864 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)NCC(=O)Nc2ccccc2Br)C1=O 12769272 WZCSQVVZKFYOBV-CYBMUJFWSA-N 446.301 2.708 0 40 IFAB C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@@H](C)O1 12772703 ORXBTZAJTMQHQH-HUUCEWRRSA-N 429.970 2.562 0 40 IFAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1 12785963 MRZUCXOEJAXNNB-UHFFFAOYSA-N 425.570 2.995 0 40 IFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 12995026 JMRAEVFSGWFEKB-MRXNPFEDSA-N 430.526 2.736 0 40 IFAB CCCCn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCCc3ccccc31)c(=O)n2CCC 13040924 MFPGGZDJKPDMDW-IBGZPJMESA-N 437.544 2.764 0 40 IFAB CN(C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCCCC1 14093914 VVROKUYHHDEKDI-UHFFFAOYSA-N 439.597 2.997 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 14607346 YVKPTTBCGFLQAG-KRWDZBQOSA-N 435.440 2.652 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cccc2nsnc12 19078344 XREROSZPNCULEK-UHFFFAOYSA-N 439.280 2.910 0 40 IFAB Cc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cc1F 19214476 SPZGLWNWGAPGKA-NRFANRHFSA-N 436.487 2.768 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccccc3)CC1)O2 19219038 IUCKHOXNRPRKKY-NIYFSFCBSA-N 449.551 2.616 0 40 IFAB COc1ccc(OC)c(Cc2ccc([C@H]3CN(C(=O)c4ccc(N)nc4)CCO3)nc2)c1 19692301 ZGJHHUHQOOVOIC-JOCHJYFZSA-N 434.496 2.881 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2scnc2C)CCO1 19702850 HTGYQEBIMHQQQS-AWEZNQCLSA-N 446.554 2.651 0 40 IFAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(NC)n2)CCN(C(C)=O)C3)cc1 19707514 IATRESKBVGUAOR-OAQYLSRUSA-N 437.544 2.937 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)c1 19744003 BRFJZPCPINSBOH-NRFANRHFSA-N 444.601 2.692 0 40 IFAB O=C(c1ccc(Cn2cc(Cl)cn2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20058347 LUOJNMFQUXPZHT-UHFFFAOYSA-N 428.876 2.865 0 40 IFAB CCc1cccc2c(/C=C3\N=C(S)N(CC)C3=O)cn(CC(=O)N3CCOCC3)c12 20058665 GJPNCECBKLUZFL-PDGQHHTCSA-N 426.542 2.551 0 40 IFAB Cc1ccc(S(=O)(=O)c2cnc3cc4c(cc3c2N2CCOCC2)OCCO4)cc1 20381312 KUMKDJJBMMQWKJ-UHFFFAOYSA-N 426.494 2.984 0 40 IFAB COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)cc1F 21390470 LMTXBNQZHQMQQG-UHFFFAOYSA-N 435.446 2.577 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nc(C)cc(C)n4)CC3)CC2=O)cc1 21449468 MIWMLCDDOSUQHX-LJQANCHMSA-N 435.528 2.632 0 40 IFAB COc1ccc(Cl)cc1-c1noc(C(=O)NCCNC(=O)Cc2ccc(F)cc2)n1 21452663 BEAAJXXDXOJVOC-UHFFFAOYSA-N 432.839 2.626 0 40 IFAB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCN(Cc2ccccc2)CC1 22024816 SBRIJIJWRLLXIS-INIZCTEOSA-N 426.521 2.626 0 40 IFAB CN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4Cl)c(S)nc3c2)CC1 23114533 BSCMITHSVJKZGM-UHFFFAOYSA-N 428.945 2.775 0 40 IFAB COc1ccc(OCCN2CCN(C(=O)[C@H](C)NC(=O)OCc3ccccc3)CC2)cc1 23641577 SQTHGIIBBXADLX-IBGZPJMESA-N 441.528 2.533 0 40 IFAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(C[C@@H]2CCCO2)CC1 25609030 IQSFLOFZQRIWFZ-QFIPXVFZSA-N 431.540 2.930 0 40 IFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccccc1OC(F)(F)F 27233097 BELMVJSLULZJPL-UHFFFAOYSA-N 441.431 2.796 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccccc2F)CC1 28223560 FXMAZPKOPFBNDF-SFHVURJKSA-N 431.533 2.575 0 40 IFAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 32760731 IZSNWVCZFDVKMF-SFHVURJKSA-N 449.338 2.557 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 32868727 SIKICURJKFGFEM-HNNXBMFYSA-N 444.509 2.829 0 40 IFAB C[C@@H](C(=O)OCc1cc(=O)n2c(n1)sc1ccccc12)N1C(=O)c2ccccc2C1=O 32910205 VIOXOHWBMXANLA-LBPRGKRZSA-N 433.445 2.637 0 40 IFAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 35436360 ADORENBWWCNFAZ-UXHICEINSA-N 429.586 2.519 0 40 IFAB Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)cc2)n1 40106798 ZJOWKJLBEYVQJC-UHFFFAOYSA-N 442.541 2.839 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1ccc(-n3cccn3)c(F)c1)n2CC 40155649 NWFOHCUVTJQRMD-UHFFFAOYSA-N 425.468 2.643 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1F 60322808 KGDOJEFEQQAYBT-GOSISDBHSA-N 448.545 2.851 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)C3CN(C(=O)c4c[nH]c5ccccc45)C3)CC2)cc1 70812500 AFHUAIYADOHAMN-UHFFFAOYSA-N 430.508 2.791 0 40 IFAB Cc1ncn(CC(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)c(=O)c1C 77197918 GCNGFPRBTDVFGH-HNNXBMFYSA-N 427.505 2.924 0 40 IFAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(OC)cc2)CC3)C1=O 96036580 INWIIYLOCDYKIR-DEOSSOPVSA-N 428.577 2.513 0 40 IFAB O=C(O)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 96111687 RPZVQRYMJIMUES-UWJYYQICSA-N 443.459 2.989 0 40 IFAB biogenic,in-vitro CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2ccc(F)cc2)CC3)C1=O 96144456 WSDLNQISWUEICC-HSZRJFAPSA-N 445.539 2.676 0 40 IFAB C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 96689445 PWJZIBYSUKSFIX-KRWDZBQOSA-N 434.496 2.951 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2OC)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101165374 OCTOPBDGAYMASL-IEBWSBKVSA-N 441.871 2.954 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223651754 JJRMOVLJZBHIEC-IBGZPJMESA-N 445.585 2.623 0 40 IFAB O=C(NCCOc1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224218677 JMPWOBKAXUMETI-UHFFFAOYSA-N 430.570 2.856 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)Cc1ccccc1F 224538170 PKKJGBSQIYGAPN-UHFFFAOYSA-N 447.576 2.890 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 224611844 XFSVHDUJJYGBGN-UHFFFAOYSA-N 433.555 2.795 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)C1 225235551 WFRDCTNJXUYYMX-DQPIFXJKSA-N 434.587 2.509 0 40 IFAB COc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 225488740 KHVIHZITJSKAHN-UHFFFAOYSA-N 434.533 2.984 0 40 IFAB CN(C)c1ncc(-c2ccc3c(c2)CCO3)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257332989 XZOXIQWQZOECRY-LJQANCHMSA-N 432.528 2.747 0 40 IFAB O=C1O[C@]2(COCCN(Cc3ccnc(N4CCCCC4)n3)C2)CN1c1cccc(F)c1 257335781 YLVQVRMCSNHUFR-QHCPKHFHSA-N 441.507 2.834 0 40 IFAB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 408662063 WXHHWPYXQSPFRD-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)NC1=S 409214418 XUHKBCBGFKHBBU-SXGWCWSVSA-N 430.457 2.644 0 40 IFAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575613806 UTDUTSBVUPRTHM-QGZVFWFLSA-N 433.871 2.581 0 40 IFAB Cc1cc(C(=O)NC2CCN(CC(=O)N[C@@H](c3ccccc3)c3nccs3)CC2)no1 1116340424 RIHLELGKAGVMID-FQEVSTJZSA-N 439.541 2.540 0 40 IFAB Cc1cc(F)cc(CN2[C@@H]3CN(C(=O)CCc4ccccc4)C[C@@H]3OCCS2(=O)=O)c1 1534645833 JGBCGIZVSSXPCK-YADHBBJMSA-N 446.544 2.508 0 40 IFAB C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)(c2ccccc2)CC1 1542682478 JOLQJZUBJYQODO-FQEVSTJZSA-N 425.573 2.744 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)cc1 1775968914 YXEBEPHNPMEARI-CYBMUJFWSA-N 442.335 2.727 0 40 IFAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1 1888922041 SGEQCGUKACPZBN-WZONZLPQSA-N 433.516 2.699 0 40 IFAB O=C1CNC(=O)C2(CC=CC[C@H]3COCC[C@@H]3N1)CCN(Cc1c(F)cccc1F)CC2 2037844282 SBFZDZZUPDVZGO-UWJYYQICSA-N 447.526 2.535 0 40 IFAB O=C(CCc1ccc[nH]1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccnc1)C[C@H]2c1ccccc1 2055731772 UPAIEHQPBFBBET-JYFHCDHNSA-N 444.535 2.766 0 40 IFAB CC(C)(C)c1ccc(Cn2nnc3c(=O)nc(C4CCN(C(=O)C5CC5)CC4)[nH]c32)cc1 1324734 HFEPXNFBWZOSMU-UHFFFAOYSA-N 434.544 2.976 0 40 IFAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc2ncc(Br)cn2n1 2792761 ZORYLHGFZKADSP-UHFFFAOYSA-N 431.216 2.836 0 40 IFAB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 4762748 WVCKHCFMKROGJN-NRFANRHFSA-N 449.523 2.857 0 40 IFAB COc1ccccc1C(=O)NC(=O)COC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 8825170 BMMRUPIVXKJWCU-HNNXBMFYSA-N 444.509 2.564 0 40 IFAB CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 8923998 QRLGQGUMIOZWTK-BEFAXECRSA-N 429.498 2.540 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1 8981694 KLGPSTSQUQRWQZ-SFHVURJKSA-N 435.615 2.500 0 40 IFAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C)cc1 9262797 CBTWGOXJDAEOLS-UHFFFAOYSA-N 426.498 2.737 0 40 IFAB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)cc3)C2)cc1 9349071 VDCJYALFENUNFI-IBGZPJMESA-N 437.543 2.568 0 40 IFAB CCOc1ccc(CCNC(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1OCC 9467056 LBBYXVAYNCJNLW-NRFANRHFSA-N 429.469 2.526 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9728106 RFJCGFFPKYXFGE-UHFFFAOYSA-N 436.917 2.524 0 40 IFAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 10542134 VTUDVDZKHORWLZ-LLVKDONJSA-N 437.345 2.560 0 40 IFAB O=C(c1c(F)cccc1F)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 11694106 DIQCWGIUNGXJHA-UHFFFAOYSA-N 429.423 2.570 0 40 IFAB Cc1nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c(O)c1C 12161489 VOROXMMOWVDHOS-IBGZPJMESA-N 442.541 2.752 0 40 IFAB O=C1COc2ccc(S(=O)(=O)N3CCN(Cc4csc5ccccc45)CC3)cc2N1 12769112 MAPPBWNNKGAIDV-UHFFFAOYSA-N 443.550 2.739 0 40 IFAB O=S(=O)(Cc1ccccc1)NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1 13951660 MSHRJRCSKJZFHT-UHFFFAOYSA-N 443.916 2.943 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 14797189 CRXFKAUJYDBIPX-QPJJXVBHSA-N 436.917 2.521 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 14900006 FCPTUGPIKDESRF-JTQLQIEISA-N 434.378 2.661 0 40 IFAB CS(=O)(=O)N1CCN(c2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1 19572571 LRRXISIXJIOUPE-UHFFFAOYSA-N 431.468 2.565 0 40 IFAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc2c1CCCN2C 19706124 CJBCVWGUMHCQTQ-KRWDZBQOSA-N 443.529 2.518 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)Cc1ccc(C)c(C)c1)CC2 19710245 FHERTDBEBXWVTL-FQEVSTJZSA-N 435.572 2.988 0 40 IFAB CCN1CCN(CC(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)CC1 20405426 WHYSMOICDDPQDN-UHFFFAOYSA-N 425.552 2.728 0 40 IFAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCCN3CCOCC3)nn1-c1ccccc1)C2 20720270 CYPVGGSEERWEPH-UHFFFAOYSA-N 448.523 2.523 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 22509768 LZBPBGRWQACLFQ-SFHVURJKSA-N 444.582 2.959 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c1C 23469926 GMIIURNEIUUMGP-INIZCTEOSA-N 443.500 2.725 0 40 IFAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(=O)n(CCOc2ccccc2)n1 25315686 FLDIBLJOLIDZKN-UHFFFAOYSA-N 447.491 2.915 0 40 IFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(F)cc(Br)cc1Br 28223191 CENVBVHSJZGZHV-SNVBAGLBSA-N 444.120 2.713 0 40 IFAB Cc1cc(C)n(C2=Nc3sc4c(c3[C@@H](NCCCN3CCOCC3)N2)CCCC4)n1 28286560 CBBASLQSBOHMIE-FQEVSTJZSA-N 428.606 2.890 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C1 29081364 BSIBRXNYCNCTLG-SFHVURJKSA-N 444.576 2.853 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)c(OC)c1OC 32725016 VZQCDMLIOBGHBY-UHFFFAOYSA-N 437.496 2.512 0 40 IFAB Cc1ccc([C@@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1C 32946548 VXRDFBADUVXBIX-CQSZACIVSA-N 432.571 2.807 0 40 IFAB COc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)cc(=O)oc2c1 33452061 GGKMILVMVLGTAP-UHFFFAOYSA-N 442.537 2.925 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccccc1Cl 38282746 TWVABSBKMWCOOH-INIZCTEOSA-N 441.875 2.932 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1F 38771610 KUBCAVHWQMRMNB-UHFFFAOYSA-N 448.289 2.979 0 40 IFAB COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC 38834987 DXDXFAVYSFHZDI-QGZVFWFLSA-N 426.878 2.523 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2F)C[C@@H](C)O1 40145486 NHGZRTHVBQWCPJ-BETUJISGSA-N 425.482 2.535 0 40 IFAB CC(C)n1cnc2nc(COc3ccc(Cl)cc3NC(=O)[C@@H]3CCCO3)cc(=O)n21 41089778 OZCYRFARSLZLJB-KRWDZBQOSA-N 431.880 2.822 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@@H](C)C4)nccn3c2=O)cc1Cl 49400296 CHZZFDZWRGNKHD-OKILXGFUSA-N 444.923 2.674 0 40 IFAB CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1cccc(Cn2cccnc2=O)c1 58309759 PNZUUTIGQRZGCT-UHFFFAOYSA-N 433.512 2.792 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3cccn3C)CC2)cc1 78877630 RXNBVOBFHITIEX-GOSISDBHSA-N 447.601 2.962 0 40 IFAB CCOc1ccc(-c2nc(CC(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)cs2)cc1 89991208 CWYBOWNMGMQWBH-SFHVURJKSA-N 439.541 2.715 0 40 IFAB COc1cccc(CC(=O)NC[C@@H]2CSCCN2C(=O)Cc2cccc(OC)c2)c1 95458448 YTPFRXUMEMZIOQ-LJQANCHMSA-N 428.554 2.549 0 40 IFAB Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1S(=O)(=O)NCc1ccccc1 95466514 FXRJAIMDHMSBDZ-FPOVZHCZSA-N 427.570 2.640 0 40 IFAB COCCn1cnc2ccc(NC(=O)Cc3c(C)n[nH]c3-c3ccc(OC)cc3)cc2c1=O 95476173 XDYARRFVQVIBBI-UHFFFAOYSA-N 447.495 2.931 0 40 IFAB CC(C)(CNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O 95993645 CAWOMKDUNDXIEY-KGLIPLIRSA-N 426.970 2.934 0 40 IFAB O=C(c1cc(N2CCN(CCOc3ccccc3)CC2)nc2ccccc12)N1CCOCC1 96009738 PEDRTJGHUNPYHN-UHFFFAOYSA-N 446.551 2.908 0 40 IFAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](c2ncn(C(C)C)n2)CN3S(C)(=O)=O)nc1 96062770 YCLMRLGSPOAILW-KRWDZBQOSA-N 440.529 2.726 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 96319866 CQKZVQOCGPLHRK-DLBZAZTESA-N 448.266 2.934 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 102084863 AMXSMFQLGWWOJK-YQNPBZQSSA-N 434.275 2.772 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(C)c2C)cc1 166163544 WHKCNPZIOOHBCN-UHFFFAOYSA-N 443.569 2.531 0 40 IFAB CCn1cc(C(=O)N[C@H](C)C(=O)Nc2ccc(OC)cc2)c(=O)c2cc3c(cc21)OCO3 209085994 DSZOBGKJSDTEHN-CYBMUJFWSA-N 437.452 2.516 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O 220336740 VYQFFHZIKAELTG-MRXNPFEDSA-N 447.557 2.935 0 40 IFAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 225562135 HGJIGRSJVJMTRB-UHFFFAOYSA-N 446.569 2.857 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 257295964 RAPZZGKABZWYFM-GOSISDBHSA-N 439.535 2.901 0 40 IFAB CCOc1ccc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1CO 257337497 YTAKEFLCTOMHRK-GOSISDBHSA-N 436.560 2.824 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408612077 YEWRAGXNKUUEEO-HXUWFJFHSA-N 438.505 2.986 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 408656257 NAJXNSQLBHVQHJ-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 409056271 GNTIBKLIAJVAHC-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)c1ccc(Cl)cc1)CC2 643564881 LJRQXRWDCOXGAG-KRWDZBQOSA-N 449.979 2.774 0 40 IFAB Cc1nc(Cn2nnc(C(=O)N3CC(Cc4cccc(OC(F)(F)F)c4)C3)c2C)no1 1615582686 XEOJINNVUPHXEV-UHFFFAOYSA-N 436.394 2.540 0 40 IFAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1 1888922040 SGEQCGUKACPZBN-MBSDFSHPSA-N 433.516 2.699 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 800579 SUCVJZXXTIMWSK-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB Cc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)s1 1347056 YMDARCOSSOLZOZ-LLVKDONJSA-N 434.465 2.905 0 40 IFAB Cc1c(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 3253653 OSELJWQZVGMSAN-TYZQSYOASA-N 449.463 2.797 0 40 IFAB Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCC(Cc3ccccc3)CC2)cc1 4230363 FCHBZCQCWAGNEP-UHFFFAOYSA-N 425.558 2.868 0 40 IFAB CCC(CC)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 8779719 DAJSMQXOYJOQSN-UHFFFAOYSA-N 436.622 2.988 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(CN2CCCC2=O)c1 9077098 IVUGRODAGTVUSS-UHFFFAOYSA-N 427.526 2.846 0 40 IFAB NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9289557 OBQWTTXBVRNCDO-RUZDIDTESA-N 438.487 2.982 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)N1CCNC1=O 9456278 GULNPTZJJSUGHT-UHFFFAOYSA-N 428.901 2.742 0 40 IFAB C[C@H](C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1C(=O)c2ccccc2C1=O 9561802 WDMUNWBFEAUQQN-LLVKDONJSA-N 437.477 2.591 0 40 IFAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(C(N)=O)cc2)cc1 9671547 MVZWDPNAMUZCKH-QFIPXVFZSA-N 449.532 2.848 0 40 IFAB CCc1nn2c(=O)cc(CSc3nnc([C@H]4COc5ccccc5O4)o3)nc2s1 9726352 WNSWZIJOJZBWJG-CYBMUJFWSA-N 429.483 2.901 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](c1ccccc1)N1CCCCC1 9814244 IWEGLPXBHQWOOO-JOCHJYFZSA-N 443.569 2.873 0 40 IFAB COC(=O)c1ccc(NC(=O)C[S@@](=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 9828759 RCNLIVPZKVIOSK-PMERELPUSA-N 427.482 2.629 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCSc4ccccc43)CC2)cc1 9876588 FTSFLKKWXRPCPZ-UHFFFAOYSA-N 445.610 2.830 0 40 IFAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)c1 10105026 WXCRRBNNYRXRTL-UHFFFAOYSA-N 443.507 2.938 0 40 IFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)c1 10296933 ATJPIKJRFUIOEG-IBGZPJMESA-N 433.428 2.556 0 40 IFAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCS(=O)(=O)C1)oc1ccccc12 10994620 BJLYEQTZCPIQEJ-OLZOCXBDSA-N 431.466 2.900 0 40 IFAB O=C(c1nsc(Cl)c1Cl)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142325 NYCBGZXIZPNKAS-UHFFFAOYSA-N 433.342 2.786 0 40 IFAB COc1ccc(CNC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 12233040 CIENMKHSIXRLOK-KRWDZBQOSA-N 447.520 2.944 0 40 IFAB Cn1nc([C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2)c2cccnc21 12253782 ZYJPQRBUERLZFU-QGZVFWFLSA-N 426.542 2.928 0 40 IFAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 12296481 JQASNYDWCUYKKR-VVASIDCLSA-N 442.556 2.887 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 12466427 SUAOACBKXJPNLK-FYINFDKHSA-N 438.532 2.524 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1NS(C)(=O)=O 12526383 VFAKSKIEKZXDIN-CYBMUJFWSA-N 437.543 2.619 0 40 IFAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12849816 WUZZLGLACSSRCQ-UHFFFAOYSA-N 448.570 2.847 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 12906694 YAQWKDCWEMESDX-UHFFFAOYSA-N 445.629 2.695 0 40 IFAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 13120855 SQQYRHOPRJKUSO-UHFFFAOYSA-N 434.525 3.000 0 40 IFAB COc1cccc(NC(=O)CSc2nnc3nc(O)c(Cc4ccc(C)cc4)nn23)c1 15882061 SJMHXUCNPFTFTN-UHFFFAOYSA-N 436.497 2.864 0 40 IFAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCC1 16012342 MKVIUFCNDICNIX-MSZDEVHKSA-N 429.520 2.982 0 40 IFAB Cc1ccc(SCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 16522514 LUQNASLDWBXIDA-UHFFFAOYSA-N 434.583 2.865 0 40 IFAB COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C2(C)C)c(OC)c1OC 16561829 XVWQXIIPJMVYCA-UHFFFAOYSA-N 427.501 2.908 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(OC)c(OC)cc21 16942987 QWMQBAQEKJPMEA-DQRAZIAOSA-N 430.482 2.879 0 40 IFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502667 HZLVBFKKBZIRBW-PKTZIBPZSA-N 433.552 2.872 0 40 IFAB CCN1C[C@@H](C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccc(C)cc3)C2)CC1=O 19526945 DOKLNKITAUCQBV-VXKWHMMOSA-N 433.552 2.648 0 40 IFAB COc1ccc(OC)c(CN(Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)c1 19551400 DYXCRZGQKBJVEV-OAQYLSRUSA-N 428.533 2.512 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC1)C2=O 19699313 ZQJHCEJYCFBMBR-IBGZPJMESA-N 440.588 2.886 0 40 IFAB CN(Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1)C(=O)c1ccccn1 19700973 SDTFFTBDXQHTGO-MRXNPFEDSA-N 448.502 2.869 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(F)cc1 20244389 SCLOIQCCRADOGR-UHFFFAOYSA-N 427.929 2.841 0 40 IFAB CCCn1c(COC(=O)c2ccc(CO)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 22036592 VTCJXDAWDLFPJR-UHFFFAOYSA-N 431.514 2.546 0 40 IFAB CCCn1c(SCC(=O)N2CCOCC2)nc2ccc(Br)cc2c1=O 24773898 MAIMETUYURUQQT-UHFFFAOYSA-N 426.336 2.520 0 40 IFAB O=C(Cc1csc(-c2ccsc2)n1)N1CCN(c2nnnn2-c2ccccc2)CC1 24777059 MRWNESMZBCAWDZ-UHFFFAOYSA-N 437.554 2.739 0 40 IFAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 25261145 JNZAEQUMORBIFL-DIFFPNOSSA-N 440.472 2.787 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O 31495859 TXDZFLLPGZMCMP-CMJOXMDJSA-N 426.517 2.889 0 40 IFAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)ccc1OC(C)C 33088107 KDABYADPSBIIFH-OAHLLOKOSA-N 433.472 2.888 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(Cc2ccco2)CC(F)(F)F)c1 39972288 YIFIDFCJWHIUOO-UHFFFAOYSA-N 435.376 2.606 0 40 IFAB CCOc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 44900226 AMXPXWYJQNTPKZ-UHFFFAOYSA-N 442.541 2.662 0 40 IFAB COC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)CCCC1 58005062 MTRWSYQBDRDHSB-AWEZNQCLSA-N 442.965 2.976 0 40 IFAB COc1cccc(CNC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)c1 67300631 NFIDFDBJVNHHES-UHFFFAOYSA-N 441.915 2.732 0 40 IFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)Cc1nonc1C 72336990 MBFOZGZKJBBZCZ-IFXJQAMLSA-N 430.468 2.927 0 40 IFAB COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3S(=O)(=O)N(C)C)nc21 72373782 YGRNIOZCTNKYQU-IBGZPJMESA-N 445.589 2.690 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@@H]2CCCO2)CCO1 72389185 UERCIKNBCTVYGK-DHLKQENFSA-N 437.540 2.592 0 40 IFAB C[C@@H](CN1CCCC1=O)NC(=O)c1cccn1-c1cccc(I)c1 84638260 DROJLLLTFAGXDD-ZDUSSCGKSA-N 437.281 2.823 0 40 IFAB CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 95464678 HNKZKVWMIAHUGZ-UHFFFAOYSA-N 444.431 2.821 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1C 97943491 DPTPGGLNGBGXIL-JOCHJYFZSA-N 445.523 2.765 0 40 IFAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)s1 224269482 WAYDHUXWJPCRLC-GFCCVEGCSA-N 445.526 2.788 0 40 IFAB CC(=O)c1cccc(N(CCCC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)c1 224850506 ILHJIEKZPWYIPA-UHFFFAOYSA-N 432.542 2.939 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 225403097 YBAHADXFPMIVKS-OAHLLOKOSA-N 441.915 2.880 0 40 IFAB CCOC(=O)N1CCN(C(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 225805290 ZAYDAGCDLMNHEC-UHFFFAOYSA-N 426.395 2.989 0 40 IFAB S=C(NCCCc1ccccc1)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 225964506 OZPVRCGFHYLQRG-UHFFFAOYSA-N 426.590 2.833 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1cccnc1 408529681 IZLDXLIEKNDCLC-UHFFFAOYSA-N 437.521 2.918 0 40 IFAB CC(C)(C)c1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 408650476 AWYGYHXGFKYDAV-KRWDZBQOSA-N 437.496 2.659 0 40 IFAB CC(C)n1nccc1[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@]12CCCN(Cc1cccnc1)C2=O 585106435 GULBABKHXIPBMX-DVECYGJZSA-N 447.543 2.631 0 40 IFAB CC(C)CC(=O)NC[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccs1)CC3 585110150 PDYCQEHZAMBLHQ-OAHLLOKOSA-N 428.558 2.543 0 40 IFAB Cc1cc(N2CCN(Cc3ccc(Br)cc3)CC2)nc(N2CCOCC2)n1 1889138804 KJRQEXXFCNOVLR-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB COc1cc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O 1643200 BTKOYJYYQNYTMG-IBGZPJMESA-N 426.377 2.693 0 40 IFAB CCOC(=O)Nc1ccc2c(COC(=O)c3nn(C)c(=O)c4ccccc34)cc(=O)oc2c1 8882906 KTFLQMMPAOAEKP-UHFFFAOYSA-N 449.419 2.965 0 40 IFAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1N 9210833 IYYNNEYGIPXJML-UHFFFAOYSA-N 434.887 2.887 0 40 IFAB CNC(=O)c1c(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)sc2c1CCCC2 9435794 JMMKLEMAHPFQNQ-UHFFFAOYSA-N 426.473 2.924 0 40 IFAB COc1ccc(OCc2nnc(SCC(=O)NC(=O)Nc3ccccc3F)n2C)cc1 9545029 WRJJBWUWFMEGMN-UHFFFAOYSA-N 445.476 2.982 0 40 IFAB COc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 9569003 BUZXTQUVXFILKB-UHFFFAOYSA-N 439.472 2.903 0 40 IFAB O=C(c1cnn(-c2ccccc2)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9580915 PAWSRJVISPSJQK-UHFFFAOYSA-N 428.489 2.548 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc3c(C)nn(CC(C)C)c3s2)NC(=O)N[C@H]1C 9690601 QLESZEAAIBTNAP-LBPRGKRZSA-N 434.518 2.738 0 40 IFAB O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849819 KWWRYZRLSKPLMC-UHFFFAOYSA-N 449.902 2.592 0 40 IFAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C)c(N(C)S(C)(=O)=O)c2C)cc1 10233950 DNBRDCXNXHIVDT-UHFFFAOYSA-N 439.559 2.767 0 40 IFAB Cn1c(COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O 11225339 IPJYFAGFGVFLNW-UHFFFAOYSA-N 434.374 2.598 0 40 IFAB Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 11694554 CGZUVFUEYBIUQZ-UHFFFAOYSA-N 427.461 2.596 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998598 PAAQZXWTYPIEKQ-IBGZPJMESA-N 445.541 2.693 0 40 IFAB COCCCN1CCS(=O)(=O)c2c(F)c(F)c(C(=O)Nc3ccccc3)c(F)c21 12323053 QQORGARCJAOBRE-UHFFFAOYSA-N 428.432 2.986 0 40 IFAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 12592936 TXZCRROSTFUWHI-LJQANCHMSA-N 448.266 2.569 0 40 IFAB CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)[C@@H]1CCS(=O)(=O)C1 12633921 YCYNWJPFANYRIM-QAPCUYQASA-N 434.587 2.825 0 40 IFAB CC(C)(C)C(=O)NC1CCN(CC(=O)Nc2cccc(I)c2)CC1 12644474 MOKGMMKBOYFFTA-UHFFFAOYSA-N 443.329 2.856 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCNC(=O)C(C)(C)C 12757458 LGBMLXUKTJURBI-UHFFFAOYSA-N 439.578 2.751 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCN1C(=O)COc2ccccc21 12790252 PCVUSVMKRPRTRL-UHFFFAOYSA-N 431.876 2.561 0 40 IFAB COc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc2c1OCCO2 12796667 NZNCQGUMJHCMEH-VMPITWQZSA-N 430.482 2.559 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 12819513 ABWDCOFQLUMWFU-IBGZPJMESA-N 443.569 2.887 0 40 IFAB COc1ccccc1OCCNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O 12899166 YFTCNDZQGQPLQE-UHFFFAOYSA-N 427.453 2.865 0 40 IFAB biogenic C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 14095893 IGNXETBTWOBDAJ-MYYSRTQBSA-N 435.480 2.766 0 40 IFAB CCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 15176861 PRCFCRYOQLOXRH-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1 15557725 DMUSNAYWQBEUCW-UHFFFAOYSA-N 431.558 2.956 0 40 IFAB O=C(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Nc1ccc(F)c(F)c1F 18049804 DVCXQHMXZPKRNW-UHFFFAOYSA-N 425.432 2.773 0 40 IFAB O=C(CCn1ccnc1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 19337797 HDEGGAAPGLXAMZ-DNVJHFABSA-N 447.514 2.964 0 40 IFAB CN1CCN(C(=O)c2ccc(C3CCN(C(=O)CCc4ccc(F)cc4)CC3)nc2)CC1 19708406 RFVGVPPBBKYZDU-UHFFFAOYSA-N 438.547 2.947 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741607 BUEIYESCAOLEKW-OAQYLSRUSA-N 449.599 2.965 0 40 IFAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)NCCCN1CCOCC1 19938230 SXUMOBNLHAUBPC-DEOSSOPVSA-N 432.524 2.552 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(C)nn(C)c2C)c1 22196923 QPHQOJMWFSEEDG-UHFFFAOYSA-N 444.513 2.733 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1CCCN1CCOCC1 24148130 TVIJWHZJRLPELF-NRFANRHFSA-N 438.455 2.905 0 40 IFAB COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)cc(OC)c1O 31861683 HMMFKXIBIIUASW-PWJBXEHMSA-N 429.469 2.957 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 35292616 SWJUTFJLMLCLLN-HXUWFJFHSA-N 435.977 2.825 0 40 IFAB OCCN1CCN(c2nc(N3CCCCC3)c3cnn(-c4ccc(Cl)cc4)c3n2)CC1 36656938 AFHWPVIQSITAOV-UHFFFAOYSA-N 441.967 2.574 0 40 IFAB O=C(CCCn1c(=O)oc2ccccc21)NCCNC(=O)c1ccc(C(F)(F)F)cc1 40051611 VILLUEPETYQJBI-UHFFFAOYSA-N 435.402 2.940 0 40 IFAB CC(C)C[C@H](CNC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1)N1CCOCC1 58265333 BEFQYKLDDXKGGU-HXUWFJFHSA-N 435.588 2.836 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3nc(C)cc3C)nn2)C1 62164004 UBJGKSGDCQIBOY-QGZVFWFLSA-N 434.500 2.921 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 67300228 ODJBJOLRNOHPJW-UHFFFAOYSA-N 435.480 2.569 0 40 IFAB COc1ccc(C2(CNC(=O)Cn3nc(-c4cccs4)ccc3=O)CCOCC2)cc1 71288943 QXLXQRYPWRJJCT-UHFFFAOYSA-N 439.537 2.845 0 40 IFAB Cc1nc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)sc1C 72326842 ARJIISVEFGDBPB-LRTDBIEQSA-N 427.530 2.651 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)c3ccccc3)CC2)n1 72341537 NMQRIPGREXCNKY-LJQANCHMSA-N 437.544 2.500 0 40 IFAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 95477449 PEDJXBFNHBECRK-QGZVFWFLSA-N 428.899 2.988 0 40 IFAB COC(=O)c1ccc(CN(C)C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 96001709 QJCBRPIGKPCFAQ-QHCPKHFHSA-N 426.469 2.517 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N[C@H]1CCC[C@H]1Cc1ccco1 105363689 AUDRWADRXKYILE-JKBKZWBZSA-N 437.540 2.695 0 40 IFAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136918875 PSWBNFCDLVFUFQ-OWCLPIDISA-N 434.496 2.563 0 40 IFAB biogenic COc1cc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc(OC)c1OC 222587690 ZFPNCWCROKZHSY-UHFFFAOYSA-N 434.514 2.572 0 40 IFAB COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 222954367 MERHQDKFQWHQSF-MRXNPFEDSA-N 434.920 2.907 0 40 IFAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224308817 BIQHDLAVPKCHIL-MRXNPFEDSA-N 436.505 2.573 0 40 IFAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225762143 CDDPAVRYHPVDRR-UHFFFAOYSA-N 439.472 2.758 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 225964861 IEURONLWIWBRDD-UHFFFAOYSA-N 429.542 2.890 0 40 IFAB Cc1nonc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257279682 OHSOCDREDDCUFM-GOSISDBHSA-N 431.880 2.600 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1C 409058768 LBXWCIBXCGYGRT-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB O=C(CCc1cncnc1)N1Cc2ncn(CC3CC3)c2[C@H](COCc2cccnc2)C1 585110880 SLUPSOACKNBJGF-NRFANRHFSA-N 432.528 2.754 0 40 IFAB CCCN1CCN(C(=O)Cn2cccnc2=O)[C@H](Cc2ccccc2-c2ccccc2)C1=O 585169047 XDSOIZFJJAOJOY-HSZRJFAPSA-N 444.535 2.602 0 40 IFAB CN(C(=O)CCn1ccnc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 585262195 ZSOXPKHHKJEZBS-JAOKQIQISA-N 441.572 2.729 0 40 IFAB COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418866 NYUGNJKDTGKJLC-OAHLLOKOSA-N 431.876 2.882 0 40 IFAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NS(=O)(=O)c2cccnc2)C1 2332241428 IMOMKBVCHYEFBH-DFQSSKMNSA-N 441.557 2.897 0 40 IFAB CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 901004 IVAAOQSUXXOLPY-UHFFFAOYSA-N 438.575 2.872 0 40 IFAB Nc1nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c(=O)c1NC(=O)c1ccco1 2712543 XRBXMDYOMZVSAR-UHFFFAOYSA-N 442.482 2.538 0 40 IFAB Cc1c(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C 3277460 WEVZYOPCADSQFO-UHFFFAOYSA-N 440.525 2.521 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1OC 4583298 NKGQAASZVIXUKV-UHFFFAOYSA-N 425.533 2.837 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)cc1 6143057 QZOSMYUESUBGRT-JLHYYAGUSA-N 449.532 2.984 0 40 IFAB COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C 6444375 HTCYBZKMBYCCBY-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1C(F)(F)F 8735859 RCUMVTJCFJPNDD-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(=O)O)cc1 9382901 YZULXXVHNXCPCQ-UHFFFAOYSA-N 428.495 2.877 0 40 IFAB C[C@H](c1nnc(SCC(=O)N2CCNC2=O)n1-c1ccc(F)cc1)N1CCCCC1 9469447 DCGKGNHQOVJJCX-CQSZACIVSA-N 432.525 2.597 0 40 IFAB CN(C(=O)c1cc(C2CC2)nc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9495113 SUDNXOXUZATSRJ-UHFFFAOYSA-N 441.491 2.869 0 40 IFAB Cc1c(C)n2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1F 10271905 HKUVFIPASNFZDU-UHFFFAOYSA-N 445.454 2.777 0 40 IFAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029630 WXJBNCXJSWSMJE-FQEVSTJZSA-N 435.567 2.698 0 40 IFAB COc1ccc(C[C@@H](C)NS(=O)(=O)c2cc3c4c(c2)c(C)cc(=O)n4CC3)cc1OC 12444917 GYLOXQCAFZBLLX-OAHLLOKOSA-N 442.537 2.793 0 40 IFAB CCOc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCC(=O)N1CCCCC1 12520566 SFGIOOYSTWYZJN-QFIPXVFZSA-N 448.527 2.923 0 40 IFAB O=C(CSc1nnc2n1CCCCC2)Nc1cc2[nH]c(=O)[nH]c2cc1Br 12677119 OCGWGPCTLWBEPD-UHFFFAOYSA-N 437.323 2.667 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1C[C@H](C)O[C@H](C)C1 12748929 SOVQHDRHFCLJBW-IYBDPMFKSA-N 430.526 2.696 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(F)c2)CCC1 12796804 GNUITDSDSAISIU-UHFFFAOYSA-N 448.516 2.916 0 40 IFAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 12978852 ONOTXUGNVIMPSI-INIZCTEOSA-N 434.876 2.508 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NC4CCCC4)[C@@H]5C3=O)nc2c1 15905446 IYFIFVRJEYGKAR-UVLLPENVSA-N 425.510 2.650 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 16124637 UQSYLMWBCUBHMH-UHFFFAOYSA-N 428.532 2.535 0 40 IFAB NC(=O)CCN(C(=O)COC(=O)c1ccc(Br)s1)c1ccc(F)cc1 16810966 AYDMTQZPMBLOCY-UHFFFAOYSA-N 429.267 2.715 0 40 IFAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 17635770 AMDKNBOBUZRZSN-MRXNPFEDSA-N 429.473 2.604 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503001 PLKRCIYTZBOURS-QFIPXVFZSA-N 444.535 2.990 0 40 IFAB CN(C)c1ncccc1CN1CCO[C@@H](c2c(C(=O)NCCO)sc3ccccc23)C1 19697553 WZVCYHDYDUGTAX-GOSISDBHSA-N 440.569 2.658 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1c(C(C)C)noc1C)C2 19708803 HEMMNZACVNIZGI-INIZCTEOSA-N 440.548 2.863 0 40 IFAB O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCNc3ccccn3)cc21)c1ccccc1 19748436 HJRYNLATGDYDPL-NRFANRHFSA-N 436.537 2.889 0 40 IFAB COc1ccc2nc(C)c(C(=O)N3CCC(Cc4nc(C)ncc4C(N)=O)CC3)cc2c1 19757240 ISEYSXXWZPWCHA-UHFFFAOYSA-N 433.512 2.844 0 40 IFAB Cn1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 19762574 ODHXNXXMERLTEY-LJQANCHMSA-N 448.508 2.891 0 40 IFAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N3CCC(C)CC3)c2)no1 20024961 LFHULOGXHNWTIQ-HNNXBMFYSA-N 435.502 2.588 0 40 IFAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@@H](C)CC(C)C[C@@H]3C)=C2)cc1OC 20569401 NQGKQBKWXLNWJL-GJZGRUSLSA-N 435.546 2.603 0 40 IFAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)n(C)n1 22768235 BEOGELLSGLIMNI-UHFFFAOYSA-N 435.500 2.986 0 40 IFAB O=C(NCCC(=O)N1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1 23080121 WSPVAEHVFZAPFY-UHFFFAOYSA-N 432.318 2.623 0 40 IFAB Nc1cccc2c1C(=O)N(CN1CCN(c3ncc(C(F)(F)F)cc3Cl)CC1)C2=O 23990252 BLUYVDSPJQVADP-UHFFFAOYSA-N 439.825 2.712 0 40 IFAB COC(=O)/C=C/c1ccc(OC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 30976889 VRFZTXANHINWLK-DHZHZOJOSA-N 447.509 2.724 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1ccco1 31034023 QNYQEOQKUVLJDY-FQEVSTJZSA-N 435.480 2.635 0 40 IFAB COCCCNC(=O)c1nc(-c2ccccc2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616417 UUWXWLBWIYUXHO-KRWDZBQOSA-N 442.541 2.533 0 40 IFAB CC(C)[C@@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 32825564 UVDSHMDKLUTVHW-MRXNPFEDSA-N 427.998 2.682 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(F)c(C)c3)n2N)c(OC)c1 32904947 DYONEMHHKPHXAG-UHFFFAOYSA-N 431.493 2.532 0 40 IFAB O=C(Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)N1CCN(c2ccccc2F)CC1 33300961 CHWVBFCYKHBCKR-UHFFFAOYSA-N 449.530 2.875 0 40 IFAB O=C(COc1ccc(I)cc1)NC[C@@H]1COc2ccccc2O1 39448441 AYAOHPREHWQKBJ-CQSZACIVSA-N 425.222 2.626 0 40 IFAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 40121296 BACVVMRGDHHJHW-ICSRJNTNSA-N 429.561 2.701 0 40 IFAB C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 49611712 JRXFJNAEAZEJBZ-QGZVFWFLSA-N 439.512 2.792 0 40 IFAB Cc1nc2nc([C@@H]3CCCN(C(=O)c4cccnc4N)C3)cc(C(F)(F)F)c2c(=O)[nH]1 72350873 ULIYAFATADCYPI-LLVKDONJSA-N 432.406 2.642 0 40 IFAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 95350726 LFLSYUKXQBIIMB-AWEZNQCLSA-N 439.990 2.686 0 40 IFAB CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)N3CCC[C@H](CCC(=O)O)C3)o2)cc1 95992027 WHIQTJLIMQVKBG-OAHLLOKOSA-N 434.514 2.781 0 40 IFAB C[C@H](CNc1nc(NC[C@@H](C)N2CCOCC2)c2cc(Cl)ccc2n1)N1CCOCC1 96011507 QEOBSEGABWBLTI-IAGOWNOFSA-N 448.999 2.548 0 40 IFAB CS(=O)(=O)n1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2CC1CC1 96037404 CFUMLUVYWKACTB-UHFFFAOYSA-N 428.558 2.639 0 40 IFAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96104126 JURANZVVKVKZMI-UHFFFAOYSA-N 439.493 2.884 0 40 IFAB O=C(O)c1cnc2cc(I)n(S(=O)(=O)c3ccccc3)c2c1 96321337 BQJRUCINODAZNZ-UHFFFAOYSA-N 428.207 2.576 0 40 IFAB O=C1C[C@@H](N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1Cc1ccccc1 102616553 SENLKCNRBXNDDM-GOSISDBHSA-N 432.446 2.940 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 103198196 LFFNCRXJJOZIAT-YHURMRGJSA-N 440.503 2.770 0 40 IFAB Cc1cc(O[C@@H](C)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c(C)cc(=O)oc2c1 137970202 NIYUNFSVJZLKDB-OKZBNKHCSA-N 434.492 2.985 0 40 IFAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 205707707 DWVPLEDRVHZSIF-WUXMJOGZSA-N 444.259 2.512 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223651463 DBFVUXLKLJSOLT-IBGZPJMESA-N 445.585 2.623 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(N2CCCC2=O)c1 225807610 NASJOLSVUQXHSZ-UHFFFAOYSA-N 445.541 2.644 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)COc3ccccc3)s2)cc1 225857492 KQOJSALJUVLYSG-AWEZNQCLSA-N 432.527 2.845 0 40 IFAB CCCCCC(=O)N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514289630 XGOSVVBEUXEVHR-IRFCIJBXSA-N 443.510 2.652 0 40 IFAB biogenic,in-vitro CN1c2ccc(F)cc2N(CCNC(=O)c2ccccc2Br)S1(=O)=O 575612132 KXIUQXKVTUIOFS-UHFFFAOYSA-N 428.283 2.519 0 40 IFAB O=C(Cn1nnc2ccccc21)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147564 WCZNOFYYPULSJR-UHFFFAOYSA-N 428.496 2.594 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(Cc3ccccc3)CC2)[C@@H](O)C1 585283160 CRTLZTSNBQNTKV-BDYUSTAISA-N 436.596 2.898 0 40 IFAB COc1ccc(-c2cc3ccc(OCC(=O)N[C@@H](CO)C(C)C)cc3oc2=O)cc1OC 606440395 HYJCSPUUESRMDC-IBGZPJMESA-N 441.480 2.989 0 40 IFAB biogenic O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@@H](Oc2ccncc2Br)C1 1775972880 ZYMIFHYDAJATLM-QGZVFWFLSA-N 432.318 2.974 0 40 IFAB CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2cccc3ccccc23)cc1 675552 MLMUTNMCWJELDI-UHFFFAOYSA-N 441.534 2.720 0 40 IFAB Cc1c(CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c(=O)oc2c(C)c(O)ccc12 2098577 TYXJXETWIBYAQJ-SFHVURJKSA-N 425.437 2.566 0 40 IFAB biogenic CCOc1ccc(CCNC(=O)c2c(N)n(N)c3nc4ccccc4nc23)cc1OCC 2255286 BETNCTNANUDMQK-UHFFFAOYSA-N 434.500 2.650 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1 3242130 GWBYQPRASHRMFP-UHFFFAOYSA-N 425.532 2.532 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3296100 DQHCVHZAHMHTHP-UHFFFAOYSA-N 442.493 2.537 0 40 IFAB CCN(CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCCCOC 6193350 JDOYGELDPFTDAH-UHFFFAOYSA-N 434.606 2.592 0 40 IFAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)cc2)C1=O 8887283 XGKZQJNTXVMVRA-DEOSSOPVSA-N 448.454 2.501 0 40 IFAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2 9103902 CJQLINDQZHBEMD-ZIAGYGMSSA-N 429.498 2.839 0 40 IFAB O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9134084 ZLSZFBOHRMTNPK-QGZVFWFLSA-N 427.526 2.853 0 40 IFAB CC(C)(C)NC(=O)CSc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1 9226846 ZZOHZFHNFULNKV-UHFFFAOYSA-N 437.572 2.560 0 40 IFAB CCOC(=O)C1CCN(C(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 9721109 CTLDYLQLYMGZQT-UHFFFAOYSA-N 435.952 2.571 0 40 IFAB Cc1ccc(NC(SCC(=O)N2CCCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974160 DKGYYIRTFPEGJR-UHFFFAOYSA-N 444.557 2.805 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)C2=O 10055889 JQGWVFJSSOMKID-UHFFFAOYSA-N 441.406 2.688 0 40 IFAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(COc2ccc(F)cc2)o1 11195232 CBVKOVRHMIDNON-UHFFFAOYSA-N 435.458 2.725 0 40 IFAB Cn1ncc2c(SCC(=O)Nc3cccc(I)c3)ncnc21 11677490 OLHKCVLZOHQZKD-UHFFFAOYSA-N 425.255 2.699 0 40 IFAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)Cc2ccsc2)CC1 12133081 ZNHDXGKDACITRJ-UHFFFAOYSA-N 442.566 2.952 0 40 IFAB COCCCN1C[C@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12221130 AFSNSSHKWFCRGN-XLIONFOSSA-N 437.544 2.553 0 40 IFAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)c1cccc(OC)c1)C(F)(F)F 12402662 OWDOWTDNSPOXBE-FQEVSTJZSA-N 440.418 2.958 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3F)nc2)CC1 12528621 GBKVLUUTKNJJLN-UHFFFAOYSA-N 430.299 2.712 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)c(OC)c1 12541319 VKBQKCBCSDOYMV-UHFFFAOYSA-N 425.489 2.510 0 40 IFAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 12626894 MMRKUZOIWWJKLO-UHFFFAOYSA-N 442.459 2.797 0 40 IFAB CC(C)C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12765732 ZCHUQDGMAGXSQB-WNRNVDISSA-N 444.532 2.700 0 40 IFAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCN1C(=O)c2ccccc2C1=O 13004889 BJEITZOGNLALLM-SFHVURJKSA-N 426.494 2.643 0 40 IFAB Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc(C)c1Cl 13073463 MNHLNFLBUADGLE-UHFFFAOYSA-N 435.977 2.974 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@@H](C)Cc3ccco3)cc1O2 13691017 NDFPPZJFOJMVMV-INIZCTEOSA-N 440.496 2.752 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl 13943490 UATNFYWCUVHEEM-NSHDSACASA-N 426.878 2.773 0 40 IFAB COc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)cc1OC 14196733 PUYBFVLYMUNEAZ-SFHVURJKSA-N 443.569 2.714 0 40 IFAB COc1ccc(C(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c2ccc(OC)cc2)cc1 14197306 AQDVWZPNVMAVAN-XMMPIXPASA-N 437.496 2.630 0 40 IFAB Cc1cccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)c1 15883658 MLMSKYLXIKBSPM-UHFFFAOYSA-N 426.542 2.870 0 40 IFAB Cc1nn(C[C@@H](C)C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c(C)c1Br 17096285 KWAFYYMDIKJKKI-RCNPXXIZSA-N 429.212 2.706 0 40 IFAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1 19347656 DMMYJTYUUPOZKW-INIZCTEOSA-N 438.503 2.614 0 40 IFAB CC(C)N1C[C@H](C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O 19447674 XTBDWYZUSFCUQW-QGZVFWFLSA-N 441.551 2.564 0 40 IFAB CC1CCN(c2nc([C@@H](C)NC(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)cc(=O)[nH]2)CC1 19497011 RQXSZBJPPQJGGQ-CQSZACIVSA-N 439.516 2.607 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1nccc3ccccc13)C2 19708870 LJFJCGKKQGBLTM-GOSISDBHSA-N 444.539 2.991 0 40 IFAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O 19824495 YXAKAZNBALTFSA-UHFFFAOYSA-N 446.617 2.736 0 40 IFAB Cc1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1 19939359 IKHBFGPCHZKKAR-UHFFFAOYSA-N 430.512 2.526 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cc1 24764480 VURUVZLYRQXVGR-UHFFFAOYSA-N 426.535 2.528 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1n[nH]c(=O)c2ccccc12 25605401 FRQITHLBRRIKLX-UHFFFAOYSA-N 442.431 2.834 0 40 IFAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(C[C@H]2CCCO2)CC1 25609040 IQSFLOFZQRIWFZ-JOCHJYFZSA-N 431.540 2.930 0 40 IFAB Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)cc1 32765623 HFJYGJAUOBKYRV-UHFFFAOYSA-N 444.494 2.773 0 40 IFAB CCOC(=O)CN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 32915658 XSGNOFYPAOCKNF-UHFFFAOYSA-N 444.981 2.788 0 40 IFAB CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCOCC4)cc(Br)c1c23 35686196 OTBNHZXSCSQAGL-UHFFFAOYSA-N 425.304 2.603 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38834564 KQDWDDYBALZEOJ-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB CN1CCN(CCc2ccc(NC(=O)CCC(=O)N3CCc4sccc4C3)cc2)CC1 69950301 XPAPMYCPDKOWEV-UHFFFAOYSA-N 440.613 2.842 0 40 IFAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCCCn1cncc1C 89643151 FCZCBUZDLRQENK-UHFFFAOYSA-N 426.542 2.799 0 40 IFAB Cc1cc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n([C@H]2CCS(=O)(=O)C2)n1 95350297 LVYUUNDQJAITQM-IRXDYDNUSA-N 446.529 2.691 0 40 IFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nnc(SCc2ccc(F)cc2)s1 95947973 JZAUDPRTPXJYRR-ZIAGYGMSSA-N 432.502 2.859 0 40 IFAB O=C1C[C@H](N(O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C(=O)N1c1ccc(Cl)cc1 96786945 NLJPYVXYHVMUHZ-IYBDPMFKSA-N 448.262 2.649 0 40 IFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4cc(C)ccc4N2[C@H]3C(C)=O)cc1 103458470 QFOXYBRIWZFRPC-LDVJMBRRSA-N 430.460 2.899 0 40 IFAB C[C@@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 105631006 KMHFOMIMTGFSRX-OSFYFWSMSA-N 428.938 2.897 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220172828 JZOXLNYHKUSYLN-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 222883180 HONOIGQPBJYSJI-UHFFFAOYSA-N 448.932 2.776 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc(C)c(C(=O)N(C)C)s3)c(Cl)cc21 223367588 NFBVIPFRPWKCDI-UHFFFAOYSA-N 444.922 2.535 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223954169 AOALARMCMQBSFH-SFHVURJKSA-N 434.558 2.970 0 40 IFAB COc1ccc(/C=C/C(=O)NCc2cccc(CN3CCOCC3)c2)c(OC)c1OC 224707823 DALKYPLCSAOPPG-CSKARUKUSA-N 426.513 2.874 0 40 IFAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 225040300 HQXXALYWDGUFJU-UHFFFAOYSA-N 437.949 2.845 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 225255485 QRWDJSQPRVPKFT-SFHVURJKSA-N 444.553 2.985 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)CN2S(C)(=O)=O 225454274 RWTKMJKRFCUWSM-CQSZACIVSA-N 442.588 2.760 0 40 IFAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543517 OKCJCFNHACDFDW-UHFFFAOYSA-N 436.447 2.778 0 40 IFAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc21 225684748 SHMUPFBRYWSHSY-UHFFFAOYSA-N 436.902 2.782 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225885633 PPYQOXMHULUURP-GOSISDBHSA-N 448.932 2.981 0 40 IFAB CCn1nc(C(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)cc1C 257202896 ANVRMTJLHCLKEQ-CQOQZXRMSA-N 426.561 2.661 0 40 IFAB CCc1nnsc1C(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O 257270802 MVSOBDSSBVBATN-CNNODRBYSA-N 430.574 2.550 0 40 IFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1c(C)oc3c1CCCC3)CC2 257337442 YSTXLIFLIJUJNP-MRXNPFEDSA-N 437.544 2.833 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 260796019 OHZACQQGJXNTKH-LLVKDONJSA-N 430.577 2.840 0 40 IFAB O=C(NC[C@H]1CCCO1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 408714833 PTJJUCJNPWPYFF-BEFAXECRSA-N 436.917 2.592 0 40 IFAB CCN1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 409393444 WQKUISFZTCDQJA-UHFFFAOYSA-N 445.585 2.671 0 40 IFAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nncn3C(C)C)C2)cc1 540480510 QSUQNVGXXALGJW-SFHVURJKSA-N 433.578 2.909 0 40 IFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 575425986 JZXDTSLVMQMDPI-AWEZNQCLSA-N 427.887 2.544 0 40 IFAB COC1CCN([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585262415 VCIKKSUFAMNINP-LUKWVAJMSA-N 428.504 2.616 0 40 IFAB Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4cccc(F)c4)CC3)C2)c1 585287789 RRDJYNSNVNHARE-VWLOTQADSA-N 444.547 2.608 0 40 IFAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CS2 1888864008 UAXWFDVYXOMLLP-GFCCVEGCSA-N 440.447 2.601 0 40 IFAB Cn1cccc(C(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)c1=O 1891418848 LJPQVRYRDXYMHO-UHFFFAOYSA-N 426.480 2.805 0 40 IFAB CCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O 2445246 LNISKEMQKNHOST-SQJMNOBHSA-N 432.524 2.803 0 40 IFAB CCCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433742 AEPIGDKPAFIDAY-UHFFFAOYSA-N 430.526 2.507 0 40 IFAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 3522793 FJCIGRJQTHTZKQ-ZDUSSCGKSA-N 428.489 2.910 0 40 IFAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 4897647 PVBNCDMEHLEILV-NRFANRHFSA-N 426.492 2.686 0 40 IFAB COc1cccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(C(=O)C4CC4)CC3)c2Cl)c1 8755379 LGKVFWWHADSJJL-CMDGGOBGSA-N 442.947 2.996 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 8825385 CTTJSJVHHHBKPP-UHFFFAOYSA-N 431.876 2.990 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 9005326 IDMWGOQJSGXIJY-HXUWFJFHSA-N 434.514 2.855 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-n3cncn3)cc2)cc1 9465060 GDEFMGPVJBGQLO-MRXNPFEDSA-N 427.530 2.789 0 40 IFAB CCNC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 9634545 NCGMAACMXRFWRD-UHFFFAOYSA-N 445.324 2.765 0 40 IFAB CCc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc12 9713277 XTIKTYJIBBOMPS-UHFFFAOYSA-N 443.507 2.750 0 40 IFAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(C(=O)c2ccco2)CC1 9726538 LAIXSIIEEYVOLU-UHFFFAOYSA-N 437.525 2.814 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9731262 KKSNLHPBPRDMKH-UHFFFAOYSA-N 438.509 2.846 0 40 IFAB COc1ccc(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc2-c2ccncc2)cc1 9925103 WYYIBOJKSWASEU-MRXNPFEDSA-N 426.502 2.650 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 11762192 RBIWIXMLUHNXTM-UHFFFAOYSA-N 447.421 2.957 0 40 IFAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)CN4CCCC4)CC3)C1)c1cccn1-2 12086229 JDHQRBHBBMURNM-RUZDIDTESA-N 436.556 2.984 0 40 IFAB CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 12163015 KDIZNYQYEANHKF-RDGATRHJSA-N 440.588 2.719 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@@H]1c1cccs1 12719329 OXWCWLJEUOEOBW-GOSISDBHSA-N 443.481 2.735 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 12741237 OCSXYIGPZHQTBF-XHDPSFHLSA-N 433.313 2.694 0 40 IFAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12770395 JKSCVIWFFKYLLD-RHSMWYFYSA-N 426.498 2.843 0 40 IFAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc2ccccc2c(=O)[nH]1 12796754 JJYYOPLFGPVAIG-KRWDZBQOSA-N 438.509 2.764 0 40 IFAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H]1CCS(=O)(=O)C1 12847412 AJRMNFKVAOTOAJ-ZBFHGGJFSA-N 432.542 2.628 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(C(F)(F)F)cc1 12906442 IFOMPNXBKQLKQX-UHFFFAOYSA-N 434.461 2.718 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 13055879 HNYQTJZAQYOGKN-UHFFFAOYSA-N 439.537 2.868 0 40 IFAB CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S 13072168 REVFEVZTWAOZRN-UHFFFAOYSA-N 433.559 2.658 0 40 IFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 16694320 OQTBHGMIQNYGTD-UHFFFAOYSA-N 429.546 2.809 0 40 IFAB C[C@H]1Cc2cc([C@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497854 FJAINDJNBOOAJE-KSFYIVLOSA-N 448.560 2.553 0 40 IFAB CCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527457 CXOUSVXKMCQSRP-IFMALSPDSA-N 437.515 2.621 0 40 IFAB CCn1cc(NC(=S)Nc2sc(C)c(C)c2C(=O)OC)c(C(=O)NCCOC)n1 19630231 GKFHXWBHIKSQAY-UHFFFAOYSA-N 439.563 2.553 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)C4CCCC4)CC3)nc2n(C)c1=O 19744825 ASTPJJRMALCBIC-UHFFFAOYSA-N 438.450 2.547 0 40 IFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)c3cccnc3)CC2)n1 19754879 DXZPTVDIDKGKBB-UHFFFAOYSA-N 435.503 2.979 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(c2ccccc2F)CC1 19930673 OEVQHKKCWLRRRN-UHFFFAOYSA-N 431.533 2.548 0 40 IFAB O=C(NCCc1csc(-c2ccncc2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 19942523 TZOJUXBCALPAEW-UHFFFAOYSA-N 442.566 2.962 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 20457777 FIECWOSTPHSJTI-UHFFFAOYSA-N 440.543 2.679 0 40 IFAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCOCC1)CO[C@](C)(CC)C3 20646755 JTFZVPKNHFHFAA-JOCHJYFZSA-N 447.557 2.985 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 23675352 CSTXYDUYGWCQKI-NKTGRTDOSA-N 429.517 2.772 0 40 IFAB O=C(CSc1nnc(NCc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O 23844955 QTEUWHCJUYKQHY-UHFFFAOYSA-N 446.558 2.528 0 40 IFAB Cc1cn2c(CC(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)csc2n1 24979026 WHSYEIJYTARUDV-UHFFFAOYSA-N 432.449 2.726 0 40 IFAB O=C(NCCOc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 26906719 XWPMJWGMNWKZCL-AWEZNQCLSA-N 428.963 2.997 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 31815238 MMCQWVLEAZAZPW-DOTOQJQBSA-N 425.558 2.806 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)sc2c1 32093287 LBZHOCLWOJOTHA-CYBMUJFWSA-N 447.513 2.826 0 40 IFAB CCc1nn2c(=O)cc(CN[C@@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)nc2s1 32759431 KLPPGVVYCOPAKI-AWEZNQCLSA-N 449.602 2.595 0 40 IFAB Cc1cc(=O)c(C(=O)NCc2nnc3n2CCCCC3)nn1-c1ccccc1C(F)(F)F 32841623 LZOMHCOJUURAJV-UHFFFAOYSA-N 446.433 2.808 0 40 IFAB CCN1CCN([C@H](c2cc(OC)c(OC)c(OC)c2)c2nnnn2C(C)(C)CC)CC1 35290691 SUUHOQILMRJCAV-LJQANCHMSA-N 432.569 2.571 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3cnn(C)c3n2)cc1 36613415 VCNNNBAYBOPPQF-UHFFFAOYSA-N 442.523 2.997 0 40 IFAB O=C(NCCN1CCN(C(=O)CSc2nc3ccccc3o2)CC1)c1cccs1 38680579 IPMJVUDCEKFAKW-UHFFFAOYSA-N 430.555 2.556 0 40 IFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 39569174 WCHONVKSZYGTQD-CQSZACIVSA-N 428.510 2.837 0 40 IFAB O=C(NCc1ccc(-n2cccn2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 40105159 XZVBOEIIIGIFFR-SFHVURJKSA-N 442.516 2.729 0 40 IFAB COCc1nn2c(nnc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40392210 RYXQOLOTIRAROR-SFHVURJKSA-N 425.420 2.673 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cc1C 44857288 FALYPKONRKTUPH-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB COc1ccc(CCC(=O)OCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1O 62580977 HUAQLXXAIGCCNJ-UHFFFAOYSA-N 428.485 2.901 0 40 IFAB COc1cc(NC(=O)CSc2ncnc3nc(N(C)C)sc23)cc(OC)c1OC 64944005 PPYNYJWZYSJTKR-UHFFFAOYSA-N 435.531 2.909 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN3CCc4ccccc43)C2)cc1 65054051 KCEGIDXPSKFSAP-NRFANRHFSA-N 441.597 2.965 0 40 IFAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 71279794 FZRIUXRLGKDXKO-ZIAGYGMSSA-N 435.502 2.701 0 40 IFAB Cc1ccc2nc(NC(=O)CN3CCC(c4nn(C)c(=O)n4C4CC4)CC3)sc2c1 77154405 PGHSYLUVSVNHMK-UHFFFAOYSA-N 426.546 2.653 0 40 IFAB Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)n1 79062664 GTWSGWSKGIGBTE-INIZCTEOSA-N 433.555 2.932 0 40 IFAB CCCC[C@H](NC(=O)NCC)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 89950148 DPGNDMUJCWSGSK-SFHVURJKSA-N 431.533 2.757 0 40 IFAB CC(=O)N1CCN(Cc2ccc(NC(=O)[C@H](CC(C)C)N3CCCCC3=O)cc2)CC1 95991544 SZAQIBOXWJVZBI-QFIPXVFZSA-N 428.577 2.716 0 40 IFAB CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(C(=O)Nc1cccc(Cl)c1)CC2 96143569 OAFMUWWWKZYUPP-ZWKOTPCHSA-N 440.935 2.721 0 40 IFAB Cc1cc(C)cc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)c1 96243768 JHEVDUICCZUGAL-YADHBBJMSA-N 438.572 2.685 0 40 IFAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CCCC5)CC4)c3CO2)cc1 97943693 GRXMXIMFSHAMDI-NRFANRHFSA-N 437.544 2.769 0 40 IFAB Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1C 97996358 PSEVMTFCJDAQPW-CPNJWEJPSA-N 437.521 2.886 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCN(Cc5cccnc5)C4)nn3c(O)c2C1 100233692 UGAWOPFOBLDYJK-GOSISDBHSA-N 434.544 2.750 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3[C@H]4CO[C@@H](O4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1OC 106092946 NOZZTXUAPWQXFG-VXVQYKCKSA-N 433.460 2.727 0 40 IFAB biogenic,in-vitro O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)c1ccc(OC(F)(F)F)cc1 206638465 SYKNEBBDMKKFET-UHFFFAOYSA-N 433.390 2.770 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1OC 224904792 IIYQOOMIEFQBRB-UHFFFAOYSA-N 433.530 2.709 0 40 IFAB C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCCN3CCOCC3)n2)C1 225905636 HJLCFCUXKDIKCU-KBPBESRZSA-N 446.543 2.596 0 40 IFAB COc1cccc(OCCc2cc([C@@H]3CN(C(=O)c4cnc(C)nc4C)CCO3)n[nH]2)c1 257205639 AZZHAZCOIFMBEQ-QFIPXVFZSA-N 437.500 2.660 0 40 IFAB Cc1nonc1C(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 257300097 RSXHZGWSYNZAET-GOSISDBHSA-N 446.511 2.628 0 40 IFAB COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 260828808 DHNBWHVUVKYZBA-MRXNPFEDSA-N 448.541 2.890 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1c(F)cccc1F 408608663 RTNYOCFNGULIMJ-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCCn1ccnc1 604404137 KCDUCFRQSKWOOA-HSZRJFAPSA-N 443.507 2.985 0 40 IFAB biogenic O=S(=O)(Cc1cc(F)ccc1F)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440760 BIQSFENRYDBWEP-ZDUSSCGKSA-N 434.262 2.500 0 40 IFAB C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1ncc(-c2ccccc2)o1 1629645276 VQQJZNRACJFURO-QKYXUNIQSA-N 437.471 2.862 0 40 IFAB Cc1ncn(CC(=O)N2CCC(CN(C)c3cc(C(F)(F)F)ccn3)CC2)c(=O)c1C 1888857224 MRARSGKRLKVQGX-UHFFFAOYSA-N 437.466 2.649 0 40 IFAB CC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NC1CCCC1 3841067 JIUCNELOXZRWRN-MVAUCRKUSA-N 449.617 2.966 0 40 IFAB biogenic,in-vitro CCn1c(SCC(=O)C(C)(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 4405113 VSUJFOBLYVAQSB-UHFFFAOYSA-N 425.576 2.784 0 40 IFAB O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCc2ccccc2C1 4791715 QPHITXJAPDFWAX-UHFFFAOYSA-N 442.313 2.817 0 40 IFAB COc1cccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)C)cc32)c1 4965820 AKKNXBGYKBUDCB-UHFFFAOYSA-N 425.485 2.976 0 40 IFAB Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c(C)n1Cc1ccccc1 8882605 YHBYLLOMSDSGAB-UHFFFAOYSA-N 440.521 2.858 0 40 IFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 9263926 FZXGCMKOGISZSX-UHFFFAOYSA-N 443.573 2.998 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)[C@H](c3ccco3)C2)cc1 9453839 PYYXPPVCAWMTRU-FDDCHVKYSA-N 436.468 2.686 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 9469163 MDTAGOKDKFRBCR-UHFFFAOYSA-N 444.557 2.942 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)c(F)c1 9504562 HZYRMOYAPAIOCW-UHFFFAOYSA-N 443.903 2.733 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 9549113 NTJAXGRJTNTVFX-INIZCTEOSA-N 427.464 2.921 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1 9615277 OAWAZQWPBQPRGZ-UHFFFAOYSA-N 434.848 2.560 0 40 IFAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1 9616104 WYWOEKNVHDORMZ-UHFFFAOYSA-N 431.448 2.808 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCCC2)cc1OC 9622092 ZTSHRJWHRYGJAK-UHFFFAOYSA-N 429.517 2.889 0 40 IFAB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)NC(=O)NC1CCCCC1 9634217 WJBAUSQJKNXZKF-UHFFFAOYSA-N 448.479 2.701 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9836867 GNPDIEKQEPJICZ-HXUWFJFHSA-N 442.604 2.965 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(N2CCCC2=O)c1 9949318 QGEMHWHHGFXMSY-UHFFFAOYSA-N 438.513 2.919 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N[C@H](c1ccc(F)cc1)c1cccs1 10026073 RUOSRPGWBDGAQN-LJQANCHMSA-N 429.498 2.832 0 40 IFAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCN(c2cnccn2)CC1 11546193 TWRQFOSFZIMBCF-UHFFFAOYSA-N 428.496 2.754 0 40 IFAB CC1CCN(c2nnc(S[C@@H](C)C(=O)NC(=O)NC(C)C)n2Cc2ccco2)CC1 11780406 CDGUWOYPXANRRP-HNNXBMFYSA-N 434.566 2.871 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1cc2ccccc2o1 12071627 XKEQGGSBKSEZJG-UHFFFAOYSA-N 431.427 2.957 0 40 IFAB COc1cccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1OC 12219524 CRINLJYVKLZJOJ-GOSISDBHSA-N 437.544 2.964 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCCCC1 12554633 BYDDFSGUCGCCTB-QGZVFWFLSA-N 430.574 2.783 0 40 IFAB O=C(Nc1ccccc1Br)c1cccc(S(=O)(=O)N2CCOCC2)c1 12600332 LVWWRTCKQUUUCO-UHFFFAOYSA-N 425.304 2.722 0 40 IFAB O=C(CNc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12635863 NVMLUHFAOLKDLQ-UHFFFAOYSA-N 427.448 2.650 0 40 IFAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Br)cc1 12653117 YPFDPDDWYXPCPJ-UHFFFAOYSA-N 431.333 2.790 0 40 IFAB COC(=O)c1cc(NC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc(C(=O)OC)c1 12770738 SEDFPJCUEPGHRU-CBKSTNSXSA-N 428.485 2.673 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12887108 PKUDSXYJZQIYDI-OAHLLOKOSA-N 449.523 2.787 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CNC(=O)c1cc(C)cc(C)c1 12916590 FRWBRZHHSSIHEY-UHFFFAOYSA-N 426.904 2.972 0 40 IFAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCC(C)C)cc1OC 13362237 QIYXMKSDMXNPDJ-HXUWFJFHSA-N 446.569 2.982 0 40 IFAB COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCN3CCOCC3)c(=N)c21 13572502 YHNDFFIOEZNIDS-NRFANRHFSA-N 434.496 2.695 0 40 IFAB Cc1ccc(C(N)=O)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 14244499 MZESLWJGWXXSPZ-INIZCTEOSA-N 445.541 2.675 0 40 IFAB C[C@H]1CN(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)C[C@@H](C)O1 16035447 MFQRMQHDKBWQNN-IYBDPMFKSA-N 449.536 2.761 0 40 IFAB COc1cccc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)c1 19694743 ZQGNWPCZXPXOEH-LJQANCHMSA-N 445.523 2.947 0 40 IFAB CC(C)(C)CN1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699632 QCVARVVXUXXMJF-LJQANCHMSA-N 426.561 2.724 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CCn3ccnc3-c3ccccc3)C2)nc2c1CCC(=O)N2C 19738787 CZIAXYMFRAGNBG-LJQANCHMSA-N 444.539 2.964 0 40 IFAB Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 19739408 UZCGZVRHEDPKPX-UHFFFAOYSA-N 449.621 2.630 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN(C)Cc2ccc(F)cc2)ncc1C(=O)N(C)C 19751812 WHFLSBRJZQRCER-FQEVSTJZSA-N 427.524 2.812 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1ccc(Br)cc1 20236958 MUARIXIWAJEAIB-UHFFFAOYSA-N 444.376 2.519 0 40 IFAB O=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@H](COc1ccc(Cl)cc1)O2 20494798 HSRQKNLJNNFPDB-AVRDEDQJSA-N 430.888 2.624 0 40 IFAB Cn1c(=O)c2ccccc2n2c(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)nnc12 22038253 QLDGQDUXPGVFBY-UHFFFAOYSA-N 428.235 2.684 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22227949 KVIIBDHAUKVREC-UHFFFAOYSA-N 446.978 2.556 0 40 IFAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(CC(=O)N(C)C)CC2)cc1Cl 22784056 IASRAKAAOBIBPJ-JOCHJYFZSA-N 444.963 2.734 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)N2CCN(C)CC2)cc1 22795631 KVINUJBPMQBAMM-JOCHJYFZSA-N 438.572 2.664 0 40 IFAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 27996013 KSNRNEPTXPRUBE-UHFFFAOYSA-N 445.907 2.992 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 28198617 HYPJQTMAZHOMBV-IBGZPJMESA-N 430.570 2.778 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 28609556 AMHVIJNJYCQODJ-IBGZPJMESA-N 438.480 2.702 0 40 IFAB CC(C)[C@H](C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 32747215 JTCVCGMDEXGBHA-LJQANCHMSA-N 439.855 2.712 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(Br)s1)n2CCOC 32834681 FMMMNXKFUQXYJW-UHFFFAOYSA-N 427.324 2.824 0 40 IFAB COc1cc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(C)=O)cc(OC)c1OC 32930018 VXFKBLGWUSQNHJ-SFHVURJKSA-N 447.513 2.782 0 40 IFAB O=C(Cc1csc(Cc2ccccc2)n1)NCCCN1C(=O)NC2(CCCC2)C1=O 32969775 UDVXZZXELMNPJD-UHFFFAOYSA-N 426.542 2.647 0 40 IFAB CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 35380396 OOWPPLNGLONDQO-OAQYLSRUSA-N 442.947 2.690 0 40 IFAB Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1 49025927 NUTOHWZQLGTTRD-UHFFFAOYSA-N 435.507 2.877 0 40 IFAB COc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1 49672410 UXVGABIHDPOJIY-UHFFFAOYSA-N 439.903 2.756 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(-c3cccc(Cl)c3)nc(CC)cc2=O)C1 57527555 NRXIEEFSKDUXST-INIZCTEOSA-N 431.920 2.928 0 40 IFAB CCCN(CCC)S(=O)(=O)N1CCN(CCCc2nc(-c3ccc(C)cc3)no2)CC1 59829308 GPXTUCRUTNOYIG-UHFFFAOYSA-N 449.621 2.962 0 40 IFAB COc1cc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc(OC)c1OC 72333854 KMSVJEVKKTYVKZ-UHFFFAOYSA-N 438.274 2.948 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN2C(=O)N3CCCN=C3c3ccc(Cl)cc32)CC1 72335743 SZJJJSYGKTYFFN-UHFFFAOYSA-N 432.908 2.534 0 40 IFAB COc1cccc2[nH]c(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)cc12 72338870 HTAFPUOECICGFS-OAQYLSRUSA-N 440.525 2.759 0 40 IFAB CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C1CCCC1 78282069 LFKNQIXVLKQGEI-UHFFFAOYSA-N 449.617 2.708 0 40 IFAB CC[C@@](C)(CC(=O)OC)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 79001311 XPLMHZWGWUPMHQ-NRFANRHFSA-N 436.530 2.627 0 40 IFAB C[C@H](NC(=O)c1cc(Br)ncc1F)c1ccc(S(=O)(=O)N(C)C)cc1 95465182 IDHUUBZADJXEDO-JTQLQIEISA-N 430.299 2.725 0 40 IFAB CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1[N+](=O)[O-] 95970819 NVRPDXDRVJDFKK-JOCHJYFZSA-N 425.441 2.829 0 40 IFAB CN(C)C(=O)N1CCC2(CC1)CC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)N(C)C2=O 96262368 XJMRHFARADHRQM-UHFFFAOYSA-N 446.979 2.941 0 40 IFAB CC(=O)N(C[C@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100113920 SDVHDVJKYTZOBK-ROUUACIJSA-N 431.286 2.663 0 40 IFAB CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CC1)CC3 100234819 UTUBNYYWMCJDDX-AUUYWEPGSA-N 425.533 2.829 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 220715941 POGCGHNLWGWRQO-KRWDZBQOSA-N 444.981 2.995 0 40 IFAB CC[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(OC)c1 224403368 SPJNAMPJKKEUBT-SFHVURJKSA-N 438.521 2.872 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 224427104 XSGPMUNZORJELU-UHFFFAOYSA-N 444.553 2.841 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1C 225203474 PTDLHEDYKBQFON-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)COc3ccccc3)CC2)cc1 225501723 XLVWYVKQTZMZBE-KRWDZBQOSA-N 432.542 2.680 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@@H](Oc4cccc5cccnc45)C3)cc21 252572032 YVAMXIHRBUHMRD-OAHLLOKOSA-N 425.466 2.522 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408653757 FRFUZSDKUWBFMR-XRJOUIEWSA-N 430.888 2.653 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666833 SUGYHCMLYPKLEY-UKTVDESPSA-N 438.402 2.607 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 409215899 GIYORKPDWRVIMQ-UHFFFAOYSA-N 439.541 2.839 0 40 IFAB O=S(=O)(CCCn1c(O)nc2ccccc21)Cc1nc(-c2ccc3c(c2)OCO3)no1 588709101 SIXQCFDEQUWENS-UHFFFAOYSA-N 442.453 2.526 0 40 IFAB CCOC(=O)Cn1ccc2cc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)ccc21 604526363 UIGQZXKBVHSCNX-FQEVSTJZSA-N 447.495 2.904 0 40 IFAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCCC3)C[C@H]2NC(=O)Nc2ccc(F)cc2)[nH]1 2332241860 VOFRWYSBJQFGGJ-ONCXSQPRSA-N 443.523 2.949 0 40 IFAB COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)Nc3cc(C)on3)n2)cc1 1339591 GHLYBKZMCYLKCE-UHFFFAOYSA-N 433.428 2.536 0 40 IFAB CN(C)CCCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)CN(C)CC3 2205522 HDUMSGFZDKSKFC-UHFFFAOYSA-N 432.977 2.807 0 40 IFAB Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 2662149 WHCRCCCBACKCRK-DHZHZOJOSA-N 447.513 2.743 0 40 IFAB Cc1c(NC(=O)[C@H](C)OC(=O)[C@@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C 3253284 GUCZUGHFTACTDK-KPZWWZAWSA-N 426.300 2.939 0 40 IFAB O=S(=O)(Oc1cc2nnnn2nc1-c1ccccc1)c1ccc(Br)cc1 3767014 UPQNZEFMIXIATC-UHFFFAOYSA-N 432.259 2.717 0 40 IFAB COc1cc([C@@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC 6461710 PYLOPUNCJTVTKB-HXUWFJFHSA-N 435.484 2.909 0 40 IFAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)nnn3CC)cc1OCC 8313440 AGLFVLNATKMFEG-UHFFFAOYSA-N 425.489 2.959 0 40 IFAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 8430461 VEOGOJLRPOFSCL-UHFFFAOYSA-N 432.498 2.712 0 40 IFAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 8878770 QLPPMYIIEPWMTF-UHFFFAOYSA-N 433.497 2.717 0 40 IFAB CC(C)c1ccccc1-n1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 8901023 KELNKYDPPAABLX-UHFFFAOYSA-N 425.514 2.738 0 40 IFAB O=C(CNc1ccccc1N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9120100 UTGFFCOMHFPCBY-UHFFFAOYSA-N 442.585 2.622 0 40 IFAB O=C(NCCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9305408 HOARONGQZUJODT-ZDUSSCGKSA-N 436.584 2.512 0 40 IFAB O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1 9344704 OVIUGAIKTGOVHU-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 9633417 RYJOCVLESLERKE-CQSZACIVSA-N 430.457 2.828 0 40 IFAB O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9671156 TUBVWGBRGXPYKV-UHFFFAOYSA-N 428.440 2.594 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccc(O)cc2)CC1 9835258 GMUSGFKQUATVSX-UHFFFAOYSA-N 443.569 2.919 0 40 IFAB Nc1nc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)nc(Nc2ccccc2)n1 9912534 MXHFJUCMGVTYLO-UHFFFAOYSA-N 443.558 2.669 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1ncc(Cl)c(Cl)c1=O 10284786 MALKMYRQTFAYEP-UHFFFAOYSA-N 437.205 2.666 0 40 IFAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11904995 ZTHPQTBHLUJARV-GFCCVEGCSA-N 428.919 2.762 0 40 IFAB Cc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2cc3sccc3n12 12088744 RFUHUNQQUQIIDW-UHFFFAOYSA-N 425.489 2.507 0 40 IFAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 12599562 HYIVNGJNAIXDHM-KRWDZBQOSA-N 432.498 2.558 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1 12788121 PFTJEVRXBSHUPJ-UHFFFAOYSA-N 431.562 2.672 0 40 IFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12875996 HVSLZHXHMOIFPG-SSGOSMAHSA-N 428.510 2.743 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c(C)c1 12995284 MWSUKIXERXWWHR-MRXNPFEDSA-N 429.542 2.691 0 40 IFAB COc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2C[C@H]2CCCO2)CC1 13504344 HWQBMBYDTSODMY-OFNKIYASSA-N 434.544 2.772 0 40 IFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 14093529 LUWCHGOZSNIPJR-WBVHZDCISA-N 432.484 2.850 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2I)c1 14907172 LNVIQNBPQVOCOA-UHFFFAOYSA-N 430.267 2.794 0 40 IFAB COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(OC)cc1Cl 15474987 SWFKAMMMMPCIOH-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 15518631 QVTPIRASPOGCAF-GOSISDBHSA-N 439.516 2.511 0 40 IFAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021946 UZPHEAGMUZZUDX-YBJWPOLQSA-N 437.927 2.959 0 40 IFAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19404163 WBGZBSQRLDHVMN-WIYYLYMNSA-N 436.560 2.952 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(c2nc(C)cc(C)n2)CCO1 19702633 CRVLCCGXJBGBIA-MRXNPFEDSA-N 427.530 2.657 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCC(Cc3c(CN(C)C)cnc4ccnn34)CC2)cc1 19704752 NHWRPNIZQOFCRN-UHFFFAOYSA-N 434.544 2.844 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738822 BWZIOHNPXNYMLD-SFHVURJKSA-N 430.512 2.628 0 40 IFAB CCOCCCNC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19936193 KEJJUGJBRXOBGL-OAQYLSRUSA-N 434.558 2.990 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc12 19940885 DJKVQBXTKOFNIP-QFIPXVFZSA-N 430.512 2.601 0 40 IFAB COc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 21173099 QULXQXIOTSLABG-ZDUSSCGKSA-N 431.441 2.518 0 40 IFAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1Br 21454129 GNDXYAVDHBBMKC-ZDUSSCGKSA-N 435.274 2.881 0 40 IFAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 22159554 FAWNQMGKPJTWFQ-ZDUSSCGKSA-N 435.274 2.881 0 40 IFAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2ccncc2)cc1 22232529 AXOYTDMRVZLOSF-UHFFFAOYSA-N 443.500 2.882 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CN1CCN(CCOc3ccc(Cl)cc3)CC1)C2=O 22804645 JNGXUAXDPUVMEH-UHFFFAOYSA-N 434.968 2.795 0 40 IFAB CN1C(=O)c2ccc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2C1=O 28636067 XQBDFVABMZTWOB-UHFFFAOYSA-N 431.414 2.889 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccnc(N2CCCC2)c1 30012638 GBYJXUSCMURLRK-UHFFFAOYSA-N 442.585 2.715 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc2c(c1)CCO2 30372868 ZVAYKCKQEPLYJH-KRWDZBQOSA-N 432.527 2.568 0 40 IFAB CN(Cc1nc2ccccc2[nH]1)C(=O)CN1C(=O)COc2cc(Br)ccc21 32626967 QWMGHEXMGRWAAZ-UHFFFAOYSA-N 429.274 2.709 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c3nc(C)nn23)CC1 32871514 WDJNFYWRQLSBQN-CYBMUJFWSA-N 427.530 2.868 0 40 IFAB COc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3)c2N)cc1OC 33171852 KPOJKXJIAMHXTQ-UHFFFAOYSA-N 426.498 2.603 0 40 IFAB C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C(=O)C4CCCCC4)CC3)c2C(N)=O)C1 35313307 JUWWOJUQUBPZQH-OAHLLOKOSA-N 446.617 2.635 0 40 IFAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F 36589840 VSTHLZSUYUJKEL-RFAUZJTJSA-N 425.258 2.530 0 40 IFAB CSc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)cc1 38652178 DMEZMFUCGGFXDW-UHFFFAOYSA-N 431.481 2.857 0 40 IFAB O=C(NCCN1CCc2ccccc21)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 40150323 PKIGSZABPBGSDZ-CPNJWEJPSA-N 439.581 2.878 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cn4ccccc4n3)CC2)c1C 40160238 GOFYFZJINXNRDU-UHFFFAOYSA-N 426.542 2.715 0 40 IFAB CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)cc1 44880312 RGGFDPOJOYZLKF-OAQYLSRUSA-N 432.542 2.738 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)c1 57426831 RGSBYHNVECJLFV-UHFFFAOYSA-N 449.532 2.906 0 40 IFAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1cc(F)ccc1F 57520259 YDAGRSMCPDFKSE-UHFFFAOYSA-N 430.440 2.564 0 40 IFAB CC[C@@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 57994633 YWPGLKTWHOVNHS-RXXSEBCPSA-N 433.618 2.577 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 58014414 NTHKUFSUXVQPSU-UHFFFAOYSA-N 432.933 2.771 0 40 IFAB Cc1nccc(-c2cccc(NC(=O)NCCNS(=O)(=O)Cc3ccccc3)c2)n1 58305284 IPBNVROZCNUJEI-UHFFFAOYSA-N 425.514 2.693 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CC[C@@H](Nc3ccccc3)C2)sc(C(=O)NC)c1C 69946664 ZAGLKDNOQJHNQG-MRXNPFEDSA-N 444.557 2.718 0 40 IFAB COc1cc(/C=C/C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1OC 70927060 ZQMSMYWVLYMQMW-VOTSOKGWSA-N 439.512 2.789 0 40 IFAB O=S(=O)(CC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 72230381 RTIMUBDSVZYZQL-UHFFFAOYSA-N 427.013 2.618 0 40 IFAB O=C(Cn1nnc2ccccc2c1=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 84587462 NDEFTKURAGMCIF-UHFFFAOYSA-N 447.322 2.963 0 40 IFAB COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NCCc2c[nH]c3ccccc23)C1=O 96221190 IELCYUZEEGFAHS-FQEVSTJZSA-N 434.496 2.736 0 40 IFAB biogenic COc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 103155141 HMFVNIBUVSOZIM-NCXUSEDFSA-N 447.896 2.848 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)c1 138769338 LJOYHQGRLVLYDT-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)cc1 219253006 SQEVNDDRSMAYRS-UHFFFAOYSA-N 429.586 2.789 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)cc1 220490845 RWFWUIFYPPIYBD-AWEZNQCLSA-N 432.477 2.655 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3=O)ccc21 223107138 OAWOMGAZFCUBMF-UHFFFAOYSA-N 441.553 2.587 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(C(=O)N(C)C)cc3)s2)c1 225752576 DZJSWNBIQSJAQM-UHFFFAOYSA-N 445.526 2.601 0 40 IFAB C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2cccnc2)n1 225940014 HYXHLVRIZWDRQH-MRXNPFEDSA-N 427.578 2.574 0 40 IFAB C[C@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 245237196 GCNOHPDPBZYRGZ-KSSFIOAISA-N 444.582 2.958 0 40 IFAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(OC)c(Cn3cncn3)c2)O[C@@H]2CCCC[C@@H]12 257300590 RUXPZHXJPSWDMG-YVNJGZBMSA-N 428.533 2.877 0 40 IFAB C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 502702038 MUXFNMGNKGLMRF-HOTGVXAUSA-N 430.512 2.899 0 40 IFAB O=C(c1ccc2nccnc2c1)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 585500584 KRIGJLNDISHFEF-UHFFFAOYSA-N 426.480 2.801 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2ccc(Br)cc2)c1 2651457 RGOJSGOXXRCIAL-LLVKDONJSA-N 426.288 2.785 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3393547 DPZBLFMFIVIRJQ-VGOFRKELSA-N 444.484 2.907 0 40 IFAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@@H]3CCO)c12 5477881 YBDRDFUWJHHRMP-MRXNPFEDSA-N 431.533 2.847 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 8753432 WMBRNBZZPWBXAM-RUZDIDTESA-N 448.523 2.891 0 40 IFAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 8936955 BFLQCBGLACWIQK-QGZVFWFLSA-N 432.498 2.558 0 40 IFAB O=C1CC2(CCCCC2)Oc2cc(OCC(=O)N3CCN(c4ncccn4)CC3)ccc21 8991867 MCJWEPIJGPCRKV-UHFFFAOYSA-N 436.512 2.872 0 40 IFAB O=C(NCc1ccncc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@]23C=C[C@H]1O3 9061067 NUDFDUMBRMRBAI-NEYJZJCJSA-N 429.398 2.703 0 40 IFAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCN(c2ccc(O)cc2)CC1 9847213 MBZIUCJXZSHYSU-UHFFFAOYSA-N 436.541 2.822 0 40 IFAB COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(Cl)cc3)CC2)c1 9849573 HZJBHZMJQLCNSF-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(NC(=O)c2ccco2)cc1 9899079 XLRAVHINXQFUML-UHFFFAOYSA-N 427.482 2.712 0 40 IFAB COc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 10029216 CLFZJUJBWCLTIS-LBPRGKRZSA-N 436.555 2.783 0 40 IFAB CCOc1cc(C(=O)NC(=S)Nc2nnn(CC(C)C)n2)cc(OCC)c1OCC 10127983 ZGBKXQFPKIIFSH-UHFFFAOYSA-N 436.538 2.652 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 10454741 VSNDREQRWYBTAQ-CQSZACIVSA-N 434.514 2.958 0 40 IFAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3c(-c4cccnc4)noc3C)CC2)n1 12142958 UNQAGXSWNRTXCO-UHFFFAOYSA-N 448.527 3.000 0 40 IFAB COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 12520549 SUCNSQZWGMKELD-REWPJTCUSA-N 432.524 2.991 0 40 IFAB O=C(COc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12806724 VIDNMISDCDSGMI-UHFFFAOYSA-N 428.869 2.518 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 12877595 WOFFIUMVBVFVAX-LJQANCHMSA-N 438.505 2.735 0 40 IFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14094545 AIJQAVQLMYXYOL-INIZCTEOSA-N 428.492 2.782 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)[C@H](C)c3ccccc3)CC2)cc1 16427402 HATNAWVNBQISQC-HXUWFJFHSA-N 429.586 2.911 0 40 IFAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1 16729266 LJAHNOSAMGKTHJ-UHFFFAOYSA-N 431.558 2.701 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n([C@H](C)c2ccccc2)c1=O 16972474 CXGJFWDEGVAWEI-LRTDBIEQSA-N 432.480 2.577 0 40 IFAB biogenic C/C(Cl)=C/CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)CNC(=O)c1cc(C)ccc1O2 19218952 KBTCWDVZXBTSNL-OCAMQPFFSA-N 433.936 2.516 0 40 IFAB COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)Cn4ccnc4)C[C@H]23)c1 19566265 CWKJQUGFNZXJJN-DNVJHFABSA-N 436.556 2.925 0 40 IFAB COC(=O)c1cc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)cc3)ccc2s1 20012926 DWYQHDVKRMDLHA-UHFFFAOYSA-N 448.522 2.956 0 40 IFAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(C(C)=O)CC2)cc1OC 20894974 FXKQBCMQJQLCSY-UHFFFAOYSA-N 434.496 2.861 0 40 IFAB COc1ccc(NC(=O)Nc2nnc(SCCN3CCOCC3)s2)cc1OC 22908775 BREAWCAXPIDUSG-UHFFFAOYSA-N 425.536 2.624 0 40 IFAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 23107706 MAJBJOBDRPJDAF-QHCPKHFHSA-N 447.535 2.654 0 40 IFAB Cc1nc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2o1 24013419 IPTRSIKNSIMLHG-GFCCVEGCSA-N 431.470 2.603 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 24924022 RQFNQTCMZTXEAR-QGZVFWFLSA-N 443.569 2.714 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 29322462 VUUUGNVUCIPKDU-UHFFFAOYSA-N 429.464 2.834 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 34857639 HCEZSVRTQKQEOZ-UHFFFAOYSA-N 427.570 2.819 0 40 IFAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)no1 36408801 JTEAQTMGSSWRNR-UHFFFAOYSA-N 441.713 2.795 0 40 IFAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1OC)CC(=O)N2 40390553 WLZUNKFCSNMBFW-KGLIPLIRSA-N 425.489 2.612 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)nn2CCO)cc1 42384564 MQIRDQIUCRSCDS-UHFFFAOYSA-N 448.570 2.887 0 40 IFAB CC(C)(C)NC(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 56949927 XUXPMTZMNODBHJ-UHFFFAOYSA-N 433.936 2.909 0 40 IFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(I)c(C)c2)CC1 96305775 KHPDAQKRCQNCIV-UHFFFAOYSA-N 437.299 2.563 0 40 IFAB COc1ccccc1[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@@H]2c2snnc2C3)[C@H](C)C1=O 100214823 JROZTJHXSVBCKJ-GZOSKZMVSA-N 426.542 2.582 0 40 IFAB CC[C@H](C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CC1)CC3 100234830 UTUBNYYWMCJDDX-LIRRHRJNSA-N 425.533 2.829 0 40 IFAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(OC)c(OC)cc21 101035591 UHXUEPMZYXJMGI-MRCUWXFGSA-N 449.554 2.731 0 40 IFAB COC(=O)Cn1/c(=N\C(=O)CS(=O)(=O)Cc2ccccc2)sc2c(C)cc(C)cc21 101142317 RWPZTDLOOSXCTI-QURGRASLSA-N 446.550 2.535 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2N2CCCC2)cc1OC 217491117 DKFILKTWTOCSKI-UHFFFAOYSA-N 434.514 2.523 0 40 IFAB CN([C@@H](C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 223523410 FRNLASKKIDDHCO-HXUWFJFHSA-N 429.542 2.884 0 40 IFAB Cc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(C)c1 224116736 BKXZZQHIERLZEH-UHFFFAOYSA-N 448.541 2.774 0 40 IFAB CSc1cccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c1 225059559 DIDNGQLTPSJPKO-UHFFFAOYSA-N 437.568 2.727 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)ccc21 225687781 GAQFKVUEIBLFDI-UHFFFAOYSA-N 433.555 2.602 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCOc4ccccc43)CC2)c1 226078484 WXMBPFQMVNTEKW-UHFFFAOYSA-N 446.525 2.530 0 40 IFAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)c1F 253473222 SSGLMYBSPCTXAX-SECBINFHSA-N 436.328 2.844 0 40 IFAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CCCC(=O)O)C[C@@H](Oc2ccccc2F)[C@@H]1O 257224439 FBVLANCPGVHGAO-YKBLPDKLSA-N 444.503 2.578 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)c(C)n1 257245180 IOKBQVUUIBRJHD-QGZVFWFLSA-N 428.518 2.507 0 40 IFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1c(C)oc3c1CCCC3)CC2 257337441 YSTXLIFLIJUJNP-INIZCTEOSA-N 437.544 2.833 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3OC)C2)cc1 260810600 IKIHWGYVHNILBM-IRXDYDNUSA-N 432.542 2.982 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)c4ccoc4)C[C@H]3c3cccnc3)C2=O)cc1 306145123 ZYUVGDLURJTJMS-WIOPSUGQSA-N 447.491 2.721 0 40 IFAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)NCc1ccccc1 408677712 QXIJILDUGAPDPG-UHFFFAOYSA-N 439.493 2.525 0 40 IFAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 409152896 KIPWZXVNZUIARZ-CXUHLZMHSA-N 445.884 2.879 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1=O 643556199 HSISNVAYBUZADT-HSZRJFAPSA-N 427.501 2.540 0 40 IFAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4cc(Cl)ccc4C)C[C@@H]23)n1 1549162713 VBDWTPDCRWBZJM-QGZVFWFLSA-N 442.907 2.674 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(CC1CCOCC1)CC2 1549166448 DKVRMEHXSHUXDV-QFIPXVFZSA-N 427.589 2.984 0 40 IFAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1 3545110 YUAMTCNFAGGPTH-UHFFFAOYSA-N 427.862 2.556 0 40 IFAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O 3830594 LQOLIRLGBULYKD-VBQJREDUSA-N 435.889 2.549 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccc(F)cc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 8774851 QGWFRYFYJBUENH-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB CCOCCCNC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8789891 CDEQZKAYFLILLN-CYFREDJKSA-N 440.544 2.771 0 40 IFAB biogenic CC(C)C[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 8924860 AMDKBGAYUPCYEF-QRWLVFNGSA-N 442.537 2.978 0 40 IFAB CCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 9206857 UWBXLNCGDWTCME-LBPRGKRZSA-N 426.498 2.793 0 40 IFAB Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 9269411 YEPISOALXVRNDB-NHCUHLMSSA-N 441.553 2.967 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)sc2c1CCCC2 9544496 XRPKTINFFHXIST-LBPRGKRZSA-N 433.530 2.995 0 40 IFAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCN(c2ccccn2)CC1 9951171 KTAQVAXXPHXPBJ-UHFFFAOYSA-N 431.525 2.651 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 10511630 JQGXBAAZXZWBPB-CYBMUJFWSA-N 448.975 2.597 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 11216115 VIIIVXWVSLOVFB-HNNXBMFYSA-N 431.514 2.654 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1 11693257 ONJXSFKWLCAGIN-UHFFFAOYSA-N 447.494 2.976 0 40 IFAB COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)c1 11697686 CVDVULZUHGQYDQ-UHFFFAOYSA-N 435.488 2.987 0 40 IFAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12618034 QYTNDSSGDWATSV-UHFFFAOYSA-N 440.569 2.777 0 40 IFAB CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)[C@@H]1CCS(=O)(=O)C1 12766878 HUBYVESXRKOCDG-CQSZACIVSA-N 437.587 2.532 0 40 IFAB COc1ccc(-c2noc(CN3CCN(C(=O)COc4cccc(F)c4)CC3)n2)cc1 12783956 UXYPMSRVCMVCGP-UHFFFAOYSA-N 426.448 2.608 0 40 IFAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1 12925346 NMEAAHDYWCWKNV-UHFFFAOYSA-N 448.504 2.703 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 13040718 DYPKFMRHPKHXEX-KRWDZBQOSA-N 429.542 2.531 0 40 IFAB CC(=O)NCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 15372729 IUYYNLALGAEBOZ-UHFFFAOYSA-N 430.313 2.660 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 15615366 GVJXCRYXPKAAJP-QGZVFWFLSA-N 446.525 2.911 0 40 IFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C 16145507 OJZZEYJITPFOFY-UHFFFAOYSA-N 429.542 2.928 0 40 IFAB CN(CC(=O)/N=c1/sccn1Cc1ccccc1F)S(=O)(=O)c1cccs1 17368869 PMODAAYDOHIGRZ-HTXNQAPBSA-N 425.532 2.547 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c(OC)c1 18223255 CGZQAVPWAVGAAE-ZRDIBKRKSA-N 440.496 2.974 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 19710485 OTESHWAZLPGJLF-UHFFFAOYSA-N 425.508 2.511 0 40 IFAB COc1ccc(CN(C)c2nc([C@H]3CCCN3C)nc3c2CN(C(C)=O)CC3)cc1OC 19710819 VFBYIMDVTHCZSH-HXUWFJFHSA-N 439.560 2.802 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)nc1C 19851147 IKFIDOXSMKHXSE-UHFFFAOYSA-N 433.515 2.860 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244350 XXICGDFEVXNDLZ-FQEVSTJZSA-N 438.638 2.687 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1SC[C@@H]1CCCO1 27218178 VNXGFGZERDPZDC-SFHVURJKSA-N 434.583 2.937 0 40 IFAB CCOC(=O)C1=C(CN(C)Cc2cnn(-c3ccccc3)c2)NC(=O)N[C@@H]1c1ccco1 27551433 PJEKSQOFWCRKPQ-OAQYLSRUSA-N 435.484 2.768 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1C(=O)N1CCCC1 30754424 IYDZGWCWFZAUQD-UHFFFAOYSA-N 440.525 2.595 0 40 IFAB CNC(=O)Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 32832489 YVDPRJIUHPARFS-UHFFFAOYSA-N 429.542 2.792 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1cc3cccc(C)c3[nH]c1=O)N(S(C)(=O)=O)CC2 35313448 YYKHYJNYQZLBFP-NRFANRHFSA-N 428.510 2.761 0 40 IFAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)o2)cc1 35597453 GFZGQJNARGOKRF-UHFFFAOYSA-N 444.421 2.848 0 40 IFAB CN(CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)S(=O)(=O)c1cccs1 39969266 XCTQIYQEULTMKM-QGZVFWFLSA-N 442.006 2.975 0 40 IFAB Cc1c(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cnn1-c1ccc(C(F)(F)F)cn1 40092536 FAVCPRIUODZUHU-GOSISDBHSA-N 438.498 2.596 0 40 IFAB C[C@H]1CN(C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@H](C)O1 40135640 WHQIQMJLRWKJNF-NKQFANSYSA-N 431.621 2.809 0 40 IFAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 48260569 NOOLUYJOJONHHC-LJQANCHMSA-N 426.561 2.644 0 40 IFAB CN(C)c1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)c1 49406108 KFLZGDRWBMUMID-UHFFFAOYSA-N 436.491 2.507 0 40 IFAB O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 96377737 ROFNFEMMHNJVNG-UHFFFAOYSA-N 439.408 2.571 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2OC)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101165378 OCTOPBDGAYMASL-MJGOQNOKSA-N 441.871 2.954 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101220869 FDELBLHJGMYLED-PMTMETLSSA-N 445.562 2.649 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(F)cc4F)[C@H]3C2=O)cc1Cl 101388597 IPEPFJGXJIVCPH-IAGOWNOFSA-N 449.801 2.559 0 40 IFAB CSCC[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101416824 VATMIQDCCLIWDR-OTWHNJEPSA-N 443.569 2.814 0 40 IFAB C[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@H]1C[C@H]2CC[C@H]1C2 104657658 VPAVPLGMHYZZAC-MUQADHOPSA-N 432.590 2.697 0 40 IFAB CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218204855 ILUHTTGVUNWCNK-CKEIUWERSA-N 433.368 2.572 0 40 IFAB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220343316 IPDGAVNPZKLONO-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224085607 GBNXSIUJGRQVKH-LJQANCHMSA-N 445.585 2.642 0 40 IFAB COc1cccc(OCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224890450 ATFQMGLBBDWKLP-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB C[C@@H]1CCCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 225554447 BHSUKGMISTUFEU-QZTJIDSGSA-N 442.025 2.979 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCOc3ccccc32)CC1 226081321 OQKPXSOTEUGCCP-UHFFFAOYSA-N 430.526 2.830 0 40 IFAB COc1cc(-c2cc(C(=O)N[C@@H](Cn3nccn3)c3ccccc3)[nH]n2)cc(OC)c1OC 253473277 TYSBJITWQVRAMK-IBGZPJMESA-N 448.483 2.865 0 40 IFAB COc1ccc2c(c1)C=C(C(=O)N1CCO[C@@H](c3cccc(Nc4ncccn4)n3)C1)CO2 257330855 XQHNQYSSHXBRRS-OAQYLSRUSA-N 445.479 3.000 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 257338519 YXUMHHBGEGRLHC-KRWDZBQOSA-N 444.536 2.819 0 40 IFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1nnc(SC)s1)S(C)(=O)=O 260815163 SXRPVYNEFOHUKF-MRVPVSSYSA-N 436.968 2.715 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408652872 DFLGQQQAPHJESD-PWDCEVBCSA-N 437.279 2.671 0 40 IFAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1C 409137929 XHGUTEUDEIVPJG-CPNJWEJPSA-N 425.510 2.989 0 40 IFAB CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc3)C2)CC1 520743526 DIFZLYYVKMSYLY-DEOSSOPVSA-N 449.599 2.903 0 40 IFAB Cc1cccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC(=O)NC(C)C)n1 585107184 QTXLNFUHIKYREH-RUZDIDTESA-N 444.539 2.662 0 40 IFAB COc1ccc([C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)nc(O)c32)c(OC)c1OC 670416139 QAPXTYOKQRDQFL-CQSZACIVSA-N 428.489 2.918 0 40 IFAB CCN1C(=O)/C(=c2\sc3nc4ccccc4n3c2=O)c2cc(Br)ccc21 6458109 FIGNBQFATMSXJB-NXVVXOECSA-N 426.295 2.956 0 40 IFAB O=C(CCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc2c(c1)OCCCO2 8849538 WARYALOKBDJLCH-UHFFFAOYSA-N 428.510 2.857 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 9120388 DPHGFQHGNNFUCS-UHFFFAOYSA-N 431.533 2.575 0 40 IFAB COc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9316790 BAVCKLDSBOFXTN-UHFFFAOYSA-N 431.558 2.940 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(OC)cc3)C2)c1 9349062 QATWIFHFWRGYNA-LJQANCHMSA-N 437.543 2.568 0 40 IFAB CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 9391628 HQENWIUWTDWAGA-CVEARBPZSA-N 429.542 2.641 0 40 IFAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCN(C(C)=O)CC3)c2c1C 9592027 HSWHXQYTBKXWQE-UHFFFAOYSA-N 445.589 2.831 0 40 IFAB CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 9615138 FCMBMBKQBHFNFP-UHFFFAOYSA-N 444.542 2.869 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(CC)s1 9761737 GHFVSFQHGFOSQH-UHFFFAOYSA-N 434.495 2.801 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCC1 9831825 LQPODWXKWYICIG-UHFFFAOYSA-N 432.498 2.893 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(Cc3cccnc3)C2)on1 12089343 OROSJKWRKLIRDG-HXUWFJFHSA-N 433.560 2.966 0 40 IFAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN([C@H]2CCS(=O)(=O)C2)C4)cc1 12442553 UTXFTKCIURXJII-HNNXBMFYSA-N 427.478 2.808 0 40 IFAB biogenic CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 12469757 XBGRXJILLRDHNG-MHORFTMASA-N 433.457 2.634 0 40 IFAB COc1ccc(OC)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1 12906666 VSPQSHZSFMDEJE-UHFFFAOYSA-N 442.896 2.643 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cccc2cccnc12 12984195 NWWLSCHEMCIGKR-UHFFFAOYSA-N 427.482 2.703 0 40 IFAB CCn1c(C)cc(C(=O)COC(=O)[C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C 13056576 SQYOIBJEXSMBMI-AWEZNQCLSA-N 446.500 2.695 0 40 IFAB C[C@]1(C(=O)N(CCc2ccccc2)CC(=O)NC2CCCCC2)CC(=O)N=C2C=CC=CN21 13082991 RKMQCAMBAULJQX-AREMUKBSSA-N 448.567 2.980 0 40 IFAB COC(=O)c1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2)cc1 13563400 WXLVLZYAXUBAQB-UHFFFAOYSA-N 445.522 2.902 0 40 IFAB O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 14082983 RUZATDBMKVYMFQ-FQEVSTJZSA-N 433.599 2.808 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H](O)COc2cccc3ccccc23)C1=O 14252295 KSUHBKILNBSIML-BVZFJXPGSA-N 448.475 2.818 0 40 IFAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 15713419 YVFSHGCUZICXCE-UHFFFAOYSA-N 431.464 2.902 0 40 IFAB Cc1cccc2c(=O)[nH]c(COC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)nc12 16660325 WQNJIRUPVGDWTG-UHFFFAOYSA-N 447.488 2.515 0 40 IFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc(N(C)C)c2C1 19710354 YPHFVMNGIZQVFN-OAQYLSRUSA-N 439.535 2.883 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(N)=O)CC3)c(Cl)c2)cc1 20453337 LNUPKRUYQMWCGB-UHFFFAOYSA-N 435.933 2.787 0 40 IFAB COc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc(OC)c1OC 20745208 DZWUDBCULAWTJJ-UHFFFAOYSA-N 437.496 2.802 0 40 IFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 22246267 HXRYSULOZQHTLA-XMMPIXPASA-N 449.576 2.925 0 40 IFAB COc1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1OC 22916531 SQUXNHLDZISKMH-UHFFFAOYSA-N 428.920 2.912 0 40 IFAB O=C(CSc1nccc(C(F)(F)F)n1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 26340778 HZDJNVSSMCVNBF-CYBMUJFWSA-N 431.461 2.808 0 40 IFAB COc1ccc(C2=CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)cc1 32937083 MBQPCRLJGZOGHG-UHFFFAOYSA-N 441.553 2.807 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 40106597 VQZYQIFQEXKTJR-UHFFFAOYSA-N 442.497 2.971 0 40 IFAB CCCOc1ccccc1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44851653 RPPOBGAZJBTSKF-OAQYLSRUSA-N 432.542 2.751 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(C)cc3)C3=C2COC3=O)cc1OC 49402899 ZWVSAONHFCQJNM-NRFANRHFSA-N 437.452 2.528 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)cc1 57506455 HCPOHGSNNAMMDM-UHFFFAOYSA-N 446.507 2.930 0 40 IFAB COc1cc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc(OC)c1 57506984 WELZUDLIUQOZHC-UHFFFAOYSA-N 447.542 2.671 0 40 IFAB COc1ccccc1N1CCN(C(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)CC1 71769011 TXAKPFHHNMKSJP-UHFFFAOYSA-N 438.503 2.551 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(C(N)=O)cc1F 72307932 ZTCPRYSRLWUNBP-UHFFFAOYSA-N 449.504 2.750 0 40 IFAB Cc1oc(C(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)cc1CN1CCOCC1 72348214 PDXGJJONNFTSTO-UHFFFAOYSA-N 448.523 2.826 0 40 IFAB COC(=O)[C@@]1(NC(=O)C2=Cc3cccc(OC)c3OC2)CCCN(Cc2ccccc2)C1 79071319 GGAJSSZRQFSCPT-RUZDIDTESA-N 436.508 2.795 0 40 IFAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccc(Br)cc12 100030060 YRAWNKQEJJZTOG-ZQIUZPCESA-N 429.336 2.615 0 40 IFAB O=C1[C@@H]2[C@@H](C(=O)N1CCN1CCN(c3nc(-c4ccccc4)cs3)CC1)[C@H]1C=C[C@H]2C1 102454305 IRMUKTVOJHDYFJ-QIJZPMMNSA-N 434.565 2.739 0 40 IFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220239741 LDIBREAYEHKNBH-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(OC)c3)n2)c(OC)c1 223764408 GBMXTVTUXILADQ-UHFFFAOYSA-N 449.485 2.592 0 40 IFAB CSc1ncc(-c2nnsc2C(=O)OCCNc2cc(C)nc(SC)n2)cn1 223857518 HDSALMNBHDZNHO-UHFFFAOYSA-N 435.560 2.806 0 40 IFAB COc1ccc(C(=O)N2CCS/C2=C/c2c(C)noc2C)cc1S(=O)(=O)N(C)C 225246707 MZYITIUIXPZYHW-WOJGMQOQSA-N 437.543 2.738 0 40 IFAB O=C(Nc1ccc(OC2CSC2)cc1)[C@@]12C[C@@H]1CN(Cc1ccccc1)S2(=O)=O 225948363 IKUDWQTTXMQQFJ-IIBYNOLFSA-N 430.551 2.724 0 40 IFAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC(N)=O)c(OC)c4)OCC[C@@]31C2 257216506 CUTWVDGOTQZWBL-ZFDNWZOYSA-N 430.545 2.968 0 40 IFAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Nc4cnccn4)cn3)C2)cc1C 257243834 IITKFFPXEOJDNE-FQEVSTJZSA-N 441.513 2.694 0 40 IFAB CN1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)CC1 257246571 IUSFXKYKIAQUPF-QFIPXVFZSA-N 447.583 2.702 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 260888545 BGZGYNDVWXNDOS-OALUTQOASA-N 446.569 2.988 0 40 IFAB CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408610093 UWMGQAOKVPQOLL-INIZCTEOSA-N 434.514 2.512 0 40 IFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408671417 YATHBYRLRYKMQZ-KMNYTQEUSA-N 432.904 2.877 0 40 IFAB CCOC(=O)c1ccn(-c2ccccc2NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)n1 519398558 GBZCCAFFXKQELD-OAHLLOKOSA-N 434.452 2.802 0 40 IFAB O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 540015614 DPGKSADQQRKOJI-RQTOMXEWSA-N 437.540 2.551 0 40 IFAB O=C(C1=NO[C@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1)N1CC(F)(C2CC2)C1 585101268 SVYAEZYFZSOJFD-QGZVFWFLSA-N 427.402 2.571 0 40 IFAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(C(F)(F)F)nc1 585147680 QQJNALXXAZXVNV-UHFFFAOYSA-N 426.420 2.564 0 40 IFAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)c2ccco2)n1 585148198 ZDSWRSTWLMJLQY-FQEVSTJZSA-N 449.511 2.954 0 40 IFAB C[C@@]1(c2cccc(-c3noc([C@H]4CCCN4C(=O)c4ccccc4)n3)c2)NC(=O)NC1=O 685286443 KCWWHADRIKEZKL-HXOBKFHXSA-N 431.452 2.769 0 40 IFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(Br)cc2)nn1 1888888282 QTLDNXMPVSJISP-XYPWUTKMSA-N 441.351 2.744 0 40 IFAB Cc1cc(N2CCOCC2)nc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)n1 1889125028 XKTMKBFEFRDEII-UHFFFAOYSA-N 426.418 2.501 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)CC2)C1 2037845685 GPXOVCQRHLAOIV-JOCHJYFZSA-N 433.568 2.649 0 40 IFAB CC(C)CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 2652885 UQFZNILIHVLHIK-UHFFFAOYSA-N 438.575 2.776 0 40 IFAB COc1cc(C=O)cc(I)c1OCC(=O)NCCc1ccccc1 2767272 IELPTWWINTVVFB-UHFFFAOYSA-N 439.249 2.850 0 40 IFAB COc1ccccc1C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 2782868 NOHYVWQHFVQNKP-UHFFFAOYSA-N 433.302 2.821 0 40 IFAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1F 3450503 DDRBRPRRNFIMRE-UHFFFAOYSA-N 449.287 2.983 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 8724509 LRLXPRDKLZVGOU-KBPBESRZSA-N 447.942 2.752 0 40 IFAB COc1cccc(CNC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1 8883513 PYTWKROBIVSRLF-UHFFFAOYSA-N 432.476 2.952 0 40 IFAB CC(C)c1ccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 8991384 KAUNYUBSXBAJDQ-IBGZPJMESA-N 443.569 2.966 0 40 IFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 9056657 ZRSOSHJILVYIKG-NSYGIPOTSA-N 445.475 2.563 0 40 IFAB COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(Br)cc2)c1N 9227015 ADUVLWGMCTUJEO-UHFFFAOYSA-N 445.277 2.522 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nccn2Cc2ccccc2)C1=O 9367311 LTZBJOCNGTXJPU-HSZRJFAPSA-N 449.536 2.912 0 40 IFAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)c2ccccc2)c1=O)CCCC3 9409963 XYQDDUYJPSAWDN-UHFFFAOYSA-N 426.494 2.550 0 40 IFAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)Nc2cc(S(=O)(=O)N(C)C)ccc21 9631448 TXBFVGJBXONMQM-LJQANCHMSA-N 444.557 2.730 0 40 IFAB Cc1ccccc1-c1nnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1C 9724070 YBXXXWBVKFLOIF-KRWDZBQOSA-N 448.614 2.841 0 40 IFAB O=c1c2ccccc2nnn1CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 9847271 AJEMJNDPCWQBQX-UHFFFAOYSA-N 431.543 2.501 0 40 IFAB NC(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 11517691 QPCJDAAAXYHUSL-UHFFFAOYSA-N 447.426 2.637 0 40 IFAB Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cc1csc(NS(C)(=O)=O)n1 12088434 AIJNAVQFEOKVNB-OAHLLOKOSA-N 436.584 2.922 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12236864 AFZCQWCTPQWRQO-IAGOWNOFSA-N 436.560 2.579 0 40 IFAB COc1ccc([C@H]2N=C3NCN(CCCN(C)C)CN3c3nc4ccccc4n32)cc1OC 12323982 RTAJDJBXXLJCGB-QFIPXVFZSA-N 449.559 2.548 0 40 IFAB CCOC(=O)c1c(NC(=O)COc2ccc(C(=O)OC)cc2)sc(C(=O)OC)c1C 12795299 ALMOLCROAYGOQG-UHFFFAOYSA-N 435.454 2.824 0 40 IFAB CSc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12886066 BNLGVSYUTGJJQS-KRWDZBQOSA-N 433.599 2.883 0 40 IFAB CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21 13024812 ZUCZTXMIQLFWLK-QFIPXVFZSA-N 437.544 2.952 0 40 IFAB CCOC(=O)c1[nH]c(CSc2nnnn2-c2ccc(OC)cc2)c(C(=O)OCC)c1C 13141290 DRTMVHZCBLECEZ-UHFFFAOYSA-N 445.501 2.953 0 40 IFAB CC1CCN(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 13669098 ZYEKCUVESVITFW-UHFFFAOYSA-N 436.405 2.998 0 40 IFAB COc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1OC 15110181 NWDCQZUNVDOHNJ-HSZRJFAPSA-N 447.491 2.843 0 40 IFAB NC(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)CCCc2ccccc2)CCO1 19702815 HPXHREIBLHYDPG-KRWDZBQOSA-N 445.566 2.731 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)C(C)(C)OC)nc32)cc1 19744233 HHQMQPMLNFRLHU-IBGZPJMESA-N 438.528 2.971 0 40 IFAB O=c1oc2cc(OC[C@H](O)CN3CCN(c4ccccc4F)CC3)ccc2c2c1CCC2 19909133 PDWYZDJRFIDGNP-QGZVFWFLSA-N 438.499 2.983 0 40 IFAB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 20610727 CQCPNMABNNJHRU-CROMWVBPSA-N 427.570 2.883 0 40 IFAB biogenic Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 22513564 MSDNYUVGRMXFMW-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1C(=O)O 32648492 LMPBJJPYACOHKM-UHFFFAOYSA-N 426.497 2.507 0 40 IFAB COc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc(OC)c1 32910896 CMHLOKQWHWKIKI-CYBMUJFWSA-N 426.425 2.541 0 40 IFAB O=C(NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(OC(F)F)cc1 33028295 PRMRKWZPABTIEU-QPJJXVBHSA-N 429.467 2.875 0 40 IFAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2c(F)cccc2Cl)C[C@@H](C)O1 35590443 YWVVOSOOEFJZIF-BETUJISGSA-N 432.887 2.662 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)NCCc1csc2nc(-c3cccs3)nn12 38669680 CCYFQBJCHZPVIX-UHFFFAOYSA-N 425.495 2.786 0 40 IFAB COc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3OC)c(=O)c3sccc32)c1 57490666 VKGMKYWVJJQXQN-UHFFFAOYSA-N 437.477 2.870 0 40 IFAB Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 69818574 WPUIZMLQUSQRQV-UHFFFAOYSA-N 435.503 2.746 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)n(C)c2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 72351596 DVLTUOKWVJCXQR-QHCPKHFHSA-N 429.520 2.968 0 40 IFAB COc1cc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)o2)cc(OC)c1OC 89426628 GNNUULZSIPIJLZ-UHFFFAOYSA-N 436.490 2.623 0 40 IFAB CC(C)(C(=O)OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H](O)c1cccc(O)c1 89621101 OVVJSTGTGZKZOW-HXUWFJFHSA-N 426.469 2.526 0 40 IFAB CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 95100972 YWXSBLWPYAOGPT-OAQYLSRUSA-N 440.569 2.737 0 40 IFAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 96011737 BGSKLVSNAOEQGL-XPWALMASSA-N 427.589 2.688 0 40 IFAB Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243895 OUHPAWPBMHLXHW-IBGZPJMESA-N 438.532 2.567 0 40 IFAB Cc1ccccc1CCC(=O)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96263453 RMIBGESXJBARTM-UHFFFAOYSA-N 428.554 2.907 0 40 IFAB O[C@H]1[C@H](NCc2ccc(F)cc2)[C@H]2CO[C@H](O2)[C@@H]1N1CCC(Cc2ccccc2)CC1 96533294 OXMTTXYWPJXZMT-UUFXTFJOSA-N 426.532 2.723 0 40 IFAB biogenic,in-vitro CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4c[nH]c5c(OC)cccc5c4=O)C3)cc2n1 100138287 CSHWPLXPKLLBBE-AWEZNQCLSA-N 447.495 2.867 0 40 IFAB COC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100909467 HZISYXJDJJDMSV-WBVHZDCISA-N 442.269 2.665 0 40 IFAB O=C(Cn1c(=O)[nH]c2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccc(Cl)cc1 101270641 ZDFISHBZAYDNEP-UHFFFAOYSA-N 426.835 2.794 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCCCCC3)CC2)cc1 101463516 VNLLBJQDKFFWIE-BGYRXZFFSA-N 449.617 2.599 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223911370 QCRFHTZYAQEBRO-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)Cc1ccccc1F 224611703 AHAZGAZNZMLKEB-UHFFFAOYSA-N 447.532 2.852 0 40 IFAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2)CC1 225273082 YCNWBJJIIDQDJR-GOSISDBHSA-N 430.526 2.677 0 40 IFAB CCOc1ccc(N([C@@H](CC)C(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225275468 MQYMHGUKABYJHT-MOPGFXCFSA-N 448.541 2.586 0 40 IFAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257209851 BSEABLRLPDMZTO-QFIPXVFZSA-N 431.487 2.935 0 40 IFAB CCn1cc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)c(C)n1 257266866 MEXAPUBVUAHQDO-KSSFIOAISA-N 449.349 2.759 0 40 IFAB O=C(CN1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)NCCc1nc2ccccc2[nH]1 257293560 QQCIURDTEPTNBL-FQEVSTJZSA-N 447.518 2.907 0 40 IFAB O=c1c2sccc2nnn1C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 390832357 YWZZGUMPFCYYMK-UHFFFAOYSA-N 444.460 2.898 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(Cl)c2)cc1 409028866 RUSRIDSOOALAKN-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 409058907 ZJZXDWTWQVNAMR-WFZBXURCSA-O 430.484 2.720 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 409062053 MQSJTNJFQJLYBJ-WSBKAMHLSA-O 448.474 2.859 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cc(C)ccc1C 409374868 ASWJLJZASOWWQL-SFHVURJKSA-N 435.484 2.896 0 40 IFAB O=C(Nc1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12)N1CC[C@@H](O)C1 504430163 NYNZQNWKBKUAII-KDOFPFPSSA-N 428.443 2.948 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncnc(CC)c3F)C2)c(C)c1 575413897 NVPVFBMVQBVQRN-HNNXBMFYSA-N 436.509 2.677 0 40 IFAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(C)c(F)c1)C2 585262202 MTXLADMLFRVOTK-NQHRYMMQSA-N 438.547 2.956 0 40 IFAB NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 812721 MMOOYYQHVDYWQN-UHFFFAOYSA-N 445.806 2.789 0 40 IFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1 2400855 SCBCGSKHDAOJBL-UHFFFAOYSA-N 425.464 2.639 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1=O 5192108 SBZANOSMZBLOIR-JNYXMARXSA-N 426.513 2.676 0 40 IFAB O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9464219 VSYIAAYVRLVSRH-UHFFFAOYSA-N 429.498 2.517 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 9530583 PMGPFKCUPNMGCZ-OAHLLOKOSA-N 444.538 2.933 0 40 IFAB COc1ccc(N2CCn3c(SCC(=O)NCc4ccc5c(c4)OCO5)nnc32)cc1 9574043 NIKNSUPTTXGPKH-UHFFFAOYSA-N 439.497 2.576 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2Cl)n2nnnc2N1 10232164 PHTAJZBGXUAOPG-MRXNPFEDSA-N 440.803 2.560 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2cc(=O)c(OCc3ccccc3)cn2C)CC1 12069856 CKYRUBDSGDCBKU-UHFFFAOYSA-N 433.508 2.935 0 40 IFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(c1)OCO2 12196761 VALOGFLROHNMQX-IBGZPJMESA-N 445.541 2.513 0 40 IFAB C[C@@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)N1C(=O)CSC1=O 12219774 DQPZBSOVHXTOIN-BLLLJJGKSA-N 425.514 2.752 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2CO)c(OC)c1 12231084 WWEGTWSKNPQBEO-UHFFFAOYSA-N 442.443 2.715 0 40 IFAB CN(CC(=O)Nc1ccc(O)c2ccccc12)S(=O)(=O)c1ccc2c(c1)OCCCO2 12801015 CMQJYZXEHUAUBK-UHFFFAOYSA-N 442.493 2.966 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12881399 DDPUUJZEVWKGHM-QGZVFWFLSA-N 443.569 2.517 0 40 IFAB O=c1c(N2CCOCC2)nc2cc3c(cc2n1CCOc1ccc(Cl)cc1)OCCO3 12922436 HUJGVHQAVFHZNE-UHFFFAOYSA-N 443.887 2.737 0 40 IFAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc(C)c(=O)n4N)cc3)sc2c1 13112626 KOFZPLUOXZTHFK-UHFFFAOYSA-N 438.538 2.976 0 40 IFAB CC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 13501830 GNWNKMMGFGJSNR-UHFFFAOYSA-N 446.529 2.581 0 40 IFAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 14000257 SJLNDOZZKWEACK-MHZGPWMTSA-N 425.529 2.649 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CC1 15563147 IZLKXUOQIGWBCF-UHFFFAOYSA-N 445.541 2.734 0 40 IFAB COc1cccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 16742497 VJPCELBSBWVQAO-QGZVFWFLSA-N 449.525 2.551 0 40 IFAB CCCCC(=O)N1CCN(C(=O)c2cn(CC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 16838967 DFEAKZQYSWBUQO-UHFFFAOYSA-N 435.528 2.633 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 19085983 YKAZODJALLMSSA-KRWDZBQOSA-N 439.560 2.872 0 40 IFAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]c2=O)C1 19499106 SYTOIONITOBTMB-HXUWFJFHSA-N 440.519 2.890 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 19501662 RTBXGLBDGAOCFA-IBGZPJMESA-N 426.492 2.961 0 40 IFAB CCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 19529748 FNDRMHMJFIHCSU-VKDGWMQASA-N 438.455 2.800 0 40 IFAB Cc1c(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4nccc5ccccc45)o3)C2)cnn1C 19553898 OZFSFMQLTDXLCI-MRXNPFEDSA-N 438.513 2.895 0 40 IFAB CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CCN(C(C)=O)C2 19707402 IORVEGHSJTXWDJ-FQEVSTJZSA-N 443.573 2.566 0 40 IFAB Cc1nc(CC2CCN(C(=O)Cc3c(C)nc(C)nc3O)CC2)cc(N2CCCCC2)n1 19758413 CJAGEFWWZXLNLA-UHFFFAOYSA-N 438.576 2.912 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCN1CCOCC1 20308077 XXPVEFJOZPRZCS-HXUWFJFHSA-N 426.419 2.949 0 40 IFAB CN(C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1C(=O)NCc1ccco1 22779682 CRKONUXXBHTDJZ-UHFFFAOYSA-N 446.551 2.990 0 40 IFAB C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(S(N)(=O)=O)cc1 23445678 XNFPJPWNDVWQIQ-HNNXBMFYSA-N 448.504 2.524 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1 24257724 ZMTRMDLQRJOONX-UHFFFAOYSA-N 439.537 2.918 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl 24985635 DMDPKWGVWFHMSZ-BONVTDFDSA-N 433.313 2.694 0 40 IFAB CN1C(=O)Cc2cc(-c3csc(CN4C(=O)c5ccccc5S4(=O)=O)n3)ccc21 25317707 IBYQANMRLNOERC-UHFFFAOYSA-N 425.491 2.674 0 40 IFAB Cc1cc(=O)c(C(=O)NCc2cccc(C(N)=O)c2)nn1-c1cccc(C(F)(F)F)c1 25333517 FCZWLIGXHGNWLQ-UHFFFAOYSA-N 430.386 2.589 0 40 IFAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109780 RBBFNKKZAJZBQB-HNNXBMFYSA-N 448.416 2.699 0 40 IFAB C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CC2)cc1 31397948 UVRNANPPYOFGDI-NSHDSACASA-N 434.290 2.998 0 40 IFAB COC(=O)CCCN(C)C(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 32278112 WWZAYJXVHCHCBX-UHFFFAOYSA-N 438.590 2.733 0 40 IFAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCCCNc1ccc(C(F)(F)F)cn1 40153078 MOKAXGKCRSMTCD-UHFFFAOYSA-N 446.433 2.715 0 40 IFAB CC(C)(C)OC(=O)N1[C@H](CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)COC1(C)C 40157832 RKVIBYRGJTUSHT-OLZOCXBDSA-N 447.579 2.511 0 40 IFAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 48367758 MQUJGMWEDSNEDD-UHFFFAOYSA-N 429.402 2.884 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccc(-n4cncn4)nc3)CCCC2)cc1C 58051957 HDYRNZDNEBAHMB-UHFFFAOYSA-N 439.541 2.682 0 40 IFAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 58167779 BHNUJWGKKIVIAT-CYBMUJFWSA-N 433.421 2.817 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 60839036 MKQKVFXCKOJWAT-UHFFFAOYSA-N 427.482 2.830 0 40 IFAB COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 65086250 WDSDNKXQLGMCAV-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C5CCNCC5)C4)nc32)cc1 72355734 ZVYYYUDXGOAGKX-LJQANCHMSA-N 435.572 2.814 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccccc1F 72371920 BPVDGALPSDRNLB-FQEVSTJZSA-N 448.502 2.767 0 40 IFAB O=C(CCCN1C(=O)CNC1=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393497 AYIONVJRMBFMIV-UHFFFAOYSA-N 444.551 2.550 0 40 IFAB Cc1cc(CN(C)C)cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 89585364 GSZPGQXPSIRMMK-UHFFFAOYSA-N 445.585 2.649 0 40 IFAB Cc1nc2cc([C@@H]3CCCN(C(=O)[C@@H](C)n4ncc5ccccc5c4=O)C3)nn2c(O)c1C 100723864 UGXANAPKZAVVSK-SJLPKXTDSA-N 446.511 2.729 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(F)cc3F)C2=O)cc1Cl 101388590 IPEPFJGXJIVCPH-SJORKVTESA-N 449.801 2.559 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 106020906 RPEYWJZYNISSLF-FBAVSBLXSA-N 425.485 2.504 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(OC)cc2)cc1 138875688 HDXKCNVFBPGJKE-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1OC 220239173 SISBUBVLKONBRW-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB COc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220343051 ZVQZAGKOIMOXJN-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 223895773 ITMMKUUFFZFMBM-LBPRGKRZSA-N 440.568 2.526 0 40 IFAB CCc1ncc(CN2CCO[C@H](c3cc(CCOc4cccc(OC)c4)n(C)n3)C2)cn1 257277325 NXMXIYKKGASINY-QHCPKHFHSA-N 437.544 2.976 0 40 IFAB O=C(c1ccccc1)N1C[C@@H]2NS(=O)(=O)c3ccccc3N(C(=O)c3ccccc3)[C@@H]2C1 306129662 IJDDWORJAQKCIK-PZJWPPBQSA-N 447.516 2.519 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(=O)c1ccccc1 408586519 ALGMWLDEACFKRR-UHFFFAOYSA-N 428.514 2.903 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408662732 XPJUVPKBAPWXPD-INIZCTEOSA-N 426.469 2.855 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cc(C)ccc2C)cc1 409028481 NRTPITYXVWPFHE-UHFFFAOYSA-N 443.569 2.531 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409144243 NQQAWEYLVRYHRZ-ZDUSSCGKSA-N 447.285 2.993 0 40 IFAB CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 409229214 LIIOKIAGOZEMIH-UHFFFAOYSA-N 447.395 2.781 0 40 IFAB CC(C)CN(CC(C)C)C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 3244756 WRPFDYBKKPSVPU-UHFFFAOYSA-N 432.970 2.644 0 40 IFAB C[C@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)N1CCN(c2ccccc2)CC1 8721476 VDGUDRHYWMXKPS-INIZCTEOSA-N 440.548 2.551 0 40 IFAB O=C(CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccccc12 8765090 PZBXBGYFAOJASA-IBGZPJMESA-N 448.479 2.661 0 40 IFAB biogenic COc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2=O)cc1 9056606 HHWKMPIFKLZHTK-OAHLLOKOSA-N 435.480 2.747 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccnc2Cl)C(C)C)c1 9128675 SLERZRKEFJQPJY-SFHVURJKSA-N 449.891 2.689 0 40 IFAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 9353494 NSRHBVGHTLYKPV-UHFFFAOYSA-N 441.912 2.818 0 40 IFAB COCCCn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21 9452274 NBWLPMXOYDSPEV-UHFFFAOYSA-N 434.452 2.975 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 9463076 SUKALRYKZSWVPQ-UHFFFAOYSA-N 442.475 2.967 0 40 IFAB CC(C)[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1nnc2ccccc2c1=O 9487683 RBMYETIOIJHULE-FQEVSTJZSA-N 425.920 2.991 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC2=NN=C(c3ccc4c(c3)OCCO4)CS2)c1 9493520 QLZIHJIDVLPXGO-UHFFFAOYSA-N 432.527 2.627 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc(F)c3)C2)c1 9673781 FHZSXBTVIHGXTJ-SFHVURJKSA-N 433.461 2.740 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C1 9692312 BCOAXJXRPNPEAS-GASCZTMLSA-N 429.952 2.613 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1 9730191 YUQFRZPKTSQXIJ-HXUWFJFHSA-N 440.452 2.732 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1 9748288 XHVRNTPDGGNIOS-QZTJIDSGSA-N 427.848 2.589 0 40 IFAB COc1ccc(Cl)cc1CN(C)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 10279863 YQSLFHIYKDJONW-UHFFFAOYSA-N 429.904 2.864 0 40 IFAB CCc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300703 YNEXMTNOJRTMJQ-UHFFFAOYSA-N 432.542 2.620 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H]1Cn1nnc(-c2ccncc2)n1 12142289 RSABHVWLKVIPIM-GOSISDBHSA-N 442.545 2.720 0 40 IFAB COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc1OC 12228515 YYZAPRSFLIDWJT-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 12508015 CDBMFZLIOPCXHI-UHFFFAOYSA-N 429.454 2.751 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2ncc3ccccn23)sc(C(=O)NC)c1C 12540770 BABMFYVBKIAUJK-UHFFFAOYSA-N 432.527 2.971 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1C 12568637 MBUXFVHYCBDZHD-JOCHJYFZSA-N 444.601 2.622 0 40 IFAB Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 12757599 OEXPRIXAGKZTAD-UHFFFAOYSA-N 427.530 2.943 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 13022759 AUGOBTSFZHQFIU-CYBMUJFWSA-N 441.347 2.944 0 40 IFAB Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=S 13071850 GNPBLZHZQROLAG-UHFFFAOYSA-N 447.561 2.721 0 40 IFAB O=C(CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@H]1CCCc2ccccc21 13234866 YLYQBCBKXCKGBO-LEWJYISDSA-N 434.496 2.657 0 40 IFAB CCn1c(CCC(N)=O)nnc1SCc1nnc(-c2ccccc2Br)o1 14117120 MHLIYJJTXALHJV-UHFFFAOYSA-N 437.323 2.821 0 40 IFAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1ccccc1-n1cnnn1 14184841 XQOMMTJXLGNOBC-UHFFFAOYSA-N 437.847 2.512 0 40 IFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 15591192 WRMIWUSJXUXCTJ-UHFFFAOYSA-N 446.960 2.508 0 40 IFAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccc(F)c1 18016930 ZZBZGHZSQCIWOL-NRFANRHFSA-N 445.516 2.930 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2nsnc12 19078474 CVIVZHXPOYNPNI-INIZCTEOSA-N 444.538 2.725 0 40 IFAB Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C2CCOCC2)CC3)c1 19234718 BMDZAODADLKPIK-QFIPXVFZSA-N 436.556 2.522 0 40 IFAB COc1cccc(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)c1 19697881 JVSUXDIKDALTOU-SFHVURJKSA-N 440.521 2.846 0 40 IFAB CC(C)(C)C(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700718 OQNSVHWQMRNMSY-UHFFFAOYSA-N 440.588 2.858 0 40 IFAB CCOC(=O)[C@@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccco1)C(F)(F)F 19939972 DJFJSOAUANDPAQ-LJQANCHMSA-N 444.406 2.681 0 40 IFAB C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 21830992 DCCIBUFGBYJWHI-CYBMUJFWSA-N 444.542 2.928 0 40 IFAB CCOc1ccc(Nc2nnc(SCc3ccc(OC)c(OC)c3)n(N)c2=O)cc1 28535963 PJDPHKPIDAMNDU-UHFFFAOYSA-N 429.502 2.804 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCn2c1nc1ccccc12 30661338 COQBWCZHAPLYPG-UHFFFAOYSA-N 446.479 2.762 0 40 IFAB COC(=O)c1sc(NC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)nc1C 31812682 VXESNMMCUXUFMQ-UHFFFAOYSA-N 428.470 2.812 0 40 IFAB CCCCn1c(CN2CCC[C@@H](C(N)=O)C2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 32836041 QMSVLIUFCJGZPQ-QGZVFWFLSA-N 449.621 2.564 0 40 IFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)C(F)(F)c2ccccc2)c(=O)[nH]c1=O 32932086 KRYQXVAMWLYUGT-UHFFFAOYSA-N 432.427 2.837 0 40 IFAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 40946207 IPSAKZPRSODLDB-CQSZACIVSA-N 428.470 2.692 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(-c1ccccc1)cn2C 67235332 WENJFPUXQKBUFM-GOSISDBHSA-N 444.535 2.843 0 40 IFAB Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 67322556 JLQXTHJLAQDEAB-UHFFFAOYSA-N 429.383 2.527 0 40 IFAB COc1ncc(C2(O)CCN(C(=O)c3c(-c4ccccc4F)noc3C)CC2)c(OC)n1 72337549 MRYMRRSSDOPQFV-UHFFFAOYSA-N 442.447 2.720 0 40 IFAB Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 79494597 PQPDFUBBXVELTN-AWEZNQCLSA-N 442.878 2.667 0 40 IFAB COc1cccc([C@@H]2[C@H](C(=O)N[C@@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 95463665 OOKYKCHLJIJJKX-POCHDABASA-N 435.524 2.568 0 40 IFAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)C(C)(C)OC)CC3)[nH]c2C(N)=O)cc1 100687893 NZBWZHNALXYJPU-FZNQNYSPSA-N 428.533 2.999 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 103198199 LFFNCRXJJOZIAT-XJWJWMFXSA-N 440.503 2.770 0 40 IFAB COc1ccc(CCCNC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 222605417 KKWVDJNMTPZSAZ-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)O2 224473704 GPUOYCYWVPFBET-KRWDZBQOSA-N 428.432 2.857 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1)c1ccc(Cl)cc1 224852320 PZNPAUILPLNENY-UHFFFAOYSA-N 438.874 2.973 0 40 IFAB CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2CC)S(C)(=O)=O 225083506 CVBKJEAZIFASRW-UHFFFAOYSA-N 449.554 2.886 0 40 IFAB CC(C)Sc1nnc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)s1 225603194 GQKSUIROKSNOCJ-CYBMUJFWSA-N 428.561 2.594 0 40 IFAB CC[C@H](OC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3C)C[C@@]23C=C[C@H]1O3)C(=O)NC(C)(C)C 245227601 PYTPVJGHIUBBRS-MMSOTJHASA-N 440.540 2.826 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCCN1CCCCC1)NC2=O 247927539 DYVVCCMTIVNOEC-JJLPPOTMSA-N 427.545 2.552 0 40 IFAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(C(=O)CCN3CCOCC3)CCO2)n1 257214769 CNJKHHPJLZYPBV-HXUWFJFHSA-N 445.589 2.829 0 40 IFAB CCN1CCN(C(=O)CN2CCCC2=O)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257313899 UUPMHATUXWYUSY-QFIPXVFZSA-N 437.515 2.717 0 40 IFAB COC[C@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 408630417 UFWGMLFXYMAKKI-AWEZNQCLSA-N 426.922 2.695 0 40 IFAB Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)cc1 585283512 RLKJQPSAUONFGL-RUZDIDTESA-N 444.547 2.608 0 40 IFAB Cc1ncncc1C(=O)N1CCOc2ccccc2Oc2ncccc2C(=O)N(C)CC1 643566708 ICMKQEFJMMUICN-UHFFFAOYSA-N 433.468 2.579 0 40 IFAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)Cn2cnc(C3CC3)cc2=O)C1 1889149067 RQOLFYJUYRMNIM-OAHLLOKOSA-N 435.450 2.662 0 40 IFAB COC1(CC(=O)N2CCO[C@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)CCC1 2055793392 WZFSNHBFHNPHIY-GJZUVCINSA-N 449.551 2.764 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1 3236815 IALBYCNCSKUTBF-UHFFFAOYSA-N 438.505 2.985 0 40 IFAB Cc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)s1 3351506 AYXLZAIBBAZVOR-QGZVFWFLSA-N 432.502 2.740 0 40 IFAB CCCCN(C(=O)CSc1nc2ccccc2o1)c1c(N)n(CCC)c(=O)[nH]c1=O 3535079 QOPPETZAPFSFMC-UHFFFAOYSA-N 431.518 2.595 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 5519917 RXEWNYZQGWEPRF-QXAKKESOSA-N 425.547 2.821 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 9155008 IBQQUQHSLKCGQX-UHFFFAOYSA-N 425.894 2.614 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2cccc(OC)c2)cc1 9252712 CBVNYEHHKTZPFY-HSZRJFAPSA-N 447.491 2.843 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCCC1 9356169 SNPWFFDXKVUGAR-UHFFFAOYSA-N 446.525 2.919 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9469344 BLMOAKSKNJNFTJ-INIZCTEOSA-N 435.571 2.624 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 9583430 NCUGECFYZBYNFZ-IBGZPJMESA-N 447.241 2.874 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2nn(C)c(=O)c3ccccc23)c1C 9765227 DSKRJHVSMVCCDJ-GOSISDBHSA-N 448.523 2.810 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 9765401 GEDTYDOZSQMPLS-UHFFFAOYSA-N 433.555 2.680 0 40 IFAB O=C(Oc1coc(CSc2ncccn2)cc1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9829328 BFLSGGQDOHYACM-CYBMUJFWSA-N 441.440 2.820 0 40 IFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 9884280 OKGTWNFABGPIEF-UHFFFAOYSA-N 444.484 2.829 0 40 IFAB C[C@H](Sc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9915983 KKHUXXYNFNOXKU-AWEZNQCLSA-N 426.510 2.979 0 40 IFAB COc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 10029384 OFMBLQBKERVJBB-UHFFFAOYSA-N 436.555 2.927 0 40 IFAB Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1 10271885 BKUKTBCNFWZOGB-UHFFFAOYSA-N 448.571 2.858 0 40 IFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F 10640329 UPSNVVZEOPJQCO-NSHDSACASA-N 442.474 2.921 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]([C@H](NC(C)=O)c3nccs3)C2)cc(OC)c1OC 12157879 FKXYTPGULVBQGC-KDOFPFPSSA-N 433.530 2.899 0 40 IFAB O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)c1cccs1 12602418 XEZQMBDLIYZSMU-SESVDKBCSA-N 431.627 2.795 0 40 IFAB biogenic,in-vitro CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 12934154 ORFWADDORSJJBW-UHFFFAOYSA-N 432.402 2.720 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)cnc2ccccc21 15934910 YKAXUOJALAKHKS-UHFFFAOYSA-N 443.301 2.565 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 15957250 FCLQEBBGCJACSS-GHCZAOPSSA-N 435.549 2.982 0 40 IFAB biogenic COc1cc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 16742214 XLDYTSAKGJUQFV-HNNXBMFYSA-N 439.555 2.912 0 40 IFAB O=C(COC(=O)c1ccc2ncsc2c1)NCC(=O)Nc1ccccc1Br 18251190 UXNGJYIECJUVEK-UHFFFAOYSA-N 448.298 2.971 0 40 IFAB CCCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502673 HZLVBFKKBZIRBW-XZOQPEGZSA-N 433.552 2.872 0 40 IFAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694135 SCTLJBJGWQRIPC-KRWDZBQOSA-N 426.546 2.511 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 19695226 SPKNSLVVQRZNMW-LJQANCHMSA-N 437.544 2.584 0 40 IFAB COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc(OC)c1OC 22582357 GNODLOPCAVCJJL-HXUWFJFHSA-N 427.545 2.739 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 23134960 NZCOBIFTPGHFHG-UHFFFAOYSA-N 426.908 2.672 0 40 IFAB NC(=O)Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccco1 23347955 ARCJXOFBZPLUKF-UHFFFAOYSA-N 436.291 2.517 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 24985869 WFJVKVQPMOFNAY-FQEVSTJZSA-N 444.553 2.917 0 40 IFAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cn(Cc2ccccc2)nn1 25143094 UUVCENUQUYDTLI-UHFFFAOYSA-N 431.452 2.797 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC3 28059398 DRNOVRDGDJTWPE-UHFFFAOYSA-N 427.482 2.660 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2C)cc1C 40074588 HGJZMXNODNUTPI-UHFFFAOYSA-N 431.558 2.708 0 40 IFAB O=C(CCC(=O)N1CCOCC1)NC[C@H](c1ccccc1)N1CCc2sccc2C1 40108140 FXHFOGHOJFDJCY-HXUWFJFHSA-N 427.570 2.603 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(OC(F)F)c(OC)cc2C(=O)O)cc1 40115198 ODOOJKGOCAFQPR-UHFFFAOYSA-N 445.396 2.972 0 40 IFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O 44839920 AQODEMMESNKBTA-INIZCTEOSA-N 439.512 2.510 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@H]1c1ccccc1 57414286 UXLYCZDROSVHAI-NRFANRHFSA-N 440.931 2.943 0 40 IFAB COc1ccccc1NC(=O)[C@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 61717468 ASNKPJYSRCIXRC-HNNXBMFYSA-N 434.452 2.502 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204958 XGDJGRJGSRPMHZ-JOCHJYFZSA-N 438.503 2.737 0 40 IFAB CCn1c(=O)n(CC(=O)Nc2ncc(I)cc2C)c2ccccc21 72304678 RPQVIRFSDRXUKZ-UHFFFAOYSA-N 436.253 2.770 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cn3cccnc3n2)C1 72352250 MGKTWWWTASZGEC-OAHLLOKOSA-N 449.536 2.950 0 40 IFAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 77200708 WYYCXMMMAYMVCB-UHFFFAOYSA-N 449.554 2.544 0 40 IFAB O=C(C1CCCC1)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CC4)nn3c(O)c2C1 100243331 ADABWLQPLOQENR-HXUWFJFHSA-N 437.544 2.973 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5cccc(C)c5)no4)[C@H]3C2=O)cc1 101272709 PAFHNTUNYWMQQJ-RTBURBONSA-N 432.440 2.937 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c(OC)c1 138836889 XWCDQGZQHCNGLJ-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220626882 NNEJUIQBQRKBKN-NRFANRHFSA-N 434.558 2.997 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1Cl 223155111 HLCFOVTVNSNJPP-UHFFFAOYSA-N 435.933 2.867 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 223961223 NNZGGFDRLTVQSE-GOSISDBHSA-N 429.586 2.817 0 40 IFAB COc1ccc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)cc1C(=O)NC(C)C 224617145 DJEHLUHHRIFVPJ-UHFFFAOYSA-N 445.585 2.908 0 40 IFAB Cc1nc2ccccn2c1-c1nnc2sc(CCN3C(=O)c4ccccc4C3=O)nn12 227143923 AUAYACYOWLJTMF-UHFFFAOYSA-N 429.465 2.648 0 40 IFAB Cc1cc(OC2CCN(C(=O)[C@H]3CCCN3c3nc4ccccc4o3)CC2)cc(=O)n1C 238960367 YKEKWTIMUCCGOI-HXUWFJFHSA-N 436.512 2.874 0 40 IFAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)c1cccc(Cn2ccnc2)c1 257284339 PCGPTVZYLUYBPC-RUZDIDTESA-N 442.523 2.588 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1 257343984 ZVGCRXTUNDEGRU-UHFFFAOYSA-N 426.502 2.587 0 40 IFAB CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc3)C2)CC1 520743529 DIFZLYYVKMSYLY-XMMPIXPASA-N 449.599 2.903 0 40 IFAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 585261883 IZBSCRDQLQNXMT-DEOSSOPVSA-N 426.532 2.969 0 40 IFAB NC(=O)c1cn(C2CCN(C(=O)c3ccc(Br)cc3C(F)(F)F)CC2)nn1 1147535403 NHCVTAHBWQIXGI-UHFFFAOYSA-N 446.227 2.636 0 40 IFAB Cn1cc(C(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)c(C(F)F)n1 1775995180 GPCTULNGZPFINW-SNVBAGLBSA-N 430.253 2.841 0 40 IFAB O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 591665 KTXKZCCZSRAHIW-UHFFFAOYSA-N 447.516 2.998 0 40 IFAB aggregator COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)cc1OC 1324871 SBMGTCGEWZXNAX-UHFFFAOYSA-N 444.509 2.748 0 40 IFAB COc1ccc(CCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC 3006014 HNTXHDWHMYPZDI-UHFFFAOYSA-N 427.888 2.940 0 40 IFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3OC)cc2)CC1 4121634 HRAJEEJZMAUYCB-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nnc2ccccc21 5298437 IAUJNFVWLVIKRB-UHFFFAOYSA-N 425.489 2.704 0 40 IFAB CC(C)CCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 6133989 VQQAUBMSYGRNIH-UHFFFAOYSA-N 431.562 2.757 0 40 IFAB O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9112891 YEEGLBSJSOXUPW-RBBKRZOGSA-N 429.538 2.927 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)CC1 9428040 HWWASTCPVFESFO-UHFFFAOYSA-N 427.486 2.805 0 40 IFAB O=C(OCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9439376 RKXBDVMOBBIDQO-UHFFFAOYSA-N 426.856 2.989 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)cc1OC 9507637 ASSMSLYHROQMGH-UHFFFAOYSA-N 426.454 2.831 0 40 IFAB Cc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 9519618 CBQXRMSFIHXGLZ-UHFFFAOYSA-N 439.537 2.985 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 9575323 UQPDMBZERAILAU-UHFFFAOYSA-N 438.513 2.684 0 40 IFAB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 9741618 NVAZNPRVAGTTLP-HNNXBMFYSA-N 426.585 2.890 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H]1c1ccc(OC)cc1 9764365 RPYHOAZVWPIQLN-UNMCSNQZSA-N 437.544 2.524 0 40 IFAB Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccccc5N)c(C)c(C)n34)n(C)c2=O)c1 10233675 UAUDJJFLPVTVDS-UHFFFAOYSA-N 428.496 2.694 0 40 IFAB CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11858218 LNJHCBBPNFIXJL-CQSZACIVSA-N 438.527 2.587 0 40 IFAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)N1CCCC1 12683970 NLVUJZPDVBGXQN-QGZVFWFLSA-N 448.585 2.520 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(Cl)cc1C 12801165 JTOUFUAALSFYCU-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CCc1ccc([C@H](C)NC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 13062723 LSTBNTQNWZZOEF-SFHVURJKSA-N 434.540 2.669 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 13101335 CFLJKLAIKLVIQZ-UHFFFAOYSA-N 443.569 2.795 0 40 IFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 14244177 UDMDFYGBPUTXQD-MRXNPFEDSA-N 439.537 2.776 0 40 IFAB COc1cc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc(OC)c1OC 15734055 LCNZQKACLWBNOI-UHFFFAOYSA-N 433.486 2.732 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC 16678391 GRYDQRNKZRSMMD-UHFFFAOYSA-N 449.548 2.827 0 40 IFAB O=C([C@@H]1CN2CCC1CC2)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19293327 FCVIGRRBYCWMEU-SJORKVTESA-N 436.434 2.997 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 19522965 PVRHJQHVYVUQPP-QFIPXVFZSA-N 435.576 2.919 0 40 IFAB CNc1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19592376 RWMPBYOBDQZTDK-NQIIRXRSSA-N 426.540 2.828 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc(COC)cc1)CC2 19710294 ZROWVXWLXQJTJU-IBGZPJMESA-N 437.544 2.589 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)COc2cccc(N(C)C)c2)nc2c1CCC(=O)N2C 19741183 HTOOMGNNEKZIGH-FQEVSTJZSA-N 437.544 2.893 0 40 IFAB C[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 20452324 SJBHCQMSUPJXFI-OAHLLOKOSA-N 432.933 2.997 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3C)s2)cc1OC 20486701 YRHXPFJFLSNMII-UHFFFAOYSA-N 448.526 2.941 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 22524497 BDTQCJJZRDQGSJ-QGZVFWFLSA-N 430.555 2.651 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1 22771674 KJLGEKYFJFYNQY-RTBURBONSA-N 441.875 2.979 0 40 IFAB CCN1CCN([C@H](c2cc(OC)c(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1 22784317 LBWRMIADQHFHOV-QGZVFWFLSA-N 447.561 2.558 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Cl)C1 24995391 HBYIZPMVQLHVLW-OAHLLOKOSA-N 442.965 2.740 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1C 25606316 SUQIFCLOTQKNBJ-UHFFFAOYSA-N 432.527 2.681 0 40 IFAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 26993195 SZSLDUUSGYWISH-UHFFFAOYSA-N 433.917 2.925 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 28609557 AMHVIJNJYCQODJ-LJQANCHMSA-N 438.480 2.702 0 40 IFAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 30125130 QHLOYJZWUAOENJ-SFHVURJKSA-N 449.477 2.936 0 40 IFAB Cc1cccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 32958278 ZUPUOBWSICFTLD-BTYIYWSLSA-N 438.480 2.895 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC 36589890 JUTSJPMJJCXQLC-KNQAVFIVSA-N 434.496 2.860 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1 36628798 NBQILLSWQBGJQS-BTYIYWSLSA-N 447.557 2.950 0 40 IFAB O=C(CCNC(=O)NC1CCCCC1)NCCCCN1CCN(Cc2ccccc2)CC1 48356408 YMZKJIJFZWVPBE-UHFFFAOYSA-N 443.636 2.723 0 40 IFAB COc1cc(NC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc(OC)c1OC 57486189 JYLLNLKYVCEHBV-UHFFFAOYSA-N 441.528 2.726 0 40 IFAB Cc1cccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4F)CC3)nc2N)c1 67336407 QSJIZXKTHJWEGY-UHFFFAOYSA-N 427.505 2.666 0 40 IFAB CCn1nc(C)c(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c1C 72337177 CGQSAVQRTDSAQL-UHFFFAOYSA-N 426.565 2.783 0 40 IFAB CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 72345294 ANIMYFJAWLRIBN-QFIPXVFZSA-N 433.552 2.920 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)c3c(c1)OCO3)n2CC 89955465 ALCXKDUIFBUIHZ-UHFFFAOYSA-N 435.278 2.865 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=c3/o[nH]c(C)c3C)cc2)c(F)c1 95447950 JVXSVIIZMAMJQK-RELWKKBWSA-N 439.490 2.762 0 40 IFAB CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 96374750 NPQLWMMDJAYGQY-UHFFFAOYSA-N 430.411 2.735 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@@H]1CSCN1C(=O)/C=C/c1ccccc1 97124321 ACNPTVFJBCKZJN-ZJVMWOEPSA-N 436.533 2.729 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222371565 LNLFKUHVOVAQLW-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)s1 222702422 VAMNLGULKDFLCK-NSHDSACASA-N 430.577 2.840 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCOCC3)cc2C)cc1 224212870 QYJUYQYPASBJAL-UHFFFAOYSA-N 445.585 2.581 0 40 IFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(C)c2)c(C)c1 224658808 AEYCWDYCCUXHDQ-UHFFFAOYSA-N 435.498 2.857 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3cccc(F)c3)c2)C1 257311906 ULNMZAWTZJCKRB-QGZVFWFLSA-N 444.536 2.819 0 40 IFAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3cncc(Nc4ncccn4)n3)CC1)CO2 257313624 UTKBSXHSQGAZMA-GOSISDBHSA-N 446.511 2.976 0 40 IFAB Cc1nnc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1N 409166033 CDQOSUJZHIMUHT-UHFFFAOYSA-N 425.337 2.917 0 40 IFAB COC(=O)C1=NO[C@]2(CCN(C(=O)[C@@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)C2)C1 1635976064 HNRDCQGNFQBIPA-FDDCHVKYSA-N 443.500 2.582 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1C(N)=O 1775977710 KOANFYUDSFOHMN-KRWDZBQOSA-N 432.523 2.535 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 2616352 JQXYRKSZZZENKK-HXUWFJFHSA-N 448.292 2.714 0 40 IFAB Cc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccc(S(N)(=O)=O)cc2)cc1 2995514 PMEUTMTXQIVWDZ-LJQANCHMSA-N 429.523 2.755 0 40 IFAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCC(=O)OC(C)C)CC1 8747872 OZGCOCDJOSUQAM-IBGZPJMESA-N 439.940 2.613 0 40 IFAB COc1cc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8915757 SFEXMFXVTMJKGP-KRWDZBQOSA-N 437.489 2.681 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)c2ccccc2O1 9126795 UGEGDHDUDUBBTJ-QFIPXVFZSA-N 442.475 2.895 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)cc1OC 9216107 UEWMNFOWKUJGHP-BRYHAGSVSA-N 434.514 2.504 0 40 IFAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 9314103 AZOVDZLOQOITMF-QHCPKHFHSA-N 434.452 2.647 0 40 IFAB COc1c(F)c(F)cc2c(=O)c(C(=O)N3CCN(c4ccccn4)CC3)cn(C3CC3)c12 9482515 JUTLSWYBYJBHQH-UHFFFAOYSA-N 440.450 2.981 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9515125 IDGHJCLTNAKZMI-UHFFFAOYSA-N 442.493 2.802 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 9708131 DSOVBAUUUSPKTM-IBGZPJMESA-N 433.464 2.545 0 40 IFAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 9731495 OVVFCLRYGWLYHK-ZDUSSCGKSA-N 432.527 2.648 0 40 IFAB Cc1nc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1I 10003641 KABHBEDBPUKFCW-UHFFFAOYSA-N 441.250 2.850 0 40 IFAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)CCCc1ccccc1)CC2 10705498 CICLSZNLQBAELR-UHFFFAOYSA-N 446.569 2.531 0 40 IFAB CCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 11527521 XOFXOMOFSCIPHC-UHFFFAOYSA-N 445.512 2.946 0 40 IFAB Cn1c(=O)c2cc(C(=O)N3CCCc4ccccc43)n(Cc3ccccc3)c2n(C)c1=O 11845026 ASOGFQZWQYCTKE-UHFFFAOYSA-N 428.492 2.680 0 40 IFAB CCc1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3OC)c2=O)cc1 12413388 JYQLTMCDIBVCAU-UHFFFAOYSA-N 430.464 2.757 0 40 IFAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2ccccc2OCC(F)(F)F)c1=O 12736052 SOOBKSORVHFGDP-UHFFFAOYSA-N 437.296 2.546 0 40 IFAB CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12786634 KTOPAPYDHNDMBI-HNNXBMFYSA-N 442.516 2.540 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 12789447 UWVSJIFGXJMCKR-HNNXBMFYSA-N 429.542 2.670 0 40 IFAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)C1 12921460 IQFNKOUMCIJCIF-MRXNPFEDSA-N 434.489 2.581 0 40 IFAB CC[C@@H](C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12941726 ATLHVUAVXDZXAN-OAHLLOKOSA-N 446.573 2.677 0 40 IFAB C[C@@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 12989494 HSCQKJKMPDAPAZ-GDBMZVCRSA-N 445.545 2.905 0 40 IFAB O=S(=O)(Cc1ccccc1)N1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1 13073131 CCAYUIZOYUYYDA-UHFFFAOYSA-N 429.571 2.508 0 40 IFAB COC(=O)C1CCN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 13668855 BDFMSMXEHLIETK-UHFFFAOYSA-N 430.954 2.606 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCO2 14196508 IGLGGJFFMDGDDU-HXUWFJFHSA-N 448.497 2.518 0 40 IFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 16263565 DLUXIWTYVPBHOL-UHFFFAOYSA-N 449.488 2.643 0 40 IFAB CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 19116974 GIGNYQOLKCZXFV-GOEBONIOSA-N 425.455 2.923 0 40 IFAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4cnc(C)cn4)CCO3)c2)cc1 19212770 KJMKJRWMWYZFHI-RUZDIDTESA-N 430.508 2.700 0 40 IFAB CCc1noc(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(C)cn3)CC2)n1 19747124 VFTIOXUCRHOUJY-IBGZPJMESA-N 440.548 2.597 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)C2)ncc1C(N)=O 19763701 NBMQWUFAKMCPHW-AWEZNQCLSA-N 440.935 2.763 0 40 IFAB COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC 20023555 NGQVGSGSTVYBNZ-UHFFFAOYSA-N 434.558 2.887 0 40 IFAB CN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(S)nc3c2)CC1 20645387 KZCCOJSSVNZXEE-UHFFFAOYSA-N 428.945 2.775 0 40 IFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCS[C@@H]1c1ccccc1F 22793198 XXPZGNCQMBREIU-HSZRJFAPSA-N 443.544 2.946 0 40 IFAB C[C@H]1Cc2cc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)ccc2N1S(C)(=O)=O 26162046 AGKHMJSRVDKRHV-CABCVRRESA-N 428.510 2.532 0 40 IFAB COc1cccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)c1 33249423 DLKKOEPBRTZNHH-UHFFFAOYSA-N 430.457 2.688 0 40 IFAB CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccc(O)cc3)C=C(C)C[C@H]2O)[C@]1(O)C(C)C 35271441 KHLABRVSJLTKHQ-QIDUPKOMSA-N 432.513 2.974 0 40 IFAB biogenic,in-vitro Cc1nc(NC(=O)CCn2cnc3c(C)cccc3c2=O)sc1-c1nnc(S)n1C 40059522 AHBSYVBVNWVCJQ-UHFFFAOYSA-N 441.542 2.583 0 40 IFAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(Br)cc1 48302720 BOFIKHYGYVRJKI-SFHVURJKSA-N 428.286 2.863 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)N(C)C3CCCCC3)n2C)cc1 48513724 XISVHBVBMSUTRD-UHFFFAOYSA-N 431.562 2.888 0 40 IFAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335763 FICXEOCXBLCWRV-UHFFFAOYSA-N 431.518 2.920 0 40 IFAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1OC 71283096 KIUVYIQACJUHDL-OCCSQVGLSA-N 435.502 2.701 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1OC)n1cccc(-c2nc(-c3cnccn3)no2)c1=O 90592145 CBSUZQIYDSEKKX-KRWDZBQOSA-N 432.440 2.954 0 40 IFAB O=C(CC1CCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251398 YGDXFVKOFMNOEF-RDPSFJRHSA-N 425.577 2.628 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 101169714 INQUKAOOEJSHBI-ZWKOTPCHSA-N 429.839 2.973 0 40 IFAB COC(=O)c1cn(C(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c2ccccc12 222647001 QPKCHRDPCOUBDQ-UHFFFAOYSA-N 444.509 2.960 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccccc2Cl)S(=O)(=O)N(C)C)c1 224186920 MTXCIICZFRNWQB-UHFFFAOYSA-N 439.965 2.765 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225668764 SPFYFFPCMUJHBA-UHFFFAOYSA-N 435.571 2.808 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1 226752980 IHXXUYLRKPHNLJ-UHFFFAOYSA-N 431.539 2.760 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 247797274 DFGLLSRSIKNJDJ-HQSBFWBVSA-N 449.507 2.519 0 40 IFAB NC(=O)Cn1cc(C(=O)N2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)ccc1=O 257337912 YUZOIAZXDABWCN-JTHBVZDNSA-N 444.535 2.519 0 40 IFAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 260710461 HLPQFECKZSEUTL-AWEZNQCLSA-N 429.546 2.979 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 260740906 ALLZUHRFTDDIQT-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB O=S1(=O)c2ccccc2O[C@@]2(CCN(Cc3ccccn3)C2)CN1Cc1ccccn1 306143090 XTERSULCTFKIQK-HSZRJFAPSA-N 436.537 2.705 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NC[C@@H]1CCCO1 408597603 ZOHCFOFAIMTINX-HNNXBMFYSA-N 442.896 2.954 0 40 IFAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1nc2c(cc1=O)CCCCC2 524730977 FIRDITIOSQAVEQ-JTHBVZDNSA-N 444.620 2.642 0 40 IFAB biogenic COCCCOc1ccc(C(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)cn1 553920148 BUDVKEBDNTUWEN-UHFFFAOYSA-N 432.546 2.607 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147570 YWWKCXZRMKGIEC-HSZRJFAPSA-N 431.492 2.989 0 40 IFAB CCn1c(CCCC(=O)N(C)C[C@]2(O)CCCN(c3cnccn3)C2)nc2ccccc21 2037880161 KGKMUWGPIGEUGY-XMMPIXPASA-N 436.560 2.659 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Br)cc1 3540540 NXFMTIXZXZXGLL-GFCCVEGCSA-N 426.336 2.556 0 40 IFAB Cc1cccc(N(CCCC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 8049778 ZPAFRRCMWZZYBE-UHFFFAOYSA-N 429.586 2.886 0 40 IFAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1C 9243484 NYYMMDAAQRNLNK-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1 9647108 PCASEEHYVSQHJV-UHFFFAOYSA-N 441.509 2.884 0 40 IFAB COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1F 9661059 VFJQXZDTAQDOGS-UHFFFAOYSA-N 437.880 2.690 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1Cl 9674480 SFHMKYVPEYZSNF-ZWKOTPCHSA-N 427.848 2.589 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(Cl)cc3)CC2)cc1 9849580 MEANANZQYKLINR-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 9884800 UWHMMZKHRJIQGL-QFIPXVFZSA-N 444.491 2.891 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 9974514 AWXMNUUGIDGHNF-SFHVURJKSA-N 432.542 2.729 0 40 IFAB CCn1c(C)cc(O)c(C(c2ccc(O)c(OC)c2)c2c(O)cc(C)n(CC)c2=O)c1=O 10217744 OOLHUFOWPRRKGU-UHFFFAOYSA-N 440.496 2.972 0 40 IFAB CS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1 10252854 QHIUFLSKAJZKCS-UHFFFAOYSA-N 433.530 2.730 0 40 IFAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1 10272570 UGLBJDVSDOXZMD-UHFFFAOYSA-N 427.482 2.989 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2)C[C@@H](C)O1 11085926 CXLJJRZYIWRXOT-HDICACEKSA-N 432.542 2.683 0 40 IFAB COc1ccc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 11133255 SCURWYPNUOIIOJ-OAHLLOKOSA-N 435.498 2.521 0 40 IFAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719796 IZEARZACYLPZOP-LBPRGKRZSA-N 429.514 2.796 0 40 IFAB COc1cccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@H]2CCCO2)c1 12525346 CAZUEYYYNSYJAS-LJQANCHMSA-N 432.480 2.789 0 40 IFAB O=C(Cc1cn2ccsc2n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12548317 BROKDTSTCWLVLJ-UHFFFAOYSA-N 440.550 2.625 0 40 IFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CCC(C)CC1)S(C)(=O)=O 13612408 FNVJJYPWOPGJJD-INIZCTEOSA-N 446.013 2.741 0 40 IFAB O=C(CCn1ccc2ccc(F)cc21)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 13690665 MJLCLPFFKWUEBS-JOCHJYFZSA-N 437.471 2.681 0 40 IFAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 14333583 DVUMDQULNYOVSO-NFBKMPQASA-N 437.540 2.946 0 40 IFAB COC(=O)c1cc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)ccc1Cl 14398480 NMWCMCVUBLKHQD-UHFFFAOYSA-N 440.905 2.536 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(c2ccccc2F)CC1 15433389 MKIIAWNSPUCHKO-UHFFFAOYSA-N 431.533 2.881 0 40 IFAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 17727027 KFZZDEZGMOJHAL-UHFFFAOYSA-N 437.525 2.672 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3C[C@@H](C)O[C@H](C)C3)C1)N2 19127831 LQTUUZBJSONWFR-HSFUPAIVSA-N 425.524 2.530 0 40 IFAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 19171525 PZSBHXCUDDXJAN-OTWHNJEPSA-N 442.313 2.993 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc(OC)c1OC 19549529 VKJFRDAMSYMBOU-KRWDZBQOSA-N 436.468 2.835 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(S(=O)(=O)N3CCCC3)CC2)n1 19695210 ZFGIGCBRWFOLNX-UHFFFAOYSA-N 433.553 2.869 0 40 IFAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(S(=O)(=O)c2ccccc2)C1 19703414 KSCHMOVYSZVRKZ-QFIPXVFZSA-N 425.510 2.711 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc(COC)cc1)CC2 19710293 ZROWVXWLXQJTJU-LJQANCHMSA-N 437.544 2.589 0 40 IFAB Cn1nc(C(F)(F)F)cc1C(=O)NCC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CCO1 19712078 AGURNHNESBMFDK-HIFRSBDPSA-N 445.463 2.580 0 40 IFAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308205 DIOKKQYCIXAFOX-JOCHJYFZSA-N 434.492 2.987 0 40 IFAB CCN1C(=O)[C@@](CN2CCN(c3cccc(Cl)c3)CC2)(NC(C)=O)c2ccccc21 20592197 CAHXVOBDVBGBKK-QHCPKHFHSA-N 426.948 2.860 0 40 IFAB CN(C(=O)COC(=O)CNC(=O)c1ccco1)[C@]1(c2ccccc2Cl)CCCCC1=O 21735388 PPCZMTZZKYTAIV-QFIPXVFZSA-N 446.887 2.703 0 40 IFAB CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)N(C)C)cc1 22684049 XDUVOUSIGPHKBH-QFIPXVFZSA-N 429.586 2.994 0 40 IFAB COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cc(C)nn3C)nc12 22768237 ZFVIOIXJEZMRPI-UHFFFAOYSA-N 449.964 2.979 0 40 IFAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24984751 UHVMLKFNIWZAAX-HNAYVOBHSA-N 430.530 2.777 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 25523910 ACKSHILIWIDDRQ-UHFFFAOYSA-N 438.449 2.945 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc(Cl)c2c(c1)OCO2 25888665 IEXVQHDZARTNLT-UHFFFAOYSA-N 428.919 2.845 0 40 IFAB c1ccc(-n2nnnc2N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 30520605 IJCGAHVAWZRIJP-UHFFFAOYSA-N 435.495 2.994 0 40 IFAB Cc1ccc(NC(=O)CSCCC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 32819618 PZYMRSMJOQGFDV-MRXNPFEDSA-N 449.598 2.924 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)N(c3ccccn3)C3CCCCC3)c2)CC1 34657472 MRUFZLPCOOJTCK-UHFFFAOYSA-N 442.585 2.997 0 40 IFAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCNCC2)c2ccccc23)cc1Cl 39380668 IPBDRBHWAYBXQQ-JOCHJYFZSA-N 442.972 2.791 0 40 IFAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1=O 40069467 VFBDIRKKCWYUQU-QHCPKHFHSA-N 436.556 2.949 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)N1C(=O)c2ccccc2C1=O 40158915 LQCUFJLJUWXCSI-OHDICMOHSA-N 446.569 2.888 0 40 IFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 44840546 OSJNBORMKQPJJD-KRWDZBQOSA-N 438.503 2.622 0 40 IFAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1nc(-c2cccc(F)c2)cs1 58413522 HKJXCKNHOJLGMP-UHFFFAOYSA-N 443.504 2.749 0 40 IFAB Cc1ccccc1NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 71328341 FCLLYCFPIXEMAC-UHFFFAOYSA-N 433.424 2.739 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 71334753 XFBVABZFYJPYLK-QGZVFWFLSA-N 434.468 2.966 0 40 IFAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228494 KMRUUISRXBKRFN-QGZVFWFLSA-N 441.915 2.828 0 40 IFAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(C(=O)COc2c(C)cccc2C)C3)c(OC)n1 100729195 XRCFRGSBFSPYFV-QZTJIDSGSA-N 441.528 2.636 0 40 IFAB O=C(NCC(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2)OCc1ccccc1 101323005 HFXVTDYWGUIVDW-RTBURBONSA-N 442.537 2.909 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1I 102881958 CUQKJLNRPOQWPH-TXEJJXNPSA-N 426.254 2.795 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(N4CCCC4=O)c3)ccc21 106309901 XOTLBVOJBUPLQV-UHFFFAOYSA-N 427.526 2.591 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c(Br)cc1O 106765464 YMUCOUUJZOKCSA-AUWJEWJLSA-N 441.303 2.822 0 40 IFAB CC(=O)c1ccc(N2CCN([C@H](C(=O)O)c3cn(CC(=O)O)c4ccccc34)CC2)cc1 110063231 RJWWOUFSNUNZHZ-QHCPKHFHSA-N 435.480 2.876 0 40 IFAB COc1ccc2c(C)c(CC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(=O)oc2c1C 208173643 SVIHOCZSGOJFBC-DLBZAZTESA-N 434.492 2.769 0 40 IFAB CCOC(=O)[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218226861 GZGANBDTTBPFOX-ZIFCJYIRSA-N 438.343 2.958 0 40 IFAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)ccc1Cl 223862363 XLTZCKGXWIOBRI-UHFFFAOYSA-N 436.917 2.728 0 40 IFAB CCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224466999 UGLYHWRSDAINKC-UHFFFAOYSA-N 445.585 2.730 0 40 IFAB C[C@@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224508834 SERNBCUYYCNDJW-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1NS(C)(=O)=O 225416172 GNNLRDGHIRGISR-OALUTQOASA-N 443.554 2.967 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)CC1)O2 248331773 HYQQCECCFQQJBM-PLGVSFSBSA-N 441.572 2.762 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCN2CCCCCC2)(c2ccccc2)CC[C@@H]1O 257257625 KQLUGOJJCIGBQV-LSQMVHIFSA-N 429.605 2.746 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 408666966 IGUOOSHMBQLTID-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB CN1CC[C@](O)(CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 545153333 HAMTZLLWCYINFN-IBGZPJMESA-N 442.869 2.830 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 575606639 OGEHANQLBNLLQH-UHFFFAOYSA-N 446.429 2.711 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(CC1CCOCC1)CC2 1549166447 DKVRMEHXSHUXDV-JOCHJYFZSA-N 427.589 2.984 0 40 IFAB COc1ccc(CN2C(=O)CO[C@@H](C(=O)Nc3cc[nH]n3)[C@H]2c2ccccc2)c(OC)c1 1565519409 OLUXFMXTUWBQJZ-FGZHOGPDSA-N 436.468 2.534 0 40 IFAB O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NC[C@@H]1CCCO1 2459549 SGWJMKCMBVABEB-AWEZNQCLSA-N 437.974 2.921 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)c1ccncc1 4236206 BSMPGNLWFODRAI-FUHWJXTLSA-N 435.528 2.957 0 40 IFAB biogenic,in-vitro CCCCOc1c(NC(=O)CN2CCOCC2)cccc1C(=O)OCCN(CC)CC 4791969 QPKNILMQBRRTMF-UHFFFAOYSA-N 435.565 2.635 0 40 IFAB CC(=O)N[C@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 8765126 QPPZFMUEXZZDBD-DJBJKVAOSA-N 435.476 2.923 0 40 IFAB biogenic Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 8966260 QKNBKQUCZPMWLR-UHFFFAOYSA-N 432.509 2.776 0 40 IFAB Cc1nc2c3c(C)c(C)sc3nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)n2n1 9052105 GELBNGFOMYWFHI-UHFFFAOYSA-N 442.570 2.775 0 40 IFAB O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1)N1CCOCC1 9238526 ACZXBTYKWZKKES-ZWKOTPCHSA-N 425.489 2.702 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)CC2)cc1 9308318 LRVIFVMVFGRBHO-JHDZUBBNSA-N 434.602 2.986 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cncn1-c1ccc(F)cc1 9467102 IXNDUASGGFJGJM-UHFFFAOYSA-N 438.444 2.855 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H]1CCCc2ccccc21 9575926 QNHJKSFZMGHCFN-MOPGFXCFSA-N 435.480 2.810 0 40 IFAB O=C(COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)NC1CCCCCC1 9691214 CGGYPKMDMVTCFI-UHFFFAOYSA-N 432.542 2.890 0 40 IFAB CC(=O)Cn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(-c4ccccc4)cn23)n(C)c1=O 9713232 JRYWGJKTHDMZGP-UHFFFAOYSA-N 427.464 2.703 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCCC1 10119305 ANNOGDMQLPSSRK-UHFFFAOYSA-N 426.947 2.876 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]([C@@H](NC(C)=O)c3nccs3)C2)cc(OC)c1OC 12157871 FKXYTPGULVBQGC-RDTXWAMCSA-N 433.530 2.899 0 40 IFAB CCc1ccc(Cl)c(CC)c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12733079 OIROORXWODPTAW-ZDUSSCGKSA-N 425.938 2.569 0 40 IFAB CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 13154657 NTNFVQUAJMSDFP-DRMAHVMPSA-N 427.291 2.615 0 40 IFAB COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N1CCOCC1 14244967 UGRASHWVZJVPHX-UYRXBGFRSA-N 436.464 2.586 0 40 IFAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 15589311 NCCSCUMUOSIPEM-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc2c(c1)OCO2 15882768 RDNIYOMVGYFHBQ-UHFFFAOYSA-N 425.466 2.833 0 40 IFAB COC(=O)c1cc(-c2cccc(NC(C)=O)c2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850584 DYPVXRZSVUFKAE-MRXNPFEDSA-N 442.497 2.511 0 40 IFAB O=C1CCC[C@]2(CN(C(=O)CCc3nc(-c4ccncc4)no3)C[C@H]2c2ccccc2F)N1 19368170 XQVXJRPRIKEOFG-MHECFPHRSA-N 449.486 2.868 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)CC3CCCCC3)[nH]c2=O)C1 19404975 WKRJEIPWQSBCJZ-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 19590961 HJJVFFQIALZUPU-JOCHJYFZSA-N 443.463 2.897 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 19693031 ULFUYRVJSGPDAG-GOSISDBHSA-N 440.479 2.573 0 40 IFAB COc1cccc(OC)c1C(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693746 ICSUNONGDKLQHP-OAHLLOKOSA-N 436.516 2.590 0 40 IFAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)c2ccccn2)n1 19701000 FJFSCXZAIAEIGQ-HNNXBMFYSA-N 434.475 2.845 0 40 IFAB CCS(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)CC3)C1 19738919 DJEICFLWGRWTJN-LJQANCHMSA-N 442.585 2.836 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)c(Cl)c1 20023257 NYMJAFLKEIZXAC-UHFFFAOYSA-N 434.848 2.560 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)[C@@H]1C 24456526 JWNYPAGYDVUNPH-INMHGKMJSA-N 431.562 2.557 0 40 IFAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 25261135 JNZAEQUMORBIFL-PIGZYNQJSA-N 440.472 2.787 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C(N)=O 26748012 DWBIXUIDENWIHJ-UHFFFAOYSA-N 427.448 2.624 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@@H]1c1ccc(O)cc1 28627742 YTOIQFASMRWDCQ-UBXANZILSA-N 434.517 2.812 0 40 IFAB COc1ccc2c(C)c(CCC(=O)NCc3cccnc3N3CCOCC3)c(=O)oc2c1 31328759 BUIVNHUANWIKTQ-UHFFFAOYSA-N 437.496 2.591 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)NCC[C@@](O)(c1ccc(C)o1)C(F)(F)F 31570550 XVNLGPVNCHEGTM-LJQANCHMSA-N 428.407 2.673 0 40 IFAB COc1ccc([C@H](CNC(=O)CN2CCN(C(C)=O)CC2)c2c[nH]c3ccccc23)cc1 35392791 GXTJKXCSYCQTHH-QFIPXVFZSA-N 434.540 2.589 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 38565401 SKVBSOAZLNQDKE-INIZCTEOSA-N 444.531 2.986 0 40 IFAB Cc1ccccc1-c1nnn(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)n1 40032240 BSDSLYNCMPIONA-MRXNPFEDSA-N 430.390 2.955 0 40 IFAB O=C(C1CCN(c2ncccn2)CC1)N1CCN(CCOc2ccc(Cl)cc2)CC1 40130636 JWZOMZMRQKYGAW-UHFFFAOYSA-N 429.952 2.570 0 40 IFAB Cc1oc(C(=O)NCCc2nccn2Cc2ccccc2)cc1S(=O)(=O)N1CCCC1 40153325 JQDMDQMCPGSFGU-UHFFFAOYSA-N 442.541 2.590 0 40 IFAB CCSc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4cccc(OC)c4)c3c2=O)n1 40398529 YPQJPEJQJKHDMZ-UHFFFAOYSA-N 434.485 2.643 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157930 FOMOXFIJVFWWSG-NHCUHLMSSA-N 426.513 2.740 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 61240769 BJWUMDQIFVKBJU-UHFFFAOYSA-N 438.509 2.514 0 40 IFAB CC(C)[C@H](CNC(=O)COc1cccc(S(C)(=O)=O)c1)N1CCc2ccccc2C1 70040832 GJXSNTLWYOVUEP-QFIPXVFZSA-N 430.570 2.668 0 40 IFAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1c[nH]c(=O)n(Cc2ccco2)c1=O 77099848 XBTFKTRWIWTTMO-UHFFFAOYSA-N 427.420 2.745 0 40 IFAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 78664220 HUURAYOCQSLEQO-GJZGRUSLSA-N 448.488 2.770 0 40 IFAB CN(C)CCCNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 96116294 CDNAUVZTWMCYCQ-UHFFFAOYSA-N 429.524 2.642 0 40 IFAB biogenic O=c1ccc(-n2ccnc2)nn1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 97164990 VXPSEVNMUXKFEG-FQEVSTJZSA-N 438.434 2.874 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC=CCC5)CC4)nn3c(O)c2C1 100243074 FKGALEAOZPVHJW-KRWDZBQOSA-N 437.544 2.792 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 102458782 UBRFORVCBVBPCG-NBOOPKSLSA-N 441.619 2.524 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)N(C)C 103439580 GIRBUONXRWSUBU-HLLBOEOZSA-N 449.573 2.674 0 40 IFAB CCN(c1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1)S(=O)(=O)CC 222401764 VSCVXNJZAMJTMV-UHFFFAOYSA-N 436.530 2.818 0 40 IFAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223329435 PNDRKZMCCBFXNT-JOCHJYFZSA-N 445.585 2.564 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)CN2S(C)(=O)=O 224165937 WBZLAILLAHGOML-LJQANCHMSA-N 438.933 2.679 0 40 IFAB COc1ccccc1OCCNC(=O)CCCN(c1cccc(C(C)=O)c1)S(C)(=O)=O 224850781 BLBNFMYSFVEKSP-UHFFFAOYSA-N 448.541 2.639 0 40 IFAB CCCN1CCN(C(=O)c2cc(C)nc(N)n2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 257211102 BXNAFKXSUZNZIE-JOCHJYFZSA-N 444.539 2.735 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 408593108 MKEHFCUGVBINFB-OAHLLOKOSA-N 439.940 2.803 0 40 IFAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408623813 PVQAAVQWBHVAQG-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)NCc1ccccc1 409339853 LRBJKYWWBRVNLD-UHFFFAOYSA-N 427.505 2.776 0 40 IFAB C[C@@H](NC(=O)CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)C1CC1 643558976 XUQMNHZADVEUFA-LJQANCHMSA-N 427.589 2.905 0 40 IFAB Cc1cc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)ccc1Cl 805037 PZXORSGSXCLCMW-UHFFFAOYSA-N 437.949 2.748 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)cc(C(=O)OC)c1 2631427 GGCGTVDPODBATC-IBGZPJMESA-N 442.468 2.662 0 40 IFAB CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccccc1OC 2723997 IPEJARCNNYSEBV-UHFFFAOYSA-N 440.525 2.790 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 3352651 KBNYENSTAKUXOM-KRWDZBQOSA-N 448.541 2.778 0 40 IFAB CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)N1 8764232 MUKRCJBRCWHPMC-QRQCRPRQSA-N 446.507 2.794 0 40 IFAB biogenic CC(C)[C@@H]1C(O)=Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 8770630 NXPBFYJZXGLYMJ-FXAWDEMLSA-N 438.484 2.641 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 8771585 INDOPHGVAARYPE-UHFFFAOYSA-N 434.924 2.738 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(=O)NCc1ccccc1 9157438 ZPYZYNJFSGGJRP-UHFFFAOYSA-N 444.557 2.608 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9191166 HAQUIHMLJIJNFQ-JKSUJKDBSA-N 445.541 2.764 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)c4cc(C)ccc4o3)CC2)cc1 9216920 NXGWFFWFSAHWOC-UHFFFAOYSA-N 440.521 2.947 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4OC)CC3)[nH]2)cc1 9426880 FRXBWQCIUHSXRE-UHFFFAOYSA-N 439.541 2.930 0 40 IFAB COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(F)cc4)n3N)[nH]n2)cc1 9541046 OQDABEKWPONKHP-UHFFFAOYSA-N 439.476 2.928 0 40 IFAB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1 9634376 XMSRYXSXBCAXBJ-UHFFFAOYSA-N 444.513 2.549 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9684244 MRNCKORQDNDJAT-OAHLLOKOSA-N 446.525 2.596 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 10231870 KRQQRFYFQCUUOV-KRWDZBQOSA-N 425.832 2.660 0 40 IFAB C[C@@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 11726652 BAPZIGHNHFKSOG-WBVHZDCISA-N 445.610 2.910 0 40 IFAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O 11905025 HOFJSAZRZFKUQE-NSHDSACASA-N 448.444 2.819 0 40 IFAB O=C(c1cccc(N2CCCC2)c1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089459 GSYPSWYVANWTRU-QFIPXVFZSA-N 440.569 2.869 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 12443470 LIHIKHLNPSZYDX-UHFFFAOYSA-N 445.932 2.712 0 40 IFAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 12468199 KYRGRLBASAZZSZ-FUHWJXTLSA-N 437.466 2.914 0 40 IFAB COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 12782606 TXCIYUMIYRFWMH-UHFFFAOYSA-N 429.951 2.626 0 40 IFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)/C=C\c1ccc2c(c1)OCO2 13010400 IDHOIGOPCGCIJL-ALCCZGGFSA-N 440.529 2.928 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1 14123361 CHGWYDNHPTZYFJ-UHFFFAOYSA-N 440.315 2.732 0 40 IFAB O=C(c1ccccc1SCc1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14229900 LLCFOCYTISFZCD-MRXNPFEDSA-N 436.624 2.985 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 14401294 UXNUMKHGXBAGOA-JXMROGBWSA-N 427.570 2.944 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 18100065 MFFQEXWTPQTBSI-UHFFFAOYSA-N 437.459 2.894 0 40 IFAB COc1ccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 19497310 CCYURNUAGQVJKK-IYBDPMFKSA-N 426.517 2.688 0 40 IFAB CCc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 19521898 RHYUZLBMCGNEHQ-SFHVURJKSA-N 432.509 2.960 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)CCc4ccncc4)C3)c2N)cc1 19558634 IVJWVASJFBAOJW-SFHVURJKSA-N 433.512 2.912 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2ccccc2OC)CCO1 19591869 VVSZIDJPZJOWDG-SANMLTNESA-N 445.519 2.957 0 40 IFAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNC(=O)c3nccc4ccccc34)n2)CC1 19709129 YJGSCYWWIOHAFQ-UHFFFAOYSA-N 448.571 2.649 0 40 IFAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNC(=O)c3ccc4ncccc4c3)n2)CC1 19709134 IMVXCSQQBZPXQE-UHFFFAOYSA-N 448.571 2.649 0 40 IFAB CNc1ncc(C(=O)N2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 19762212 MMHZIBCJOKYVPU-NRFANRHFSA-N 448.527 2.666 0 40 IFAB Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)c(=O)[nH]c2c1 19940936 LEHOKUQVEQJZAN-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 20308159 IYUSYRRHKAZMBJ-LJQANCHMSA-N 425.872 2.719 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1cccc(F)c1 22249318 FVGGDBYMYMOHMU-UHFFFAOYSA-N 428.869 2.518 0 40 IFAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1nc(N)nc(N(C)C)n1 24903985 NJXBUJJYZCPRDL-IUODEOHRSA-N 444.540 2.950 0 40 IFAB C[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 25171157 OUHGHXNERRXXLA-SJORKVTESA-N 440.537 2.561 0 40 IFAB Cc1cn2nc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)sc2n1 26706656 PPIGJWNVJMHEMV-UHFFFAOYSA-N 432.358 2.917 0 40 IFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 29597725 NQNDMFYMSMPCJL-GOSISDBHSA-N 439.512 2.512 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)OCCCCN2C(=O)c3ccccc3C2=O)C1=O 31329928 IGWLRPIBGBLONJ-MRXNPFEDSA-N 436.464 2.810 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 31893047 GJBSJALTLUFISK-LJQANCHMSA-N 443.910 2.927 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 35349131 FDSVQBYOIURSDC-UHFFFAOYSA-N 437.588 2.578 0 40 IFAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c(C)n1C1CC1 36387053 RUWMCWPOBKJGAT-UHFFFAOYSA-N 448.614 2.746 0 40 IFAB O=C(CCCNC(=O)c1ccccc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40105172 BXQUCQMEALHMRB-UHFFFAOYSA-N 429.480 2.693 0 40 IFAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 44903248 URDCAVQAYBAKQY-NRFANRHFSA-N 432.542 2.694 0 40 IFAB Cc1oc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1 48344214 UOGFYPQGRCWNOP-UHFFFAOYSA-N 428.514 2.830 0 40 IFAB COc1ccccc1N1CCN(C(=O)NCC(=O)Nc2nc3ccccc3s2)CC1 49551125 DDZDQYTWCVORNB-UHFFFAOYSA-N 425.514 2.775 0 40 IFAB O=C1CN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccncc2N1 72300966 PXDGAENOAJRQBK-JXMROGBWSA-N 440.525 2.645 0 40 IFAB O=C(c1ccccn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348009 HXAJFFRMMULYIZ-LJQANCHMSA-N 430.512 2.790 0 40 IFAB CCC(CC)[C@H](C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1)N1CCOCC1 95401838 KPLPXUXJMCIJLL-JOCHJYFZSA-N 443.548 2.606 0 40 IFAB CCCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96145876 SZYJIEVLAUGESP-OALUTQOASA-N 429.542 2.825 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)cc1 96241167 OGRAHOFVBGGFTO-LJQANCHMSA-N 434.583 2.790 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)s1 105553582 LYMWQTTVVWKIDO-GFEQUFNTSA-N 439.647 2.692 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 107760017 SBGXZAOXZABRML-HNNXBMFYSA-N 440.949 2.911 0 40 IFAB CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935726 KQTAJQABUFCAQB-ASYHVYMGSA-N 440.552 2.562 0 40 IFAB CCOc1ccc(N([C@H](CC)C(=O)NCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 220668059 BXUJJZONEKOQDS-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)Cn4nc(C)nc4C)CCO3)c2)c1 257331990 XVFVRZSPXHVFKB-HSZRJFAPSA-N 435.528 2.798 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408606357 OZOPIILOXFVDGC-UHFFFAOYSA-N 432.420 2.648 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408661107 LZLOZGMWNFGKBH-IGWOWPFTSA-N 439.295 2.896 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408682376 XWKQISDKNJSLAU-UHFFFAOYSA-N 425.457 2.509 0 40 IFAB CCN1C(=O)N/C(=C\c2cc(Br)cc(I)c2O)C1=O 409166009 BXMYLCIQHHEKHY-WTKPLQERSA-N 437.031 2.672 0 40 IFAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCC[C@H](c5nc(O)n[nH]5)C4)cc3C2=O)c1 517202280 DWTGGWYRLUOQIZ-INIZCTEOSA-N 445.479 2.948 0 40 IFAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@H](CN(C)[C@H]1CC[C@H](O)CC1)C2 585104181 MIKLMFKJMZNMBH-ACRUOGEOSA-N 436.618 2.790 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCCN(c4ccccc4)C3)n(C)c2)C1 604241446 QSJQNAZZHNSFDZ-MOPGFXCFSA-N 444.601 2.845 0 40 IFAB CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl 982915 JCNAMFIIWYWGFM-UHFFFAOYSA-N 442.368 2.963 0 40 IFAB CCC(=O)NCCCCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 2153764 FHQZGRFRWINRIQ-UHFFFAOYSA-N 428.533 2.982 0 40 IFAB biogenic CCn1nccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl 2794207 ANXKPAQFWJWDMB-UHFFFAOYSA-N 431.345 2.924 0 40 IFAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C(=O)O)[C@H]2C(=O)N(C)C)cc1OC 4777514 ZOQZQZZCOKBEKI-WQTXXOFMSA-N 443.496 2.814 0 40 IFAB Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1C[C@H]1CCCO1 6156111 FATODYWLQRIVST-GOSISDBHSA-N 434.514 2.695 0 40 IFAB COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCSC[C@@H]43)C2=O)cc1 8694630 DXQGJFBWXYNNQA-VGSWGCGISA-N 441.484 2.582 0 40 IFAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(C2SCCS2)cc1 8876579 XZUNTDRHZHJECE-UHFFFAOYSA-N 446.550 2.900 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@@H]1CC=CCC1 9349314 MEUBUERGEMLSAF-GOSISDBHSA-N 433.574 2.993 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 9429887 OBORWEBXDBVWFO-WRDGEJPTSA-N 440.521 2.841 0 40 IFAB O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 9469753 CMPCHBUBVWOBHP-UHFFFAOYSA-N 431.583 2.522 0 40 IFAB CCOCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)o1 9596543 JNRKOKBIQUCXKD-UHFFFAOYSA-N 432.542 2.842 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cc(C)ccc4C)[C@H]3C2=O)cc1Cl 9674999 RODLKIMCNVZDPM-RTBURBONSA-N 441.875 2.897 0 40 IFAB COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1S(=O)(=O)NC1CC1 9728096 XVRJEUGTPVAVPJ-UHFFFAOYSA-N 429.498 2.515 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 14135111 RUIOXAHEXNVVPB-UHFFFAOYSA-N 442.965 2.930 0 40 IFAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 14136790 OGWYVQXAGZNCQQ-GASCZTMLSA-N 431.514 2.695 0 40 IFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc21 15781449 FLOJNADWWAGQAM-UHFFFAOYSA-N 440.543 2.607 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 16124870 FPRXXNZBTKPHII-UHFFFAOYSA-N 441.483 2.607 0 40 IFAB O=C(NCCCN1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 16259152 MJBNQQCWDUNWGB-UHFFFAOYSA-N 425.570 2.609 0 40 IFAB COc1cc(OC)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OC)c1 16349642 FYMJESINYMCBFU-GZTJUZNOSA-N 425.441 2.552 0 40 IFAB O=C(c1ccccn1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19400125 UJYGDEHGLOCTPQ-NRFANRHFSA-N 430.512 2.898 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2n[nH]c(O)n2)C1 19449340 QKSNGHLYSBNEIY-XMMPIXPASA-N 433.512 2.777 0 40 IFAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc(OC)s3)[nH]c2=O)C1 19499127 AHLIADDJYRHMSX-HNNXBMFYSA-N 430.530 2.502 0 40 IFAB CCc1n[nH]c(C(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1C 19520927 MJIQQECLBTWRIV-DEOSSOPVSA-N 432.528 2.688 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19528369 DQZBSAWCXSVUGK-LVXARBLLSA-N 448.567 2.514 0 40 IFAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccccn2)CCO1 19580748 MQDQISJOWJNGOA-VWLOTQADSA-N 430.508 2.686 0 40 IFAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 19739391 SACTZXBYNCNYDY-QGZVFWFLSA-N 426.492 2.756 0 40 IFAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19739471 WHTGFURMXHOWIV-IBGZPJMESA-N 442.585 2.836 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19755693 FNFHAWFMIVXBJB-NRFANRHFSA-N 438.528 2.562 0 40 IFAB O=C(NCCO)c1cc([C@@H]2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)C2)nc2ccccc12 19756956 ZAPDTSWNOABSJH-CQSZACIVSA-N 447.470 2.602 0 40 IFAB Cc1nc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)N1CCCCC1 19763205 WFAXJJAGWXKLGX-MRXNPFEDSA-N 428.562 2.686 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OCC 19928910 LLTAMQYEAMMNGU-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1OC 20259135 DLWQPQNGRFINND-UHFFFAOYSA-N 435.480 2.893 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccccc1C 20328736 RLAPFFHHGZCBPW-IBGZPJMESA-N 432.473 2.779 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1C(=O)OC)S(C)(=O)=O 22252079 IEVNCSGOKOFFRU-UHFFFAOYSA-N 436.486 2.529 0 40 IFAB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)c(C)c1 22796398 WHDXLUCHGACONT-OAQYLSRUSA-N 426.536 2.794 0 40 IFAB COc1ccc(CCC(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1 23139267 OCLGIHCBQJUXRY-QGZVFWFLSA-N 444.557 2.505 0 40 IFAB CN1CCc2nc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)sc2C1 23609778 PBGBMKXGKUBUAP-GXDHUFHOSA-N 446.598 2.782 0 40 IFAB O=C(CSc1nc(NC2CC2)c2ccccc2n1)NN1C(=O)NC2(CCCCC2)C1=O 23702222 RZNCGWPQZFBQJX-UHFFFAOYSA-N 440.529 2.582 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 23882458 YCFFDFZLONLHIW-UHFFFAOYSA-N 429.567 2.805 0 40 IFAB COc1ccc(CN2CCN(C(=O)C3CCN(c4ccc(Cl)nn4)CC3)CC2)cc1 28869990 RXGNRDHJWAWQPE-UHFFFAOYSA-N 429.952 2.699 0 40 IFAB O=C1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](c3cccs3)C3CCCC3)c2)CCN1 32397799 RXEAECFKUYXRGX-FQEVSTJZSA-N 447.582 2.530 0 40 IFAB Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cn2c1 32829690 PMYUMDWCWNAJKS-IRXDYDNUSA-N 443.525 2.798 0 40 IFAB O=C(C1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2ccc(Cl)nn2)CC1 38489487 RMVYJUUAVKJDCY-UHFFFAOYSA-N 439.951 2.567 0 40 IFAB CCNC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CCCCC1 40134616 GOAKAXHPYNEYDA-UHFFFAOYSA-N 449.617 2.659 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(CN3CCCC3)cc2)Oc2ccccc21 44872400 ZDWGGWYWKCETHJ-JOCHJYFZSA-N 443.569 2.516 0 40 IFAB COc1cccc([C@H](C)NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)c1 49400877 MSYRLAWLHGAMMW-SFHVURJKSA-N 446.551 2.996 0 40 IFAB COc1cccc(N2CCN(c3ncc(S(=O)(=O)c4cccc(C)c4)c(N)n3)CC2)c1 67336405 TUKNOTXPPHJIHJ-UHFFFAOYSA-N 439.541 2.535 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)C1=O 69380033 QKVREXIEZUCDHT-INIZCTEOSA-N 433.512 2.852 0 40 IFAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(S(=O)(=O)N4CCOCC4)C3)n[nH]2)cc1 72371314 JAQWLGWDNQRBEK-IBGZPJMESA-N 448.589 2.521 0 40 IFAB Cn1cccc1-c1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)[nH]n1 72393670 XKYAMOBRBBAJTI-GFCCVEGCSA-N 444.421 2.892 0 40 IFAB CSCCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 79070724 KQAZPGXPIONIQB-UHFFFAOYSA-N 438.619 2.502 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCC1 95458866 JCUBZQOWAFXNRG-PMACEKPBSA-N 429.536 2.831 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 220088316 GOLZYQUKNVLVJR-UHFFFAOYSA-N 432.832 2.810 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O 220335110 OSFUOHBZAWTCJB-OAHLLOKOSA-N 426.560 2.801 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCSc3ncn[nH]3)cc2)cc1 222874813 BIEIKNUWALPFRF-UHFFFAOYSA-N 445.570 2.755 0 40 IFAB COc1ccc2c(c1)[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)CC(C)(C)O2 224010657 YAZGURFCPDYDFJ-IBGZPJMESA-N 432.542 2.875 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)cc1 224182909 HCXXSUWLEJCWHL-NHCUHLMSSA-N 432.542 2.896 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[C@@H]1Oc1ccc(Cl)cc1 257211157 BXSCNFJDBQHEMW-UGSOOPFHSA-N 426.897 2.813 0 40 IFAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 257323150 WIYFMNAFQLYDTK-QHCPKHFHSA-N 435.553 2.587 0 40 IFAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 257336562 YOZMVZAACOEVNH-SANMLTNESA-N 428.536 2.806 0 40 IFAB CCN1CCN(C(=O)c2cc(C)nc(N)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257336849 YQGUXHUPOXAJJC-FQEVSTJZSA-N 444.539 2.592 0 40 IFAB O=C(c1ccco1)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306127576 GCPDOWZJYKIDGB-GBXCKJPGSA-N 435.455 2.851 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)on2)cc1 408662463 DNGKCMVWVRPHIC-UHFFFAOYSA-N 445.472 3.231 0 40 IFAB CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2ccccc2C(F)(F)F)[C@H]1c1ccccc1 585261491 XXKUZCDQJDCEJA-HBFSDRIKSA-N 434.462 2.875 0 40 IFAB COCC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 585284095 UZLOEGJOFHGRKI-JOCHJYFZSA-N 426.504 2.588 0 40 IFAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)N[C@H](CO)C(C)C)c2C1 643575857 PNOMFOGQWZKIOL-JOCHJYFZSA-N 447.620 2.960 0 40 IFAB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C1CCN(Cc2ccccc2)CC1 2095868 ASTXNFAFYIFOLM-XMMPIXPASA-N 428.536 2.928 0 40 IFAB biogenic Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 2291113 BQOJXHMOVAWEJV-AWEZNQCLSA-N 431.452 2.793 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3435512 UWAKFGITWKTOIA-VYPLWORKSA-N 426.494 2.573 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 8025595 WTLWRIRPALTTLI-UHFFFAOYSA-N 429.586 2.937 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 8717992 ZWIVRZOCEJWYBV-NRFANRHFSA-N 446.550 2.892 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 8720169 RGWZXQZHAFRFHM-CJAUYULYSA-N 445.523 2.993 0 40 IFAB CCCCNC(=O)CC[C@@H]1N=C(O)N(CC2(c3ccc(OC)cc3)CCOCC2)C1=O 8765027 PHDWBIRGDILVJG-IBGZPJMESA-N 431.533 2.565 0 40 IFAB biogenic O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8879497 SYYPADWFDNLYKI-UHFFFAOYSA-N 441.534 2.988 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cncc(Br)c1 8938347 HEYSITKSUKHMHO-UHFFFAOYSA-N 438.347 2.949 0 40 IFAB Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 9254513 OWSKEMJTALABRJ-UHFFFAOYSA-N 438.496 2.869 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(C)c3)n2C)s1 9263986 BCXNDODGVMJKBA-UHFFFAOYSA-N 431.547 2.504 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)ccn3n2)cc1 9321214 FQNOTJIKCWIRIY-UHFFFAOYSA-N 446.463 2.607 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCCc1ccccc1 9335152 FEFWNDHWBASOOF-UHFFFAOYSA-N 449.484 2.580 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)Nc2nnc(C)s2)c1 11613390 OCAAWCNUHRVRQT-ZDUSSCGKSA-N 439.526 2.726 0 40 IFAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12085978 GYXQSEYLYMNZTD-GKVSMKOHSA-N 432.524 2.524 0 40 IFAB O=C(Nc1nnc(-c2ccno2)o1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 12234628 UCKRCYQQIURNEI-VIFPVBQESA-N 443.894 2.621 0 40 IFAB COc1cc2cc(C(=O)N[C@H](C(=O)Nc3ccccn3)C(C)C)n(C)c2c(OC)c1OC 12324192 CGPDBGKQFTXULN-SFHVURJKSA-N 440.500 2.992 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F 12870759 CGDDCVJGYJEHDQ-UHFFFAOYSA-N 431.533 2.568 0 40 IFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 12934997 LEFXBVYEUYQADD-UHFFFAOYSA-N 428.420 2.654 0 40 IFAB CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 13022942 YLHLQGVSTUWQIY-UHFFFAOYSA-N 443.569 2.959 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3ccc(Br)cc32)cc1 13724794 ZQUTZFASMRMDDE-UHFFFAOYSA-N 436.331 2.758 0 40 IFAB Cc1cc(Br)ccc1SCC(=O)N1CCN(CC(=O)NC(C)C)CC1 14122065 VFXJYWNFMHHMRR-UHFFFAOYSA-N 428.396 2.518 0 40 IFAB COc1ccc(C)cc1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 14850128 CZHOJHOLNFRNCN-IRXDYDNUSA-N 432.542 2.983 0 40 IFAB COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc(OC)c1OC 15137276 YBDZTKBSRQBCIC-UHFFFAOYSA-N 448.541 2.735 0 40 IFAB Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccncc1 16755884 KKARBMKLXDMTBX-UHFFFAOYSA-N 441.261 2.825 0 40 IFAB Cc1cccc(C(=O)NCCN2CCn3cc(OCc4ccc(F)cc4)c(=O)cc3C2=O)c1 16850564 AUKKXVVJBLKPQF-UHFFFAOYSA-N 449.482 2.761 0 40 IFAB CN(Cc1ccccc1Br)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 18074396 VNZYUGMROCFXAE-UHFFFAOYSA-N 436.331 2.536 0 40 IFAB CC(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)CCc3cn(C)c4ccccc34)nc2C1 19019014 ULTHLOVXTZLIAH-JOCHJYFZSA-N 447.539 2.875 0 40 IFAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C(=O)c3cc[nH]n3)nc21 19695767 OZOMLWGWQFPLHV-LJQANCHMSA-N 446.511 2.973 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)n1 19697514 XPCNRYCAIONZRP-QGZVFWFLSA-N 425.508 2.552 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)COc2cccc(N(C)C)c2)nc2c1CCC(=O)N2C 19741181 HTOOMGNNEKZIGH-HXUWFJFHSA-N 437.544 2.893 0 40 IFAB CN(C)CC[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O 19751365 CXAZMBFLWPCYBM-FQEVSTJZSA-N 428.508 2.573 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 20105858 QZVDJGLMXRIIEW-WEVVVXLNSA-N 430.482 2.860 0 40 IFAB C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O 20467218 AHYOULLZEJFZLK-FZJOGNLPSA-N 430.593 2.949 0 40 IFAB biogenic,in-vitro CN(C)CCNc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccsc12 20922336 QKWWFZUHSJPNAJ-UHFFFAOYSA-N 436.950 2.799 0 40 IFAB CN(C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 24880226 OMNICZKCIXGDNU-UQBPGWFLSA-N 449.507 2.804 0 40 IFAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cccc(-c2nncn2C)c1 25264060 ZVXZKSRONLMHLZ-UHFFFAOYSA-N 435.513 2.877 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccnc1SCc1cc(C)on1 27218170 FFMPHOOZJKOZLW-UHFFFAOYSA-N 446.554 2.650 0 40 IFAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 29839101 DFFGMVLTHCMIPP-UHFFFAOYSA-N 427.570 2.649 0 40 IFAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(OC)cc(OC)c3)cc2)CC1 32125182 BSKLWQCMPNBVAT-UHFFFAOYSA-N 428.558 2.973 0 40 IFAB O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 32865592 NZGSXWMOKDGQAS-GOSISDBHSA-N 444.520 2.920 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)c1 35128759 IXNRSQXRJHZUFQ-KRWDZBQOSA-N 446.525 2.946 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1)c1cccs1 35349130 SUOMFFGMACHMQE-UHFFFAOYSA-N 440.569 2.771 0 40 IFAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCC(N)=O)c1 36393020 NYUNVHRCBMKYRO-XBESXDPPSA-N 427.545 2.846 0 40 IFAB O=C(N[C@@H](CO)c1ccccc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 36584889 CRVJKADYBFLZHF-IAYYMHMVSA-N 434.533 2.760 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4C)no3)C2=O)cc1OC 38487666 ZKPRPZXTLSJEIQ-MOPGFXCFSA-N 448.439 2.556 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccc(C)cc3)C3=C2COC3=O)c(OC)c1 49402890 CXDZQUVXTDGTKQ-OAQYLSRUSA-N 437.452 2.528 0 40 IFAB COC(=O)c1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3c(C)nnc23)o1 49404931 BJVYVJLOKUVQCS-UHFFFAOYSA-N 444.444 2.952 0 40 IFAB CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ccccc4)CC3)=C2C(=O)OC)cc1 57415201 SBDDLUYKKJYDMY-QHCPKHFHSA-N 434.540 2.852 0 40 IFAB CC[C@H](NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 57994624 YWPGLKTWHOVNHS-FCSDKFEESA-N 433.618 2.577 0 40 IFAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 58195388 PKOZUROUEBNCHX-IAGOWNOFSA-N 445.589 2.911 0 40 IFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 58244598 FDIIKXWVBKWSQK-MRXNPFEDSA-N 427.448 2.854 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2cnc(C)cn2)CCO1 72389142 FMVOYXBTVUEAMV-AREMUKBSSA-N 444.535 2.960 0 40 IFAB O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCOCC1 85876665 YGCINMKPIJBDEO-UHFFFAOYSA-N 428.492 2.823 0 40 IFAB biogenic Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@@H](O)C(=O)OCc2ccccc2)c1 95464762 REDVYGJRJDYBGX-HXUWFJFHSA-N 439.537 2.802 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 97113296 DPASMOBLHWCYJW-OAQYLSRUSA-N 446.569 2.614 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@@H]3C2=O)cc1Cl 101168878 MEBIIUQNHNSIKG-OALUTQOASA-N 441.875 2.897 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)cc(C)c3)CC2=O)c1 138769462 LJOYHQGRLVLYDT-INIZCTEOSA-N 426.469 2.855 0 40 IFAB COc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1OC 219966589 DZKQBGCYGHSJHS-UHFFFAOYSA-N 446.569 2.992 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 220187096 MKXATFFJHPBCCX-SFHVURJKSA-N 445.585 2.809 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224642807 JVNXPYYRRWWWHT-LJQANCHMSA-N 445.585 2.705 0 40 IFAB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892247 RULXBVCWTFQKCD-UHFFFAOYSA-N 448.497 2.580 0 40 IFAB CCOc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC 225293829 PIVCHNXVCFKNPD-UHFFFAOYSA-N 426.922 2.684 0 40 IFAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 225563680 OVZIZZODLGMPKU-LJQANCHMSA-N 448.541 2.606 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccccc2Cl)cc1 225580532 CLPSUSLIKLJTKZ-UHFFFAOYSA-N 428.963 2.878 0 40 IFAB COc1ncccc1CN1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3ccncc3)C2=O)C1 306140007 UGSRYDYJQRGAPC-SQJMNOBHSA-N 446.555 2.627 0 40 IFAB COc1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1Cl 408555959 YDLCFPPIJMZPMY-UHFFFAOYSA-N 440.681 2.805 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccc3nnc(C(C)C)n3n1)CC2 524735226 IHYQMRYGQIUDCO-UHFFFAOYSA-N 427.530 2.942 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575618412 VNKBIKLTTAYCJO-KDOFPFPSSA-N 436.530 2.629 0 40 IFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)c12 578921960 HGPPYJKDZGPVBC-FYSMJZIKSA-N 446.511 2.537 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cnco3)CCO2)C1=O 643556200 HSISNVAYBUZADT-QHCPKHFHSA-N 427.501 2.540 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)COc1ccccn1)C2 643576123 PUBROIGCWRIAME-UHFFFAOYSA-N 427.501 2.567 0 40 IFAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC1)OCCn1c(CN(C)CC3CC3)cnc12 2055793438 FFFQWWPDQKSAHQ-UHFFFAOYSA-N 448.571 2.843 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 624086 QTRQDJNDEKAHHF-JKALPCAWSA-N 438.480 2.556 0 40 IFAB O=S(=O)(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921134 YPGAYUCHPIBIJI-UHFFFAOYSA-N 426.535 2.869 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 5706769 IMKAKHAILFSCIT-XPGWFJOJSA-N 428.485 2.845 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 8592257 FMANFVJPMXTWJM-UHFFFAOYSA-N 437.452 2.697 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(OC)c(OC)c3)cc2c1 8677459 HIGJQFZIUWVINO-UHFFFAOYSA-N 426.469 2.579 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 8825044 DWTDJXKPBJEADA-SDNWHVSQSA-N 442.493 2.527 0 40 IFAB COc1ccc(OC)c(-n2c(O)nc(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1 8969920 FNNWFZZTVZNUPF-OAQYLSRUSA-N 448.479 2.720 0 40 IFAB biogenic COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(OC)c(C)c2)cc1 9210778 GZCOLQSHPLAWEP-UHFFFAOYSA-N 445.479 2.668 0 40 IFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9336196 ULSACIUNLUAHTQ-UHFFFAOYSA-N 442.944 2.787 0 40 IFAB COc1cc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 9424105 JXZQIGXJDRXDNU-CQSZACIVSA-N 425.528 2.603 0 40 IFAB Cn1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(=O)O)cc2cc(Cl)ccc21 9447521 MCAPFOMYJOMGLZ-KRWDZBQOSA-N 427.888 2.764 0 40 IFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCCCn2ccnc2)c1 9493302 GRSSVVDABZLXFO-UHFFFAOYSA-N 442.541 2.845 0 40 IFAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCN(c2ccc(O)cc2)CC1 9645923 QEUFIMFFBQCPGT-UHFFFAOYSA-N 436.541 2.822 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)Cc2ccco2)cc1 9783452 IHGZUOBZLJIHDM-UHFFFAOYSA-N 440.481 2.587 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 11657456 LQVZUBSZPQQPNB-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)/C=C\c2ccc3c(c2)OCO3)n1 12006338 BJKVGWYQAKGBEA-ALCCZGGFSA-N 431.408 2.905 0 40 IFAB O=C(CCc1ccccc1)NC(NCCCN1CCOCC1)(C(F)(F)F)C(F)(F)F 12376257 KVKUWBSAIVBKFI-UHFFFAOYSA-N 441.416 2.868 0 40 IFAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)NN1C(=O)NC2(CCCCC2)C1=O 12616484 ZLPMWQRWNZGDMF-SFHVURJKSA-N 430.505 2.852 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 12991612 QDQZUUOBARRFQZ-SHUWCMERSA-N 445.629 2.775 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1cccc(Cl)c1 13039928 HKQWSTXFVOWWOD-CYBMUJFWSA-N 425.938 2.888 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)Nc3ccc(F)cc3Cl)ccc21 15517049 HNMVHBWTJJMUJB-UHFFFAOYSA-N 426.853 2.597 0 40 IFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2Cc1ccccc1 19706548 YGCRFFYATCDTGF-LJQANCHMSA-N 429.590 2.724 0 40 IFAB CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)nc2c1CCN(C(C)=O)C2 19707403 IORVEGHSJTXWDJ-HXUWFJFHSA-N 443.573 2.566 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccccc1F 19744298 LXMHMRMPSAJWKR-LJQANCHMSA-N 448.502 2.767 0 40 IFAB CNc1cc(CN(C)S(=O)(=O)c2cccc(Cl)c2)nc([C@H]2CCCN2C(C)=O)n1 19760034 JIZXHTFNPPOOSO-QGZVFWFLSA-N 437.953 2.676 0 40 IFAB CN(C)C(=O)[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c2ccccc2O1 21477962 XOEILCARKKSLEE-NRFANRHFSA-N 434.471 2.996 0 40 IFAB CCCc1n[nH]c(=S)n1NCc1cc(Br)c(OCC(N)=O)c(OCC)c1 22109844 YTVLYOGVMYJZFW-UHFFFAOYSA-N 444.355 2.662 0 40 IFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)c1 22503067 YUSORZCILPBYDX-UHFFFAOYSA-N 439.541 2.755 0 40 IFAB CCOc1ccc(-c2noc(Cn3c(=O)n(CCCOC)c(=O)c4ccccc43)n2)cc1 23126569 NECCWJLLHAUNSV-UHFFFAOYSA-N 436.468 2.697 0 40 IFAB Cc1cc(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Br 24242550 WWWPKNUVYPQLAU-UHFFFAOYSA-N 433.349 2.809 0 40 IFAB CC(=O)c1cccc(OC[C@@H](O)CN2CCN(CCOc3ccccc3Cl)CC2)c1 25305307 GIEXQBPXISYCDF-FQEVSTJZSA-N 432.948 2.979 0 40 IFAB CCOC(=O)c1cc2oc([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2[nH]1 26440463 VUKNJWUZHOXJBW-IBGZPJMESA-N 428.493 2.851 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 26526914 CTKONFMKZLPOFQ-UHFFFAOYSA-N 435.889 2.725 0 40 IFAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4cc(F)ccc4F)CC3)NC2=O)cc1C 35430831 FTWYHDOYGORQAK-UHFFFAOYSA-N 426.467 2.931 0 40 IFAB biogenic COc1cc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc(OC)c1 49008940 NHCSOGQGYIMJJG-UHFFFAOYSA-N 443.529 2.972 0 40 IFAB COCCn1c(SCC(=O)NCc2cccc(OC)c2OC)nc2ccsc2c1=O 57425823 HXFDIEKBIUHUCE-UHFFFAOYSA-N 449.554 2.530 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccnc1S(=O)(=O)C(F)(F)F 58003405 ROLNKBILXVZFDC-UHFFFAOYSA-N 435.811 2.739 0 40 IFAB CCOc1ccc(C[C@@H](CNC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C(N)=O)cc1 58162191 WARKHFYYSYJOGQ-ZDUSSCGKSA-N 446.891 2.535 0 40 IFAB Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)s1 58308103 DRGVAVDQJDJKQB-OKILXGFUSA-N 438.575 2.913 0 40 IFAB CCCn1c(=O)n(CCC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c2ccccc21 59935755 VWNJLLNLHXFOAX-QFIPXVFZSA-N 449.555 2.692 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 64965715 GIHUPGYIVKHBBM-UHFFFAOYSA-N 445.928 2.643 0 40 IFAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)NCCS(=O)(=O)Nc2ccccn2)c1 79019724 BRFXKEQREKOOKO-NDEPHWFRSA-N 438.575 2.692 0 40 IFAB Cc1ccc(N2CCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2)nn1 90592291 ZMPUTHBOXRMIIQ-UHFFFAOYSA-N 431.543 2.653 0 40 IFAB CC(C)CCN1C[C@H]2CCN(C(=O)NCCc3ccc(F)cc3)CC[C@H]2S1(=O)=O 96263750 HNRFYYJJYCPSFU-UYAOXDASSA-N 425.570 2.850 0 40 IFAB Cc1nccn1-c1cc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccn1 97112539 NATOFZIYOPPXMH-ZCNNSNEGSA-N 435.528 2.558 0 40 IFAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC 106711536 LROPOTYUTAKVAV-AQTBWJFISA-N 434.514 2.769 0 40 IFAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 207999678 BQAODTVBUJGQHU-KXBFYZLASA-N 436.443 2.854 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1 219257749 CPZPDBMGPROWBG-UHFFFAOYSA-N 446.554 2.824 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)s1 225425119 RFDRTVDZBAFMOC-ZDUSSCGKSA-N 428.561 2.596 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1N1CCCC1=O 225673216 KAUXBZUAVFLOPR-UHFFFAOYSA-N 431.514 2.535 0 40 IFAB COc1ccc(-c2noc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)n2)cc1 225823954 SLRYQPNMEMVEDV-UHFFFAOYSA-N 447.542 2.628 0 40 IFAB Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)Cc2ccccc2)no1 257212701 CEPIAIYVIIGQOW-LGKPFJOYSA-N 439.487 2.933 0 40 IFAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2S(=O)(=O)c1cn(C)cn1 257235390 GXQALHZCCOXDCR-KHYDEXNFSA-N 442.585 2.584 0 40 IFAB CN(C)C(=O)c1cnn2c([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)ccnc12 257243600 IHSNCOOIBADGKA-INIZCTEOSA-N 430.512 2.861 0 40 IFAB CC(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccn12 306142830 XLLKEDSXFZQMAL-OAQYLSRUSA-N 445.523 2.616 0 40 IFAB O=C(c1ccccc1)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306144961 ZTKLPNUKCIXEHN-DEOSSOPVSA-N 449.532 2.950 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408659087 LWMVWNJZBKELLY-WVZRZZCNSA-N 446.459 2.768 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 827608944 OYQDJPCWSOEIQO-ZDUSSCGKSA-N 430.507 2.671 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 2056223306 FKFRABMVUJFCLU-HSZRJFAPSA-N 443.569 2.920 0 40 IFAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2[C@H](C)N2CCCCC2)cc1 3393406 VZIQACIQVWVNJZ-KRWDZBQOSA-N 445.589 2.774 0 40 IFAB CCCCn1nnnc1COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1 8824948 RAUMLEQLQFMXFV-UHFFFAOYSA-N 429.433 2.693 0 40 IFAB COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1OC 8936320 IEPYXTMGSLJVNH-UHFFFAOYSA-N 430.885 2.579 0 40 IFAB Cc1cc(C)n2c(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)nnc2n1 8942941 ZJXCNAJRXIKJTF-AWEZNQCLSA-N 448.574 2.547 0 40 IFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1I 9402932 TWERYBUSSGPRFX-AWEZNQCLSA-N 429.327 2.952 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1Cl 9525890 XWILETMOSUHUIY-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(Cl)cc5)CC4)ncnc32)c1 9850821 RHEKCLIQOJAEPJ-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 9910071 XMFBIDDJJYNOAA-SFHVURJKSA-N 447.582 2.611 0 40 IFAB O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)N1CCc2ccccc2C1 10876060 NKAGPFVKVWUMMO-LJQANCHMSA-N 427.574 2.734 0 40 IFAB CCCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccccc2F)n(C)c1=O 12232060 YKTVXNAIPQFCBT-UHFFFAOYSA-N 438.507 2.995 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12276814 HOZAXIYZTJYQAH-UHFFFAOYSA-N 437.406 2.540 0 40 IFAB CCCCS(=O)(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC)CCCC4)CC1 12408431 PNHAOOLCIPVTIW-UHFFFAOYSA-N 438.619 2.609 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 12547778 FTFYSZRXZOVCDD-FYSMJZIKSA-N 447.495 2.525 0 40 IFAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCNC(=O)c1ccc(F)cc1F 12740725 RIJTYPADPSEIRP-UHFFFAOYSA-N 434.468 2.822 0 40 IFAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O 12753528 DLGOVOFIWNHVBZ-CVEARBPZSA-N 426.517 2.839 0 40 IFAB O=C(NCc1ccccc1)C1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 12881557 CRCOTJKDTIRDGC-UHFFFAOYSA-N 434.945 2.669 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1 12913291 CQGYCRXYMXQYPK-UHFFFAOYSA-N 445.585 2.644 0 40 IFAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12995807 MQHXZXFFTFQOGW-UHFFFAOYSA-N 448.907 2.812 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 12998128 XNPBAZDZBIXKOV-OAHLLOKOSA-N 441.347 2.978 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 15511687 DKRHJPWCSWKDQH-UHFFFAOYSA-N 446.403 2.664 0 40 IFAB COc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc(Cl)c1OC 16964599 PTAKRWRMZFFOME-IBGZPJMESA-N 446.887 2.624 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 17126092 VGBCDNMXTFMRPT-UHFFFAOYSA-N 432.505 2.917 0 40 IFAB O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2nsnc12 19077092 RLNSXVHULMMMHR-UHFFFAOYSA-N 428.514 2.506 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 19503076 NEGKDNFIIKTRRF-HXUWFJFHSA-N 437.569 2.946 0 40 IFAB COc1ccc2c(c1)C1=C([C@@H](c3cn(C)nc3C)O2)[C@@H](c2cn(C)nc2C)n2ncnc2N1 19640711 ZOIDONDNZFLRHI-FGZHOGPDSA-N 444.499 2.930 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 19710351 YNWXUCSIGCDHIL-FQEVSTJZSA-N 425.508 2.858 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C(=O)c3cnccn3)nc2C)c1 19764589 BMHGDEXOIXGDTH-OAQYLSRUSA-N 446.511 2.881 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)N[C@H](C)CC)cc2c1 20081362 CZSIUUAJFLEMPF-QGZVFWFLSA-N 446.617 2.734 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 20674625 NDCWRDAJXXOZTG-FCHUYYIVSA-N 434.540 2.519 0 40 IFAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(N2CCCS2(=O)=O)cc1 22883356 LAQPDEJRJIPRMJ-UHFFFAOYSA-N 435.556 2.848 0 40 IFAB O=C(Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2)Nc1ccc(F)cc1F 32616264 PCBGAFPVGJDQBY-UHFFFAOYSA-N 428.420 2.537 0 40 IFAB COc1ccc(CCNC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325373 QUPBSWKIBVGNJH-MRXNPFEDSA-N 445.566 2.952 0 40 IFAB CCCc1nnsc1C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 38561519 QWBJHNHCGCSOEU-CYBMUJFWSA-N 428.605 2.915 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 44005734 UNEDESCVLIERQT-UHFFFAOYSA-N 426.448 2.794 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1)Nc1cccc(F)c1 57303428 WCXZEEBGRGGKCR-JOCHJYFZSA-N 441.503 2.780 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 70638606 BGJNYVQHHQKBFR-UHFFFAOYSA-N 437.474 2.883 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@H](C)C2 72308779 SFOXTIYZTBPENW-QWHCGFSZSA-N 436.578 2.509 0 40 IFAB CCN1CCN(C(=O)Cn2nc(C)nc2C)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 72351773 GCFDTKYSDXKPPQ-HXUWFJFHSA-N 437.569 2.925 0 40 IFAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)cc1 72393660 HWEWLDWQZMMAKB-CQSZACIVSA-N 433.390 2.950 0 40 IFAB CN1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 84240572 LYLBQDUECCZNHT-AWEZNQCLSA-N 444.345 2.798 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 95426521 BMIQLVCFYJIUDX-MSOLQXFVSA-N 428.360 2.607 0 40 IFAB Cn1c(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nnc1-c1ccccc1 95943986 SSSUCGLSLCKQFV-IBGZPJMESA-N 435.503 2.832 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1Cl 96367022 YVKVATQYRXPTAW-CQSZACIVSA-N 429.947 2.976 0 40 IFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 100138526 KTWXSZWZJFDYJH-CQSZACIVSA-N 444.495 2.570 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 101454093 DIWBIBLNZXIFIW-OYRIPWCXSA-N 434.279 2.893 0 40 IFAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O 103292248 PMYXFHSCTGCLGO-INIZCTEOSA-N 442.522 2.996 0 40 IFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)c1 219226228 PIUHUMNTWLLINN-UHFFFAOYSA-N 442.497 2.659 0 40 IFAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 223320462 SXLHOERIEPEQRT-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223718086 LDRRJZXOJFWYJH-ORYQWCPZSA-N 428.558 2.988 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCN(C)c2ccccc2)s1 225278382 VGFMMQYUZZQCLR-UHFFFAOYSA-N 431.543 2.514 0 40 IFAB COc1cccc(N2C[C@H](CNC(=O)c3ccnc(OCC4CCOCC4)c3)OC2=O)c1 244950820 FNJIUPAOIMROIF-FQEVSTJZSA-N 441.484 2.651 0 40 IFAB Cc1cc(C)n(-c2cccc(C(=O)N3CCCC[C@]3(C)C(=O)NCc3nonc3C)c2)n1 257285447 PHCIHXZYEKVXIM-HSZRJFAPSA-N 436.516 2.882 0 40 IFAB COc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 257297333 RGUQELRSGJBGOI-REWPJTCUSA-N 438.524 2.854 0 40 IFAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306131630 KKPGPEYCTZFDGS-BWKNWUBXSA-N 444.539 2.913 0 40 IFAB O=C(CC1CC1)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1ccccc1)CC3 306142863 XMRWYQGEEFMUTC-UHFFFAOYSA-N 432.568 2.767 0 40 IFAB COCCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 306144012 YTJMKXYSJLHEHT-GCJKJVERSA-N 445.589 2.610 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408753358 OJKTWVUYPLLHKI-XGHXRCDJSA-N 440.908 2.767 0 40 IFAB COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409056386 DGLQMPVKAFMBTB-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CCCN(c2ncccn2)C1 524729537 XSQJJYSUMVENMR-BHDDXSALSA-N 429.609 2.823 0 40 IFAB biogenic Cc1nc(C)n(C[C@H]2CCCN(C[C@H](C)CN3CCC[C@@H](Cn4nc(C)nc4C)C3)C2)n1 532558078 GPXMVCJTGLORDR-CUDPYZAKSA-N 442.656 2.864 0 40 IFAB C[C@H](c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1)n1ccc2ccccc2c1=O 685286160 FSNKHLWNIUSFPB-JCQPUDPBSA-N 429.436 2.715 0 40 IFAB O=C(c1cncc(Br)c1)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888906790 ZZTUYGFJEBUMHI-UHFFFAOYSA-N 440.301 2.969 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCCCCC2)cc1 831446 MAWZERGAHUBBJM-HXUWFJFHSA-N 431.558 2.824 0 40 IFAB O=C(OCCCCOC(=O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1661313 IDXJGGUSOFUUPW-UHFFFAOYSA-N 436.376 2.632 0 40 IFAB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)n1C 3533174 HSRRRNYUZLZMPU-UHFFFAOYSA-N 430.482 2.753 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 4547072 QZHIYGGERXDICJ-GXSYWRQXSA-N 426.557 3.000 0 40 IFAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](C(=O)O)C(C)C)c(C)c13)CCC(C)(C)O2 8765284 ZOCGYEDORAGMOT-IBGZPJMESA-N 431.485 2.982 0 40 IFAB biogenic O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1 8988163 LMGVERREKMESTM-UHFFFAOYSA-N 438.914 2.655 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)c1cc2ccccc2o1 9016732 DKQNPKVKYJWSDR-UHFFFAOYSA-N 431.427 2.957 0 40 IFAB O=C1C[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc2c(c1)OCO2 9037501 NGBSVAMPOFQUDT-LBPRGKRZSA-N 442.415 2.766 0 40 IFAB Cc1nc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)cs1 9056899 SNJHPQVJQBHLGK-UHFFFAOYSA-N 438.556 2.815 0 40 IFAB COC(=O)c1ccc2nc(NC(=O)CSc3nnnn3-c3ccccc3)sc2c1 9203872 CQWXEUWGAWLVLG-UHFFFAOYSA-N 426.483 2.789 0 40 IFAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 9284802 KYXLYSAPTBLDPN-HNNXBMFYSA-N 426.494 2.895 0 40 IFAB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@@H]1COc2ccccc2O1 9476835 FFSRDTVTDKNCCX-QGZVFWFLSA-N 437.496 2.992 0 40 IFAB CCOc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)cc1 9517135 GHUBQWAQQQWCAI-IBGZPJMESA-N 437.543 2.568 0 40 IFAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c(OC)c1 9519294 CKARQEZBZAONMU-OAHLLOKOSA-N 441.532 2.748 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(-c3ccccc3Cl)noc2C)NC(=O)N[C@@H]1C 9639802 CGROAEBOTCBSMK-SNVBAGLBSA-N 433.848 2.979 0 40 IFAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 9764051 WFNMFAOZYWCXHP-PXNMLYILSA-N 428.422 2.774 0 40 IFAB C[C@H](NC(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2c(c1)OCCO2 10216198 RNUBCLZHTFHVJW-INIZCTEOSA-N 436.512 2.615 0 40 IFAB CCc1ccc(Cl)c(CC)c1NC(=O)COC(=O)c1sccc1S(N)(=O)=O 10938256 MWNSIBCIPZSZRP-UHFFFAOYSA-N 430.935 2.969 0 40 IFAB COC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696200 USVRSDFONNVJCS-JSGCOSHPSA-N 448.570 2.593 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCC3CCCCC3)CC1)NC2=O 12086545 DNOBABRNGLWZRU-OSPHWJPCSA-N 426.561 2.944 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2cccs2)CC1 12133349 QFVKCIDOWDGRNQ-UHFFFAOYSA-N 434.587 2.952 0 40 IFAB CCn1nc(CCC(=O)N2CCC[C@H]2c2cc3nc(C)cc(O)n3n2)c2ccccc2c1=O 12154076 MSLCBOKGCKDAFG-FQEVSTJZSA-N 446.511 2.769 0 40 IFAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)CCN2C(=O)CSC2=O)C1 12238411 LZSSTQGEOHKLNG-HNNXBMFYSA-N 425.514 2.754 0 40 IFAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@@H]2CCCCO2)C[C@@H](C)O1 12240758 DVBXNQRJSBKGKW-XSYGEPLQSA-N 446.592 2.806 0 40 IFAB Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 12444290 NYTWBCUKAVIKBS-UHFFFAOYSA-N 425.452 2.784 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1 12605902 YFZDYZMRQPSIKO-UHFFFAOYSA-N 425.510 2.528 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)C[C@H](C)O1 12675919 XZQCKNNXMIDCHX-IRXDYDNUSA-N 440.525 2.923 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3F)CC2)c(C)c1 12793772 UUUXQHKTXZOJQN-UHFFFAOYSA-N 435.521 2.537 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C)c3C)CC2)cc1 12816955 ZVCKYQRVWDABCL-UHFFFAOYSA-N 429.542 2.845 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12848918 MDPKNHDWZAHPDN-IERDGZPVSA-N 434.514 2.579 0 40 IFAB COc1cc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc(OC)c1OC 12986348 LTANHVPMZFOBSI-UHFFFAOYSA-N 429.498 2.668 0 40 IFAB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 13039473 QGILCUABKMDRCM-MRXNPFEDSA-N 428.533 2.734 0 40 IFAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13120673 UEHKUSLXRHGRAU-OAHLLOKOSA-N 449.602 2.908 0 40 IFAB O=C1N[C@H](c2ccc(OC(F)F)cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 13305262 ODDLHYHPRDAOEO-XNJGSVPQSA-N 431.317 2.787 0 40 IFAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3c(F)cccc3F)cc21 13364472 KTELLZORTVJHKT-UHFFFAOYSA-N 428.439 2.758 0 40 IFAB C[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N1c2cccc3cccc(c23)S1(=O)=O 13566746 XXEAYKBVXMVFMK-ZDUSSCGKSA-N 436.493 2.566 0 40 IFAB COc1ccc(C2=NO[C@@](CC(=O)O)(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1OC 13591722 LPRHALGOEHUHHL-QFIPXVFZSA-N 426.425 2.883 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3ccc(F)cc3F)n2)cc1 13798583 NTGLYRUDQQFTPL-UHFFFAOYSA-N 435.452 2.566 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 14076874 ISGSYKYPVMTBFQ-AWEZNQCLSA-N 438.889 2.778 0 40 IFAB CCOC(=O)c1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc(C(=O)OCC)c1 14699869 XGGAQWAJWFUZAC-UHFFFAOYSA-N 449.463 2.897 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 15317012 GVLVIXFEAWOTES-UHFFFAOYSA-N 449.573 2.824 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 17357990 WZTRSNCKIUEUQK-UHFFFAOYSA-N 443.613 2.994 0 40 IFAB C[C@@H](C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1)N1CCCC1 19077910 BZWHBIZGLZXWCG-SFHVURJKSA-N 435.572 2.799 0 40 IFAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2nnc(N)s2)C1 19591537 KFWYCJYHQJIYHO-QHCPKHFHSA-N 435.553 2.537 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1ccncc1)C2 19695746 WAZAXLFUAQBQLY-NRFANRHFSA-N 432.503 2.894 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1ccc(F)cc1)C2 19708855 NZQUKZPXUMVERV-KRWDZBQOSA-N 425.508 2.511 0 40 IFAB O=C(NCC1(c2ccccc2Cl)CC1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19749391 BCOXAORXWBNMAK-UHFFFAOYSA-N 427.932 2.976 0 40 IFAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 20023192 YOHMWRMENAVLBX-UHFFFAOYSA-N 442.896 2.826 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)CC1 21756445 VWZPROPPLDRWBX-UHFFFAOYSA-N 443.569 2.896 0 40 IFAB O=c1cc(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccc(O)cc2o1 21849519 DHBBYJWBUBIBNF-MDWZMJQESA-N 426.494 2.617 0 40 IFAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@H]1COc2ccccc2O1 22459199 LMIYREZMAPLHJE-AWEZNQCLSA-N 444.285 2.505 0 40 IFAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O 23674659 BMPBHAKRMSTRSE-NPMXOYFQSA-N 442.516 2.524 0 40 IFAB CCCCn1nnnc1COC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 24108227 YWVBCHXFZLVRBA-UHFFFAOYSA-N 449.577 2.543 0 40 IFAB CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)CNC(=O)O)cc1 26894790 XXFUHIFHZDPFKL-UHFFFAOYSA-N 434.470 2.889 0 40 IFAB O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc(F)cc1 28052577 XCFJBZNZCUDXNW-UHFFFAOYSA-N 434.489 2.570 0 40 IFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(N2CCc3sccc3C2)nc1 32753653 GRRIBRHQLOWSCI-UHFFFAOYSA-N 425.514 2.509 0 40 IFAB COC(=O)c1cc(CNC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)ccc1OC 32862523 ISJXNAHCKYVEEG-UHFFFAOYSA-N 434.876 2.948 0 40 IFAB COc1cc(OC)c(N2C[C@@H](C(=O)NCCN(C(C)C)C(C)C)CC2=O)cc1Cl 32989064 RJPLKIHCRSVPEH-HNNXBMFYSA-N 425.957 2.945 0 40 IFAB C[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 33252796 JSPCJTUFXCSQSZ-QGZVFWFLSA-N 426.542 2.964 0 40 IFAB Cc1cnc2n(c1=O)[C@@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@H](C)C4)on1)CS2 38755197 RUAZTLGRLPVARR-DYVFJYSZSA-N 438.509 2.883 0 40 IFAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 48278492 FBXCHCJUIWKNNF-PXNSSMCTSA-N 443.548 2.853 0 40 IFAB CN(C)CCN(Cc1ccccc1F)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 48309481 AEWJBIXXIZVCOE-SFHVURJKSA-N 441.503 2.540 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 56945437 PNSKPADQZFZWGJ-NRFANRHFSA-N 442.535 2.847 0 40 IFAB O=C1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3CNC(=O)Nc3ccccc3)ccc2N1 58680311 JHTAQDNTAZNRFL-GOSISDBHSA-N 442.541 2.936 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccccc1Cl 67287314 QZPYZONNJPGQKS-IBGZPJMESA-N 449.935 2.786 0 40 IFAB Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)n1 70655634 MEDBAAWMHUGGIJ-UHFFFAOYSA-N 447.344 2.710 0 40 IFAB Cc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C)o1 72311708 FUWDICNMEIVREB-OAHLLOKOSA-N 428.407 2.543 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 72390527 GNMFEGDNQUIIPM-HNNXBMFYSA-N 446.554 2.655 0 40 IFAB CC1(C)NC(=O)N(CCC(=O)NC2CCN(CC3(c4ccccc4)CCCC3)CC2)C1=O 72393430 XRXFRPAJDQIYHC-UHFFFAOYSA-N 440.588 2.800 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)NCCn1ccc2ccc(Br)cc21 72401054 NRGYHHDBEZWBQM-UHFFFAOYSA-N 425.286 2.930 0 40 IFAB CCCCCCn1cc(S(=O)(=O)Nc2cccc(Br)c2)c(=O)[nH]c1=O 89953418 HONUYJXFBSONQW-UHFFFAOYSA-N 430.324 2.680 0 40 IFAB COc1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1 95409242 AWSFXPLDXHJPLR-FQEVSTJZSA-N 448.947 2.693 0 40 IFAB COC(=O)C1CCC(NC(=O)c2cc(Br)cn2C(C)C)(C(=O)OC)CC1 95455878 NNOGUMOBYTWYJP-UHFFFAOYSA-N 429.311 2.836 0 40 IFAB COc1cccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ccccn4)C[C@@H]3C2)c1 96251433 PDYCKZGNEXCDLG-LVXARBLLSA-N 448.567 2.975 0 40 IFAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]23)[C@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]42)cc1 100204947 ZGOYGPMYIGGZBU-PCVBXPLGSA-N 446.459 2.795 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4cccc(C)c4)nn3c(O)c2C1 100243001 IVUCZAZBHZPJPJ-JOCHJYFZSA-N 447.539 2.944 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 106022117 DIWBIBLNZXIFIW-HSSOGYSNSA-N 434.279 2.893 0 40 IFAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218096478 TXNPCUZOXBUYCO-DXIQSLLYSA-N 432.542 2.857 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)c1 222967244 OAOQYEXHXWMUBN-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 223649657 TWRYLFIJGLPTEB-UHFFFAOYSA-N 426.922 2.700 0 40 IFAB CS(=O)(=O)N[C@H](CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccc(F)cc1 225943885 LECLYPUNMXKXCL-HXUWFJFHSA-N 447.532 2.610 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)Cn3[nH]c(C)c(C)c3=O)C2)ncc1C(=O)Nc1ccccc1 257257779 KRARXUGZVOEOTP-GOSISDBHSA-N 448.527 2.550 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1F 257258914 KWBNIJUGNHKUAM-SFHVURJKSA-N 429.477 2.825 0 40 IFAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(C)nc(N)n1 257274695 NMELOQXEHRVECK-CZLVRFMKSA-N 433.556 2.983 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260800783 XBHTWLUYXAKLOA-MSOLQXFVSA-N 425.595 2.621 0 40 IFAB CN1c2ccccc2N(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)S1(=O)=O 390831303 RDHHGWNOUDAMSN-UHFFFAOYSA-N 447.991 2.756 0 40 IFAB CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(I)c1OC 409007740 RBSYGHADEQGXQS-XFFZJAGNSA-N 432.283 2.776 0 40 IFAB COc1cccc2nc(C[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3CC(=O)O)[nH]c12 514289098 OJPKLKMPRLWUGR-HOTGVXAUSA-N 443.525 2.916 0 40 IFAB biogenic,in-vitro O[C@]1(CNCc2cccc(OCCN3CCCCC3)c2)CCN(c2ccc(F)cn2)C1 585273182 PQCLHPQDJPXOKR-DEOSSOPVSA-N 428.552 2.816 0 40 IFAB COc1ccccc1Cc1nnc(S[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)o1 589275770 NBKFNAHNGVLUFH-QAPCUYQASA-N 432.546 2.510 0 40 IFAB Cn1nc2c(c1NC(=O)CN1C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]13)CSC2 604419809 ZKBQNKBPQBABME-OAQYLSRUSA-N 445.504 2.920 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775969733 IOMZAMZTUGLKND-CQSZACIVSA-N 444.326 2.999 0 40 IFAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1334969 SSVOMOJICLIRKF-LJQANCHMSA-N 428.496 2.512 0 40 IFAB COc1cccc(/C=c2\sc3n(c2=O)CN(c2cccc(Br)c2)CN=3)c1 2343318 OEEIHZOWSAQMLQ-MFOYZWKCSA-N 430.327 2.565 0 40 IFAB C[C@@H](CNC(=O)c1ccc2nc(N)sc2c1)NC(=O)c1ccc2nc(N)sc2c1 2797308 QWKGBJRXUYKNHA-VIFPVBQESA-N 426.527 2.619 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 3814193 VXFJYXUZANRPDJ-MQBSTWLZSA-N 430.545 2.773 0 40 IFAB in-man O=C(OCn1nnc2ccccc2c1=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 8881510 VKPPIKOXRGKMTP-UHFFFAOYSA-N 443.415 2.608 0 40 IFAB CCOc1ccc(N2C[C@H](CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1 9039644 MJIHMFNECGPQND-KRWDZBQOSA-N 427.501 2.955 0 40 IFAB CCN(CC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 9238840 YZFNBONPRWVJSB-HUUCEWRRSA-N 440.367 2.985 0 40 IFAB CCN(CC(=O)NCc1cccs1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 9710909 LKZZXMZKXNNLGQ-UHFFFAOYSA-N 442.585 2.564 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 9743261 UFDBINPBBBMRBI-GOSISDBHSA-N 433.505 2.514 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(C(C)=O)cc1 9761850 LSIJWPVCLFMKRV-UHFFFAOYSA-N 435.436 2.629 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCCOc3ccccc3)n2C)cc1OC 9973367 AQPZJKYBVDVCJT-UHFFFAOYSA-N 428.514 2.933 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 10026267 BXAIMLADVNIBNJ-SFHVURJKSA-N 446.507 2.930 0 40 IFAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1NS(C)(=O)=O 10112901 KTNQXEYKHVCJDR-INIZCTEOSA-N 431.514 2.528 0 40 IFAB C[C@@H]1Sc2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)cc2NC1=O 10374843 GPSUTCOHIDRPAK-AWEZNQCLSA-N 445.566 2.702 0 40 IFAB CC(C)C[C@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 10860504 MKQIIOWQCJODEN-LJQANCHMSA-N 434.448 2.537 0 40 IFAB COc1cccc(F)c1-c1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1 11866112 XDIQSXGWILBSPI-UHFFFAOYSA-N 435.502 2.844 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)CC1 12755268 QDFLEWZUUYODKI-UHFFFAOYSA-N 449.504 2.849 0 40 IFAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12770388 JKSCVIWFFKYLLD-YOEHRIQHSA-N 426.498 2.843 0 40 IFAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)cnc21 12774754 DPGYMHXUTWUASJ-KRWDZBQOSA-N 431.493 2.943 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)CCOc1ccccc1F 12860408 CNAHMNJKQULHAR-QGZVFWFLSA-N 449.548 2.948 0 40 IFAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 12917373 MXWGYXHFHBVGDG-UHFFFAOYSA-N 438.933 3.000 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 13128452 IIALHVOAKODKED-UYAOXDASSA-N 429.542 2.959 0 40 IFAB COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccs1 13150805 ITRKVJJQWKYLQN-FQEVSTJZSA-N 447.557 2.736 0 40 IFAB Cn1c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nnc1-c1ccc(F)cc1 14639178 OHUHFZDVYKHHPJ-UHFFFAOYSA-N 447.580 2.865 0 40 IFAB COc1cccc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 16960585 ABQYIGWGBLNZRR-HNNXBMFYSA-N 448.526 2.989 0 40 IFAB CC(=O)NCCn1cc2c(n1)[C@H]1CN(C(=O)C(c3ccccc3)c3ccccc3)C[C@H]1C2 19021873 HBVBUIFZEVYSFQ-GGAORHGYSA-N 428.536 2.949 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 19293725 KSCVYLLMYJLFHC-HXUWFJFHSA-N 438.503 2.500 0 40 IFAB O=C(CN1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1)NCCOc1ccccc1 19373530 FLXDBZNQOOBETH-SQJMNOBHSA-N 439.531 2.849 0 40 IFAB C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 19463439 VVKVLSORIMQOKI-XAUMDUMWSA-N 426.561 2.945 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 19694655 LFFPOKYYULIOOC-LJQANCHMSA-N 441.551 2.777 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)c3cnccn3)nc21 19740005 XSMHJLFKSMHVMN-IBGZPJMESA-N 444.495 2.650 0 40 IFAB Cc1nc([C@H]2CCCCN2S(C)(=O)=O)nc2c1CC(=O)N2CCCc1ccccc1 19740247 DTMJDGVDDFAFMS-LJQANCHMSA-N 428.558 2.794 0 40 IFAB CNC(=O)c1cc([C@@H]2CCN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C2)nc2ccccc12 19762663 BUSGYOSLNSHWKX-MRXNPFEDSA-N 444.491 2.827 0 40 IFAB COc1ccc(C2(C(=O)N3CCCC[C@@H]3c3ncc(C(N)=O)c(C)n3)CCOCC2)cc1 19764535 QVTKAJNNYOJKMQ-HXUWFJFHSA-N 438.528 2.695 0 40 IFAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 20043542 HVQWNHCCZYVFGG-UHFFFAOYSA-N 439.493 2.740 0 40 IFAB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCCc1ccccc1 20730773 LZRJMGLYQFJPJE-KRWDZBQOSA-N 435.480 2.838 0 40 IFAB NC(=O)[C@@H]1CCCN1c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 22225570 MZNWNUCEQVIGQY-AWEZNQCLSA-N 429.571 2.706 0 40 IFAB O=C(N[C@@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1)c1ccccc1 22607240 SKAIOGCUQMBYET-ICSRJNTNSA-N 443.507 2.643 0 40 IFAB Cc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)cc1 23115098 ZHAVRIROEMXBRF-IBGZPJMESA-N 429.498 2.909 0 40 IFAB COc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@H]3C(=O)N(C)C)c2=S)cc1 24988842 VTHRRGOMWAJMKE-IBGZPJMESA-N 438.557 2.984 0 40 IFAB O=C(c1cc(Br)ccc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 25344706 SCRAKOMITLMNSI-UHFFFAOYSA-N 441.322 2.876 0 40 IFAB O=C(CNc1ccccc1I)NC(=O)NCCc1cccs1 30286363 ALRLNGRMECTZQY-UHFFFAOYSA-N 429.283 2.833 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)c(C)s1 32094547 RSVNRMFMUVXOQN-RDJZCZTQSA-N 446.598 2.989 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 39984819 BWKSILFASQWENC-UHFFFAOYSA-N 437.521 2.695 0 40 IFAB CC(C)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 40117077 FVWBOFIBIQFRBK-UHFFFAOYSA-N 436.574 2.896 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(N(C)C)cc4)CC3)nn2)cc1 49405974 GUHNEMFRCZQFHP-UHFFFAOYSA-N 432.528 2.676 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CCc2ncc(C(=O)O)c(NCc3ccccc3)n2)cc1 49469934 GEAANFZXWCUASJ-UHFFFAOYSA-N 440.525 2.822 0 40 IFAB CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C 58166279 BWKPGIDAJORUFY-QPPBQGQZSA-N 443.636 2.629 0 40 IFAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1 58170553 KTRJQNKRYDSJDA-LJQANCHMSA-N 444.539 2.728 0 40 IFAB CCC(CC)NC(=O)c1nnn(-c2cccc3c2CCN(S(=O)(=O)C(C)C)C3)c1C 71890383 CONNNUHEKTUZAJ-UHFFFAOYSA-N 433.578 2.590 0 40 IFAB CS(=O)(=O)Cc1noc(CN2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 72305147 KCXHIHWREWHKEJ-AWEZNQCLSA-N 447.344 2.914 0 40 IFAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccco3)CC1)CC2=O 72327722 GORZGXQTARBCPT-VOIUYBSRSA-N 440.496 2.752 0 40 IFAB CC(C)(CO)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccccc1 89761826 GSPQBJWYEDOIRB-OAQYLSRUSA-N 430.570 2.907 0 40 IFAB O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 89825927 HPAOSJQSWJRRTP-LEWJYISDSA-N 428.554 2.860 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220186579 XEXHUTOKOAANBO-HNNXBMFYSA-N 444.513 2.558 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1OC 222511724 IEUWCFZHPRLGGF-UHFFFAOYSA-N 426.922 2.726 0 40 IFAB Cc1ncsc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257239515 HPRQSZNSVUIFOI-HKUYNNGSSA-N 429.542 2.610 0 40 IFAB CCc1nc2ccccc2n1CCC(=O)N(C)C[C@@]1(O)CCCN(c2cc(C)ncn2)C1 257246597 IUVKFBMCVGOJFC-DEOSSOPVSA-N 436.560 2.577 0 40 IFAB C[C@H]1CN(c2nc(O)c3c(n2)CN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)C[C@H](C)O1 257293013 QNUMIIOHSBFBEM-IKGGRYGDSA-N 440.544 2.761 0 40 IFAB CN(C(=O)COCC(=O)O)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O 257336759 YPXZLIJRNSWQHY-HCLVMJGWSA-N 429.469 2.699 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1 257338192 YWJDLJGXEHASIZ-UHFFFAOYSA-N 442.946 2.552 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3OC)C2)cc1 260810595 IKIHWGYVHNILBM-IAGOWNOFSA-N 432.542 2.982 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 408556587 JPRYVHYQMBIOHB-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 408705598 JHSJHCSDOWTDCC-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 409061849 JCDJRKYMYPRMSD-ZEQRLZLVSA-O 443.527 2.777 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 409204559 IYCUUZCZADIRFJ-KRWDZBQOSA-N 449.548 2.630 0 40 IFAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 514290167 UWXRHRWNLKMLCV-REWPJTCUSA-N 448.995 2.575 0 40 IFAB biogenic,in-vitro CC(C)c1noc2ncc(C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)cc12 514908355 WSRMJIYLRKPAFY-LJQANCHMSA-N 436.468 2.613 0 40 IFAB O=C(NC1CCCCC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2ccccn2)C1 585107518 YSFLHVAGQMEZKG-XMMPIXPASA-N 436.560 2.533 0 40 IFAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2cccc(OCCN3CCCC3)c2)C1 585280664 QTAHTOLUGBPSCF-VWLOTQADSA-N 444.547 2.943 0 40 IFAB C=CC(=O)NCc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)cc1 1178820313 QZLCHBCFIIQRRC-UHFFFAOYSA-N 443.544 2.731 0 40 IFAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)c(OCC)c(OC)c1 959417 RYNQHEAJRRBOTN-CQSZACIVSA-N 438.282 2.695 0 40 IFAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 3430242 AAJSFKZIPJPULW-PMACEKPBSA-N 442.537 2.805 0 40 IFAB CN(C)CCCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 4089504 GMJGALLMKNTWLW-UHFFFAOYSA-N 428.529 2.832 0 40 IFAB biogenic COCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 6239029 GQUHFNNBEPXXRI-UHFFFAOYSA-N 431.558 2.955 0 40 IFAB CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6501046 AOFGVLWJDICWSU-INIZCTEOSA-N 443.573 2.694 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccccc2Br)cc1 8748931 XVBGMQLBINQLET-CYBMUJFWSA-N 441.347 2.956 0 40 IFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 9233075 YBUCHFWWUQXWTF-BOPFTXTBSA-N 426.450 2.913 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)c2O1 9336173 NOEFASZDELOPPX-XMMPIXPASA-N 437.496 2.753 0 40 IFAB CCCCn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 9420116 FMYMXFGSTIZROW-LJQANCHMSA-N 444.454 2.523 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 9448303 BQOVBGBYOWXBEH-FIKGOQFSSA-N 433.599 2.553 0 40 IFAB CN(CC(=O)NC[C@@H]1COc2ccccc2O1)CC(=O)Nc1c(Cl)cccc1Cl 9788983 XAJJNVBQNXTYQE-CYBMUJFWSA-N 438.311 2.820 0 40 IFAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cn1 10990791 REYBKIYEOPUZAG-UHFFFAOYSA-N 437.521 2.767 0 40 IFAB COCCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 12182102 SDPNICXFZPQEJG-BPQIPLTHSA-N 435.475 2.846 0 40 IFAB CCOc1ccccc1C(=O)NC1CCN(CC(=O)Nc2cc(OC)ccc2OC)CC1 12644338 VJBODMVJYRIMPW-UHFFFAOYSA-N 441.528 2.935 0 40 IFAB Cc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cc1 13040681 PDWKLCYFETYZDH-NRFANRHFSA-N 432.542 2.776 0 40 IFAB COCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1 13150604 BIFKPRLOPQLLCZ-LJQANCHMSA-N 431.558 2.609 0 40 IFAB CSc1ccccc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 13164370 AMFGJBDYFVSTIT-OAHLLOKOSA-N 429.542 2.927 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3cccc(F)c3)CC2)cc1 13514169 INFHNFKNGGLBHZ-INIZCTEOSA-N 447.532 2.678 0 40 IFAB COc1ccc(N2N=C(C(C)=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 13659695 AMOJUWNSOWNPJU-FUHWJXTLSA-N 442.269 2.781 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1 16045869 VTTRRRHSQFASEO-UHFFFAOYSA-N 427.276 2.980 0 40 IFAB Cc1cc(=O)c(C(=O)OCc2cc(=O)n3c(C)csc3n2)nn1-c1ccc(Cl)cc1 18525701 CILPOCWZDCBEEY-UHFFFAOYSA-N 442.884 2.929 0 40 IFAB CC(C)C(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)Cc4ccccn4)CC3)c2c1 19086247 MHCIZAGJDVLZPI-UHFFFAOYSA-N 435.528 2.622 0 40 IFAB COCCN(C(=O)c1ccc(Cn2cccn2)o1)c1nc2c(s1)CCc1c-2cnn1C 19289597 JNWWHZQRMNIOLC-UHFFFAOYSA-N 438.513 2.773 0 40 IFAB Cc1nonc1NC(=O)CN1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19698385 RTZMBBMWTZDSLV-FQEVSTJZSA-N 441.507 2.773 0 40 IFAB Cc1nc(C2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)nc2c1CCCN2CC1CC1 19705683 RLAKVMKPZGQCEG-GOSISDBHSA-N 441.620 2.622 0 40 IFAB CNC(=O)c1cc([C@H]2CCN(C(=O)CCNc3nc(C)cc(C)n3)C2)nc2ccccc12 19761056 VNBFAJXTRBMKBJ-KRWDZBQOSA-N 432.528 2.819 0 40 IFAB O=C(NCCO)c1cc([C@@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)nc2ccccc12 19762649 OFKWJVNEBIYZTO-MRXNPFEDSA-N 447.539 2.579 0 40 IFAB COC(=O)c1ccncc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20405295 CQCBELFEBPDXCG-UHFFFAOYSA-N 428.798 2.898 0 40 IFAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1C 21625353 YWJJQDQKQCLVMW-DZGCQCFKSA-N 441.575 2.648 0 40 IFAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCCc1c[nH]c2ccccc12 21689943 GSESSOOFMZKAJR-UHFFFAOYSA-N 435.509 2.857 0 40 IFAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 22804699 BXBYQMQFIZVNDO-UHFFFAOYSA-N 437.569 2.861 0 40 IFAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(CC(=O)N2CCCCCC2)CC1 22933752 QBHQPZALZRVLJG-QGZVFWFLSA-N 438.519 2.635 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 22960666 NOYCZNASKSACOK-GJZGRUSLSA-N 431.514 2.695 0 40 IFAB CCOc1ccccc1-c1nn(CN2CCN(CC(=O)NCC(C)C)CC2)c(=S)o1 23257165 XDQNYQVDVSASOV-UHFFFAOYSA-N 433.578 2.619 0 40 IFAB CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccccc2)NC(=O)N[C@H]1CC 23935391 XONWMZZQKZKPEA-HNNXBMFYSA-N 438.513 2.816 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)c1 29087485 XAQADCRFXBXASB-IBGZPJMESA-N 430.505 2.765 0 40 IFAB Cc1csc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)CCC(=O)N4)CC2)n1 30446446 LKFUSBLTBXYZMK-UHFFFAOYSA-N 426.951 2.501 0 40 IFAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C(C)=O)CC1 32740458 OICZAFNQVVGUOQ-KRWDZBQOSA-N 446.400 2.972 0 40 IFAB Cc1ccc2nc(CSCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc(=O)n2c1 36395168 BEVJGKQDNHXFHW-HNNXBMFYSA-N 425.510 2.885 0 40 IFAB CCOc1cc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F 39976672 PBEVBOVHAWDJKV-CYBMUJFWSA-N 429.445 2.804 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3)ccc21 40081824 KCSZBVJDKOETNM-IBGZPJMESA-N 443.507 2.762 0 40 IFAB Cn1ncc2c(N3CCC([C@H]4CCCCCN4C(=O)C4CCOCC4)CC3)ncnc21 69981771 QQXJXBYXZLPHSC-HXUWFJFHSA-N 426.565 2.778 0 40 IFAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)no1 71892595 BAJCMEQZOVKVPX-QFIPXVFZSA-N 444.495 2.997 0 40 IFAB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 72191472 NTENQHDWPSYBHC-UHFFFAOYSA-N 443.460 2.564 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@H]3C(=O)N1CCN(C(C)C)CC1)NC2=O 72339177 FFOCZTRFLMQFOT-RFVJQGCGSA-N 427.545 2.503 0 40 IFAB COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)c(OC)c1 72393925 IFXRODXFMIYCSF-HNNXBMFYSA-N 437.500 2.750 0 40 IFAB O=c1ccccn1CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 97001923 IHAONNZLQZNXHB-UHFFFAOYSA-N 440.344 2.713 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)nn2c(O)c1C 100138787 CJDNHRAXJUSMPK-HNAYVOBHSA-N 432.484 2.686 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)c1C 102448888 GEJMDFBCQYJMCP-SNTCSEMISA-N 430.501 2.619 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(I)c1 102804057 VCWRXYGZYQWZOW-KBPBESRZSA-N 426.254 2.795 0 40 IFAB COC(=O)CC[Sn](Br)(Br)c1ccccc1 195774368 DRXLKRNVXNIPFD-UHFFFAOYSA-L 442.723 2.689 0 40 IFAB COC(=O)c1cn(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c2ccccc12 222603589 GUKZIYRAPFYIEG-UHFFFAOYSA-N 442.493 2.910 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)NC(C)C 222698570 OYWBZGXYNHQDAO-AWEZNQCLSA-N 434.514 2.644 0 40 IFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)C1 247951955 SZOITKIURBBZOI-GUDVDZBRSA-N 433.556 2.888 0 40 IFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CCc1c[nH]c3ccccc13)CC2 257216538 CUYQMUHUYFJNBZ-SFHVURJKSA-N 446.555 2.853 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1OC 408590592 JXKJFIHMEGGKOD-UHFFFAOYSA-N 433.530 2.853 0 40 IFAB CCOC(=O)CNc1nc(Cl)nc(Nc2ccc(I)cc2)n1 848424 HPZFWDCPVYRSNA-UHFFFAOYSA-N 433.637 2.848 0 40 IFAB CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3CCC[C@H](C)C3)nnc12 1325932 LBJQVZAYMXTTMV-HNNXBMFYSA-N 428.562 2.559 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1OC 2305428 DUBSORMYUKZIFB-JKALPCAWSA-N 438.505 2.708 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccc(F)cc2)CC1 2620565 FQVMWYMAUFIXEN-UHFFFAOYSA-N 437.562 2.637 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(F)cc3)C2)cc1 9059509 SSCJXOYGPDSVLQ-GOSISDBHSA-N 433.461 2.740 0 40 IFAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)N[C@H](C(=O)O)c1ccccc1 9129232 XGRWZWVBRCTRNF-UNMCSNQZSA-N 449.507 2.878 0 40 IFAB biogenic COC(=O)c1c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)sc2c1CC(C)(C)OC2 9134756 RCPYAKUUYNZYIL-UHFFFAOYSA-N 447.513 2.969 0 40 IFAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)O[C@H]1CCS(=O)(=O)C1 9224200 XKCAECQIHKHXDS-KRWDZBQOSA-N 447.513 2.896 0 40 IFAB Cc1cccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 9506898 ZBCPIYPZNKSMKT-LBPRGKRZSA-N 442.570 2.987 0 40 IFAB COc1ccc(N2CCn3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nnc32)cc1 9574035 FQZXXMNVXHKKJD-UHFFFAOYSA-N 439.497 2.940 0 40 IFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9639789 RIOQNCWPGDQXAT-UHFFFAOYSA-N 433.468 2.795 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1C(=O)N1CCCCC1 10544250 MFWKPZPXQFCNFX-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)cc1 12182278 AEMYEPBOAKOZOA-UHFFFAOYSA-N 435.933 2.914 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)c(C)c2)c2c(C(N)=O)nc(-c3cccs3)nc21 12236905 RXFHKYKYULGASA-UHFFFAOYSA-N 435.509 2.940 0 40 IFAB Nc1nc(N2CCCC2)nc2c1CCN(Cc1cc3c(cc1Br)OCO3)C2 12338382 XSSSZCVMJQUYTA-UHFFFAOYSA-N 432.322 2.709 0 40 IFAB COC(=O)c1cc(NCC(=O)Nc2cc3c(cc2Cl)OCCO3)cc(C(=O)OC)c1 12528652 ATPMLVWXGPNKRN-UHFFFAOYSA-N 434.832 2.735 0 40 IFAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 12975339 FOHYOGJZTUSWBV-QGZVFWFLSA-N 436.530 2.814 0 40 IFAB Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)n2N)n1 12976697 GYFYOFHNRLWCSC-LFPRZYRFSA-N 429.594 2.608 0 40 IFAB O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 15434382 KOJUDDHXFSVGTL-UHFFFAOYSA-N 427.448 2.818 0 40 IFAB CS(=O)(=O)CC[C@H](C(=O)Nc1cccc2c1CCCC2)N1C(=O)c2ccccc2C1=O 15582639 USYJUKQPYUWSPT-HXUWFJFHSA-N 440.521 2.603 0 40 IFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15970187 KORZJRHCDXYWAD-ICWKFXDJSA-N 442.519 2.930 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2nc(C)nc2C)C1 19285704 QPMFAYWSRQFMKS-QHCPKHFHSA-N 437.569 2.831 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)C3)cc2n1 19522360 QBLJXXXIBMDGOM-UONOGXRCSA-N 437.466 2.883 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)c1 19692725 ZYLXKCGPVJCKJQ-OAQYLSRUSA-N 448.527 2.839 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(S(=O)(=O)c2ccccc2OC)C1 19702501 RNFBZFNVZXGYKB-CYBMUJFWSA-N 431.539 2.843 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CN4CCCCC4)C3)nc2C)cc1 19766239 YHCRFHWGWSFPOY-SFHVURJKSA-N 437.544 2.848 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)c(Cl)c1 20023261 OWJCYCONPNACOD-UHFFFAOYSA-N 430.885 2.730 0 40 IFAB COc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c(OC)cc1Cl 20245868 WNZPSYVOCBHFHY-UHFFFAOYSA-N 427.910 2.852 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@H]3c1cccc(F)c1 20308467 MIKPPJKQHIGKLS-NRFANRHFSA-N 438.455 2.818 0 40 IFAB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)o1 23805727 AZQXKIVJJHKUQN-MRXNPFEDSA-N 429.336 2.702 0 40 IFAB CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1 32780658 AHGZUYAQVCMWOR-QFBILLFUSA-N 434.945 2.847 0 40 IFAB CC(C)[C@@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 35388172 TZBSHODOWADBFX-GBXCKJPGSA-N 437.540 2.573 0 40 IFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(C(=O)OCC)CC1 35999886 QMWZRHKBCAYKNN-CYBMUJFWSA-N 434.468 2.585 0 40 IFAB COC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cn(C(F)F)nc2C)o1 36615059 LKOCIPDMSVLCBU-UHFFFAOYSA-N 429.401 2.950 0 40 IFAB CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)CC1 38207000 VXTRFHPIUXAXML-GUYCJALGSA-N 437.422 2.660 0 40 IFAB Cc1noc([C@H]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2)n1 40156235 VTQVEILARUYBTG-IBGZPJMESA-N 446.573 2.802 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Cc2ccccc2)C[C@H](C)O1 48254012 NGODZMZVKPYIJB-ROUUACIJSA-N 431.558 2.838 0 40 IFAB O=C(Cc1cccs1)NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 49406171 LWZBVWFQCCVBLX-UHFFFAOYSA-N 429.933 2.946 0 40 IFAB Cc1c(C(=O)N2CCN(c3ccccn3)CC2)nnn1-c1ccc(Br)cc1 51317472 HRVHZXDGGCMRLX-UHFFFAOYSA-N 427.306 2.696 0 40 IFAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(OC)cc3)cc2)s1 54360551 HPTHJOUYKLSTBJ-UHFFFAOYSA-N 448.526 2.927 0 40 IFAB COc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccccc4)c3=O)n2)cc1OC 64998807 GWGBCGQKFLECCJ-UHFFFAOYSA-N 446.463 2.899 0 40 IFAB O=C(c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)N1CCN(c2ncccn2)CC1 67262917 VZHHMBMOLBIBDM-UHFFFAOYSA-N 446.902 2.735 0 40 IFAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1N(Cc1ncc[nH]1)Cc1ncc[nH]1 67889716 CVBWIHCYVVPXOP-XLIONFOSSA-N 439.564 2.613 0 40 IFAB biogenic,in-vitro CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)CCn1cnc2ccccc2c1=O 78877564 VUOOHZJIBBIEAB-FUHWJXTLSA-N 428.533 2.986 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCSCC1 80332319 QPZLDIDTMCWNTJ-CYBMUJFWSA-N 431.389 2.789 0 40 IFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1cccnc1 80332759 HWRALHYKBOMOHS-HXUWFJFHSA-N 429.952 2.908 0 40 IFAB O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1csc(I)c1 89834867 BWAAWVZMZQJGFK-HUUCEWRRSA-N 442.322 2.718 0 40 IFAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc(OC)c1OC 95479537 YNLPQFJMEWRCIP-NSHDSACASA-N 428.420 2.719 0 40 IFAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 96011734 BGSKLVSNAOEQGL-ZLNRFVROSA-N 427.589 2.688 0 40 IFAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3cn(C)c4ccccc34)CC2)O1 96144755 YAOCTTNHWXZRON-NRFANRHFSA-N 449.555 2.677 0 40 IFAB COc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c(OC)c1 100728426 PIURGSKGDTUGEQ-IRXDYDNUSA-N 429.517 2.631 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 220173077 UJWPAELIVABHPE-HNNXBMFYSA-N 433.530 2.628 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222412145 SSOKEBAJRXYCTB-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CC1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 225562299 ZRJBZFWVYNESJZ-IBGZPJMESA-N 430.526 2.740 0 40 IFAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)N2CCOCC2)C1 225765676 YISSZKJLHMMHPU-ZVPUSRDESA-N 444.553 2.807 0 40 IFAB CCC(CC)C(=O)N1[C@H]2CCCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)OCO2 227136049 NTJMUTZDJGUNKR-OKZBNKHCSA-N 429.517 2.818 0 40 IFAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(N3C[C@@H](C)O[C@H](C)C3)nc2C1 257293012 QNUMIIOHSBFBEM-BRWVUGGUSA-N 440.544 2.761 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(Cl)c2)cc1 408597492 WZQRGEQHZZSDTP-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)c1 408655782 MEYAMBSUFVDGOH-LJQANCHMSA-N 445.475 2.823 0 40 IFAB CCC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC 408696857 FIVKMLQIFSFAQN-UHFFFAOYSA-N 433.530 2.563 0 40 IFAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409059992 UBCZUARZSZEQJG-WSBKAMHLSA-O 448.474 2.859 0 40 IFAB CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)C1 557909861 IOEVPRHNSMPCTO-KRWDZBQOSA-N 432.933 2.833 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)c1 585107183 QSLKWQIHAFTOPV-ZEQKJWHPSA-N 435.568 2.702 0 40 IFAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)c1 585274708 YUDJYDCPYZOIEJ-HSZRJFAPSA-N 446.931 2.899 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(C(=O)c1ccncc1)CC2 1549168301 URJOMLUHDVKKRN-QFIPXVFZSA-N 446.551 2.937 0 40 IFAB CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]21 1848356582 ZMYJKZNBGNNVQY-PJVPTRPFSA-N 443.588 2.783 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(Br)cn2)CC1 1888881741 ALVIWAUYPINQPZ-CQSZACIVSA-N 445.317 2.662 0 40 IFAB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3F)C2)cc1 645108 GJQVPMNSUYCZAY-SFHVURJKSA-N 425.507 2.698 0 40 IFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)n1 704267 ASNQBPSYZGXIDK-UHFFFAOYSA-N 426.454 2.845 0 40 IFAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)C(C)C 3280481 HDOCQNQRONVXGF-NRFANRHFSA-N 442.468 2.750 0 40 IFAB CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3536514 JRBKCNNBHYBXPU-UHFFFAOYSA-N 432.452 2.990 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1)c1cnccn1 4259085 YRFIWUBJFCGCFN-LSDHHAIUSA-N 448.458 2.681 0 40 IFAB biogenic,in-vitro CCn1c(SCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)nnc1C1CC1 9376490 KYUGSBSNENQHHQ-UHFFFAOYSA-N 437.323 2.838 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 9537104 VDVCWGMNWFSXNK-UHFFFAOYSA-N 449.507 2.962 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 9570221 NSCLHRMJDHLQDY-UHFFFAOYSA-N 441.475 2.587 0 40 IFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc2c(cc1Br)OCCO2 9672643 DFVPEXNQWFGWLX-LLVKDONJSA-N 439.331 2.819 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849246 JWUUETYFOULJAA-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 9985723 ZAMDARDTLLPZIE-UHFFFAOYSA-N 437.521 2.978 0 40 IFAB CCOc1cc(Br)c(CC(=O)N2CCN(c3cnccn3)CC2)cc1OCC 11545141 WJRNSQARJNDYMH-UHFFFAOYSA-N 449.349 2.928 0 40 IFAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccccc2F)CC1 11613618 WEGDISVOMYRFOD-HNNXBMFYSA-N 428.533 2.647 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719848 MYIOLKZSVJCTLS-GFCCVEGCSA-N 429.514 2.796 0 40 IFAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCCCCC2)c1 11898701 ZZCKKWDGYJXISB-HXUWFJFHSA-N 428.533 2.714 0 40 IFAB CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(S(=O)(=O)CC)CC1 12156678 CAYHSRZXQUDGFL-KRWDZBQOSA-N 426.510 2.704 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2CCC(C)C)n1 12231647 QHUFINKTUAFJPA-UHFFFAOYSA-N 438.507 2.933 0 40 IFAB Cc1ccn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 12540030 RDKJRKBVAPHQSG-UHFFFAOYSA-N 434.521 2.943 0 40 IFAB CCCn1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c2ccccc2c1=O 12556314 XEURMXOEROVBHV-UHFFFAOYSA-N 431.456 2.674 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 12563180 IDRBIFAUQDBINC-UHFFFAOYSA-N 425.510 2.528 0 40 IFAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 12761784 PQATUAZIGSMRHW-HOCLYGCPSA-N 446.447 2.796 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1c(C)cccc12 12890189 BQDLWEHAVJYOKK-PDJBRUORSA-N 429.904 2.802 0 40 IFAB biogenic CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1 12902252 YPJYQSDWOTUFIP-UHFFFAOYSA-N 432.567 2.976 0 40 IFAB C[C@@H]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2S1 13038550 ULDGJIUMFMZBER-GOSISDBHSA-N 445.610 2.910 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1 13554489 OJUNXWCXLGPULU-GJDLODDASA-N 427.526 2.697 0 40 IFAB O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@H]2C1 13731880 MINDMHTZAPEIRD-IRXDYDNUSA-N 432.523 2.569 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 13987035 HPTRCKVVSZPRLZ-UHFFFAOYSA-N 432.470 2.622 0 40 IFAB COc1cc(CC(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)cc(OC)c1OC 19289548 WJOLVJOUVGSRTA-UHFFFAOYSA-N 428.514 2.874 0 40 IFAB C[C@H](C(=O)N1CC[C@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459032 WYUUSSLKNWGKSU-RXVVDRJESA-N 443.551 2.843 0 40 IFAB COC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)s1 19592549 MONICTGGGGHKEW-UHFFFAOYSA-N 428.466 2.601 0 40 IFAB O=C(CCN1CCC([C@H]2CC=CCN(CCc3ccccc3)C2=O)CC1)N1CCOCC1 19698375 GKGQNEDUFXQACB-XMMPIXPASA-N 439.600 2.595 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2F)n1N 21108807 DNODSUOMZKZAPJ-CYBMUJFWSA-N 440.504 2.578 0 40 IFAB CN(CC(=O)N1CCN(Cc2cccc3ccccc23)CC1)S(=O)(=O)c1cccs1 22088953 KGTQXKDEYXHBLT-UHFFFAOYSA-N 443.594 2.866 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(NC(C)=O)c1 22253023 CMANMQJINUMQMF-UHFFFAOYSA-N 435.502 2.700 0 40 IFAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1OC 22699445 VKDPJKFOGBORPE-QGZVFWFLSA-N 434.514 2.804 0 40 IFAB O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2 23129039 GKEVFARPFLKBBO-UHFFFAOYSA-N 429.446 2.613 0 40 IFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 23819968 ZAFACPVDTSZJJG-NRFANRHFSA-N 432.524 2.631 0 40 IFAB Cc1cc(C)n(C2=Nc3sc4c(c3[C@H](NCCCN3CCOCC3)N2)CCCC4)n1 28286562 CBBASLQSBOHMIE-HXUWFJFHSA-N 428.606 2.890 0 40 IFAB Cc1cc(=O)c(C(=O)NCc2nnc3ccccn23)nn1-c1ccccc1C(F)(F)F 32744747 FKHNHXHHDBPVEK-UHFFFAOYSA-N 428.374 2.532 0 40 IFAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1cc(Br)ccc1F)CC(=O)N2 33088114 MDBZPOBUSGUORU-LBPRGKRZSA-N 442.252 2.994 0 40 IFAB Cc1ccc2nc(CSCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc(=O)n2c1 36395169 BEVJGKQDNHXFHW-OAHLLOKOSA-N 425.510 2.885 0 40 IFAB O=C(NCCCS(=O)(=O)Cc1ccccc1)c1nc(N2CCCCC2)ncc1Cl 40154320 LVCKAJFMXPXZHG-UHFFFAOYSA-N 436.965 2.855 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 44840286 XVSUMRDLGONSSV-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB CCCCc1nc(C)c(C(=O)N2CCN(c3nn4c(C)cc(=O)nc4s3)CC2)s1 48278900 IOQMTSOSPBEQFH-UHFFFAOYSA-N 432.575 2.529 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)cc1 56907379 AFANIVHAICLMGQ-UHFFFAOYSA-N 441.557 2.835 0 40 IFAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)CCN2CCSC2=O)C1 71818930 DRZJVFFQLWXARF-LBPRGKRZSA-N 441.351 2.580 0 40 IFAB O=C(O)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228497 AHJREFUHIOBSIU-INIZCTEOSA-N 427.888 2.740 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 89552940 MPNDMXZRNOTEOE-GOEBONIOSA-N 439.468 2.577 0 40 IFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[S@](=O)Cc2ccc(Br)cc2)C1 95435221 UOTIAQRGCTWGER-DXPJPUQTSA-N 443.407 2.709 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3ccc4ccccc43)CC2)cc1 95473460 ZYTNXQKDPOXSBQ-UHFFFAOYSA-N 441.553 2.867 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95475484 NYQXSYKQQRFHML-LBPRGKRZSA-N 425.420 2.661 0 40 IFAB CC[C@@H]1CCCCN1C(=O)COC(=O)C(C)(C)C(=O)OCC(=O)N1CCCC[C@H]1CC 95995797 GVSRLJZBJIDXEA-QZTJIDSGSA-N 438.565 2.681 0 40 IFAB COC(=O)c1ccnc2cc(I)n(S(=O)(=O)c3ccccc3)c12 96321344 YNYOYAFVDIEPNS-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 100563786 NEDALZTUYWOKAR-AEFFLSMTSA-N 427.844 2.646 0 40 IFAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(OC)cc1 139109657 QEJGZXVOGCBZPE-GOEBONIOSA-N 425.489 2.612 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220204997 RPICONWCTINXNA-HNNXBMFYSA-N 436.530 2.526 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3)cc2)cc1OC 224938439 QTTMAKMJETXHKN-UHFFFAOYSA-N 433.530 2.563 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCCCCC1 224981377 JWQWMPWDKKANJR-FQEVSTJZSA-N 425.595 2.622 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)c1 225484072 SOEXZZBISXBAJP-CQSZACIVSA-N 438.571 2.924 0 40 IFAB CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 245230265 OLYMSKIHWOMGRD-VDVULAQNSA-N 446.500 2.924 0 40 IFAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)CN4CCc5ccccc5C4)CCO3)n2)nn1C 257322249 WFESTYBHCHEPQR-JOCHJYFZSA-N 446.555 2.825 0 40 IFAB COc1cc2c(cc1OC)[C@H](NC(=O)CCc1nnc3ccc(OC(C)C)nn13)CC2 524733656 AMDULWLXOWAOSH-MRXNPFEDSA-N 425.489 2.665 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCC3CCN(C)CC3)ccc21 643584256 JVKGFXSFGQEVQG-UHFFFAOYSA-N 444.620 2.791 0 40 IFAB CCc1ccc2c(COC(=O)CNS(=O)(=O)/C=C/c3ccccc3)cc(=O)oc2c1 3367365 RZEKXJOTUMJXJM-ZHACJKMWSA-N 427.478 2.989 0 40 IFAB COCCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 6300119 ZTEXKMKUYCLDHZ-UHFFFAOYSA-N 429.908 2.504 0 40 IFAB Cc1nc2cc(C(=O)OCC(=O)NCCCN3CCCC3=O)ccc2n1-c1ccccc1 8724994 TWZDHAFLENHEDR-UHFFFAOYSA-N 434.496 2.619 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1C)c1ccccc12 8843684 NIJWJHLDYJEOAV-QFIPXVFZSA-N 438.509 2.576 0 40 IFAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)oc(C)c12 8921073 BBLDLVQOZPTHTF-UHFFFAOYSA-N 441.425 2.642 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)cc2OC)C[S@](=O)C3)cc1 9413845 DGDGRNRGEDCLTL-SSEXGKCCSA-N 427.482 2.913 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc(OC)c1 11164208 LJQTZNSOKHYCLX-CMDGGOBGSA-N 430.526 2.687 0 40 IFAB O=C(CSc1nnnn1Cc1ccco1)NC1(c2ccc3c(c2)OCCO3)CCCC1 11314639 DSFQETNGTUDBTM-UHFFFAOYSA-N 441.513 2.763 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnc(N3CCCC3)n2C2CC2)sc2c1CCC2 11376562 RHZNZNFFIMXIOD-UHFFFAOYSA-N 432.575 2.593 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(OC)cc2)c2c(C(N)=O)nc(-c3ccc(C)cc3)nc21 12276784 RDTVNSBKYVXDQI-UHFFFAOYSA-N 445.479 2.579 0 40 IFAB COc1ccc([C@H](NS(C)(=O)=O)c2nccc3cc(OC)c(OC)cc23)cc1OC 12371242 RZWNYZVIUAKMDP-FQEVSTJZSA-N 432.498 2.908 0 40 IFAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCN(Cc2c(F)cccc2Cl)CC1 12555002 NNAMWBKUYATISU-UHFFFAOYSA-N 446.954 2.651 0 40 IFAB CCSc1nnc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)cc2)s1 12599008 OJUPOEAWFJDNHW-AWEZNQCLSA-N 444.604 2.990 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 12690092 KRDMRCLJBGNRIZ-UHFFFAOYSA-N 432.586 2.787 0 40 IFAB O=C(c1csc(-c2cccs2)n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12792030 QDAFIUPASDUSCY-QGZVFWFLSA-N 441.534 2.996 0 40 IFAB CCn1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(=O)c2cc3c(cc21)OCO3 13732417 SPHMPZKJNUGKAV-UHFFFAOYSA-N 435.480 2.835 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)n2)cc1 14180333 VPAXTSKYISBHKH-FQEVSTJZSA-N 447.524 2.855 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 17040881 LCLWPFLLCXCIRB-UHFFFAOYSA-N 430.526 2.657 0 40 IFAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)C1 19376203 YFQVSWWJJSSXKA-VQTJNVASSA-N 429.524 2.967 0 40 IFAB Cn1nc(C(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)ccc1=O 19743978 BGMCDBPHTIOMHE-OAQYLSRUSA-N 436.556 2.504 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)C3)C1 19744584 IEGSEIVGCIQIMU-INIZCTEOSA-N 432.521 2.543 0 40 IFAB CN1CCN(C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)[C@H](c2ccccc2)C1 19749463 JDIJSQAFRYRUIH-QFIPXVFZSA-N 435.503 2.719 0 40 IFAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(S(=O)(=O)c3cn(C(C)C)nc3C)C2)nc1C 19757376 RUHKSEOCEIVJTQ-QGZVFWFLSA-N 448.593 2.531 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nc2C)cc1 19765111 ACMHROWSKMSOOT-MRXNPFEDSA-N 432.484 2.856 0 40 IFAB O=S1(=O)C=C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 20553676 ZNONECZVYKGCGR-OAHLLOKOSA-N 428.329 2.955 0 40 IFAB CSc1nc(C)c(CCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(=O)[nH]1 22392845 QLLKKCDZPVRXES-UHFFFAOYSA-N 428.558 2.675 0 40 IFAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(F)cc2)CC1 22796298 MJZSUVSSNLFJSO-LJQANCHMSA-N 436.890 2.662 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1OC 28038915 KJMGGTZVHCETMZ-UHFFFAOYSA-N 432.542 2.857 0 40 IFAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NC[C@H]5CCCO5)cnc4c3cc2CO1 32074535 GKBVDDIHZIJTGV-PEBXRYMYSA-N 442.541 2.543 0 40 IFAB CC(C)[C@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc2c(c1)OCCCO2 36390031 UCZGPXKTXMGHSH-NRFANRHFSA-N 430.574 2.940 0 40 IFAB O=C(CCn1c(=O)cc(C(F)F)c2cn(C3CCCC3)nc21)N1CCN2CCC[C@@H]2C1 36621455 YGAZCYVPNPJDSH-MRXNPFEDSA-N 433.503 2.947 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38848962 AHFKNNBRIVGWGY-NRFANRHFSA-N 446.569 2.879 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 48279235 ATBRDBAVQYXILK-SFHVURJKSA-N 447.580 2.614 0 40 IFAB CC(C)c1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2N)cc1 67336147 UNICRMMJUVVFKR-UHFFFAOYSA-N 438.557 2.737 0 40 IFAB C[C@H](C(=O)N1CC[C@H](c2ccccc2)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326721 MIFNXXLMGPXENM-FXABVQRQSA-N 447.535 2.922 0 40 IFAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)n1 72337231 OSWCWTKCHUSGPC-UHFFFAOYSA-N 440.592 2.565 0 40 IFAB CNc1cc([C@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)CC3CCCC3)CC2)n1 72341544 JENGWNBVYJJVTE-IBGZPJMESA-N 443.592 2.767 0 40 IFAB O=C1C[C@@H]([C@H]2CCCN(C(=O)CCn3nc(O)ccc3=O)C2)Oc2ccc3ccccc3c21 72342306 WTFNJXAJINRQBU-UWJYYQICSA-N 447.491 2.765 0 40 IFAB Cc1cc2ncn(C[C@@H](O)CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)c2cc1C 89609008 IKQPDKSGTMTUFD-SFHVURJKSA-N 437.496 2.565 0 40 IFAB COc1ccc(N2CCC[C@@H](C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)C2)nn1 96231878 OZVFBFFWIBOEEH-GOSISDBHSA-N 427.524 2.622 0 40 IFAB CCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)cc1 96241050 FNMNWCGKRFMCQN-FQEVSTJZSA-N 429.542 2.700 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c1 100707246 NLBSLEPPARVKET-DLBZAZTESA-N 429.889 2.994 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)cc2)nc(C)n1 102332177 CRDFRHIEYSAUMV-QAMTZSDWSA-N 444.513 2.580 0 40 IFAB COc1ccc(CCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1OC 222492386 QHCFFLFZLAJILW-UHFFFAOYSA-N 426.922 2.726 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccccc1)c1ccc2c(c1)OCCO2 222673633 BEKPABAGNPHYJT-UHFFFAOYSA-N 432.542 2.753 0 40 IFAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222984163 CIZYMTOTQVNSCH-NRSPTQNISA-N 439.556 2.661 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1CCN1CCOCC1 223134766 BNXQEPHNXVNXRU-FCHUYYIVSA-N 437.569 2.829 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1Cl 224160088 JREOJSNIDWRBMI-UHFFFAOYSA-N 443.928 2.596 0 40 IFAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224249247 WZCCFGOBGOMXOE-IBGZPJMESA-N 440.949 2.943 0 40 IFAB Cc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1N1CCCCS1(=O)=O 224517236 BJLNFEUNCJDKCS-UHFFFAOYSA-N 430.526 2.968 0 40 IFAB CSc1nnc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)s1 224851805 ZHRPKXTUPAYGKP-UHFFFAOYSA-N 427.360 2.972 0 40 IFAB Cc1ccc(-c2noc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)n2)cc1 225817322 QZXZLCZPYYISIG-UHFFFAOYSA-N 431.543 2.927 0 40 IFAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1CO 247879835 IJQKWVHSIMOULQ-WUMKDDEVSA-N 439.556 2.831 0 40 IFAB Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)c2ccccc2c1=O 257198672 FRVAKXNDVPTLIH-RHDWJPPYSA-N 432.568 2.898 0 40 IFAB COc1ccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)nc(C)n4C)CCN2C(C)=O)cc1 257221553 DPOFLYJZUJEFCT-QHCPKHFHSA-N 435.528 2.734 0 40 IFAB CN1CCN(Cc2cccc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)c2)CC1 257226696 FLTDEYBAJCFAPT-UHFFFAOYSA-N 441.475 2.572 0 40 IFAB CC(C)n1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)ccc21 257265937 MAYFQINDNVCNRP-FGZHOGPDSA-N 431.496 2.729 0 40 IFAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2O)CC1 257290690 QDYMDFRTJGSWKW-WOIUINJBSA-N 445.947 2.776 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)C1 257299836 RRTZJNPFNWLFGP-AREMUKBSSA-N 448.567 2.630 0 40 IFAB NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)C1 257305432 SPYZOHYTVXGUKF-DEOSSOPVSA-N 425.504 2.606 0 40 IFAB Cc1nonc1CN(C)C(=O)[C@]1(C)CCCN(C(=O)c2cccc(Cn3ccnc3)c2)C1 257316508 VFXDTZRQACERGJ-HSZRJFAPSA-N 436.516 2.524 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260769872 SEJBHNULIFBKTI-JKSUJKDBSA-N 431.549 2.890 0 40 IFAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)ccc1OCC 408587402 UVEPTLOQICTETH-UHFFFAOYSA-N 428.507 2.618 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 408662863 NYGPFZSIXUGCRB-KDIGXEEGSA-N 446.459 2.802 0 40 IFAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575420584 DDBLADWKBQVPRT-MRXNPFEDSA-N 444.372 2.827 0 40 IFAB O=S1(=O)CC[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575424120 SRXWFXWKPPSYCQ-HNNXBMFYSA-N 430.345 2.832 0 40 IFAB CCOc1ccccc1-c1cc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)n[nH]1 1627736260 RQMXFEWFNRRILL-UHFFFAOYSA-N 440.525 2.929 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c(C)c1 1289195 NSOKKAFQUSVQNR-KRWDZBQOSA-N 436.464 2.874 0 40 IFAB O=C(NC(=S)NNS(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 2690748 GCSLNKLKQXWGPR-UHFFFAOYSA-N 425.535 2.703 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c(C)c1 3321135 OVMMLBHBEHVVOR-SFHVURJKSA-N 434.489 2.778 0 40 IFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3421636 PNQHFGKFYJSJHU-UHFFFAOYSA-N 446.920 2.743 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1 3608404 KJBJGVARZUEMNI-XVNBXDOJSA-N 438.452 2.646 0 40 IFAB Cn1cc(CN2C(=S)N(c3ccccc3)[C@@H]3[C@H]4C[C@@H](O)[C@H](OC4=O)[C@@H]32)c2ccccc21 8253846 KYWKNHIARDBIDJ-FYKMYLNBSA-N 433.533 2.829 0 40 IFAB biogenic,in-vitro COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 8768530 CKHJHVVPWZDFCA-UHFFFAOYSA-N 436.486 2.513 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1CN1c2cccc3cccc(c23)S1(=O)=O 9120606 BWLPKBVYXCCKNQ-UHFFFAOYSA-N 432.479 2.766 0 40 IFAB CC(C)(C)NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 9519843 DDMWDTKLHCVXAD-UHFFFAOYSA-N 433.574 2.732 0 40 IFAB NC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)CC1 9614594 JYKHIOYUCXZTCY-HSZRJFAPSA-N 430.508 2.827 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc1 9676741 VTCWZZDLVRHXAC-UHFFFAOYSA-N 443.319 2.634 0 40 IFAB Cc1ccc(NC(=S)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 9704184 CEWZZJNFZRDSQC-UHFFFAOYSA-N 425.510 2.799 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 9835246 ZMZPBVITCMGDLY-HXUWFJFHSA-N 431.558 2.634 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc3sc(C)cc3c(=O)n2C)cc1OC 9970695 BBNRPGQSQDQGAF-UHFFFAOYSA-N 433.555 2.772 0 40 IFAB O=C(CN1CCC[C@@H](c2ncncc2-c2ccncc2)C1)NCc1ccc2c(c1)OCO2 12117178 UUXXNOHRJKREHO-LJQANCHMSA-N 431.496 2.763 0 40 IFAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)n2C 12139806 IWRCIUSMYNBAES-QZQOTICOSA-N 431.539 2.774 0 40 IFAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(S[C@H]3CCCCNC3=O)nnc12 12527072 IJWWZHOFLDISSR-IBGZPJMESA-N 449.536 2.862 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2cccc(Br)c2)no1 12561600 HFCBSWXZEVXCLS-UHFFFAOYSA-N 435.303 2.709 0 40 IFAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 12640981 ZBRJFWIPNFGIIV-UHFFFAOYSA-N 442.463 2.988 0 40 IFAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H](C(=O)N1CCCC1)c1ccccc1 12692168 FYFNBSLVIJIBJI-RUZDIDTESA-N 434.584 2.626 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COc1ccccc1C(N)=O 12987025 KWPLMTYOUNPWDA-UHFFFAOYSA-N 443.809 2.934 0 40 IFAB Cc1cccc(C)c1OC[C@@H](O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13022880 SZPXQMDQXBGCKR-FQEVSTJZSA-N 436.549 2.579 0 40 IFAB CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCOCC4)n12)CC[C@@H](C)C3 13499841 YZNCQJFZLRNHNU-GFCCVEGCSA-N 431.587 2.977 0 40 IFAB COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2ccccn2)c(OC)c1 13501470 PVAQPYHOEWPKFK-UHFFFAOYSA-N 442.516 2.765 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3cc4ccccc4nc3N3CCc4ccccc4[C@@H]32)C1=O 13577173 AAKBOATUFHFPIF-HXUWFJFHSA-N 426.476 2.932 0 40 IFAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)c(C)c1 14100915 PZYPZVWSAONHAA-UHFFFAOYSA-N 428.601 2.936 0 40 IFAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C 17732172 IXGPFJZWATWWNX-OAHLLOKOSA-N 425.485 2.908 0 40 IFAB CSCC[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19288659 DNJWADSDBCKRRK-KRWDZBQOSA-N 438.557 2.668 0 40 IFAB COc1ccc(/C=C2/N=C(S)N(c3cn(C)nc3C)C2=O)cc1CN1CCSCC1 19639067 FFRGUSSSCGGTIL-GZTJUZNOSA-N 443.598 2.959 0 40 IFAB CN(C)c1ncccc1CN1CCO[C@H](c2c(C(=O)NCCO)sc3ccccc23)C1 19697554 WZVCYHDYDUGTAX-SFHVURJKSA-N 440.569 2.658 0 40 IFAB CCN1CCC(CC(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)CCN(C(C)=O)C3)CC1 19708681 GMGYGSOOJFZMQM-NRFANRHFSA-N 442.608 2.599 0 40 IFAB CNc1nc(C2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)nc2c1CCN(C)C2 19710946 LLYGVTLSRSESFZ-UHFFFAOYSA-N 448.571 2.653 0 40 IFAB CN(C)C(=O)c1ccc(C2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)nc1N 19766023 BZWGVFOSLLMDHF-LJQANCHMSA-N 428.920 2.729 0 40 IFAB Cn1ncc2c(SCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncnc21 21754873 YBCGFSGFMFSVJK-UHFFFAOYSA-N 436.463 2.823 0 40 IFAB CCOC(=O)CN1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22581206 NHVFSUCUTDFZHA-QHCPKHFHSA-N 429.948 2.726 0 40 IFAB C[C@@H]1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@@H](C)O1 22971069 VWUDJHINTCWYMF-HUUCEWRRSA-N 429.521 2.974 0 40 IFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 25179402 XCMPUSZJOUILBW-LJQANCHMSA-N 438.505 2.780 0 40 IFAB Cc1cc(NC(=O)[C@@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc2)no1 25215153 YUURWELHFSALCE-QFIPXVFZSA-N 434.496 2.925 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1Cn1ccnc1 25614359 SNDDOGKVZKUGSE-NRFANRHFSA-N 426.542 2.551 0 40 IFAB CCn1c(=O)n(CN2CCC[C@H]2c2ccccc2)c2cc(S(=O)(=O)N(C)C)ccc21 26554237 BXCQHMRWULCAAB-IBGZPJMESA-N 428.558 2.868 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)CC1 27628491 MKEHFCUGVBINFB-HNNXBMFYSA-N 439.940 2.803 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 28645717 DJERBQXDUZIDHB-FQEVSTJZSA-N 429.524 2.831 0 40 IFAB CCn1c(COC(=O)c2ccc(C(C)=O)s2)nc2cc(S(=O)(=O)N(C)C)ccc21 32776832 YTHSYAAVQCEVPR-UHFFFAOYSA-N 435.527 2.928 0 40 IFAB O=C(NCCCN1CCCCC1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 32916458 HZIVWSGYTQNZEV-UHFFFAOYSA-N 427.998 2.733 0 40 IFAB O=C(NCc1ccc(Cn2cncn2)cc1)C(=O)Nc1ccc(Br)cc1Cl 32937336 WXGPWPBCABFNCG-UHFFFAOYSA-N 448.708 2.997 0 40 IFAB O=C(CSc1nnc2n(C3CCCCC3)c(=O)c3ccccc3n12)N1CCOCC1 35315644 FPYBVOZDGSMJOU-UHFFFAOYSA-N 427.530 2.500 0 40 IFAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1nnc2n1CCCCC2 40088910 PETSIYIYULXQLD-HXUWFJFHSA-N 436.560 2.828 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)nn2)cc1F 49406286 PAAGRDNICUQBAF-UHFFFAOYSA-N 425.439 2.889 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c1 51319573 HDNHBIKRDLITCA-UHFFFAOYSA-N 435.505 2.598 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cc(C)ccc3C)CC2)c1 57553659 SADUVJRKLXSAKY-SFHVURJKSA-N 443.569 2.840 0 40 IFAB Cc1cccc2cc(CN(Cc3cccnc3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c12 57607223 SHNGLYGGIIPJQD-NRFANRHFSA-N 445.527 2.599 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C[C@@H]3CCCO3)cc2c1 57643399 LLBICNGUITZFRE-FQEVSTJZSA-N 448.527 2.954 0 40 IFAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338876 HAYJUXPSUXBFMO-FQEVSTJZSA-N 428.489 2.889 0 40 IFAB CCCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CCC1)CC3 100243260 QOTKPIGZVMVRQD-IBGZPJMESA-N 425.533 2.973 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 216392367 GXEVRWAZCKGAAH-KRWDZBQOSA-N 432.542 2.738 0 40 IFAB COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1OC 220319058 PPDDLZPDGDECRI-OAHLLOKOSA-N 438.521 2.746 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220449544 LUYCVNQYNIWNSM-LBPRGKRZSA-N 426.441 2.853 0 40 IFAB COc1ccc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(OC)c1OC 222555920 MGNOXUXTFWKZDZ-UHFFFAOYSA-N 434.514 2.572 0 40 IFAB CCOC(=O)C1CCN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 222666125 AKBOOKFXKWLTIP-UHFFFAOYSA-N 444.981 2.996 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224214246 RLZPQJUYYDNKDR-HBMCJLEFSA-N 439.556 2.580 0 40 IFAB Cc1cccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c1C 224600774 PTCNWSWESVCVTP-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1nnc(-c3ccccc3)s1)O2 224687304 DBVOSWVRGLQGPD-INIZCTEOSA-N 430.511 2.679 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 224917061 LBINNECDKBMFHA-UHFFFAOYSA-N 445.541 2.853 0 40 IFAB COc1ccccc1CNC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(C)=O)C3)nn2c1C 257215202 CPCXCENQPUTOFS-HXUWFJFHSA-N 449.555 2.940 0 40 IFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408671374 XYQLUGNTBPRWJI-KMNYTQEUSA-N 430.888 2.653 0 40 IFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 409067752 RBSQTSXDMMLSEQ-OPYOOOJUSA-N 444.259 2.510 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)c1=O 575614780 HJWRJESOSREUSU-UHFFFAOYSA-N 438.450 2.513 0 40 IFAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncnc5c4ncn5C)CC3)n2)s1 1888926476 XECIRLZJFDUUMY-UHFFFAOYSA-N 436.545 2.577 0 40 IFAB Cn1ccc2cc(C(=O)N3CC[C@]4(CCc5nnc(C(=O)NCC6CC6)n5CC4)C3)ccc21 2055793486 JHZOBTNUTCSCLM-VWLOTQADSA-N 446.555 2.778 0 40 IFAB Cc1cc(C)n(-c2nc3sc4c(c3c3nnc(SCC(N)=O)n23)CC(C)(C)OC4)n1 2224109 CRTYYCZXNGHPHU-UHFFFAOYSA-N 443.558 2.570 0 40 IFAB COC[C@H](C)NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3288113 NEFZWPZYUJWWTO-HNNXBMFYSA-N 441.557 2.503 0 40 IFAB O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl 3317581 RCTPBCCWADRBHH-UHFFFAOYSA-N 433.745 2.805 0 40 IFAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)N1CCOC1=O 8709661 QWYPZMDYHBZGFR-UHFFFAOYSA-N 438.465 2.793 0 40 IFAB Cn1c(=O)c2c(nc(N3CCC(Cc4ccccc4)CC3)n2Cc2ccccc2)n(C)c1=O 8775052 JXQWNBPPRDZWPZ-UHFFFAOYSA-N 443.551 2.941 0 40 IFAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 8917276 PQIFEDJTIOHOTE-MGPUTAFESA-N 439.489 2.924 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1COc2ccccc2O1 8938969 QCWYMVVHLLFFAX-KXBFYZLASA-N 438.933 2.599 0 40 IFAB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9284772 KLAJAFAXNPZWRM-HNNXBMFYSA-N 440.529 2.627 0 40 IFAB Cc1ccccc1C(=O)NCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9352284 DUYWZDVKMOZCBA-UHFFFAOYSA-N 430.511 2.621 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 9383888 UPEFZSJLUHQRLG-AWEZNQCLSA-N 448.497 2.630 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)N1CCCCC1 9426086 HNGGYNJEEXXTKI-UHFFFAOYSA-N 443.569 2.832 0 40 IFAB COc1cc(C(=O)OCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)cc(Cl)c1OC 9783020 DBSAWMYMBOIXRE-UHFFFAOYSA-N 435.820 2.599 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccccc3c2=O)cc1 9845851 WUOCDGXBRGBDHD-KRWDZBQOSA-N 425.510 2.782 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 12187416 XTQMZLJQIWKEHV-UHFFFAOYSA-N 427.486 2.606 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 12556990 SCOPLQDCCRJXLG-INIZCTEOSA-N 432.498 2.573 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 12747219 MKEXCQQGZZJVIX-GOSISDBHSA-N 437.949 2.563 0 40 IFAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 12991372 WEYFJSZLKTZKAR-UHFFFAOYSA-N 442.534 2.771 0 40 IFAB CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 13061072 QUEQSSWJELNVOS-UHFFFAOYSA-N 431.558 2.511 0 40 IFAB CCNC(=O)NC(=O)COc1c(Br)cc(Br)c2cccnc12 13114352 WMXUTXLXEGUYAI-UHFFFAOYSA-N 431.084 2.984 0 40 IFAB CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCOCC4)n12)CC[C@H](C)C3 13499840 YZNCQJFZLRNHNU-LBPRGKRZSA-N 431.587 2.977 0 40 IFAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCCOc1ccccc1)N2c1ccc2c(c1)OCO2 13731874 MINDMHTZAPEIRD-DLBZAZTESA-N 432.523 2.569 0 40 IFAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2CC1 14228829 WNWDCQYDHSVKJR-UHFFFAOYSA-N 439.581 2.580 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cn2cncn2)C1 19449319 RXLXLXBZXDYOOB-VWLOTQADSA-N 431.540 2.931 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)C[C@H]2O 19563076 VFFQYEKVNPEETF-UXHICEINSA-N 427.497 2.851 0 40 IFAB CN1CCC(O)(Cn2nc(-c3cccnc3)c3ccc(NC(=O)[C@@H]4CCCO4)cc32)CC1 19588051 JDAKIDFCGRJSJG-NRFANRHFSA-N 435.528 2.673 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)CCCc3ccc(F)cc3)C1)C2=O 19700792 ZXTNDEHSMQAYBR-HXUWFJFHSA-N 444.551 2.546 0 40 IFAB Cn1nc(C(=O)N2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)ccc1=O 19743976 BGMCDBPHTIOMHE-NRFANRHFSA-N 436.556 2.504 0 40 IFAB O=C(Cn1cc(C(=O)N(Cc2ccccn2)C2CC2)ccc1=O)N1CCc2ccccc21 19749369 RGJGQUARFWUGSS-UHFFFAOYSA-N 428.492 2.637 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21 19936870 XCCNPESTNUNBBG-RMKNXTFCSA-N 427.526 2.634 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2F)cc1 20244498 HLMPSGYCAGZPTH-UHFFFAOYSA-N 425.551 2.732 0 40 IFAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccncc2)N1CCN1CCOCC1 20308818 YDWGGDIUMCNYJD-IBGZPJMESA-N 425.872 2.719 0 40 IFAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nn(CC)cc32)cc1 21713668 LMCKXCXCNSPDIH-UHFFFAOYSA-N 449.486 2.768 0 40 IFAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 22766652 PLTWEHNHDHDYIZ-MRXNPFEDSA-N 427.448 2.895 0 40 IFAB Cc1nn2c(nc(N3CCCN(CC(=O)N4CCCC4)CC3)c3ccccc32)c1Cl 24829771 UKXFBAWVXXGHJO-UHFFFAOYSA-N 426.952 2.979 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccs1 24987256 TXEJQBOPSQHBIG-CQSZACIVSA-N 430.935 2.686 0 40 IFAB COC(=O)c1sccc1NC(=O)CN(C)CC(=O)Nc1ccccc1Br 25679085 XFURDBXNRYPCAD-UHFFFAOYSA-N 440.319 2.806 0 40 IFAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(OC)c(O)c(OC)c1)C(C(=O)OC)=C(C)N2 26503514 IEYFVKDQAXSDLG-AWEZNQCLSA-N 433.486 2.609 0 40 IFAB Cc1nc(NC(=O)CCn2nnc3ccccc3c2=O)sc1Cc1ccc2c(c1)OCO2 27448022 ZTEKIJWQRRAQSP-UHFFFAOYSA-N 449.492 2.905 0 40 IFAB COc1ccccc1CN(C)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 30856762 PKFYTUMVZHQEFK-UHFFFAOYSA-N 441.347 2.882 0 40 IFAB CC1(C)C=Cc2c(ccc3c2N=C2C(C)(C)[C@@H]4C[C@]56CCCN5C(=O)[C@@]4(C[C@]23O)NC6=O)O1 31162601 PYHKDROAWLAEDE-VKAHWXPLSA-N 447.535 2.824 0 40 IFAB biogenic,in-vitro Nc1nc(Cn2cnc3ccc(Br)cc3c2=O)nc(Nc2ccc(F)cc2)n1 31692387 DZHKHIANVXQFMZ-UHFFFAOYSA-N 442.252 2.857 0 40 IFAB COc1ccc(-c2nc(C)c(C(=O)NCc3cccc(NS(N)(=O)=O)c3)s2)cc1 32754056 NRQDOWDPUJILNA-UHFFFAOYSA-N 432.527 2.673 0 40 IFAB CCOC(=O)N1CCN(C(=O)CCc2c(C)nc(SCc3ccccc3)[nH]c2=O)CC1 32901645 QBJBJYWMJSHCOD-UHFFFAOYSA-N 444.557 2.604 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Br)cc1OC 33407897 ZLHAGRLTVMOQTD-NSHDSACASA-N 443.319 2.772 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1 36589777 YZMSVZYLPDOGCC-IRLDBZIGSA-N 434.496 2.860 0 40 IFAB biogenic CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1C 37224385 IOSAZKOERPLFJJ-XGHQBKJUSA-N 432.929 2.952 0 40 IFAB COc1cc(-c2n[nH]c(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(OC)c1OC 64875425 CGSFJKUIOTWATP-UHFFFAOYSA-N 433.509 2.550 0 40 IFAB CN(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](O)c1ccccc1 65491281 SRMYXPRXYVKNIU-XOBRGWDASA-N 432.908 2.704 0 40 IFAB CCn1c(=O)n(CCC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c2ccccc21 69951003 PDVCLYFSCJZACM-UHFFFAOYSA-N 436.512 2.853 0 40 IFAB CCCC(=O)N1CCc2nc(C3CCN(Cc4cnc5ccccc5n4)CC3)[nH]c(=O)c2C1 72398756 DJLSYGZBOPKERL-UHFFFAOYSA-N 446.555 2.778 0 40 IFAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)c2ccccc21 79111527 WGEXWPDEFJDDLD-QGZVFWFLSA-N 438.528 2.943 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 102087301 IRUDFGZNFIITJO-FQFSJJOFSA-N 444.487 2.830 0 40 IFAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)cc2)c1C 102328484 SNRYLPODDSFWEC-CLROSIBMSA-N 433.486 2.778 0 40 IFAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222664222 ISCFFSROHNIRMK-RLLQIKCJSA-N 439.556 2.660 0 40 IFAB CCCSc1nnc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)s1 222963170 VGNWOIOZFKFFBE-UHFFFAOYSA-N 430.577 2.762 0 40 IFAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225101623 HKIOPVQATZVZEC-UHFFFAOYSA-N 427.450 2.610 0 40 IFAB COc1c(CN2CCO[C@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c(C)nn1C 257240019 HRSORPOLQZWPLS-QFIPXVFZSA-N 443.523 2.805 0 40 IFAB O=C(CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1)Nc1ccc(Oc2cccnc2)cc1 257261320 LGTIPRRVTADHDJ-FGZHOGPDSA-N 449.463 2.635 0 40 IFAB Cc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)on1 257321596 WCHCIUXHBKJMHY-LPHOPBHVSA-N 447.919 2.795 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1OC 260845690 VWAVLGLBJXYPBL-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB CC(C)(C)c1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3)CC2=O)cc1 408650477 AWYGYHXGFKYDAV-QGZVFWFLSA-N 437.496 2.659 0 40 IFAB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)c1 408655781 MEYAMBSUFVDGOH-IBGZPJMESA-N 445.475 2.823 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408669481 WERFHGLNPCVQLG-HPSDOGTCSA-N 437.279 2.671 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1OC 546639458 IXSSMJTVHNHNFB-JLTOFOAXSA-N 432.483 2.776 0 40 IFAB O=C1NC2(CCN(C(=O)Cc3ccsc3)CC2)[C@H]2CN(Cc3cc(F)ccc3F)C[C@@H]12 585106334 WVRMKSUSHCZJJQ-MOPGFXCFSA-N 445.535 2.808 0 40 IFAB O=C(c1ccccc1)N1CCO[C@@]2(C1)C(=O)N(CC1CCOCC1)C[C@@H]2c1ccccc1 585106668 DZZDPFZGSDMSSS-ZEQKJWHPSA-N 434.536 2.950 0 40 IFAB O=C(NCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)c1cc(F)cc(F)c1 588230155 XPCXQPFYVSCWJT-UHFFFAOYSA-N 427.411 2.546 0 40 IFAB CCCN1CC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](C=CCOc3ccccc3C1)C2 958317912 ZLNCRKFSVGTKFQ-PMACEKPBSA-N 425.573 2.981 0 40 IFAB NC(=O)[C@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c23)CCN1 1165072971 TWIWHCIISSSOFZ-GOSISDBHSA-N 436.585 2.608 0 40 IFAB Cc1nc(S(=O)(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)cn1C 1889061761 BIAJKJWPIGQNSR-UHFFFAOYSA-N 449.540 2.697 0 40 IFAB CCc1c(C)nc2ncnn2c1N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 4093381 SZBGLJIJDYWXAR-UHFFFAOYSA-N 433.560 2.560 0 40 IFAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3nccs3)C(=O)[C@@H]12 6904331 JGAMTRCHRAOMSO-RGORQWHNSA-N 444.123 2.909 0 40 IFAB COc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2cccc(C)c2)cc1OC 9252573 HTYYGUWZFWKJNA-RTWAWAEBSA-N 434.496 2.937 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)CC2)cc1 9308317 LRVIFVMVFGRBHO-MIFVJVCISA-N 434.602 2.986 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9549401 IEFYSOOEGKZLEC-IBGZPJMESA-N 443.525 2.523 0 40 IFAB CCOC(=O)[C@@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1 9578659 SPUOLPJYBXSMBF-MRXNPFEDSA-N 443.529 2.539 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 9668196 DIDJBQWMNNSBSV-DXBWTPJFSA-N 434.602 2.951 0 40 IFAB Cc1sc2nc([C@H](C)OC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)[nH]c(=O)c2c1C 9683921 ZORBUBSEFYACKL-LBPRGKRZSA-N 446.529 2.850 0 40 IFAB O=C(OCCSc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9684757 HRYLAYORGJPNFJ-UHFFFAOYSA-N 425.503 2.796 0 40 IFAB CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 9693180 FCIYPIXHLMWPSM-QGZVFWFLSA-N 429.952 2.900 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 9714367 PAOUCJHSXHQJAC-UHFFFAOYSA-N 434.525 2.870 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3)CC2)s1 9942498 MPFYPLDZUAPMEA-UHFFFAOYSA-N 436.603 2.810 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1-c1ccccc1N 10233677 SUUFILWJQKRESA-UHFFFAOYSA-N 432.459 2.525 0 40 IFAB COc1cccc([C@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)c1 10297110 WZKIVBSPRABQEO-IBGZPJMESA-N 433.428 2.556 0 40 IFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 10833991 VBJAHEBXTBTRCU-CQSZACIVSA-N 441.347 2.978 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)C4CCCCC4)nn23)cc1OC 11693932 BEZCIGNXSRPZKE-UHFFFAOYSA-N 425.489 2.884 0 40 IFAB COc1ncccc1[C@H](Cc1ccsc1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 12228865 RIYSDVXLPSQZGI-KRWDZBQOSA-N 442.541 2.806 0 40 IFAB COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3ccn(C)n3)nc12 12444346 LFZFTZZIUICCMM-UHFFFAOYSA-N 435.937 2.671 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12929982 RQWXBGHHDXEWOU-KBXCAEBGSA-N 448.416 2.995 0 40 IFAB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NC1CCCCC1)c(=O)n2Cc1ccccc1 13102560 NPVXHLQCJSCQFB-UHFFFAOYSA-N 437.544 2.513 0 40 IFAB O=C(C1CC1)N1CC2(c3ccccc3)CN(C(=O)C3CC3)CC(c3ccccc3)(C1)C2=O 13720595 BBUARZJSKPYLOL-UHFFFAOYSA-N 428.532 2.936 0 40 IFAB COc1ccc2c(CC(=O)N(C)Cc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)coc2c1 14233373 AKFNGORFTCOFIX-QGZVFWFLSA-N 445.541 2.815 0 40 IFAB CN1CCc2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3c(=O)n2CC1 19590770 MLJWVUBINZQSQM-UHFFFAOYSA-N 430.430 2.833 0 40 IFAB COc1cccc(N(C)CCC(=O)N2CCO[C@@H](c3ccc(-c4cnc(N)nc4)cn3)C2)c1 19693554 ZEGZFHFHNGJYHM-JOCHJYFZSA-N 448.527 2.556 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)CCc3ccc(Cl)cc3)C1)C2=O 19700786 FFGDSVOKKDLHJC-LJQANCHMSA-N 446.979 2.670 0 40 IFAB O=C(C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc(Br)c1 19991017 JXZZDPSZEIIWSX-OAQYLSRUSA-N 445.313 2.546 0 40 IFAB Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c2cc1C 20079963 SMDGLGYRAGGEPE-JOCHJYFZSA-N 448.502 2.740 0 40 IFAB Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 20635645 YLALCVOXFDNGFV-CYBMUJFWSA-N 445.321 2.876 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 22008282 NISHKOUWVWZSCR-IBGZPJMESA-N 427.526 2.953 0 40 IFAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc(N3CCOCC3)nc2)cc1 22139806 PAXRUXBAKUHNOA-HXUWFJFHSA-N 427.501 2.740 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1OC 22340660 KGXOBOIRIOMCOY-UHFFFAOYSA-N 434.558 2.836 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 22510390 DOLRXAHSZCBJBF-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB CCCC1(CCC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)C1=O 23654204 TWBBKVSRCSATJB-LBPRGKRZSA-N 425.432 2.726 0 40 IFAB O=C(N[C@H](C(=O)O)c1ccccc1)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 25107272 NTLOSRFHIIJIAF-KHNWJHPOSA-N 449.551 2.566 0 40 IFAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 31600545 XXAYFCLRJZYXIS-GOSISDBHSA-N 438.553 2.709 0 40 IFAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 32094960 OPGLOLYUTULGIH-ZHRRBRCNSA-N 437.496 2.590 0 40 IFAB CC[C@H](CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 35334028 PSHSNVYKFLYUOI-RTBURBONSA-N 447.576 2.831 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1Cl 35432712 QDHNZRSGDXNLEE-UHFFFAOYSA-N 435.908 2.887 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 35485545 KNFDXNCZWASWKH-BPZDKFOGSA-N 435.524 2.991 0 40 IFAB CCOc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 38756812 XHUZCAASXZALFG-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38855649 WDFONURMDMOLRD-QRWLVFNGSA-N 445.541 2.689 0 40 IFAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 40157723 OJHOXQXAWKKJGR-LAJNKCICSA-N 427.482 2.647 0 40 IFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 48325975 FFHKRTGRTBNYDN-MRXNPFEDSA-N 432.498 2.604 0 40 IFAB Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1Cl 49409156 IMFAWQCJGUMOJT-UHFFFAOYSA-N 437.949 2.869 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1 57428927 YUTKNRNCUFZBGT-UHFFFAOYSA-N 434.477 2.811 0 40 IFAB CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@H]1CCS(=O)(=O)C1 65515292 QGINXHIIZXALIW-ZDUSSCGKSA-N 428.304 2.880 0 40 IFAB O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1ccccc1F 71328418 NIVYBNXTGZEUMY-UHFFFAOYSA-N 437.387 2.570 0 40 IFAB Cc1cccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2N)c1 71772144 BKXDHQXVHDUINH-UHFFFAOYSA-N 427.505 2.666 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1cnn(C)c1 72370262 BCOLVCGESYIMSO-INIZCTEOSA-N 426.542 2.858 0 40 IFAB CCn1cc(S(=O)(=O)Nc2ccc(I)cc2C)cc1C(=O)O 89305640 MIAVQDYPIKSDIA-UHFFFAOYSA-N 434.255 2.920 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(N3CCCC3=O)c2)C1=O 89914329 FUCUXVZZLZKRNA-VWLOTQADSA-N 446.507 2.708 0 40 IFAB CCCC[C@H](CC)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 96997131 AIIOBDAUANPUFH-HKUYNNGSSA-N 425.595 2.548 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220221824 AFMSWYQCEVZBHR-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 223937249 DSTCTBPIAWBDRG-UHFFFAOYSA-N 433.574 2.792 0 40 IFAB COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 224351915 PILIBVLHHRSBDX-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCCC2)cc1 224853332 MOJNATXAFMHSTI-UHFFFAOYSA-N 445.585 2.618 0 40 IFAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225202215 VSHOHEOMNNCLII-ZDUSSCGKSA-N 448.526 2.545 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 225486108 ZEYJQLLFSYCANR-UHFFFAOYSA-N 434.489 2.960 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1C 225734821 DCLJRUQLPZYFJO-UHFFFAOYSA-N 430.452 2.632 0 40 IFAB Cc1cccc(Nc2cccc([C@H]3CN(C(=O)CCn4c(C)cc(C)nc4=O)CCO3)n2)n1 257278436 OCGYCAOAVUFTBK-HXUWFJFHSA-N 448.527 2.692 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1cc(C)ccc1C)S(C)(=O)=O 260892386 YNTXYFCCZFREGR-GOSISDBHSA-N 434.558 2.970 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4sccc4C)C[C@@H]2C3)cc1 306138605 SBRGGOJPDVVUDO-GJZGRUSLSA-N 437.525 2.853 0 40 IFAB Cc1noc(CCC(=O)N2CCCN(C(=O)CC(C)C)c3ccccc3CNCC2)n1 643557463 NMEZXILGOKOJQR-UHFFFAOYSA-N 427.549 2.712 0 40 IFAB Cc1nc2ccccn2c1CNC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1221500511 BXGZIUBRKOYKCC-IRXDYDNUSA-N 435.528 2.892 0 40 IFAB COc1cc2c(cc1OC)[C@H](NC(=O)CC1(c3oc(C)cc(=O)c3O)CCOCC1)CC2 1547139726 YUMWOOADIUCPTF-QGZVFWFLSA-N 443.496 2.913 0 40 IFAB biogenic COc1cccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2ccnn23)c1 1772596476 KPPBKMLZCARUTK-UHFFFAOYSA-N 431.496 2.855 0 40 IFAB CCn1nc(C)c(S(=O)(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)c1C 1775971702 SVECQSGGTCELGM-UHFFFAOYSA-N 444.536 2.627 0 40 IFAB CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)cc(OC)c3)n2)cc1OCC 932011 YUFAIASANZEQQU-UHFFFAOYSA-N 427.461 2.793 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC 1441126 DTNZXWHEMAZXIL-ONNFQVAWSA-N 426.469 2.593 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1OC 3330440 UCGWYUCXCIKLGA-KAZNXQFFSA-N 442.537 2.862 0 40 IFAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 3464087 RWBTWOIHEYQZDF-NRFANRHFSA-N 429.860 2.907 0 40 IFAB CC(C)C(=O)Nc1cccc(N2CCN(CCCN3C(=O)[C@@H]4CCCCN4C3=O)CC2)c1 8399026 IKCQRAAEOYJOJX-NRFANRHFSA-N 441.576 2.610 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 10220121 QCMITXLTOLAFRG-UHFFFAOYSA-N 447.601 2.654 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C(N)=O)oc4ccccc34)CC2)cc1 10337600 JSAOEXQLOCOYCU-UHFFFAOYSA-N 441.509 2.880 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(c2ccccc2F)CC1 11613617 WEGDISVOMYRFOD-OAHLLOKOSA-N 428.533 2.647 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1cccc2cccnc12 11906458 MTGYVOLKNHZITC-UHFFFAOYSA-N 445.522 2.719 0 40 IFAB COc1ccccc1C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12779871 ARBMTMSVIGWOED-UHFFFAOYSA-N 438.553 2.830 0 40 IFAB COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](C)N2C1=O 12880859 DWAPMTSAHUFLLD-VLIAUNLRSA-N 432.480 2.999 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCSCc2cccs2)cc1 12887600 AJPUGGHMMIZQKM-SFHVURJKSA-N 440.612 2.959 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)nn3)CC2)c1 12919142 SRINLAOEJMBHKR-GOSISDBHSA-N 445.951 2.633 0 40 IFAB CC(C)[C@@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1ccc2c(c1)OCCO2 12984142 XPGOVXXEHWGCFL-JOCHJYFZSA-N 426.517 2.886 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(N3CCCC3)n2C[C@@H]2CCCO2)c1C 12989617 YZPXQZXZNXVZAZ-HNNXBMFYSA-N 447.561 2.764 0 40 IFAB O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 13002423 QFOKUVQFJNIGFD-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 13423846 MVXNAJNGLVQNKU-QUZZAMIASA-N 446.569 2.957 0 40 IFAB biogenic,in-vitro O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)N[C@@H](CO)Cc1ccccc1 13574188 XZIKOCNHAJPGGI-ZJYZBMPFSA-N 428.485 2.972 0 40 IFAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13678009 MAMKFVYUNGXUIX-UHFFFAOYSA-N 430.570 2.986 0 40 IFAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@H]23)[C@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]42)cc1 14945322 ZGOYGPMYIGGZBU-XBTHPWMNSA-N 446.459 2.795 0 40 IFAB COc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 15475312 DNWOGQOCYIUASH-UHFFFAOYSA-N 438.553 2.830 0 40 IFAB CC(=O)Nc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 15858454 PNBJWTADKASCCP-NSHDSACASA-N 435.889 2.863 0 40 IFAB CS(=O)(=O)N1CCC[C@H]1C(=O)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 16847965 CTLIENQCWPAYPJ-INIZCTEOSA-N 434.518 2.788 0 40 IFAB CN1c2ncccc2C(=O)N[C@@H]1c1ccccc1NC(=O)CCn1c(=O)oc2ccccc21 19590959 HJJVFFQIALZUPU-QFIPXVFZSA-N 443.463 2.897 0 40 IFAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760834 UWUUMXADSNLJHU-HXUWFJFHSA-N 439.560 2.744 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)c4snnc4C)C3)nc2C)cc1 19766219 AINYUUPMLSCBKH-AWEZNQCLSA-N 438.513 2.836 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1ccccc1 20283452 VDLDLJCTBSVHMB-QFIPXVFZSA-N 438.503 2.819 0 40 IFAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)s1 20358355 GQNWDVZRPYCEDP-UHFFFAOYSA-N 449.552 2.701 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(C)ccc2C)cc1 22228682 MMXPVYAUJPKKQZ-UHFFFAOYSA-N 431.558 2.631 0 40 IFAB Cn1nc2c(c1NC(=O)C1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)CCC2 23135707 JOPOYLGYMRYOCM-UHFFFAOYSA-N 428.967 2.663 0 40 IFAB Cc1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)n1-c1ccccc1 24013423 WVXNZTLDVYZQEW-UHFFFAOYSA-N 437.569 2.816 0 40 IFAB CS(=O)(=O)c1ccccc1C(=O)OCc1cc2c(cc1Br)OCCO2 24477532 IOOGUJDVTZZEMB-UHFFFAOYSA-N 427.272 2.981 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 27391827 ZWCZQZPHBSOSRW-AWEZNQCLSA-N 437.949 2.717 0 40 IFAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O 30850812 VVGASHUONRSJCY-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB CC1CCN(c2nnc(SCC(=O)NC[C@@H]3COc4ccccc4O3)n2C2CC2)CC1 32876406 IQVYNHKDDMOEQL-QGZVFWFLSA-N 443.573 2.898 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(Cc3ccsc3)CC2)C(C)C)cc1 36686531 IOEUDMRBIXOYOU-FQEVSTJZSA-N 435.615 2.704 0 40 IFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 37458152 WHXLNKMAIAOYFP-DLBZAZTESA-N 437.562 2.914 0 40 IFAB COc1ccc([C@@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 38180686 WOVVFJRUWZRHOV-RBUKOAKNSA-N 435.484 2.785 0 40 IFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)cc3OC)c2C)cc1 71327026 GPBLQXNYOLMSPZ-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(=O)N[C@@H](C)c1nncn1C 72296088 LETOJNBQVLGWMX-LBPRGKRZSA-N 427.486 2.536 0 40 IFAB CN(C)C(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 95348939 HEKSOOURNXAGQZ-UHFFFAOYSA-N 435.512 2.563 0 40 IFAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)C1(c2ccccc2)CCOCC1 96096650 FBHFUBKQECXTHS-UHFFFAOYSA-N 438.553 2.973 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC 96222979 DRONTKOSXXTZII-AWEZNQCLSA-N 432.502 2.616 0 40 IFAB O=C(C1[C@H]2CCCC[C@H]12)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)C1 100239305 SZOITKIURBBZOI-FHWLQOOXSA-N 433.556 2.888 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@H]3C2=O)cc1Cl 101168886 FELOWRWIMVWPIA-RBUKOAKNSA-N 441.875 2.897 0 40 IFAB COc1ccc(CCNC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1OC 220063102 MWIRYQUBXYGUBV-UHFFFAOYSA-N 438.571 2.551 0 40 IFAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc(OC)c1)S(C)(=O)=O 220621448 RIJNJEGYOKQEKL-IBGZPJMESA-N 434.514 2.974 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)Cc1ccccc1F 222677074 ZAEBIEKFSQYBKW-UHFFFAOYSA-N 428.526 2.776 0 40 IFAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c(OC)c1 223168980 LRZBPQAZNBFLDJ-HNNXBMFYSA-N 432.542 2.836 0 40 IFAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O 224652886 ILVKDYRMVFJCFC-QGZVFWFLSA-N 449.548 2.534 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)Cc1ccccc1Cl 225112581 UGLXROBCSOXEHR-UHFFFAOYSA-N 431.341 2.950 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225515512 YIKNJGUSAAOQLR-SFHVURJKSA-N 440.525 2.796 0 40 IFAB Cc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cnn1-c1ccccc1 225758621 RYTOTIQBCNFBCR-UHFFFAOYSA-N 429.480 2.661 0 40 IFAB O=C(CN1CCC2(CC1)CO[C@H](Cc1ccccn1)C2)NCCc1nc2ccccc2[nH]1 257335625 YLCLXZKIDCDVLO-HXUWFJFHSA-N 433.556 2.730 0 40 IFAB COc1cc([C@H](CC(=O)NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)ccc1O 524730842 ZGCYRVIBQHZEGX-SFHVURJKSA-N 439.464 2.955 0 40 IFAB biogenic CCn1c(CCNC(=O)N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)nc2ccccc21 524823531 AAGKIFXLNCPZOW-WOJBJXKFSA-N 426.609 2.799 0 40 IFAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681678716 QZLRUNINPYIFPH-RUZDIDTESA-N 428.492 2.859 0 40 IFAB CN1C(=O)c2cccc3c(S(=O)(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)O)ccc1c23 628543 KCBJTDNGWZJUGQ-GOSISDBHSA-N 449.488 2.885 0 40 IFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccc(OC)c(OC)c1 2114879 ZTMAKMBMCSMKIG-IBGZPJMESA-N 425.485 2.811 0 40 IFAB biogenic NS(=O)(=O)c1cc(C(=O)OCCOc2ccc(Br)cc2)ccc1Cl 2632945 OTMVBOWMXPMHCV-UHFFFAOYSA-N 434.695 2.986 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 3310592 MDSIOMSBPBLLSK-UHFFFAOYSA-N 427.269 2.602 0 40 IFAB O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(F)cc2)CC1 4763720 ARVCNSCIIOAHPO-UHFFFAOYSA-N 444.532 2.800 0 40 IFAB Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(S(=O)(=O)N2CCOCC2)c1 6016945 JQDDKGWPOFPIPW-UHFFFAOYSA-N 446.554 2.623 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)NCCCOC)cc2c1 6196624 UULGNXKXTHLOKU-UHFFFAOYSA-N 446.617 2.736 0 40 IFAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C 6600659 AWQMRTFAYWOECG-UHFFFAOYSA-N 434.547 2.992 0 40 IFAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1cc(OC)cc(OC)c1 6904877 NVWCNMNUCGMYON-IBGZPJMESA-N 427.457 2.516 0 40 IFAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 8848799 ZPCOMJKALGQDOV-UHFFFAOYSA-N 433.559 2.529 0 40 IFAB COc1cc(NC(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)cc(OC)c1OC 9289966 ZNQRYRHTUSOZGS-UHFFFAOYSA-N 445.497 2.523 0 40 IFAB CC(C)C[C@@H](C(=O)OCC(=O)c1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O 9441009 BJPQKHXLTZLRRB-SFHVURJKSA-N 437.448 2.895 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 9493339 UKTANIMWGGFUBS-FQEVSTJZSA-N 446.301 2.541 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 9576801 CYVBRLPVMVPAMD-VWLOTQADSA-N 430.508 2.783 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 9593557 ADNSXKPVHSFQTD-LJQANCHMSA-N 429.480 2.930 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 9835245 ZMZPBVITCMGDLY-FQEVSTJZSA-N 431.558 2.634 0 40 IFAB COc1cc(OC)c(C2=CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)c(OC)c1 11918372 HGWYMSPMAGDVNG-UHFFFAOYSA-N 435.480 2.807 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 12747226 MKEXCQQGZZJVIX-SFHVURJKSA-N 437.949 2.563 0 40 IFAB Cc1cc(=O)n2nc(COC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)sc2n1 13028849 VAOKMCIPUIIFGW-SFHVURJKSA-N 448.504 2.544 0 40 IFAB O=C(COc1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036772 RDCXBTGBPJZBHM-UHFFFAOYSA-N 449.902 2.592 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)Cc2ccccc2F)c1 13058019 MKGPDKYIOBDEAC-UHFFFAOYSA-N 437.537 2.935 0 40 IFAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@]23CCC(=O)N2CCS3)cs1 14250567 JSAGYNXOJUMSMW-HXUWFJFHSA-N 447.538 2.945 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)c1[nH]c(C)c(C(=O)OC)c1C 15400459 CPLZVYAKCITYTQ-UHFFFAOYSA-N 447.557 2.694 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1cnc2ccccc2c1=O 16013022 GQLYERNGDSFRND-UHFFFAOYSA-N 443.301 2.565 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCC(C)CC2)cc1 17245994 BYLLWVSKRUHUJP-UHFFFAOYSA-N 427.501 2.514 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(C(=O)c1cccnc1)C2 19695748 PHMVRJHCNGJVLK-FQEVSTJZSA-N 446.486 2.534 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)ncc1C(N)=O 19755189 JYUNHXGSXNNVDC-SFHVURJKSA-N 428.920 2.949 0 40 IFAB Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763980 LMKNDVNEYGJGLF-UHFFFAOYSA-N 425.508 2.978 0 40 IFAB CCn1c(CN2CCOCC2)nnc1SCC(=O)c1ccc(Br)cc1 19852468 KLCMUBFNCDAKQA-UHFFFAOYSA-N 425.352 2.868 0 40 IFAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1F 20953580 AIIREQXMBCJDRJ-SFHVURJKSA-N 427.567 2.553 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 21323349 DBZUJDHCQLESNS-MRXNPFEDSA-N 426.560 2.726 0 40 IFAB O=C(CSc1nc(O)cc(CC(=O)NCc2cccs2)n1)NCc1ccc(F)cc1 23145292 VONLSYNMTNFVLT-UHFFFAOYSA-N 446.529 2.650 0 40 IFAB Cc1cc(Cl)c(C(C)C)cc1OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 24039194 LJPQSEJASFPGQH-ZDUSSCGKSA-N 426.922 2.843 0 40 IFAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c12 25154222 PVBSLDOOYYFPIU-UHFFFAOYSA-N 440.525 2.971 0 40 IFAB Cc1cc(OCn2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)n2)cc(C)c1Cl 27972871 XBGCAIACJRSLMF-UHFFFAOYSA-N 448.932 2.767 0 40 IFAB C[C@H]1CN(C(=O)C2CCN(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)C[C@@H](C)O1 31127778 CBRMCVVELFZARQ-BBWFWOEESA-N 431.533 2.576 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 32809397 IKGQDVYUSWXRCM-FCHUYYIVSA-N 434.496 2.971 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 32841634 HTDVYJUULUYFHU-ZDUSSCGKSA-N 438.933 2.911 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 32907601 TZSZOEOQZWMBLG-UHFFFAOYSA-N 442.541 2.985 0 40 IFAB Cc1cc(C)cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)OCC(=O)NC3CCCCC3)[C@@H]4C2=O)c1 33940027 XICHVSHOOMAYPQ-ZNNUDVHBSA-N 438.524 2.582 0 40 IFAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl 35311264 KNCAZRDFVNWTLZ-LJAQVGFWSA-N 433.961 2.684 0 40 IFAB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(Cl)cc1 38182835 WDZXXJNDYGUMCJ-HNNXBMFYSA-N 427.848 2.542 0 40 IFAB CCOC(=O)COc1ccc([C@@H](C)NC(=O)NCc2ccc3c(c2)OCO3)cc1OC 40149978 LUPLFKBVDGSXLW-CQSZACIVSA-N 430.457 2.926 0 40 IFAB O=C(Cc1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 57994723 FVNMYRWTLZOBMQ-UHFFFAOYSA-N 445.491 2.831 0 40 IFAB Cc1cccc(C)c1NC(=O)C[C@H](CN1CCN(Cc2c(C)noc2C)CC1)C(=O)O 61721219 BNEMCCHSVZDLBF-LJQANCHMSA-N 428.533 2.755 0 40 IFAB C[C@@]1(NC(=O)Cc2csc(-c3cc(Br)cs3)n2)CCS(=O)(=O)C1 71966474 FXTUNNCDGVXUFH-CQSZACIVSA-N 435.390 2.870 0 40 IFAB O=S(=O)(CCO)c1ccc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 95960496 KJICBLNLWLVEDL-UHFFFAOYSA-N 425.528 2.575 0 40 IFAB O=S(=O)(C(F)F)N1CCC(CNC2CCN(CCc3ccc(F)cc3)CC2)CC1 95983697 RFXLLQKMKAYUFO-UHFFFAOYSA-N 433.540 2.687 0 40 IFAB CCN1C(=O)[C@@H](NC(=O)C(=O)N2CCc3ccccc3C2)c2cc(Br)ccc21 101440769 NLKMVFMSHXNEOC-SFHVURJKSA-N 442.313 2.558 0 40 IFAB C[C@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)C1 139083873 WSLDIETXOUPJIC-CMPLNLGQSA-N 433.871 2.863 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OCC(=O)OC 205778183 JCALZQKBOCCBHB-CXUHLZMHSA-N 437.470 2.625 0 40 IFAB Cc1ccc2c(c1)[C@@H](NC(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2 219670564 AYYMDTFVUULMOR-KRWDZBQOSA-N 428.510 2.948 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222938790 UGRQNRCTHVOSOV-HXUWFJFHSA-N 445.585 2.623 0 40 IFAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222984103 CIZYMTOTQVNSCH-SESVDKBCSA-N 439.556 2.661 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)s2)cc1 223661492 RMHNCFONPCZJHE-INIZCTEOSA-N 430.511 2.679 0 40 IFAB Cc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 224309087 ZWLNXOBFSQVAGD-UHFFFAOYSA-N 432.542 2.662 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)ccc1OC 224617080 CXPZTGJTJUTVAM-UHFFFAOYSA-N 431.558 2.519 0 40 IFAB Cc1noc(C)c1/C=C1/SCCN1C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 225246979 WJEZKWQMWSSKGI-VCHYOVAHSA-N 425.507 2.625 0 40 IFAB CSCC[C@H](NC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027827 FCEJUIWAMCQBAA-RBUKOAKNSA-N 429.494 2.842 0 40 IFAB COc1ccccc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccc(C)cc1 408611267 STJSDOGQYRBBPP-UHFFFAOYSA-N 442.541 2.602 0 40 IFAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409239679 IINOIORXYKSWAG-UHFFFAOYSA-N 440.521 2.869 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)cc3)n2C)c1 409351182 ZXJGCRXDPPZZQZ-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(-c2nn[nH]n2)cc1 523009469 LLLFVBFLNRBFTM-UHFFFAOYSA-N 440.529 2.613 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575414933 RFIVEQUNGZJGKT-ZWKOTPCHSA-N 440.537 2.913 0 40 IFAB CN(C)CCOc1cccc(CN2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)c1 585282509 LSJYPJXNDJVQSB-HSZRJFAPSA-N 436.499 2.548 0 40 IFAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(C(F)(F)F)c2)C1 585290877 GRAUMTUPIOJQNH-QUCCMNQESA-N 442.865 2.625 0 40 IFAB Cc1ncsc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643556342 LAZFUBQDBOTRNU-QFIPXVFZSA-N 429.542 2.584 0 40 IFAB CCOC(=O)c1c(N)n(C[C@H](C)NC(=O)COc2ccccc2)c2nc3ccccc3nc12 3186840 SODFYQHVQOIELR-HNNXBMFYSA-N 447.495 2.927 0 40 IFAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 3363867 OJNCVSIINDPEOE-MRXNPFEDSA-N 434.587 2.710 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1)c1ccccc1 5494527 PXHQLLQXTNTFGC-KRWDZBQOSA-N 425.510 2.816 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1)c1ccc(C)cc12 8843702 VARTTYDZMCEQKN-QFIPXVFZSA-N 438.509 2.576 0 40 IFAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC(C(=O)O)CC4)c12)OC(C)(C)CC3 8877514 OGAYRHSSFLMCEZ-UHFFFAOYSA-N 429.469 2.907 0 40 IFAB biogenic CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 8986934 UIEOQTYHVYEYOR-UHFFFAOYSA-N 438.553 2.972 0 40 IFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2ccccc2F)c(=O)[nH]c1=O 9124998 BOMSLUHOGNFAAG-UHFFFAOYSA-N 440.475 2.670 0 40 IFAB O=C(Nc1nc2c(s1)CCCC2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 9245583 FIDBDGUXBHPNJX-UHFFFAOYSA-N 430.555 2.822 0 40 IFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21 9676692 IOTCBBJNIVLEOR-UHFFFAOYSA-N 429.517 2.636 0 40 IFAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1)C1CC1 9831849 FSQWIJCNSIGGES-LLVKDONJSA-N 434.543 2.969 0 40 IFAB CC[C@H](C)n1nccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 9885574 WDFHONIEISKHNE-BVBGJJFLSA-N 448.545 2.536 0 40 IFAB NC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)cc1 10334245 RZXVAFSFBIBKLE-JOCHJYFZSA-N 430.508 2.831 0 40 IFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccn(C)n2)C1 12156801 FLDADVORSNDCBC-JPYJTQIMSA-N 442.491 2.928 0 40 IFAB Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(O)(Cn4ccc5ccncc54)CC3)c2n1 12223003 FQLSEZIGMMLNNJ-UHFFFAOYSA-N 440.454 2.992 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n2C)n1 12231391 BATKNWQMZLEVDU-UHFFFAOYSA-N 433.299 2.591 0 40 IFAB COc1cc(CCNC(C)=O)c(S(=O)(=O)NCc2ccc(Cl)cc2)cc1OC 12364300 ZZYRCEMCAMRPSD-UHFFFAOYSA-N 426.922 2.514 0 40 IFAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O 12544928 PMYXFHSCTGCLGO-MRXNPFEDSA-N 442.522 2.996 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)c1C 12786768 ASRSETUTLNVMTL-UHFFFAOYSA-N 447.601 2.503 0 40 IFAB NC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12792729 XHQOKUXHMMFKII-UHFFFAOYSA-N 429.542 2.922 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c1 12802143 NMGPJBIDISNBJM-QFIPXVFZSA-N 445.560 2.769 0 40 IFAB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S[C@H](C)c3nc(C)no3)nc2c1 12821171 STKRGEKADTWOBE-BXUZGUMPSA-N 430.486 2.907 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c3ccccc3n2)o1 14083492 ZFVFAHUSKFPYHD-QGZVFWFLSA-N 439.537 2.748 0 40 IFAB Cc1nc2ccccn2c1CN1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 19362523 YXOAOMNSJQMIOX-OAQYLSRUSA-N 428.964 2.991 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19527739 SBBGZXXFAIXZIY-KRWDZBQOSA-N 436.537 2.662 0 40 IFAB CN(C)c1cc(C2CCN(C(=O)c3ccnn3C(F)F)CC2)nc(-c2cnccn2)n1 19584749 WLWTUAQMHUJTEP-UHFFFAOYSA-N 428.447 2.611 0 40 IFAB Cn1c(=O)c2ccc([C@H]3CCCN(Cc4cccnc4)C3)nc2n(Cc2ccccc2)c1=O 19743052 BBOWHXLATPRQSY-NRFANRHFSA-N 441.535 2.918 0 40 IFAB C[C@H]1CCCN(CC(=O)N2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)C1 19756779 VQISVXHZSPEVRY-INIZCTEOSA-N 442.589 2.698 0 40 IFAB CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nn(CC)cc32)c1 21713740 FBPBWVIBORKALR-UHFFFAOYSA-N 431.496 2.629 0 40 IFAB CC(C)(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 22021139 VTEVNHUIKVBJJX-GYCJOSAFSA-N 440.496 2.920 0 40 IFAB CNC(=O)NC(=O)[C@@H](OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 23485296 VSCKWKYVJALGIT-ACJLOTCBSA-N 447.488 2.626 0 40 IFAB COc1ccc2cc(CN(C)C(=O)COC(=O)c3c(C)oc4ncn(C)c(=O)c34)ccc2c1 24175870 QAULFVGSTJGMIM-UHFFFAOYSA-N 449.463 2.812 0 40 IFAB COc1ccc2cc(CNC(=O)NCCNS(=O)(=O)c3ccc(C)cc3)ccc2c1 29724924 OGAZKBBPUBNEIZ-UHFFFAOYSA-N 427.526 2.935 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)OCCO2 31288970 OGLLCPCMBQTPBU-AEFFLSMTSA-N 430.526 2.736 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1 33326631 MEMJIKYNNGMSSW-HNNXBMFYSA-N 444.531 2.986 0 40 IFAB CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 33483396 QKLMMUXJPGOHFP-UHFFFAOYSA-N 434.558 2.817 0 40 IFAB O=C(CN1CCN(C(=O)c2ccccc2SCc2ccsc2)CC1)N1CCOCC1 35334223 YRUIQJDJMZIPDR-UHFFFAOYSA-N 445.610 2.657 0 40 IFAB CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 36067075 GCDKIPRJYISBES-HXUWFJFHSA-N 433.936 2.975 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc1Cl 40477193 GWUQAAHXDIBGIQ-UHFFFAOYSA-N 438.875 2.645 0 40 IFAB COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(F)ccc2N3C)cc(OC)c1OC 49410042 CXUIZCIQLRPYJG-UHFFFAOYSA-N 443.475 2.664 0 40 IFAB biogenic CC(=O)Nc1ccc2c(COC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc(=O)oc2c1 49574079 OTPIWJVKZWMJDV-UHFFFAOYSA-N 433.420 2.978 0 40 IFAB Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)s1 58308106 DRGVAVDQJDJKQB-ZIAGYGMSSA-N 438.575 2.913 0 40 IFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 58379657 AENUCVWCEXPYEQ-WBVHZDCISA-N 425.510 2.882 0 40 IFAB CCc1nn(CC(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c(=O)c2ccccc12 72343196 GREMJSWFPXEHFS-KRWDZBQOSA-N 444.495 2.810 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2cnc(C)cn2)CCO1 72389143 FMVOYXBTVUEAMV-SANMLTNESA-N 444.535 2.960 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 223472262 RWSASQITQOECGM-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)ccc21 225063413 NNJQHSUVSVADAO-UHFFFAOYSA-N 437.518 2.924 0 40 IFAB O=C1N[C@H](CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCC3)C2)c2ccccc21 257208183 BLBRTRCBEPDUTN-OXJNMPFZSA-N 435.528 2.617 0 40 IFAB COc1cc(CN2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)ccc1OCC(N)=O 257322471 WGCKYJZIHDURAP-OAQYLSRUSA-N 449.511 2.666 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)sc(=O)n4C)C2)cc1 260897491 MHXHVJCEXONGJB-HNNXBMFYSA-N 445.566 2.948 0 40 IFAB COCCN1CC[C@]2(CN(Cc3ccccc3OC)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306134213 NFUIVPCLJXCOLW-HYBUGGRVSA-N 426.561 2.937 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408592091 NTVALANLYDRGMH-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408655050 HGUQPSVRNOUENC-IQUZMVKNSA-N 442.512 2.623 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1 408702210 LMVIZIJRONJOSC-UHFFFAOYSA-N 447.582 2.571 0 40 IFAB C[C@@H](C(=O)NCCSC1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704458 NUKILNBSCHDHQE-HNNXBMFYSA-N 442.603 2.794 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@H]3C2=O)cc1 503954465 DOWVCTKRIAKAPM-TXNPELCJSA-N 431.492 2.743 0 40 IFAB biogenic Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)n1 585292931 UJQAPNVGQCYLPL-SGQUHAKNSA-N 432.532 3.354 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 814581 NSPZUAJXUJCQBA-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12 1376766 XSTVHVWRFNNEQM-IBGZPJMESA-N 437.525 2.956 0 40 IFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 2651658 VEYANGCLRUWTEQ-NSHDSACASA-N 427.288 2.938 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)no1 3431760 YCXSPBXETGYFRG-UHFFFAOYSA-N 429.454 2.604 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8675409 SRQGQBHTNYAIRK-JOCHJYFZSA-N 438.505 2.513 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccc(C)cc1)c1ccccc12 8843688 PROXFKYIKWHHPS-QFIPXVFZSA-N 438.509 2.576 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)c1 9095590 IWSBBZGIVWSLDJ-LBPRGKRZSA-N 445.522 2.700 0 40 IFAB Cc1cc(Br)c(NC(=O)CN2CCCC[C@@H]2C(N)=O)c(Br)c1 9365481 KZAISCLSWMZUKU-GFCCVEGCSA-N 433.144 2.798 0 40 IFAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CS(=O)(=O)C3)cc1C 9391562 GHABBWXKEZDIOA-UHFFFAOYSA-N 425.466 2.899 0 40 IFAB COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 9403018 JHXJPWWASQHYJQ-UHFFFAOYSA-N 428.869 2.761 0 40 IFAB Cc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 9569814 ZGRADEHEZDCSOE-UHFFFAOYSA-N 435.977 2.839 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9727715 KODBCISABFYKFM-LJQANCHMSA-N 443.525 2.523 0 40 IFAB CCCn1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21 9885368 KCUSCPZRCWGMSQ-UHFFFAOYSA-N 446.504 2.859 0 40 IFAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)NCc1ccc(F)cc1 10255482 ZCMQQJSARVRJPY-QGZVFWFLSA-N 431.533 2.849 0 40 IFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(I)c1 10720919 FEWSTOAPDZEMRU-UHFFFAOYSA-N 425.251 2.861 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719732 RKAPSZHRCQMJNR-OAHLLOKOSA-N 437.587 2.835 0 40 IFAB Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)N[C@H](C)c3cccs3)CC1)O2 12085687 VJYSNHLTFMZQPF-QRQCRPRQSA-N 427.526 2.765 0 40 IFAB O=S1(=O)N[C@@H](C2CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)Nc2ccccc21 12089491 ZAIOXHMKVQBRKN-QFIPXVFZSA-N 441.532 2.954 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSCc1ccc(C(=O)O)cc1 12779054 LVXDEVSOTZMKAA-UHFFFAOYSA-N 448.566 2.848 0 40 IFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 12806593 SPGVCHHGPILWPH-FQEVSTJZSA-N 439.537 2.685 0 40 IFAB CCNC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 12931828 OZJFFJLUZISQAE-UHFFFAOYSA-N 430.313 2.660 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NCC1CCCCC1 13056429 YBPKKGAHLRNCHS-UHFFFAOYSA-N 447.523 2.708 0 40 IFAB Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=S 13070766 TYYSEDFRAZMAJS-UHFFFAOYSA-N 447.561 2.815 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13097279 IGHKKTQMLJVTOO-RBUKOAKNSA-N 427.570 2.500 0 40 IFAB CN(C)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 13097838 RFHHQVVDULZVDM-UHFFFAOYSA-N 445.324 2.717 0 40 IFAB O=C1[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1CCc1ccccc1 13573617 CJPJSMBXTYOCDO-FDGPYGQJSA-N 435.911 2.809 0 40 IFAB O=S1(=O)C[C@@H]2N=C(SCCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@H]2C1 13720760 QFZOQAOCVZSNJP-ROUUACIJSA-N 446.550 2.959 0 40 IFAB CCCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O 13750279 AOJCPJIMKDCIHR-ZHZULCJRSA-N 437.496 2.968 0 40 IFAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2C1=O 15307925 MHULKSJAYPEGFV-UHFFFAOYSA-N 427.464 2.548 0 40 IFAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 15488697 IIEATAGHCOOPED-UHFFFAOYSA-N 444.887 2.991 0 40 IFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 19357305 VAWPTLSCYRZNAB-QWHCGFSZSA-N 449.460 2.856 0 40 IFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccccc3c2C1 19372257 AADDNCUWOUKCJB-UHFFFAOYSA-N 432.524 2.599 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)N4CCCC4)C3)cc2N1 19451397 HITRSAAUIWNPSX-IJEWVQPXSA-N 435.516 2.957 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3)cc2n1 19452388 MRLRUCHAVHCHMA-OLZOCXBDSA-N 444.479 2.622 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19553415 WILLQERCGGMVNI-FCHUYYIVSA-N 426.565 2.510 0 40 IFAB Cc1cccc(CC(=O)N2CCC[C@@H](N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)C2)c1 19699709 MHUXBCJYOSTCCO-OAQYLSRUSA-N 440.588 2.571 0 40 IFAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2ccncc2)CC1 21182043 IQBOLNRSFGCSSB-UHFFFAOYSA-N 440.363 2.749 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)CC1 23125620 ZMBJZVKKZGCPBW-UHFFFAOYSA-N 445.523 2.934 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 23673343 SNOSYCOXVHUHIQ-UHFFFAOYSA-N 441.315 2.645 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1)c1ccccc1 32017463 WSPWAHLRLISHJE-HSZRJFAPSA-N 444.535 2.576 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 32908033 AKCKCIMSZIJFHT-KRWDZBQOSA-N 425.457 2.729 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 32966846 TWMOTJIYINXRBM-KRWDZBQOSA-N 432.432 2.988 0 40 IFAB CCN(CC)CCOc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 40107640 IVOAYJFCCJUYAW-UHFFFAOYSA-N 445.585 2.659 0 40 IFAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43941928 AOFCQLMHKOXSBF-UHFFFAOYSA-N 425.485 2.969 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318365 OHCZCQOEWDJONA-HSZRJFAPSA-N 434.540 2.907 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)Nc1ccc(Oc3cccc(C(N)=O)c3)nc1)C2=O 58172177 SUNMUCQDYPCDGL-UHFFFAOYSA-N 444.447 2.906 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@@H]2C)c1 60016399 JJZWQJXLFLTGNE-CYFREDJKSA-N 443.613 2.951 0 40 IFAB C[C@H](Cn1cncn1)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 84647119 KHJUSQXTMMXQIE-CQSZACIVSA-N 446.577 2.537 0 40 IFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1OC 100891476 WUHNNCKVFZKEDR-WBVHZDCISA-N 431.242 2.759 0 40 IFAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)c1 220152138 QBHBFHAZXCFSAB-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB O=C(NCCCN1CCOCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223081593 OOZCHNHJCYAEQH-UHFFFAOYSA-N 425.504 2.871 0 40 IFAB COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224811785 SJJFRLYIKWRXPL-OAHLLOKOSA-N 430.526 2.740 0 40 IFAB Cc1cc(C)n(CCNC(=O)[C@@]2(C)CCCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)n1 257262324 LKXWIBLYJXETMV-VWLOTQADSA-N 448.571 2.803 0 40 IFAB CCCn1c(=O)oc2cc(NC(=O)CN3CCN(C(C)=O)[C@@H](c4ccccc4)C3)ccc21 257323356 WJUOIKYPNALSKF-OAQYLSRUSA-N 436.512 2.848 0 40 IFAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCOC)cc2Cl)cc1 408635663 GWRFOWDWQBINIX-UHFFFAOYSA-N 442.921 2.681 0 40 IFAB Cc1ccccc1CSCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408706454 VYXBIWBKJKSMEE-UHFFFAOYSA-N 436.599 2.815 0 40 IFAB O=C(NCc1nccnc1-c1ccsc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 575618250 FZQVIAPVFNBNJK-UHFFFAOYSA-N 428.539 2.920 0 40 IFAB CCc1cc(C(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)cs1 643564106 JFJGTADILNYOLC-IRXDYDNUSA-N 449.617 2.743 0 40 IFAB O=C(Nc1ccc2scnc2c1)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 679802109 LESCQAVTMGEJOW-INIZCTEOSA-N 444.538 2.668 0 40 IFAB O=C(c1ccc(Cn2cc(Br)cn2)o1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 653383 ZKCBGVCZJLZTNQ-CQSZACIVSA-N 439.163 2.708 0 40 IFAB NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)cc1 1105857 PCDDXUAKDPYZOU-SFHVURJKSA-N 433.873 2.631 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)Cc1ccccc1 2657608 MZUXJAMFJRNKJT-FQEVSTJZSA-N 430.888 2.523 0 40 IFAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 3303023 UEUVLHFBAASLRP-KRWDZBQOSA-N 447.900 2.820 0 40 IFAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(-n2nc(SC)sc2=S)cc1 3434242 BLEFSYKFTMEOBE-SECBINFHSA-N 426.545 2.776 0 40 IFAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCN(c2ccccc2)CC1 6529665 HSEDDFBNRBEBND-UHFFFAOYSA-N 431.525 2.627 0 40 IFAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CCCOC 9481331 VFQXWPBJFWZCIP-UHFFFAOYSA-N 425.942 2.963 0 40 IFAB O=C(Oc1coc(CSc2ncccn2)cc1=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9829329 BFLSGGQDOHYACM-ZDUSSCGKSA-N 441.440 2.820 0 40 IFAB COc1ccc(-n2c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc2-c2ccncc2)cc1 9925102 WYYIBOJKSWASEU-INIZCTEOSA-N 426.502 2.650 0 40 IFAB COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 10337677 LVSBRFPOPSOGPH-UHFFFAOYSA-N 438.527 2.583 0 40 IFAB COc1nc(C)c(CC(=O)N2CCC[C@H]([C@H]3CC(=O)c4cc(F)ccc4O3)C2)c(OC)n1 12736127 NJICHUJSFVFPCX-VBKZILBWSA-N 443.475 2.756 0 40 IFAB CN(CCOc1ccc(Cl)cc1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 12806823 VPYBPBYFEIPMPA-QFIPXVFZSA-N 427.888 2.571 0 40 IFAB O=C(O)Cn1c(=O)c2c3c(sc2n(CC(=O)c2ccc(Cl)cc2)c1=O)CCCC3 13609625 NIBZGMMAYCYGRI-UHFFFAOYSA-N 432.885 2.724 0 40 IFAB Cc1cc(C(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(C)n1C(C)C 15513282 GGWZDAOAFSBTJB-UHFFFAOYSA-N 426.560 2.879 0 40 IFAB Cn1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 17149111 NDLIYAAPZHHAQA-UHFFFAOYSA-N 445.498 2.773 0 40 IFAB COc1cccc(CN2CCCc3c(C)nc([C@H]4CCCN(S(C)(=O)=O)C4)nc32)c1 19706712 SSQUXKAWKUEOFC-SFHVURJKSA-N 430.574 2.885 0 40 IFAB CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CCOc1cccc(F)c1)CC2 19711391 XYNQARVWBJKHNX-UHFFFAOYSA-N 427.524 2.820 0 40 IFAB COc1ccccc1S(=O)(=O)N1CC[C@](Cc2cc(C3CCCCC3)no2)(C(N)=O)C1 19739139 KDGPNRHJSFTPMX-JOCHJYFZSA-N 447.557 2.840 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C(=O)c3nccn3C)nc2C)c1 19764614 MEKQAFUZVIZZQY-HXUWFJFHSA-N 448.527 2.825 0 40 IFAB Nc1c(-c2nnc(SCC(=O)O)n2-c2ccccc2)nnn1Cc1ccc(Cl)cc1 19897428 HWNAJBWRTXGKAJ-UHFFFAOYSA-N 441.904 2.986 0 40 IFAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1OC 20024777 MLPDZHCTDRYDOZ-HNNXBMFYSA-N 448.541 2.988 0 40 IFAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 21011181 VWVBONCWBOIGGF-UHFFFAOYSA-N 440.457 2.542 0 40 IFAB COC(=O)c1cc(NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc(C(=O)OC)c1 21889312 YRWHELLTOLKZSA-SNAWJCMRSA-N 427.409 2.692 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 28057201 AHFXUYBPWYDHCF-UHFFFAOYSA-N 443.856 2.992 0 40 IFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 32819435 JDGXZKLSGHMTSY-RBUKOAKNSA-N 430.595 2.970 0 40 IFAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 32915279 KSKZXDICBFKIQF-UHFFFAOYSA-N 425.510 2.701 0 40 IFAB Cc1cccc(-c2nnc(S)n2CC(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 32916662 UROCZYPDMZDEEY-UHFFFAOYSA-N 444.582 2.664 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 33156542 ZXKQZSCDCMYFFF-KRWDZBQOSA-N 429.542 2.866 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)c(Br)c3)C2=O)o1 33676296 FLMZFFJAFGCMLU-JYRVWZFOSA-N 435.230 2.930 0 40 IFAB C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 40094773 NLRPAGAFRLNOFH-INIZCTEOSA-N 427.464 2.921 0 40 IFAB C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 40117688 GTWMSSJOHGPUIS-SUMWQHHRSA-N 427.432 2.679 0 40 IFAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)C1 40388917 WSLDIETXOUPJIC-PWSUYJOCSA-N 433.871 2.863 0 40 IFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 58379652 AENUCVWCEXPYEQ-DOTOQJQBSA-N 425.510 2.882 0 40 IFAB Cn1ccnc1COc1ccc(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)cc1 65604810 PYBYPTCGFQKWOP-HXUWFJFHSA-N 447.539 2.949 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(N(C)C)CC1 72027693 ZUYJGIHWJZGSGZ-QGZVFWFLSA-N 442.423 2.853 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(c3nccc(C)n3)C2)on1 72338463 COAFXGCPLOCHBN-GOSISDBHSA-N 434.548 2.674 0 40 IFAB COc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 78875075 OIELMUHWJOVRFQ-MTNOOBJLSA-N 438.590 2.643 0 40 IFAB CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4cccc(F)c4)CC3)C2=O)cc1 100191381 ZIQDYONDGXTCIQ-OAQYLSRUSA-N 439.487 2.751 0 40 IFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCC(c3nnc4n3CCCCC4)CC1)C(=O)C2 100739244 UZPCJTQVFPYZHW-VGSWGCGISA-N 434.606 2.909 0 40 IFAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)C[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 102760172 BFOBFKLWCPQKMC-LNPFQXMTSA-N 427.501 2.857 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 103319560 KCKFTXMFDLVSBW-CBGDNZLLSA-N 444.557 2.605 0 40 IFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1ccc(CN2CCc3ccccc32)cc1 109029355 WYSKDSWBLMZQJN-FGZHOGPDSA-N 429.520 2.817 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1=O 195530728 RVKCMPYSZJYMFU-UIWVKPTASA-N 428.529 2.921 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1 220283509 RDOLQESIHGLLRK-IRXDYDNUSA-N 434.558 2.996 0 40 IFAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222569393 JLDJBSDNBDBEKF-UHFFFAOYSA-N 445.541 2.554 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 223198937 AFVYIUPKPYPNGS-UHFFFAOYSA-N 446.960 2.912 0 40 IFAB CN(c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1)S(C)(=O)=O 223683364 VSXCIRBSGVCGLN-UHFFFAOYSA-N 445.541 2.726 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccccc2Br)cc1 224201730 MXEAWOHIAOHWBT-UHFFFAOYSA-N 427.320 2.508 0 40 IFAB CCN1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccc(C)cc3)c2)CC1 224784600 VERAJGFAZMWCER-UHFFFAOYSA-N 445.585 2.602 0 40 IFAB COc1ccc(N2C[C@@H]3C[C@@]3(C(=O)Nc3ccc(OC4CSC4)cc3)S2(=O)=O)cc1 225938667 APOWCOANOBJNHV-LHSJRXKWSA-N 446.550 2.737 0 40 IFAB Cc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225994131 KGYYMHYEXXXRJE-UHFFFAOYSA-N 427.574 2.656 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831663 TYXVYQVPLPRVHC-QRWLVFNGSA-N 448.491 2.706 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 408661508 WDOCOTODRLSNPW-HNNXBMFYSA-N 443.887 2.578 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 409390133 JOJOPOBLGVAVIJ-LJQANCHMSA-N 434.514 2.560 0 40 IFAB CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)COc3ccc(C(F)(F)F)cc3)C2)ccn1 521669937 UFCCRRJYLTVAKE-QGZVFWFLSA-N 437.418 2.909 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCCCc1nnc2ccccn12 524733969 JOKQDAOFKWKLEE-JBUDQFAYSA-N 433.512 2.668 0 40 IFAB CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)CC1 568337418 JWYVVZOQJFWRJZ-INIZCTEOSA-N 427.998 2.733 0 40 IFAB O=S(=O)(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(OC(F)(F)F)cc1 575616985 PDXBBYZXRZBXCU-SECBINFHSA-N 444.357 2.780 0 40 IFAB CS(=O)(=O)N1CCC(N2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 585281170 FVEZYJXAMCMHHY-UHFFFAOYSA-N 437.389 2.623 0 40 IFAB Cc1c(C(=O)Nc2ccc(-n3cncn3)c(F)c2)nnn1-c1cccc2c1CCN(C)C2 596831597 VTMFPNZJTRGWIE-UHFFFAOYSA-N 432.463 2.536 0 40 IFAB COC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1C 1597041389 WWDRAUAMUWFEDP-UHFFFAOYSA-N 438.406 2.716 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 2385457 DAVPWBZXUHKWRW-UHFFFAOYSA-N 434.481 2.811 0 40 IFAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 2661199 XOPQAODAANUBHA-UHFFFAOYSA-N 436.965 2.594 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)ccc1F 3219366 MNYSXKXWGFLGNH-UHFFFAOYSA-N 444.431 2.930 0 40 IFAB Cn1cccc1C(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3259151 GGRFRAIBDZKHHM-UHFFFAOYSA-N 436.468 2.912 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 3303041 JOMUCBRZKFMIRL-KRWDZBQOSA-N 426.860 2.932 0 40 IFAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-n2nc(SC)sc2=S)cc1 3434243 BLEFSYKFTMEOBE-VIFPVBQESA-N 426.545 2.776 0 40 IFAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 9192995 BTWKUGRHANVAOO-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)O[C@@H]1CCS(=O)(=O)C1 9223354 XKCAECQIHKHXDS-QGZVFWFLSA-N 447.513 2.896 0 40 IFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nn2c(=O)cc(C)nc2s1 9349291 FTBRYDKRIABHSF-UHFFFAOYSA-N 425.436 2.727 0 40 IFAB COC(=O)c1cc(NC(=O)c2cccs2)c(=O)n2c(=O)c3c(C)c(C)sc3[nH]c12 9509198 KDQNBWACLYNSHJ-UHFFFAOYSA-N 429.479 2.920 0 40 IFAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9514263 OVYNTCKBYXRCSR-XMMPIXPASA-N 439.487 2.966 0 40 IFAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)[C@H]1COc2ccccc2O1 9639205 TWWFDBKIZNJPJN-CQSZACIVSA-N 435.454 2.567 0 40 IFAB COc1cccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)c1 9829474 ZSENRDIHNKEXNV-UHFFFAOYSA-N 447.470 2.951 0 40 IFAB O=C(Cc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849884 JNUXQCQNZFPKOV-UHFFFAOYSA-N 433.903 2.755 0 40 IFAB COC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)sc2c1CCCC2 9891781 KZZBFCSWZVWBAQ-UHFFFAOYSA-N 440.518 2.957 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1C 10076569 PZKALIHGZJWXDB-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nc2ccccc2c(=O)[nH]1 10209865 ZVODDDFZBICPCS-ZDUSSCGKSA-N 447.538 2.690 0 40 IFAB Cc1csc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)n1 10554089 RDPSENKFNKHGON-UHFFFAOYSA-N 429.483 2.674 0 40 IFAB CS(=O)(=O)Nc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 11527393 TZYIYCGMPTVCLE-UHFFFAOYSA-N 444.509 2.564 0 40 IFAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 11906659 VTHWNZZUURKJLA-UHFFFAOYSA-N 438.527 2.629 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)Nc3ncc(C)s3)CC1)O2 12086665 CYRGCYPHMQCHNZ-IVZQSRNASA-N 442.541 2.661 0 40 IFAB O=C(CC1CCC1)Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 12375895 AWHPSZDFYISJJD-UHFFFAOYSA-N 441.553 2.962 0 40 IFAB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12630846 ADAQHFLLUAFEGA-BXUZGUMPSA-N 442.588 2.864 0 40 IFAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)N1CCCC1 12683976 NLVUJZPDVBGXQN-KRWDZBQOSA-N 448.585 2.520 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 12741239 OCSXYIGPZHQTBF-ABAIWWIYSA-N 433.313 2.694 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(Br)c1 12854295 KNLLFTYQXSUYON-QGZVFWFLSA-N 439.375 2.937 0 40 IFAB COC(=O)C1=C(CNCc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 13566248 DFJFGBMRFCNVAM-HXUWFJFHSA-N 445.903 2.928 0 40 IFAB CCOC(=O)[C@@](NC(=O)Nc1ccc(C(=O)OC)cc1)(OCC(F)(F)F)C(F)(F)F 13774132 AUEUAKDECYPVBD-OAHLLOKOSA-N 446.300 2.995 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cc(Br)cs2)NC(=O)N1C1CC1 14123794 JVEUBBBVHHAICY-OAHLLOKOSA-N 426.336 2.872 0 40 IFAB COc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)cc(OC)c1OC 16260482 ZPPSCXKHLYKYLI-UHFFFAOYSA-N 447.447 2.957 0 40 IFAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O 17316977 MZYSZLYMGUCLJF-UHFFFAOYSA-N 425.489 2.573 0 40 IFAB COc1ccccc1OCC(=O)N1CC[C@H](C(=O)c2cnn(-c3ccc(C)cc3)c2N)C1 19213262 LFYYXXOJYSKVFE-KRWDZBQOSA-N 434.496 2.882 0 40 IFAB C[C@@H]1CN(c2nccc(CN3CCC(c4nc(-c5cccnc5)n[nH]4)CC3)n2)C[C@@H](C)O1 19497685 LOOUJUZVQXJWHC-IAGOWNOFSA-N 434.548 2.650 0 40 IFAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499389 KEVVMLYFPQQZKR-KKSFZXQISA-N 440.544 2.742 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1C 19571428 XZGQJPQUAXGEKA-LJQANCHMSA-N 446.573 2.792 0 40 IFAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)c4ccnc(NC)c4)CC3)nc2)cn1 19688002 LUWLMBRXIUINQZ-UHFFFAOYSA-N 430.512 2.960 0 40 IFAB CC(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699963 ANISMXYTEOJNML-NRFANRHFSA-N 440.588 2.653 0 40 IFAB Cc1nn2c([C@@H]3CN(C(=O)COc4ccccc4)CCO3)ccnc2c1Cn1ccnc1C 19707592 WKFBNQAUAOAVNM-QFIPXVFZSA-N 446.511 2.570 0 40 IFAB CN1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)[C@H](c2ccccc2)C1 19751674 DCQCPCAXGOQJJH-QFIPXVFZSA-N 448.498 2.755 0 40 IFAB C[C@@H]1CCCN(CC(=O)N2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)C1 19756777 VQISVXHZSPEVRY-MRXNPFEDSA-N 442.589 2.698 0 40 IFAB Cc1nc([C@H]2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O 19758123 HYZFZZRQBKKKNJ-IBGZPJMESA-N 434.544 2.905 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20757156 KORZJRHCDXYWAD-JZKSTIEOSA-N 442.519 2.930 0 40 IFAB biogenic NC(=O)[C@H]1CCCN1c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 22225572 MZNWNUCEQVIGQY-CQSZACIVSA-N 429.571 2.706 0 40 IFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1 23805196 STYKECDOGKCIAO-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN(c2ccccn2)CC1 27588032 VKUBKKGMVIYXSX-UHFFFAOYSA-N 426.336 2.672 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 31602486 PZGPLBBDVXGNLO-GOSISDBHSA-N 432.542 2.763 0 40 IFAB O=C(c1cccn1Cc1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 32754593 CVFMIZWNCCMORR-UHFFFAOYSA-N 433.537 2.564 0 40 IFAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 32882396 DVTCKLLFMHPWFM-UHFFFAOYSA-N 448.570 2.901 0 40 IFAB O=C(c1cc(F)ccc1Br)N1CCN(c2nnnn2-c2ccccc2)CC1 36748104 CQBKWOZZVLQMCF-UHFFFAOYSA-N 431.269 2.526 0 40 IFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[nH]c(=O)c32)c(F)c1 38828199 BRNWCNXQKGDXKW-MELADBBJSA-N 427.480 2.764 0 40 IFAB O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 40069450 YHPBGGLZYPYWQG-NRFANRHFSA-N 431.536 2.949 0 40 IFAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1 40399845 APAWQQYTAACHEL-QGZVFWFLSA-N 447.451 2.789 0 40 IFAB Cc1nc(NC(=O)[C@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)sc1C(=O)N(C)C 49025909 BTOJKGVJOKSZJE-LBPRGKRZSA-N 429.477 2.716 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)ncn2)n1 70656054 VGQNCHDMAWJWMR-KRWDZBQOSA-N 434.500 2.905 0 40 IFAB C[C@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 72274684 ZEJWSNKLFPCMHR-QKFKETGDSA-N 427.501 2.620 0 40 IFAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(C(=O)c4cnccn4)CC3)c2C)cc1 78726044 IQDAHJHOHXOCAK-CMDGGOBGSA-N 444.539 2.644 0 40 IFAB O=C(NCC1CCOCC1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155938 UAZMVZMSNXAMRW-UHFFFAOYSA-N 433.556 2.813 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(Cc5cccnc5)C4)nn3c(O)c2C1 100233694 UGAWOPFOBLDYJK-SFHVURJKSA-N 434.544 2.750 0 40 IFAB Cc1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1Cl 102396633 QZUZMKDCPQFRDE-TXEJJXNPSA-N 427.284 2.959 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 110530816 RXEWNYZQGWEPRF-NZSAHSFTSA-N 425.547 2.821 0 40 IFAB COc1ccc(Br)cc1CCC(=O)N1CC[C@H](N2C(=O)CSC2=O)C1 217783060 ZEOSXADGBPIJCI-ZDUSSCGKSA-N 427.320 2.687 0 40 IFAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218157466 KFEZPHKSZLBFFM-CNNODRBYSA-N 446.525 2.577 0 40 IFAB CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 223018995 UTTFURKMLMNOPQ-UHFFFAOYSA-N 431.333 2.572 0 40 IFAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 223169063 DYCVNAMUAFNMCI-HNNXBMFYSA-N 432.542 2.836 0 40 IFAB CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc(I)cc1 223772305 ANCGIFRWZKGYDN-UHFFFAOYSA-N 448.326 2.674 0 40 IFAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 223778515 CIOQXNOJRHKGAP-UHFFFAOYSA-N 437.537 2.757 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)n[nH]c1=O 225549188 GEYXTGGVIRIANS-INIZCTEOSA-N 443.548 2.563 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(Cc4cccnc4)C[C@H]3c3cccnc3)C2=O)cc1 306137800 RGQIHTFQPWTALQ-AZGAKELHSA-N 444.535 2.882 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 408654404 BMWCUXMTRFSFPC-WWLNLUSPSA-N 446.459 2.802 0 40 IFAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)NC[C@H](CO)Cc2ccccc2)cc1 502807255 FRCYGWPXZOGDPI-NQIIRXRSSA-N 426.517 2.960 0 40 IFAB C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CCN(S(=O)(=O)C2CC2)CC1 540217978 WVKLLEBGUKEPMW-HNNXBMFYSA-N 427.998 2.623 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCn1cccn1 604406281 ZYJJPECEPBHILE-JOCHJYFZSA-N 429.480 2.595 0 40 IFAB biogenic Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CN1CCN(C)CC1)CCOCCO2 643572606 IXOZFNZLPKYWEC-UHFFFAOYSA-N 437.584 2.571 0 40 IFAB O=C(C1CC(F)(F)C1)N1CCO[C@]2(C1)C(=O)N(Cc1cccnc1)C[C@H]2c1ccccc1 1565555662 FNUNKGCJFGWNKF-RDPSFJRHSA-N 441.478 2.851 0 40 IFAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 809700 DJVDHCPOUXJFCP-UHFFFAOYSA-N 431.539 2.876 0 40 IFAB aggregator CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nnc12 1325949 UMOKDCNNSLXKRR-HOTGVXAUSA-N 442.589 2.805 0 40 IFAB CN(CC(=O)OCC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 3269879 DZWVJDSVCOBVDY-UHFFFAOYSA-N 428.938 2.510 0 40 IFAB COc1ccc(CNC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)cc1 3340722 DYRKKPQWIITCRN-KRWDZBQOSA-N 426.535 2.551 0 40 IFAB Cc1ccc(C)c(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 4004353 FHNDMCFHJROFJM-UHFFFAOYSA-N 434.540 2.826 0 40 IFAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 8767440 HOZLIFOBQUNCMT-WCVJEAGWSA-N 430.302 2.778 0 40 IFAB O=C(c1ccc(Br)o1)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 8993376 BGPQATJBBDTOTF-UHFFFAOYSA-N 442.335 2.505 0 40 IFAB CCCCn1cnc2c1c(=O)n(Cc1nc(-c3ccsc3)no1)c(=O)n2CC(C)C 9337943 BLTKQHPXVGQIBP-UHFFFAOYSA-N 428.518 2.976 0 40 IFAB C[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 9509715 GXTMJZXSPXTDGQ-JTQLQIEISA-N 430.408 2.502 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9525877 GMXNJWHAPVDEFJ-OAHLLOKOSA-N 428.416 2.537 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)c1 10186727 VBFCHCAZDBSUMI-UHFFFAOYSA-N 449.536 2.865 0 40 IFAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10692165 COPJRTOUKLTYQF-UHFFFAOYSA-N 436.405 2.603 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 11795885 FSWLSRQGSSJANM-HNNXBMFYSA-N 435.527 2.920 0 40 IFAB O=C(CNc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12781039 ALMPBTFTFKEUHG-UHFFFAOYSA-N 427.501 2.924 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@H]1c1ccc(OC)cc1 13006977 JYPWELMUUQJECK-VQIMIIECSA-N 430.530 2.508 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC=C(c4ccccc4)CC3)CC2)cc1 13040364 AKHFAYWITYKUDS-UHFFFAOYSA-N 439.581 2.617 0 40 IFAB COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 13508537 ROZHEKBPQQNADJ-HSZRJFAPSA-N 447.495 2.870 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1NC(=O)c1ccccc1F 13566390 WQXSAXKLDAHIPJ-UHFFFAOYSA-N 435.521 2.803 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1C 13649633 POCGIDIUTNLERX-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB CCCN1CCn2c(nc3cc(NC(=O)Cn4nc(C)c5ccccc5c4=O)ccc32)C1 13688470 DPYKDAWVCBNNJL-UHFFFAOYSA-N 430.512 2.919 0 40 IFAB Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1 13957483 LBXRSYUDUAYPTH-UHFFFAOYSA-N 435.981 2.982 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O 13992295 YKNLOFDCCUPBFA-UHFFFAOYSA-N 449.551 2.681 0 40 IFAB O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 14198289 FBWWOIXTHJWKOI-QHCPKHFHSA-N 432.476 2.729 0 40 IFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 16227502 HGNXNNJOTGAAIA-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 16867379 GVGKQRAWLVOGHK-QGZVFWFLSA-N 449.507 2.764 0 40 IFAB O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 17908850 ZPRYDFQENGIOSW-UHFFFAOYSA-N 432.395 2.871 0 40 IFAB Cc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19235120 ZTZXLILHYFHHGO-HSZRJFAPSA-N 429.586 2.563 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cn1 19525033 NOQZNBVFCVVAFF-QGZVFWFLSA-N 449.577 2.769 0 40 IFAB COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)cn1 19561909 WPBVZJDYBSWDKT-HXUWFJFHSA-N 427.464 2.949 0 40 IFAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(C)c3)CC1)C2=O 19699509 NYIWVVACSZKSOS-UHFFFAOYSA-N 428.533 2.502 0 40 IFAB CNc1nc([C@H]2CCCNC2)nc2c1CCN(C(=O)c1cc(-c3cccc(OC)c3)on1)C2 19708807 LXISFJVFPSOQJH-INIZCTEOSA-N 448.527 2.847 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4cnccn4)nc32)cc1 19739965 AMXNYIXCPHXWJR-HXUWFJFHSA-N 444.495 2.650 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)ncc1C(=O)Nc1ccccc1 19765228 GBZMUEKAKVEVJA-KRWDZBQOSA-N 431.496 2.756 0 40 IFAB CCOc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 20612186 CDSDPUQZBANSQL-OAQYLSRUSA-N 432.480 2.689 0 40 IFAB biogenic Cn1ccnc1[C@H](NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 22202423 UMCAIUBKJITIFV-HSZRJFAPSA-N 446.507 2.605 0 40 IFAB COc1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl 22512180 WFQQZXZKCQMBHJ-QGZVFWFLSA-N 426.878 2.523 0 40 IFAB CCn1c(CN2CCN(c3ccccc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 23749914 NHZMWGKBNYUADF-UHFFFAOYSA-N 427.574 2.629 0 40 IFAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 23844512 ZXZFEDKZUFJOFM-DEOSSOPVSA-N 435.480 2.558 0 40 IFAB COC(=O)C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 27364454 GBFIZXQHNVHELD-JOCHJYFZSA-N 425.529 2.931 0 40 IFAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 30852817 GFOFCRZFHKCVPX-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCOCC1 32074625 BBUWQINPUQMPGG-UHFFFAOYSA-N 437.525 2.502 0 40 IFAB NS(=O)(=O)c1ccc(CCNc2ncnc3c2cnn3-c2ccccc2Cl)cc1 35586175 HBQFXTMBYMNBAL-UHFFFAOYSA-N 428.905 2.771 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCn2nc(C(F)F)cc2C(F)F)cc1 36614614 MYNITKYPKITKHD-UHFFFAOYSA-N 434.415 2.864 0 40 IFAB COc1ccc(Cn2nnnc2[C@@H](c2ccccc2Cl)N2CCC(C(N)=O)CC2)cc1 57671110 QXYNGIZQMWQOJY-HXUWFJFHSA-N 440.935 2.670 0 40 IFAB O=c1[nH]nc(SCc2nc(-c3cc(Br)cs3)no2)n1C[C@@H]1CCCO1 59832462 BCPJHBSMFSDKAG-VIFPVBQESA-N 444.336 2.917 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1OC 67322898 DBYUCIMWXGNPKV-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)N1CCCCCC1 71286423 OVDYELPSZMSTSQ-UHFFFAOYSA-N 429.952 2.626 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(OC)cc2)c1C 71327046 UOGMKDNSAFJQCK-UHFFFAOYSA-N 437.456 2.663 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(CSC3=NCCS3)CC2)cc1 77101463 QGZHVWQNESSPNG-UHFFFAOYSA-N 427.617 2.625 0 40 IFAB CN(CCCC(=O)N(C[C@H](O)c1ccccc1)C1CC1)S(=O)(=O)c1ccc(F)cc1 83859406 VSTVBAKGFQKNPV-NRFANRHFSA-N 434.533 2.951 0 40 IFAB COc1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(OC)c1 96121574 WUICJBBYUQXHGW-UHFFFAOYSA-N 433.452 2.776 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 101716816 NBGBHYQDHLNULT-GASCZTMLSA-N 427.328 2.880 0 40 IFAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2c2nccs2)cc1 206778727 QEEPURONLRPRDJ-MRXNPFEDSA-N 436.603 2.504 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CCCN1CCOCC1 223169543 UECULOYVJGGBOU-PKTZIBPZSA-N 448.596 2.962 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccccc1 223601545 PMGXQJPMJBYYCD-UHFFFAOYSA-N 427.526 2.648 0 40 IFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(OC)c1 223916860 YCQKUHZTJFHSPP-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224243939 BYJCREMGKMNRSY-GOSISDBHSA-N 440.949 2.943 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225541468 BTPHMNBBYIJBBW-INIZCTEOSA-N 444.488 2.593 0 40 IFAB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 225633343 ADGUZFXRDCFUNX-CHWSQXEVSA-N 436.249 2.772 0 40 IFAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC[C@H]2CCCO2)cc(OC)c1O 257173557 QRIAPRCFJJKGKN-UXHICEINSA-N 426.513 2.632 0 40 IFAB O=C1NCCN(C(=O)CN2Cc3ccccc3C2=O)[C@@H]1Cc1ccccc1-c1ccccc1 257253231 JYBJKLXYQQDRPD-XMMPIXPASA-N 439.515 2.879 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 260888543 BGZGYNDVWXNDOS-MOPGFXCFSA-N 446.569 2.988 0 40 IFAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)CC3CC3)CC2)C1 306123705 AUGOYYAJGDICKW-UHFFFAOYSA-N 427.480 2.784 0 40 IFAB COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 306143116 XTOYAZDHDAFPOQ-FGZHOGPDSA-N 449.642 2.773 0 40 IFAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OCC 408701441 YAEIZYQPZMBPBD-UHFFFAOYSA-N 445.585 2.963 0 40 IFAB CCOC(=O)c1ccn(-c2ccccc2NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)n1 519398557 GBZCCAFFXKQELD-HNNXBMFYSA-N 434.452 2.802 0 40 IFAB O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)c1nnn(C2CC2)c1C(F)(F)F 683255917 KRQFZGJTMWHJPL-NSHDSACASA-N 447.255 2.975 0 40 IFAB CC(=O)N(C)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCCCO)CC1 1286843562 XSGQOFOCVWXESD-UHFFFAOYSA-N 438.576 2.891 0 40 IFAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2coc3ccccc3c2=O)c1O 1547206041 MJALWCUPUWOHOO-INIZCTEOSA-N 427.453 2.700 0 40 IFAB CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)C1=O 1557235124 YKIJEIKHGMORPB-UPCLLVRISA-N 449.511 2.966 0 40 IFAB Cn1c(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NCC5CC5)n4CC3)C2)cc2ccccc21 2055793253 GUUFSLLTUHFTBK-RUZDIDTESA-N 446.555 2.778 0 40 IFAB Cc1ccnc(N2CCC[C@]3(CCCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)C2)n1 2056224838 YLWNRNBFWQLNEE-QFIPXVFZSA-N 444.557 2.628 0 40 IFAB O=C(CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)NCC(F)(F)F 2627371 GZPPDSFMRBAZPS-UHFFFAOYSA-N 437.465 2.773 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)cc1 2630813 JOKZKVJPNLWUQG-QGZVFWFLSA-N 434.496 2.875 0 40 IFAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 2921221 DWBVEAGSNKRHNN-UHFFFAOYSA-N 427.526 2.959 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1 3314532 FKLYGCRAVHGLLH-UHFFFAOYSA-N 426.494 2.557 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)no1 3365380 USDCEKIIPLSGMH-UHFFFAOYSA-N 435.502 2.732 0 40 IFAB COc1ccc2c(c1)cc(C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c1ccccc1)C(C)C)n2C 8790419 MBJGQZDHOFFOQS-LEWJYISDSA-N 437.496 2.883 0 40 IFAB biogenic COc1ccc(CC(=O)NCCn2ncc3c(N4CCCCC4)nc(SC)nc32)cc1 8946084 KWJHYOPWSPYXPP-UHFFFAOYSA-N 440.573 2.906 0 40 IFAB COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(S(C)(=O)=O)CC1 9290731 SGCRJODAJONNRS-IBGZPJMESA-N 427.526 2.990 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3F)C2)cc1 9418758 UBKJONNAQMRDKR-SFHVURJKSA-N 447.532 2.544 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)CC1 10113796 IUDRIDNRIUZOHH-LJQANCHMSA-N 445.585 2.815 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(N2CCCC2=O)cc1 10454078 HCAFNYRGDDPBRF-NRFANRHFSA-N 447.532 2.572 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1ncnc2c1cnn2C 11682334 UQNVUQIBJWPGJS-UHFFFAOYSA-N 438.435 2.571 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@H](C)c3nn(C)c(=O)c4ccccc34)nn2c(O)c1C 12154031 IWJLVXZXNYYCHJ-AUUYWEPGSA-N 446.511 2.766 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c(C)c2)CC1 12527800 RMKFNYZCOUZVNZ-UHFFFAOYSA-N 444.601 2.850 0 40 IFAB Cn1ccnc1[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F 12550474 MBNHTHPXGHMDHE-OAHLLOKOSA-N 431.436 2.668 0 40 IFAB CCOC(=O)N1CCN(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12902226 VHSLWDOUQUTZTJ-UHFFFAOYSA-N 443.875 2.711 0 40 IFAB CCn1c(=O)n(CC(=O)NCC(=O)Nc2ccc(Br)cc2C)c2ccccc21 12993537 PMSLUPTWILBGNT-UHFFFAOYSA-N 445.317 2.649 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccco1 13554491 OJUNXWCXLGPULU-XVRHYDNXSA-N 427.526 2.697 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 14094701 RAVULOIOQTWILU-QHCPKHFHSA-N 440.475 2.713 0 40 IFAB COc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1S(=O)(=O)N(C)C 16233438 CCDLXLZVULKKQU-UHFFFAOYSA-N 434.543 2.968 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)[C@@H]2C(=O)O 17094817 MGSFTDAWOKSRAH-MJSCVDMRSA-N 426.473 2.575 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)ncc1C(=O)N1CCOCC1 19757798 JYGIWVXAHKCCQJ-LJQANCHMSA-N 447.539 2.687 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1C 20013689 BQWODDOZYJJUQY-OAHLLOKOSA-N 436.530 2.519 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccc(OC)c3OC)C2)cc1 20052128 YNALFFOFKCPBSZ-OAQYLSRUSA-N 439.512 2.722 0 40 IFAB Cc1c(O[C@H](C)C(=O)NCCCN2CCOCC2)ccc2c3c(c(=O)oc12)CCCC3 20548039 AZOVYCDVNXOSLN-QGZVFWFLSA-N 428.529 2.586 0 40 IFAB COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCNCC3)[C@H]2C)OCO4)cc(OC)c1OC 22037392 DBEFHKMWRWJVAF-FKIJXQQXSA-N 442.512 2.833 0 40 IFAB COc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)CC(C)(C)O2 22362714 DZSRKSDVBIUTKX-KRWDZBQOSA-N 448.541 2.888 0 40 IFAB C[C@H](NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 22812124 YQMIBMWGRBBANT-IBGZPJMESA-N 428.621 2.665 0 40 IFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(CN2C(=O)CCC2=O)cc1 23054662 XAWOZJKVROTCFL-UHFFFAOYSA-N 427.844 2.926 0 40 IFAB CCCN1C(=O)C(=O)N(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)C1=O 23842289 HDYJTOUQNSXRME-OAQYLSRUSA-N 437.496 2.810 0 40 IFAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccs1 23907616 VCJAOUSUQJPNED-SFHVURJKSA-N 433.555 2.852 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 24758096 PQGIJOCEBHXMOL-CQSZACIVSA-N 440.468 2.800 0 40 IFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl)N1CCOCC1 27029011 OIFMMHAKLIOODJ-KRWDZBQOSA-N 443.352 2.742 0 40 IFAB CCOC(=O)c1sc(NC(=O)CCC(=O)N2CCN(c3ccccc3F)CC2)nc1C 27913110 ZUAVGODOYJGOGC-UHFFFAOYSA-N 448.520 2.835 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28558752 PLTFXUNSMRXGBU-UHFFFAOYSA-N 434.496 2.745 0 40 IFAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 32910578 SEPUTKUTLPCDQI-WMZOPIPTSA-N 448.545 2.578 0 40 IFAB CCN1CCN2CCCN(Cn3nc(-c4ccc(Cl)cc4)n(CC)c3=S)[C@@H]2C1=O 32937597 JJJZDZUTWNRUOI-GOSISDBHSA-N 434.997 2.908 0 40 IFAB COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c(OC)c(OC)c1OC 35326603 BGKQQJIPNGIZAA-KRWDZBQOSA-N 427.409 2.818 0 40 IFAB O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 36394648 ITSNDZGXCKWRID-GOSISDBHSA-N 446.548 2.538 0 40 IFAB CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NCCc2c[nH]c3ccccc23)cc1 36596556 JWSAZBZGNJQFGO-YADHBBJMSA-N 446.594 2.502 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 39996267 YZIHPHTVRPWWAP-CHWSQXEVSA-N 444.431 2.943 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc(F)c(Cl)c1 40478207 ZRHUQMZJRAXQKO-UHFFFAOYSA-N 430.802 2.607 0 40 IFAB O=C(NCCN1CCOCC1)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 45824009 LHHIFEAOHOJHPQ-UHFFFAOYSA-N 425.573 2.581 0 40 IFAB COc1cccc(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)SCCC5)CC2)c1 49403696 YGMQJAJBGKBKFS-UHFFFAOYSA-N 436.537 2.863 0 40 IFAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)CN3CCN(C)CC3)c12 72283835 YLPVPFKEMDNNQQ-MRXNPFEDSA-N 426.609 2.985 0 40 IFAB COc1cccc(Cc2cccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)n2)c1 72350346 STUXRNBTPMSBRH-UHFFFAOYSA-N 426.542 2.983 0 40 IFAB O=C1CCCN1CCOCC(=O)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353139 WDKIHIQWAPCCBQ-LJQANCHMSA-N 427.480 2.662 0 40 IFAB CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)NCc1ccccc1)CC2 96143636 UQDBJBVMWGEAGJ-XZOQPEGZSA-N 447.583 2.736 0 40 IFAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C 100393110 MVXNAJNGLVQNKU-ICPLQIHGSA-N 446.569 2.957 0 40 IFAB biogenic,in-vitro CC(=O)N[C@@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccc(Br)cc1 195723457 YETYQIWNDDLANB-SFHVURJKSA-N 442.317 2.914 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CCN1CCOCC1 223126769 APORXRLDGGUEEX-FCHUYYIVSA-N 434.569 2.572 0 40 IFAB CCCOc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 225002324 YLBNTJRHJKWXSB-UHFFFAOYSA-N 447.557 2.717 0 40 IFAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 225065212 ZJZYMQYBJSXXHU-MRXNPFEDSA-N 432.542 2.770 0 40 IFAB CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C(C)(C)NC(=O)Cc3cccc(F)c3)C2)n1 257314005 UUZZRWLKVDKUGZ-XMMPIXPASA-N 441.551 2.983 0 40 IFAB COC(=O)C[C@@H](c1cc2ccccc2nc1O)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404942 JVYPGVAPOGPLEH-KRWDZBQOSA-N 448.479 2.777 0 40 IFAB biogenic CC(=O)N1CCCN(C)CCN(C(=O)c2cc(C(C)(C)C)nc(O)n2)Cc2ccccc21 643557110 DQLAWXKYEPEUTQ-UHFFFAOYSA-N 439.560 2.811 0 40 IFAB Cc1ccc(NC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1-n1cnnn1 1115867934 HQKWHNGXZKVBAX-UHFFFAOYSA-N 445.483 2.511 0 40 IFAB O=S(=O)(NC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 695732 ASQAARCKGLAPAV-UHFFFAOYSA-N 430.498 2.533 0 40 IFAB Cn1c(=O)c2c(nc(Oc3ccc(C=O)cc3)n2Cc2c(F)cccc2Cl)n(C)c1=O 1409270 OJYNRPJVHDNOCP-UHFFFAOYSA-N 442.834 2.879 0 40 IFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1 3238910 RMZJPIPKOPDBIL-QGZVFWFLSA-N 441.553 2.569 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 8718202 VDXNSIQYDOCWLC-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB O=C([C@H]1CN(C(=O)/C=C/c2ccc3ccccc3n2)c2ccccc2O1)N1CCOCC1 8723589 RYMMAWZTOINYRL-HRBBJJPOSA-N 429.476 2.901 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2c(OC)cccc2OC)[C@@H](C)C1 8741802 UJYYKKAGNDDXCJ-HNNXBMFYSA-N 428.485 2.708 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCN(c4ccccc4)C[C@H]32)C1=O 8768172 KYJQXUSOYBKPOD-IBGZPJMESA-N 438.915 2.628 0 40 IFAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9061345 XVFQESNBXYQSTJ-QZUCXDRTSA-N 428.488 2.934 0 40 IFAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)c(C)n23)n(C)c1=O 9297080 LERANYQMYULWGF-CYBMUJFWSA-N 427.892 2.867 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)cc1 9595023 DMHDUBGCAUXCSV-UHFFFAOYSA-N 449.536 2.877 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21)Nc1cc(F)ccc1F 9675501 ORAYJEGSYGRIIF-JKSUJKDBSA-N 437.765 2.689 0 40 IFAB Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 9744514 YGAFFSWNMRAVSK-GOSISDBHSA-N 447.532 2.822 0 40 IFAB O=C1NC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)C(=O)N1CCc1ccccc1 11694169 AKOCOSGSOLBZGQ-UHFFFAOYSA-N 447.944 2.658 0 40 IFAB Cc1cnc(-c2nc(N3CCN(c4ncccn4)CC3)ncc2-c2onc(C)c2C)cn1 12156270 MRRSAJGJYPFRLY-UHFFFAOYSA-N 429.488 2.630 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4cnn(CC)c4)C3)cc2n1 12276604 RLMQLSGPXJBQAB-LBPRGKRZSA-N 442.467 2.705 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n(N)c2=O)cc1 12347760 UVTYOVRYFXQIEV-UHFFFAOYSA-N 445.932 2.644 0 40 IFAB Cc1ccc(OCc2nnc(SCC(=O)NC3CC3)n2C)c(-n2nc3ccccc3n2)c1 12447409 IUYPFCPBWQELJL-UHFFFAOYSA-N 449.540 2.807 0 40 IFAB O=C(O)c1ccc(Br)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1 12516730 BWZYQIQRDJKBSH-UHFFFAOYSA-N 440.197 2.867 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 12791572 MCQPKOPPHLQIDX-QLFBSQMISA-N 434.027 2.601 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C(=O)COc2ccccc21 12993347 RZDBSKAPLOZLOV-UHFFFAOYSA-N 446.301 2.580 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccc(F)cc12 13592306 ALNSSYUUUQIIGH-XEUURLQDSA-N 433.867 2.633 0 40 IFAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 14200573 DAAZYDZNFQCUHP-GJZGRUSLSA-N 444.586 2.960 0 40 IFAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2C1=O 15628072 PMKYPHBFTGEQHP-UHFFFAOYSA-N 435.461 2.695 0 40 IFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16047172 BCQWUYCSUSKCOC-SJCJKPOMSA-N 436.434 2.820 0 40 IFAB O=S(=O)(CCN1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1 16481293 TYXNIORXVYOQNT-UHFFFAOYSA-N 425.348 2.751 0 40 IFAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)Cc4cccnc4)CCO3)c2)cc1 19212698 RJIBSABHZQHULE-AREMUKBSSA-N 429.520 2.925 0 40 IFAB CCN1C[C@H](C(=O)N2CCC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)CC1=O 19526910 GIGDGLBRDDPROW-HLPPOEQASA-N 427.471 2.765 0 40 IFAB CCN1C[C@@H](C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccc(C)cc3)C2)CC1=O 19526947 DOKLNKITAUCQBV-YADHBBJMSA-N 433.552 2.648 0 40 IFAB CCOCc1ccc(C(=O)N2CCc3c(nc([C@H]4CCCN4C(C)=O)nc3NC)C2)cc1 19707518 UKUZEKSTYQLWLY-OAQYLSRUSA-N 437.544 2.937 0 40 IFAB Cc1cnc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)s1 20030570 RDYFSTYYYZSYEV-UHFFFAOYSA-N 430.559 2.595 0 40 IFAB O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 20460401 VGBFIPIVIKGCMX-UHFFFAOYSA-N 427.570 2.965 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 20559055 YJHHOAKZHMEMSH-FQEVSTJZSA-N 432.590 2.870 0 40 IFAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1Br 21454131 GNDXYAVDHBBMKC-CYBMUJFWSA-N 435.274 2.881 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC 22330610 LCEZXOGXFAFOKU-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1 22605427 DOPZTXVBRHKOSU-UHFFFAOYSA-N 436.603 2.906 0 40 IFAB CCOc1ccc(-c2noc(Cn3c(=O)n(C[C@H]4CCCO4)c(=O)c4ccccc43)n2)cc1 23126723 BKCZZWKBOWLCCM-GOSISDBHSA-N 448.479 2.839 0 40 IFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(Cl)c2c(c1)OCCO2 24175479 ZFSCRASLAAJFBY-JOCHJYFZSA-N 442.855 2.763 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 24757140 MMWKJSWCCKQBTO-UHFFFAOYSA-N 434.539 2.780 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 26409223 ULEWKZOTSLCJFO-JXFKEZNVSA-N 448.541 2.810 0 40 IFAB CC(C)[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1 32858294 NNUFXNNRFINRGN-IBGZPJMESA-N 432.571 2.826 0 40 IFAB COC(=O)c1sccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 32888442 RKMJCJZABRCHNC-UHFFFAOYSA-N 444.509 2.839 0 40 IFAB CC[C@@H](CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 35334030 PSHSNVYKFLYUOI-OALUTQOASA-N 447.576 2.831 0 40 IFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc21 36367060 ZELPDPXVKQGBBM-OAQYLSRUSA-N 429.423 2.952 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)cc1 57426690 RCOKQXGBEWUEBB-UHFFFAOYSA-N 428.514 2.868 0 40 IFAB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2cc(=O)n3ccsc3n2)C1 57984756 IFIBYTFOZALUSK-GFCCVEGCSA-N 448.346 2.764 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316639 VTYQCVJVBOYAGP-UHFFFAOYSA-N 425.460 2.930 0 40 IFAB COc1ccc(NC(=O)CN2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1Cl 79022025 PGFFMUADLAWODJ-CQSZACIVSA-N 437.928 2.585 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccccc1C(=O)NCc1ccco1 84500183 XRYBDDNVLFOQFV-BJLQDIEVSA-N 442.541 2.874 0 40 IFAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCc1ncno1 84810477 ZZRCWPRSKVMYNR-UHFFFAOYSA-N 434.452 2.627 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc([C@@H](O)c2cccs2)s1 90613773 KFDBKDPAZFVVCB-SFHVURJKSA-N 430.507 2.553 0 40 IFAB O=C(NCCCN1CCOCC1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037790 WONIEWAVEBRYDH-UHFFFAOYSA-N 446.555 2.869 0 40 IFAB COc1nc2cc(C)ccc2cc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 100737879 VHNHTNQTIVDKQN-SFTDATJTSA-N 434.540 2.975 0 40 IFAB O=C(NCc1nc(-c2cccs2)no1)c1cccc(S(=O)(=O)N2CCCCC2)c1 219987444 UORCWWZORBZWQC-UHFFFAOYSA-N 432.527 2.903 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223788201 ICEGLXJSIYDPMP-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 225817394 FXUUNVYBBVYFGI-UHFFFAOYSA-N 444.431 2.559 0 40 IFAB Cc1ocnc1C(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCOCC2)C1 257323092 WISPGEIFNLSQPY-LPHOPBHVSA-N 447.919 2.795 0 40 IFAB O=C(CCN1C(=O)CCc2ccccc21)Nc1cccc(Cn2nc3ccccn3c2=O)c1 606173364 JHRHXDXYGDHOJR-UHFFFAOYSA-N 441.491 2.852 0 40 IFAB Cc1cc(F)cc(CN2[C@@H]3CN(C4CCC(F)(F)CC4)C[C@@H]3OCCS2(=O)=O)c1 1534645954 YXLKXCBXXQYLGD-MOPGFXCFSA-N 432.508 2.927 0 40 IFAB CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)C(O)=C4O)ccc2Cl)cc1 1560410201 JMNRYNIWKPQJHE-BVSLBCMMSA-N 434.872 2.962 0 40 IFAB O=C1CN2CCN(C(=O)C3CCCC3)C[C@@H]2COc2ccc(-c3cccnc3F)cc2N1 1772594721 USWIFQCQWKOFAE-GOSISDBHSA-N 438.503 2.922 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)NC3CN(c4ncnc5ccsc45)C3)cc2)co1 1888962464 YCGKJDGVYUDOOT-UHFFFAOYSA-N 427.511 2.822 0 40 IFAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(Cc2ccccc2)C1=S 1421199 CZFPONVBPBSHBI-GOSISDBHSA-N 425.510 2.820 0 40 IFAB O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NC[C@H]1CCCO1 2459547 SGWJMKCMBVABEB-CQSZACIVSA-N 437.974 2.921 0 40 IFAB COc1cc(CN(C(=O)c2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8612557 HZPDXRBYPMDHEY-HNNXBMFYSA-N 437.489 2.681 0 40 IFAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)o2)c1 8940010 UIYSYIMQLVLSOS-UHFFFAOYSA-N 428.514 2.633 0 40 IFAB COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(OC)c(C)c2)c1 9110215 AAIGCEWHGJXFHD-UHFFFAOYSA-N 445.479 2.668 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(OC(F)F)cc1 11070118 DONVQIRHWCNEQO-CQSZACIVSA-N 446.454 2.922 0 40 IFAB O=C(COC(=O)c1ccccc1I)Nc1ccc2c(c1)OCCO2 11438006 YQXLQFRXOHWSBQ-UHFFFAOYSA-N 439.205 2.858 0 40 IFAB COc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 11913829 IJWXYZWYOOVUIL-CYBMUJFWSA-N 428.304 2.880 0 40 IFAB CCOc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 12072245 ZAKJKUYZJQALFI-UHFFFAOYSA-N 431.496 2.778 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)N3CCOCC3)c2)c1 12520886 ZZXDRAFLFWIRMV-UHFFFAOYSA-N 445.585 2.945 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12855127 BPGXXZDAIQEJRP-HNNXBMFYSA-N 439.940 2.954 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(SCC(=O)N2CCOCC2)nc2ccccc21 13082899 MNGBEKZMBSYQSX-IRXDYDNUSA-N 430.574 2.777 0 40 IFAB CCn1c(CN[C@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 13141432 VKNXGTGMRRYNCE-QGZVFWFLSA-N 428.558 2.928 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c(C)c1 13670195 QJTPFUGJGHVRGS-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1NC(=O)CSc1nncn1C 14095491 LPEAAAZRTOTSHK-UHFFFAOYSA-N 439.497 2.513 0 40 IFAB O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)N1CCCC1 14170863 DNIZTRGIDZZOEL-UHFFFAOYSA-N 449.580 2.981 0 40 IFAB CC(C)(C)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(c3ccccn3)CC2)no1 15673274 PEWUWHKXXROPBO-OALUTQOASA-N 425.577 2.874 0 40 IFAB biogenic,in-vitro COc1ccc(Br)cc1S(=O)(=O)NCc1cc(OC)c(OC)c(OC)c1 17333800 SZHLIAJJZADCMB-UHFFFAOYSA-N 446.319 2.962 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1 17826651 OFWJSQDCXHAARK-UHFFFAOYSA-N 445.585 2.739 0 40 IFAB CC(C)n1cc(C(=O)N2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cn1 19454893 FBTUNQXAVJVXMW-XMMPIXPASA-N 432.528 2.871 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(Cc1ccccc1F)C2 19558769 SPUZXHQGWQHPDD-GOSISDBHSA-N 438.463 2.548 0 40 IFAB CNC(=O)c1[nH]c(C2CCN(C(=O)c3cnc(C)nc3C)CC2)nc1-c1ccc(OC)cc1 19696937 QXGXRZGCBQEIJF-UHFFFAOYSA-N 448.527 2.872 0 40 IFAB CC(=O)N1CCC(c2nc3c(c(N(C)CCOc4ccccc4F)n2)CN(C)CC3)CC1 19710447 LMDIHQPQUJGVKR-UHFFFAOYSA-N 441.551 2.845 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1ncc(C(=O)N2CCCC2)c(C)n1 19755995 RYUKJTQGAAMAHE-KRWDZBQOSA-N 448.520 2.695 0 40 IFAB Cc1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N1CCCC1=O 20112064 HRQJQRMTQGTRPB-UHFFFAOYSA-N 440.525 2.720 0 40 IFAB CC(C)c1nc2oc3c(N4CCN(CCO)CC4)ncnc3c2c2c1COC(C)(C)C2 20518793 VLNINZFHCNZEFX-UHFFFAOYSA-N 425.533 2.860 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c1)C1CC1 22063710 KXYHEGVKPORMCT-IBGZPJMESA-N 445.516 2.644 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 22228737 XPNBWCUHIQANLI-UHFFFAOYSA-N 431.558 2.794 0 40 IFAB O=C(NCc1ccc(F)cc1)c1nnc(CSc2nnnn2-c2ccc(O)cc2)s1 23138524 GTPVGKISCPKSBG-UHFFFAOYSA-N 443.489 2.581 0 40 IFAB CCCCNC(=O)CN1CCN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)CC1 23257103 IUQKNDJPLMFCMX-UHFFFAOYSA-N 437.013 2.763 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 32105673 YZABQHRASHGITF-NRFANRHFSA-N 449.551 2.646 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Br)cc1)O2 38834032 YYDINQYYXCKZHV-INIZCTEOSA-N 425.304 2.923 0 40 IFAB O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCN(CCOc2ccccc2)CC1 40130632 VZOZTONGDJFPKQ-SFHVURJKSA-N 429.952 2.570 0 40 IFAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 40143386 PAPMAKVSWXHULF-UTKZUKDTSA-N 426.538 2.819 0 40 IFAB C[C@@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 44871863 FCVYBHWQVRBFEC-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(=O)OCC)cc2)c1=O 57427130 ZLCQUZGCOMZHPZ-UHFFFAOYSA-N 429.498 2.840 0 40 IFAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCCC1 65567859 ZCURKJCPCUUDHD-LBPRGKRZSA-N 426.894 2.627 0 40 IFAB O=C(c1ccc([C@H]2CCCN2C(=O)CCN2CCc3ccccc32)nc1)N1CCOCC1 72374449 JIKGXQOZSZNPHQ-HSZRJFAPSA-N 434.540 2.670 0 40 IFAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 72391277 KUQLPWGVNKDDIP-SANMLTNESA-N 444.535 2.990 0 40 IFAB O=C(COc1coc(CN2CCCCCC2)cc1=O)N1CCN(Cc2ccccc2)CC1 79484666 JPZXCPIVQBKKDC-UHFFFAOYSA-N 439.556 2.739 0 40 IFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2c(c(OC)c1OC)OCO2 85413048 UUFLUGRCQIXCBE-LIRRHRJNSA-N 426.377 2.605 0 40 IFAB Cc1cccc(NC(=O)CSCC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 89672803 SAYZTILPRFANKF-AVRDEDQJSA-N 429.517 2.894 0 40 IFAB O=C(N[C@H]1CCCC[C@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 95443386 FGVWWODJKOEKSN-UNMCSNQZSA-N 430.570 2.908 0 40 IFAB O=c1[nH]c2ccccc2c(=O)n1C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)CC1 101899613 HMVYQOABRBKVBN-BALXVJCKSA-N 441.528 2.503 0 40 IFAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1c1ccc(F)cc1)[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]31 217574066 ZKXHQSHCOVDPJB-DWIKVQACSA-N 434.398 2.692 0 40 IFAB C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccccc1F)S(C)(=O)=O 220304117 UDHXOXFKBNAWGX-OAHLLOKOSA-N 433.505 2.855 0 40 IFAB CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O 220618068 FVLXOKVUGUKRPT-QFIPXVFZSA-N 445.585 2.584 0 40 IFAB COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 224349737 XHRJTSYFECGSQC-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccc(C)cc4O3)ccc21 225109175 JOGHIFOKTQOIPS-QGZVFWFLSA-N 447.538 2.557 0 40 IFAB Cc1noc(-c2cccn3c(CNS(=O)(=O)c4cc(Cl)ccc4Cl)nnc23)n1 225749915 PGMUCZHGGAEEPC-UHFFFAOYSA-N 439.284 2.873 0 40 IFAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225761048 HKFVQKUOBLIVLG-UHFFFAOYSA-N 433.917 2.677 0 40 IFAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)cc2c1OCCO2 257334894 YHUNTVBCZCTVOR-MPNSVLMISA-N 431.529 2.847 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2nnc(SC(C)C)s2)Oc2ccccc21 260813161 QBNFSMOMYUMNIR-CYBMUJFWSA-N 428.561 2.594 0 40 IFAB COc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 306138892 SKGZTOYPPFTCHU-AOYPEHQESA-N 444.535 2.882 0 40 IFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(Br)c(Cl)c1 408666605 VFCKURZVVHALSU-FKFWPICOSA-N 428.666 2.782 0 40 IFAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1 409173879 OPLVHOZTHBOUMO-WOJGMQOQSA-N 439.493 2.788 0 40 IFAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 520920472 VCEXJAONFADPQC-UHFFFAOYSA-N 446.451 2.642 0 40 IFAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4ccccc4-n4ccnn4)CC3)cc2NC1=O 541431122 VSOPNMOIGLBNDR-HNNXBMFYSA-N 445.479 2.722 0 40 IFAB CCC(=O)N1CCCN(C)CCCN(C(=O)Cn2cccn2)Cc2cc(F)c(F)cc21 643581208 DJOJFXGTBJCVQN-UHFFFAOYSA-N 433.503 2.659 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 627801 GCSRYIUBFIRDKF-PHJXOXRPSA-N 434.517 2.807 0 40 IFAB CCOC(=O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1 2117577 WSVIPPZVAMJPJY-BOPFTXTBSA-N 431.286 2.899 0 40 IFAB CN(C)CCCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CN(C)CC3 2328240 GHUIIRLVNBZCDQ-UHFFFAOYSA-N 432.977 2.807 0 40 IFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)OCO2 3252536 YWUXFPHWTMSDKC-UHFFFAOYSA-N 429.432 2.849 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1 3442415 PTOYVIJBEHHAMP-UHFFFAOYSA-N 433.482 2.528 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4ccccc43)C2=O)cc1OC 8883470 WGFFWNRRQUHOEU-UUOWRZLLSA-N 437.496 2.665 0 40 IFAB COc1ccc(CNS(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1OC 8936341 VDPQDVRWADYFAF-UHFFFAOYSA-N 446.319 2.962 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCSc3ccccc32)cc1 9222099 NCOUDPLLVQUVSQ-SFHVURJKSA-N 433.555 2.619 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)C1CCCC1 9391629 ALWBCCCFWXWZJW-FUHWJXTLSA-N 441.553 2.785 0 40 IFAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3ccccc3)nc(C(C)(C)C)nc21 9509540 SJYFDTIUQRKYSP-UHFFFAOYSA-N 441.557 2.929 0 40 IFAB NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9664095 NMWZVMVGDKGJOU-ZDUSSCGKSA-N 433.511 2.775 0 40 IFAB CC(=O)Oc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)cc1 10042293 MMXBZOVTLWVCTC-UHFFFAOYSA-N 434.242 2.530 0 40 IFAB CCCCc1ccc(NCCN2N=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 10108875 YXJLGJXOXSPMMC-MRXNPFEDSA-N 437.548 2.645 0 40 IFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc(O)nc1 11325312 WUWNXXBXEAIXNG-UHFFFAOYSA-N 427.438 2.612 0 40 IFAB COc1cc(OC)nc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)n1 11541029 QWTRKGGWERPQOU-UHFFFAOYSA-N 432.531 2.803 0 40 IFAB Cn1c(=O)c2ccccc2n2c(CNc3cc4c(cc3Br)OCCO4)nnc12 11624788 OFXNYDHEFBVXAV-UHFFFAOYSA-N 442.273 2.727 0 40 IFAB COc1ccc(CN(CC(=O)NCCc2ccccc2)S(=O)(=O)c2cccnc2)cc1 11696069 WXGXNRKGRKKVQH-UHFFFAOYSA-N 439.537 2.640 0 40 IFAB CS(=O)(=O)c1cccc(C(=O)OCc2cc3c(cc2Br)OCCO3)c1 11836081 NWRHYHHEKWLFDV-UHFFFAOYSA-N 427.272 2.981 0 40 IFAB O=C(NCCc1cnc[nH]1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 12322511 URAGGLKAZHRZGT-UHFFFAOYSA-N 445.501 2.932 0 40 IFAB O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12390429 VXSHZUMZTYMHOS-ZDUSSCGKSA-N 446.305 2.587 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 12528493 ZEXTTXWCMJORGS-LJQANCHMSA-N 449.429 2.770 0 40 IFAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 13042568 KVWOVKGNNRDECZ-UHFFFAOYSA-N 427.892 2.730 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1 13063162 KOOPSQPXTLIAED-UHFFFAOYSA-N 441.303 2.723 0 40 IFAB COc1ccc([C@H]2OCCn3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1O 13572379 ZFHNPAGQOQCSRB-HSZRJFAPSA-N 447.491 2.848 0 40 IFAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC 15739208 QELYLYOKLLYXIY-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(OC)c(OC)c(OC)c1 18094609 SOVCXSAPGPCYCC-UHFFFAOYSA-N 430.457 2.584 0 40 IFAB COc1ccc(OCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19556747 MPFUVZSGYDLDPQ-XOKHGSTOSA-N 439.438 2.892 0 40 IFAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 19572449 PEGZIOFUUMPCBD-QFIPXVFZSA-N 445.585 2.618 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3cnc(C(C)C)nc3)cc2)[C@@H](C(=O)N(C)C)C1 19698763 JJORHCFCJINXSJ-PKTZIBPZSA-N 437.588 2.882 0 40 IFAB CC1(C)C[C@@](CC(=O)N2CCc3nc(N)c(C(N)=O)cc3C2)(Cc2ccccc2)CCO1 19701041 UCGYCQXJDVVSJG-RUZDIDTESA-N 436.556 2.856 0 40 IFAB CNc1cc(C(=O)N2CC[C@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)ccn1 19702357 UUVPAXVOEHXKBD-HNNXBMFYSA-N 439.541 2.739 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)ncc1C(=O)N1CCCCC1 19763265 ODOTZYMXBLGHJQ-SFHVURJKSA-N 449.555 2.608 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)CC1 20061787 CHMDQPULMHGCID-UHFFFAOYSA-N 436.574 2.831 0 40 IFAB CN1CCN(CN2C(=O)[C@](O)(CC(=O)c3ccc4c(c3)CCCC4)c3ccccc32)CC1 20414353 TXIHOTHCKULFLC-SANMLTNESA-N 433.552 2.578 0 40 IFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F 20716368 VSTHLZSUYUJKEL-VFZGTOFNSA-N 425.258 2.530 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1c(F)cccc1F 22250074 KDXDVGXKWPRYLU-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)no3)nc12 23128097 ULANCRKWRJHXLZ-UHFFFAOYSA-N 446.529 2.979 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 23798771 AWUCWUWAXGBOEE-UHFFFAOYSA-N 428.489 2.599 0 40 IFAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 25345692 HFMIILZHXSJMPG-UHFFFAOYSA-N 426.460 2.922 0 40 IFAB COc1cc(N2C[C@@H](C(=O)/N=c3/sc4ccccc4n3C)CC2=O)cc(OC)c1OC 30808809 MFCZOMJPTMBRJI-URHHSZMMSA-N 441.509 2.746 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 30946218 FOQNRMPLXMIIAP-IBGZPJMESA-N 438.933 2.924 0 40 IFAB O=C(NCc1cccnc1N1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 32017517 XNXQFQGQEKAFDS-UHFFFAOYSA-N 441.491 2.547 0 40 IFAB O=c1c2ccccc2nc(CN2CCOCC2)n1C[C@H](O)c1cccc(Br)c1 32810176 REHJHZWUZJCBEF-IBGZPJMESA-N 444.329 2.725 0 40 IFAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1CCN(C(=O)c2cccs2)CC1 32842086 ITAAFPUHGKRKTG-UHFFFAOYSA-N 437.447 2.978 0 40 IFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2Cn2cccn2)c1OC 40088148 AUURFTDIELGQDU-CMDGGOBGSA-N 443.481 2.847 0 40 IFAB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 58370308 GTLYFIYXOUZKGE-UHFFFAOYSA-N 448.516 2.816 0 40 IFAB O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 63376416 MMOFNVSYNNVNOS-QZTJIDSGSA-N 441.391 2.986 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)NCCn3cnc(-c4ccccc4)cc3=O)CC2=O)cc1C 70655818 ONYDLXMIUPITCH-FQEVSTJZSA-N 430.508 2.696 0 40 IFAB CC(=O)c1c(C)nn(CCC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)c1C 72340749 RRTYZUIEQHSNTJ-UHFFFAOYSA-N 431.500 2.556 0 40 IFAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1 72353925 XWCBYFGUHZEKEL-QHCPKHFHSA-N 434.584 2.884 0 40 IFAB CNc1cc(Nc2nccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)ncn1 72377722 HTXVYUHOQQLQNQ-AWEZNQCLSA-N 443.508 2.759 0 40 IFAB CC12CN3CC(C)(CN(C1)C3c1cc3ccccc3nc1I)C2O 79124168 HXJBNZJUZLLXBO-UHFFFAOYSA-N 435.309 2.856 0 40 IFAB O=C(O)CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)cc1 89781018 OYJDYTWEDWEJKP-BQYQJAHWSA-N 445.522 2.922 0 40 IFAB O=C(COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1)Nc1cccc2nsnc12 95943789 DNUJLPZOFKUAPJ-COXVUDFISA-N 438.513 2.801 0 40 IFAB c1ccc(-n2ncc3c2ncn2nc(C45C[C@H]6C[C@H](C4)CC(n4ncnn4)(C6)C5)nc32)cc1 102643347 UBTRKVIBOGIAKP-SNTCSEMISA-N 438.499 2.697 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(OC)cc2OC)CC1=O 138840123 PEGKJODSJPLDMS-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB COc1c2ccc(C(=O)N3CCC[C@H](S(=O)(=O)c4ccc(F)cc4)C3)cc2nn1C 207983476 ADSSYKFDKJCGHE-KRWDZBQOSA-N 431.489 2.800 0 40 IFAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220661187 PTOFVYQJXYSJHN-NRFANRHFSA-N 433.574 2.883 0 40 IFAB COc1ccc(-c2noc(CN(C)C(=O)c3cccc(N(C)S(C)(=O)=O)c3C)n2)cc1 222445089 YXOVMPWYOPRXJR-UHFFFAOYSA-N 444.513 2.722 0 40 IFAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1 222569883 BYDLAQJUYJMLPJ-INIZCTEOSA-N 448.541 2.776 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 223109930 YYRPVMJOPRGBKT-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)cc1 223907389 XHZDKOZACCZYED-UHFFFAOYSA-N 446.485 2.533 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)CN2S(C)(=O)=O 224165986 WBZLAILLAHGOML-IBGZPJMESA-N 438.933 2.679 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225209411 JDNKRAVEINVCRA-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225535722 LGCWFEJRSMDUPY-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@@H](O)[C@@H]1O 253389943 VMCFTVWDHVWSOB-PJTJILFVSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro O=C(CN1CCC[C@@H]1c1ccnc(-c2ccccn2)n1)NCCc1nc2ccccc2[nH]1 257209616 BRCVYQKIZQSPSW-OAQYLSRUSA-N 427.512 2.911 0 40 IFAB O=C(C[C@@H]1CCCN(C(=O)c2cn3cccnc3n2)C1)NCc1ccc2c(c1)CCCO2 257217520 CZHZFLHHTSZPNR-SFHVURJKSA-N 433.512 2.613 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)c3cc(C)nc(N4CCCCC4)n3)CCN2C(C)=O)cc1 257338475 YXNLPUTTYGVJQN-QFIPXVFZSA-N 437.544 2.830 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1OC 260845685 VWAVLGLBJXYPBL-CABCVRRESA-N 436.530 2.744 0 40 IFAB Cc1ccsc1CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 306134982 ODVUTSNMTANRNH-MSOLQXFVSA-N 442.566 2.683 0 40 IFAB O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 514290325 XKBSDZZMVRBENA-LEWJYISDSA-N 432.490 2.606 0 40 IFAB biogenic,in-vitro Cc1cc(C)n([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccsc2)n1 575613894 LFXMGELBRZHAGC-LJQANCHMSA-N 432.571 2.831 0 40 IFAB COCCNC(=O)c1ccc2c(c1)[C@H](C1CCN(C(=O)c3cccc(F)c3)CC1)C(=O)N2 585113222 LIRVUAWAGFTJEX-NRFANRHFSA-N 439.487 2.790 0 40 IFAB Cc1cc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc1Br 2658364 AQJSCOXPJUCONO-GUYCJALGSA-N 427.320 2.693 0 40 IFAB COc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=S)N2C)cc(Cl)c1OCC(N)=O 2799075 GZYRVMOSBPRYAH-CXUHLZMHSA-N 445.928 2.813 0 40 IFAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)NCc1ccco1 3245840 HFBJETZZTIZXTB-UHFFFAOYSA-N 440.905 2.581 0 40 IFAB Cc1cc(Br)ccc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 3443637 ZARVSSYENLPMAD-UHFFFAOYSA-N 443.388 2.856 0 40 IFAB CC1(C)O[C@@H]2[C@@H](O1)[C@@H](COC(=O)c1ccccc1)OCO[C@@H]2COC(=O)c1ccccc1 5063248 PWLCYBVEONJDMJ-CGXNFDGLSA-N 442.464 2.962 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 9389167 OSIKJQCQIWLTEJ-UHFFFAOYSA-N 430.526 2.580 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)c1 9807391 HTLZNPMWVQLQAJ-LJQANCHMSA-N 443.569 2.828 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 11780763 GKVOFSBRLWGPHV-UHFFFAOYSA-N 429.546 2.735 0 40 IFAB COc1cc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc(OC)c1 12554976 QXAYBJOTJIQCCX-JOCHJYFZSA-N 439.512 2.922 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1OCC(F)(F)F 12773254 NNEIQXWZCNQDCS-ZDUSSCGKSA-N 445.463 2.907 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 13098101 YOGFWVPITFSQLP-NRFANRHFSA-N 443.345 2.996 0 40 IFAB COC(=O)C1CCN(C(=O)c2cc3ccccc3nc2C2=NC(=O)[C@@](C)(C(C)C)N2)CC1 13690736 NGPSXHZYASGFMT-XMMPIXPASA-N 436.512 2.551 0 40 IFAB CCOc1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)N1CCOCC1 14196539 WURARJHFGMUBFR-CSKARUKUSA-N 435.480 2.730 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1OC 14198468 ASCGOMPZLJSTID-GOSISDBHSA-N 434.286 2.907 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1 14706468 NNAYRNZGVFFLQJ-UHFFFAOYSA-N 443.617 2.649 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccco1 18411161 LHINZHWVQUOGTO-OAQYLSRUSA-N 440.452 2.965 0 40 IFAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(CC(=O)N4CCOCC4)C3)cc2N1 19083384 IWUIBFAVCNQEDC-BHYGNILZSA-N 443.514 2.865 0 40 IFAB O=C([C@@H]1CN2CCC1CC2)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19293328 FCVIGRRBYCWMEU-IAGOWNOFSA-N 436.434 2.997 0 40 IFAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 19499816 UOQXRQHILHJIBP-HUUCEWRRSA-N 428.558 2.782 0 40 IFAB Cc1nonc1C(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 19739549 GLTPCOKVJUDAPJ-UHFFFAOYSA-N 446.511 2.976 0 40 IFAB Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4cccnc4)C3)nc2n(Cc2ccccc2)c1=O 19743051 BBOWHXLATPRQSY-OAQYLSRUSA-N 441.535 2.918 0 40 IFAB Cc1nc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19766176 GONCKRXKJRDLJG-OAHLLOKOSA-N 449.964 2.821 0 40 IFAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20517962 MMUQSQNTUYTBPE-GRXQJBFDSA-N 433.961 2.756 0 40 IFAB O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 21875850 QJESEXXXDOHRDT-UHFFFAOYSA-N 433.839 2.901 0 40 IFAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 23134632 PQJRRJZELQTDSW-UHFFFAOYSA-N 430.434 2.948 0 40 IFAB CCn1c(=O)n(CC(=O)N[C@H](C)CCN2CCN(c3cccc(C)c3)CC2)c2ccccc21 32019909 BARMMLVRPIPWOH-OAQYLSRUSA-N 449.599 2.848 0 40 IFAB CC1(C)NC(=O)N(CCCSc2nnc(N3CCCCC3)n2Cc2ccco2)C1=O 40089699 JOKAEGIWGYHFBX-UHFFFAOYSA-N 432.550 2.722 0 40 IFAB COCc1nn2c(ncc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccccc1 40396530 ISWJONQIQRRGAK-UHFFFAOYSA-N 433.512 2.580 0 40 IFAB Cc1oc(C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 48326835 ZSKPUQKLEAMAFW-LJQANCHMSA-N 448.541 2.860 0 40 IFAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1)c1cc2ccccc2[nH]1 49406079 OEXYMNUUHMKRNQ-UHFFFAOYSA-N 432.459 2.922 0 40 IFAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58167928 OOFROAOSUPSVCJ-REWPJTCUSA-N 433.556 2.635 0 40 IFAB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N[C@H](CN1CCCC1=O)c1ccccc1 58248306 LLUHHLZFRVTXHE-OAQYLSRUSA-N 436.512 2.644 0 40 IFAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC 71279363 XMZWSMXFORVFRV-OCCSQVGLSA-N 435.502 2.701 0 40 IFAB COc1cc(CN2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OCC(N)=O 72353451 JEMRRNQXROOUQP-GOSISDBHSA-N 448.527 2.868 0 40 IFAB Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2c(F)cccc2F)CC3)no1 77196497 NFTJSQJYOXZOLE-UHFFFAOYSA-N 440.453 2.717 0 40 IFAB CC(C)[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1ccc2c(c1)OCCO2 84456342 RJRWIQSJZQPRLN-HGWQEYRNSA-N 433.574 2.997 0 40 IFAB Cc1ccc(SCCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 95482539 PSLFFVXCXAHBOZ-UHFFFAOYSA-N 447.626 2.843 0 40 IFAB O=c1n(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)nc(-c2cccs2)n1C1CC1 96096684 WCIMILKYFDRTLY-UHFFFAOYSA-N 442.925 2.879 0 40 IFAB COc1cccc2c1OC(=O)[C@H]1[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H]2[C@H]34)[C@@H]1C(=O)O 100833385 LETQKJKEXLWDSX-SAJBSUJWSA-N 431.491 2.553 0 40 IFAB CC(C)C[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101812833 JIOWSVRWVNPHDT-SLFFLAALSA-N 449.555 2.801 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 113945060 HRRJLBITEQSXMD-AEFFLSMTSA-N 432.542 2.982 0 40 IFAB O=C(NCCCc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 216423454 NDKYPDMPOYGJGP-UHFFFAOYSA-N 436.961 2.865 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 220350307 ZRTUMDNFQSZKSJ-SFHVURJKSA-N 433.574 2.801 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223195311 MOVAOKDBRWROCH-INIZCTEOSA-N 444.553 2.696 0 40 IFAB Cc1cc(N2CCC(CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)CC2)ccn1 253407136 VPUODUFWHOAFLU-UHFFFAOYSA-N 449.555 2.878 0 40 IFAB CNC(=O)c1sc2nc(C3(C)CCN(C(=O)CN4CCCCC4)CC3)ccc2c1N 257294614 QUXCDPNDFFNESJ-UHFFFAOYSA-N 429.590 2.604 0 40 IFAB CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]21 257342070 ZMYJKZNBGNNVQY-FHNXUGJISA-N 443.588 2.783 0 40 IFAB CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306126544 DYTMTPNGONNGEC-ZJSXRUAMSA-N 433.560 2.611 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cnn(C(C)C)c4)C[C@@H]2C3)cc1 306139902 UDPWPLOCSALNGT-ZWKOTPCHSA-N 435.532 2.621 0 40 IFAB O=C(NCCCN1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408575780 RAEMRWPYYCCCGL-XMMPIXPASA-N 439.581 2.913 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)CC1 408598304 YYUQJFRXIMULSZ-UHFFFAOYSA-N 446.573 2.984 0 40 IFAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408656488 SRABZHSMTHGNMF-GDBMZVCRSA-N 427.453 2.880 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 408658794 RJMKYDIEDQQGRD-RDJZCZTQSA-N 426.469 2.795 0 40 IFAB CN(C)c1ncc(CN2CC[C@@H]3[C@@H](CCCCc4ccccc4OCC(=O)N3C)C2)cn1 2037988953 OVNBJUBWXCTRLG-FCHUYYIVSA-N 437.588 2.997 0 40 IFAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCOC)CC(=O)N21 2111951 WIVWELDCWZJQFR-GBXCKJPGSA-N 433.508 2.898 0 40 IFAB biogenic COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 3482444 ATLDGKPJXKYJHJ-RMKNXTFCSA-N 430.526 2.985 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 4897535 GOJONUUAPREILR-OAQYLSRUSA-N 426.492 2.558 0 40 IFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCO2 8860735 YZKAPQGQJHTUJW-INIZCTEOSA-N 425.441 2.672 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 8940014 JLVRPPDFDPHHFA-CPJSRVTESA-N 449.507 2.761 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1 9031537 JQIUBGNAAVPSKV-UVLALUNPSA-N 448.585 2.942 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3c(F)cccc3Cl)C2)cc1 9382130 MELADLJXLPKILN-MRXNPFEDSA-N 445.925 2.961 0 40 IFAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cccs1 9477440 YBLGSRPLBMOTJO-UHFFFAOYSA-N 432.567 2.733 0 40 IFAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 9601616 AKEOPFBKIDXORF-UHFFFAOYSA-N 433.549 2.795 0 40 IFAB CC(C)c1ccc(-c2noc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)n2)cc1 9609002 WYROLXXDJCEHJW-UHFFFAOYSA-N 428.514 2.855 0 40 IFAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 9619247 PISYXHYUTGDHDW-CQSZACIVSA-N 429.970 2.549 0 40 IFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc2c(cc1Br)OCCO2 9672644 DFVPEXNQWFGWLX-NSHDSACASA-N 439.331 2.819 0 40 IFAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccn2)CC1 9713658 PUUCXSFJMOEGBY-UHFFFAOYSA-N 431.521 2.869 0 40 IFAB O=C(NCCC1=CCCCC1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9743206 MNUJYYGNNOMQQP-FQEVSTJZSA-N 447.601 2.743 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)C1=O 9963375 VELYZIGGZRMXRC-UHFFFAOYSA-N 439.512 2.990 0 40 IFAB COc1ccc([C@H]2SCC(=O)N2[C@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c(OC)c1 11667045 VZOZFTFPRORIHG-JEWAVWJGSA-N 427.526 2.929 0 40 IFAB O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031349 YPZQKGZKPLBIEU-AWEZNQCLSA-N 431.894 2.692 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)Nc1nc2c(s1)CCCC2 12085604 XGNWJKSHUSTBLS-QFIPXVFZSA-N 439.541 2.525 0 40 IFAB Cc1nn(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2ccccc2F)c(C)c1C 12232063 UPSQOQPZEKHNDF-UHFFFAOYSA-N 438.507 2.851 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(Cl)cc2)c2c(C(N)=O)nc(-c3ccsc3)nc21 12236939 XRFLGOVFWBUUJH-UHFFFAOYSA-N 441.900 2.977 0 40 IFAB Cc1ccccc1OC[C@@H](O)CNC1CCC(NC[C@H](O)COc2ccccc2C)CC1 12540241 ADCIBYAOLKOWOK-MXXWWZHRSA-N 442.600 2.973 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@@H](C)O1 12777356 WJGARZZDBHZUTD-IAGOWNOFSA-N 441.553 2.938 0 40 IFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cccc(I)c1 12821103 XEVOIFVMEPLHLB-UHFFFAOYSA-N 439.184 2.886 0 40 IFAB CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 13002306 LQFCDQZOBNCBNN-CQSZACIVSA-N 425.776 2.738 0 40 IFAB O=C(NCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 13647484 QATLHPGPXZZZLD-NRFANRHFSA-N 427.460 2.920 0 40 IFAB Cc1ccc(C)c(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1 14185906 KNLUYUWKZHSPLR-UHFFFAOYSA-N 442.541 2.506 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 14245634 LDIOZBOCTWOVPJ-QGZVFWFLSA-N 430.501 2.569 0 40 IFAB Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c(Cl)c1 15047690 QHSDFOGUEQCGAK-FQEVSTJZSA-N 429.904 2.713 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc3c(c2)OCO3)cc1 15391097 VGFDYBOAWJOFMH-MRXNPFEDSA-N 432.498 2.996 0 40 IFAB Cc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)CC1 15479983 FUSYPKKLHBJMFJ-UHFFFAOYSA-N 448.489 2.627 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3C[C@H](C)O[C@H](C)C3)CC1)N2 19128682 LKHLAJQRVURXDO-CIRFHOKZSA-N 425.524 2.530 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)cc1 19211097 VNUOJBZMNQIQBW-UHFFFAOYSA-N 439.537 2.802 0 40 IFAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23907537 FWCRMYBDHCONNF-UHFFFAOYSA-N 437.813 2.692 0 40 IFAB CSc1cccc(NC(=O)CN2CCC(NS(=O)(=O)c3cccs3)CC2)c1 24758576 OAXBYBCFFLVQGW-UHFFFAOYSA-N 425.601 2.851 0 40 IFAB COc1cc(CN(C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F 32862989 UPWRTUCWIWGCAS-GFCCVEGCSA-N 443.472 2.847 0 40 IFAB C[C@@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 35269336 IRIUYGKIDWGNPF-IBGZPJMESA-N 429.586 2.937 0 40 IFAB Cc1cccc(Cl)c1NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O 40478235 WEYMAWJOSANUDK-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc(F)c(Cl)c1 45970708 XNUGZSOXLPZQEN-UHFFFAOYSA-N 439.925 2.837 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccccc1OCCn1ccnc1 48263170 INXILUANHCUJDY-UHFFFAOYSA-N 441.538 2.903 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 72328030 FCLHNPCGOMPNIA-VUMVONDWSA-N 427.545 2.597 0 40 IFAB O=c1cc([C@@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2cccnc2)[nH]1 72393134 NHORCNFEONJTEK-HXUWFJFHSA-N 431.544 2.992 0 40 IFAB Cn1cccc1-c1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)[nH]n1 72393669 XKYAMOBRBBAJTI-LBPRGKRZSA-N 444.421 2.892 0 40 IFAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 89544374 AHLNKDMDVAYJLB-XMMPIXPASA-N 431.496 2.598 0 40 IFAB CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cnc(Cl)c(Br)c2)c1 95971811 KAKZHGZBPXOESH-UHFFFAOYSA-N 434.699 2.932 0 40 IFAB Cn1ccc(NS(=O)(=O)c2ccc(F)c3ncc(I)cc23)n1 95982502 RIZGBIWVBXMXPW-UHFFFAOYSA-N 432.218 2.513 0 40 IFAB CC(C)CCN1[C@H]2CCN(Cc3cnn(C)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O 107184640 KXRVNKVIJBVJHY-PMACEKPBSA-N 432.590 2.883 0 40 IFAB C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccccc1F)S(C)(=O)=O 220323417 VTTYNLWHHONGSF-AWEZNQCLSA-N 432.477 2.689 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O 220336672 VYQFFHZIKAELTG-INIZCTEOSA-N 447.557 2.935 0 40 IFAB CSc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1NC(C)=O 225429880 PORQJEQTIFSGAC-UHFFFAOYSA-N 433.555 2.972 0 40 IFAB O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 252537713 MBZSIVMTRHOQGK-KRWDZBQOSA-N 427.526 2.653 0 40 IFAB Cc1cc(N2CCC(O)(CN(C)C(=O)CC(C)(C)CC(=O)O)CC2)c2cnccc2n1 257340477 ZGHWNRXUQLPDQX-UHFFFAOYSA-N 428.533 2.619 0 40 IFAB Cc1nc(CN2CCC[C@]3(CN(Cc4ccccn4)C[C@H]3c3ccnn3C)C2=O)cs1 306138683 SEEMVGMZUBLGJK-NZQKXSOJSA-N 436.585 2.988 0 40 IFAB CN(C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(N2CCOCC2)nc1 543513216 QGCGYIRYNPMLJK-UHFFFAOYSA-N 438.509 2.976 0 40 IFAB CC(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2 643575902 QNSUVBNISYTMTA-QFIPXVFZSA-N 440.540 2.553 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3nc2Cl)OCCO4)cc1 3300012 GYTPGODFLSBUJH-UHFFFAOYSA-N 434.861 2.814 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCCc2ccccc21 3433910 TVIVWSPHSYVWIR-NRFANRHFSA-N 442.537 2.822 0 40 IFAB S=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 5433871 WTSLZLORLDPSOS-RNIPGJKVSA-N 445.614 2.949 0 40 IFAB biogenic,in-vitro COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 8729505 MPGQIDFSCUQTRB-UHFFFAOYSA-N 441.303 2.776 0 40 IFAB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 8920027 SSQZNABFZGCEBZ-ORAYPTAESA-N 449.481 2.728 0 40 IFAB COc1ccc([C@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c(OC)c1 8943978 JSRJBOIAMWQLBB-LJQANCHMSA-N 443.569 2.887 0 40 IFAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCCC3)[nH]c2=O)cc1 9518173 YTGCGXGRCGWYMX-UHFFFAOYSA-N 445.545 2.544 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccc(F)cc1F 9660716 WMLROOIRKHITDF-UHFFFAOYSA-N 440.381 2.663 0 40 IFAB O=C(NCc1ccccn1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9975325 BEKYGSCYSGSYLW-HXUWFJFHSA-N 429.929 2.941 0 40 IFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1Cl 12030576 UOWUUHORRWXFBT-OAHLLOKOSA-N 443.930 2.562 0 40 IFAB CCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccc(F)cc4)cnc32)cc1 12071754 DXYFESGEJRXTBJ-UHFFFAOYSA-N 449.486 2.538 0 40 IFAB Cc1nc2sc3c(c2c(=O)n1NC(=O)Cn1cnc2ccccc2c1=O)CCCCC3 12680595 FHAIXZRSLKVQQU-UHFFFAOYSA-N 435.509 2.516 0 40 IFAB CCc1cc2c(=O)n(CC(=O)N3CCN(c4ccc(C(C)=O)cc4F)CC3)cnc2s1 12793751 OMMGQAVOTKQFIG-UHFFFAOYSA-N 442.516 2.711 0 40 IFAB CCOC(=O)C1=C(CN(C)CC(=O)Nc2ccc(F)cc2)NC(=O)N[C@H]1c1cccs1 13038100 LCYICQQMMMLGPQ-IBGZPJMESA-N 446.504 2.629 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)N2CCCCC2)cc1 13112705 KZGOWISMUYBLAA-JOCHJYFZSA-N 445.585 2.903 0 40 IFAB CCN(c1ccc(OCC(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccccc1 13584901 MQTZILRYJMXBBU-UHFFFAOYSA-N 425.510 2.992 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 14198815 PATFFIQLWQSKEV-NRFANRHFSA-N 444.553 2.689 0 40 IFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)c2N)cc1 19213033 OCJYFMLGMHFRKG-SFHVURJKSA-N 437.544 2.587 0 40 IFAB CCCN1C[C@@H](C(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)CC1=O 19708355 YBZWTYVKVYTKAU-IBGZPJMESA-N 426.561 2.719 0 40 IFAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)N2C(=O)Cn2nnc3ccccc32)N1 19713877 YRJAMVBDEPTTSU-KAGYGMCKSA-N 435.503 2.841 0 40 IFAB Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)[nH]c2c1 19765661 TVHWJSGFQRGVBA-HXUWFJFHSA-N 448.527 2.810 0 40 IFAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1)c1ccc(C)cc1 20035557 RWURHGVHTNINIO-HXUWFJFHSA-N 432.542 2.906 0 40 IFAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@@H]1C 20467119 RIDTUMWMYWONTE-FBHOASSCSA-N 445.604 2.679 0 40 IFAB biogenic,in-vitro CS(=O)(=O)Cc1ccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 21532693 JHYGSRRPFGLMAL-UHFFFAOYSA-N 441.475 2.998 0 40 IFAB Cn1c(CNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)nc2ccccc21 25402320 VMJFKWUDOGDXBT-OAHLLOKOSA-N 430.306 2.752 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)s1 26986625 UDMITQLZFNSOPP-UHFFFAOYSA-N 430.935 2.907 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl 32074428 JSVUIPDDWUUMSU-HCKVZZMMSA-N 436.361 2.833 0 40 IFAB CCOC(=O)C1=C(Cn2nc(-c3ccc(F)cc3)oc2=O)NC(=O)N[C@H]1c1ccccc1 32823767 UWZKFLQKHSILLE-SFHVURJKSA-N 438.415 2.514 0 40 IFAB CCOc1c(Cl)cc(C(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cc1OC 32833950 NJGJMMIQQCGYNF-LLVKDONJSA-N 426.844 2.941 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 32858306 NBRCXLJOUMZYKA-VWLOTQADSA-N 433.508 2.930 0 40 IFAB CCOC(=O)C1=C(CN2CCO[C@H](c3ccc(F)cc3)C2)NC(=O)N[C@H]1c1ccco1 36390302 NJFLXUQZVZHYAB-ICSRJNTNSA-N 429.448 2.663 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 39996266 YZIHPHTVRPWWAP-QWHCGFSZSA-N 444.431 2.943 0 40 IFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H]1c1nnc3n1CCCCC3)C2=O 48262946 KHEHDZUXPRXRFA-BNGSBABLSA-N 442.564 2.559 0 40 IFAB Cc1cc(C)n2ncc(C(=O)N3CCC(c4nc(C)c(C)c(N5CCOCC5)n4)CC3)c2n1 72337171 RYBHLLMWQCKESG-UHFFFAOYSA-N 449.559 2.609 0 40 IFAB CCOc1cc(C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc(OCC)c1OCC 84804973 BGGVDQLEJNOFDZ-UHFFFAOYSA-N 427.501 2.876 0 40 IFAB CC[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)Cc1ccccc1 96251302 OMMPLCGFEOIBSL-FQEVSTJZSA-N 443.613 2.930 0 40 IFAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 100563790 AXBPVHAAXATKIW-AEFFLSMTSA-N 427.844 2.646 0 40 IFAB Cc1ncn(CC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c(=O)c1C 217389693 HYIPPUKTQMJJAC-UHFFFAOYSA-N 442.535 2.534 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220184330 MXAYQOWMDRARGJ-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223094011 FUWNSJOSXRCZDM-UHFFFAOYSA-N 437.949 2.879 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 225809919 LHTUMHPUPHLMNC-OAHLLOKOSA-N 431.514 2.615 0 40 IFAB Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(CC(C)C)[C@H]3C(=O)NC(C)(C)C 245230477 SMHKVONVNIZTLM-JDWVLIONSA-N 439.556 2.655 0 40 IFAB Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc(=O)n(C)c1=O 257312712 UPFSYIJNVFSWJZ-QGZVFWFLSA-N 442.903 2.684 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC 408627459 ZVBHNGBABCXDMZ-NSHDSACASA-N 428.894 2.671 0 40 IFAB CCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 409387748 JRPFSOXLHBNBOH-UHFFFAOYSA-N 442.578 2.570 0 40 IFAB C[C@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1cccc(S(N)(=O)=O)c1 503888825 CAKSEHBTEWGXQU-ZDUSSCGKSA-N 439.484 2.926 0 40 IFAB O=C(C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCCn1ccnc1 524729924 OLPZCFZKMKIMLP-MRXNPFEDSA-N 447.447 2.762 0 40 IFAB biogenic CCCCN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc5cccc(OC)c5o4)CC3)[C@H]2C1 585106308 QNTDIRAFWUCSFC-MSOLQXFVSA-N 425.529 2.894 0 40 IFAB CCCc1nnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCN(C(C)=O)CC2)s1 1548348540 OIEXKTOENIKVJX-UHFFFAOYSA-N 441.557 2.856 0 40 IFAB C=CC(=O)N(C)CC(=O)Nc1cc(Br)cc(I)c1C 1648336376 UBAUZPQYBGTICD-UHFFFAOYSA-N 437.075 2.945 0 40 IFAB Cc1cc(OCC2CCN(C(=O)C[C@@H]3CSc4nc(C)c(C)c(=O)n43)CC2)ccn1 1775968046 LHRJOZJNBZHSPN-GOSISDBHSA-N 428.558 2.918 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1 2433714 ZSEGZJLUJNPPPJ-PDFGSZSQSA-N 429.476 2.629 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NCc1ccccc1Cl 3319438 IVLBBMHYRSTQFA-UHFFFAOYSA-N 436.917 2.598 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC 4035536 UOYFXUNXBLJGLK-UHFFFAOYSA-N 430.526 2.524 0 40 IFAB COCCn1c(C)cc(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1C 4327541 QAUQXXRVXYHXLM-UHFFFAOYSA-N 430.545 2.810 0 40 IFAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 9315993 BMAZJNTWKPKPNC-FQEVSTJZSA-N 442.537 2.586 0 40 IFAB O=C1CN(C(=O)CSc2nnc(Nc3cccc(F)c3)s2)C2(CCCCC2)C(=O)N1 9365843 GGNWZVSGASMBHN-UHFFFAOYSA-N 449.533 2.701 0 40 IFAB COc1ccccc1CNC(=O)CCn1c(=O)c2sccc2n(Cc2ccccc2)c1=O 9410350 AJRSYXBGFABXMG-UHFFFAOYSA-N 449.532 2.988 0 40 IFAB Cc1ccccc1N1C(=O)c2ccc(C(=O)NN3C(=O)c4ccccc4C3=O)cc2C1=O 9440061 OQMWXDPPAKKZID-UHFFFAOYSA-N 425.400 2.737 0 40 IFAB O=C(COC(=O)c1ccccc1SCC(=O)NCc1ccco1)NCc1ccco1 9441545 SACWSAMSJLETPY-UHFFFAOYSA-N 428.466 2.754 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OC 9856721 VIBCTXVOIMVBOU-NRFANRHFSA-N 444.484 2.582 0 40 IFAB biogenic Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 10112805 BQIVIUOUOFUNSK-OAHLLOKOSA-N 431.514 2.528 0 40 IFAB CCOc1ccc2nc(NC(=O)[C@H](C)N3C(=O)c4ccccc4S3(=O)=O)sc2c1 10188069 XDBGYLBFUSLWMW-NSHDSACASA-N 431.495 2.867 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029812 VTRCMOCJHOOMBP-MRXNPFEDSA-N 447.456 2.919 0 40 IFAB O=C(CSc1nc(CC(=O)N2CCN(c3ncccn3)CC2)cs1)c1ccccc1 12444175 SMXYBZAOCMQUKV-UHFFFAOYSA-N 439.566 2.799 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 12543767 IOLTUNCHWCPUTH-HXUWFJFHSA-N 435.977 2.992 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC(=O)NCc3ccco3)c2)c1 12548679 ORFIYKHPSHCMCJ-UHFFFAOYSA-N 441.509 2.743 0 40 IFAB COc1ccc(CCN2CC(=O)N3CCc4c([nH]c5ccc(OC)cc45)[C@@]3(C)C2=O)cc1 12662330 PIFBWSVQTGRAHN-VWLOTQADSA-N 433.508 2.870 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 12888697 DTQWADABGGLGMS-UHFFFAOYSA-N 433.505 2.629 0 40 IFAB CCc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 13062362 CRHBCZAPEQJZAZ-UHFFFAOYSA-N 444.553 2.556 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc21 13128178 MTJFYSOHLJPION-UHFFFAOYSA-N 444.495 2.947 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 13165329 JMDIKTVMRYULLA-QFIPXVFZSA-N 427.570 2.665 0 40 IFAB COc1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O 13728440 ALHQOFJOQVBCSN-GCJKJVERSA-N 426.494 2.645 0 40 IFAB COc1ccccc1[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)N1CCCC1 14227733 KMHPVSJZLINTEZ-HXUWFJFHSA-N 431.558 2.512 0 40 IFAB COc1c(Br)c(C[C@@H]2CC(C(=O)O)=NO2)c(Br)c2c1OCO2 15082618 GHFICZQNYWFXJI-RXMQYKEDSA-N 437.040 2.721 0 40 IFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1 16755959 ZIQZBKOWQLCNBU-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 18933704 BMIVQMBFWSWVEZ-UHFFFAOYSA-N 442.516 2.871 0 40 IFAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(=O)C2CCCC2)C3)on1 19119896 LIYVFMTVLGNVJU-GOSISDBHSA-N 439.516 2.921 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19689943 SUTXPMUKYYBOHD-KRWDZBQOSA-N 430.509 2.608 0 40 IFAB COc1ccccc1NC(=O)[C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)Cc2cn(C)nc21 19701598 ZCBYBISMIOWQOP-QGZVFWFLSA-N 444.495 2.763 0 40 IFAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CCN(C)C2 19708833 ZEEKQCPVVCBCPT-KRWDZBQOSA-N 429.590 2.691 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)c3ccc(COC)cc3)C2)nc2c1CN(C(C)=O)CC2 19710516 RTWFSJQAPIMJQC-IBGZPJMESA-N 437.544 2.589 0 40 IFAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1ncc(C(=O)N2CCOCC2)c(C)n1 19755695 VKNCWBHYQIORDE-HXUWFJFHSA-N 438.528 2.562 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 20453531 TZTNZWGNURYFAQ-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2c(F)cccc2F)c1 20749274 FZTJVMSZMUEYKA-UHFFFAOYSA-N 426.441 2.791 0 40 IFAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1ccc(OC)c(OC)c1 22506218 ZCZVWDXIFJHQBY-UHFFFAOYSA-N 435.502 2.574 0 40 IFAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4csc(C)n4)CC3)n2)cc1 24147908 QAEVSYBIROBBKC-VMPITWQZSA-N 425.514 2.868 0 40 IFAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24177553 UBBPORSLYSFJCD-JOCHJYFZSA-N 438.524 2.974 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 24772133 YUPPHXAFRICBKU-BTYIYWSLSA-N 436.443 2.547 0 40 IFAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 24778085 PRWLRAUWXZKUFT-UHFFFAOYSA-N 446.433 2.704 0 40 IFAB O=C(NCCc1nnc2ccccn12)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 26304017 MBLSIJHGGGQZDL-UHFFFAOYSA-N 428.448 2.704 0 40 IFAB Cc1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1NC(=O)c1ccccc1F 32164950 SXKIUMFKDMWZTN-QGZVFWFLSA-N 447.532 2.930 0 40 IFAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O 32830373 MSYVQNQRGCRWNO-MWTRTKDXSA-N 439.468 2.572 0 40 IFAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 32910577 SEPUTKUTLPCDQI-AEFFLSMTSA-N 448.545 2.578 0 40 IFAB CC(C)(C)OC(=O)NCCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 48232193 ADMFLWOLMAONQL-UHFFFAOYSA-N 429.439 2.905 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)cc1OC 49008774 HRJXECIUCUUCEC-UHFFFAOYSA-N 437.481 2.698 0 40 IFAB Cc1ccc(-c2ccc3nn(CC(=O)N4CCN(c5ccccc5)CC4)c(=O)n3n2)cc1C 49399303 XVJLZFAYECJYRG-UHFFFAOYSA-N 442.523 2.524 0 40 IFAB COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)ccc1O 57531368 WCMOOBPRZMZNNB-MPGHIAIKSA-N 426.416 2.670 0 40 IFAB COc1ccc(-n2ncc(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c2C(F)(F)F)nn1 59019584 MHFUAFOSNUAXBP-UHFFFAOYSA-N 448.283 2.649 0 40 IFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)N2CCN(c3ccccc3F)CC2)cc1 67198626 GSZMZXLMEZZNRK-UHFFFAOYSA-N 436.487 2.715 0 40 IFAB O=C1NCCN(C(=O)CCn2ncc3c2CCCC3)[C@H]1Cc1cccc(-c2cccnc2)c1 72351722 FASXNNVYGRZCNR-DEOSSOPVSA-N 443.551 2.784 0 40 IFAB COC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 72369636 UGZOMEUVIUXDKI-YJBOKZPZSA-N 443.592 2.792 0 40 IFAB COc1ccc(CCNC(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1 77196308 IEBMNXWNRCUXKH-UHFFFAOYSA-N 438.513 2.504 0 40 IFAB C[C@H](O)CN1CCC(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 89895898 FPRXXWSABVUMEK-RXVVDRJESA-N 443.613 2.640 0 40 IFAB O=S(=O)(Cc1noc2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 96005699 BLJKLHZDYCTYNB-UHFFFAOYSA-N 435.527 2.944 0 40 IFAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 100146508 UZOQQYAEEPJMRW-BGBCCIMSSA-N 440.908 2.512 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Br)cc2)c1 100170869 NEQYFFVJHRIPRS-OTWHNJEPSA-N 442.313 2.993 0 40 IFAB CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1)S(=O)(=O)c1ccc(F)cc1 226060114 ABQRRQZPRUHWQO-UHFFFAOYSA-N 444.488 2.534 0 40 IFAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@H]2CCCCO2)C[C@@H](C)O1 248329891 DVBXNQRJSBKGKW-MLYOOKFZSA-N 446.592 2.806 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)c(C)c2)cc1 408677839 RWQGJRQXPNWLNL-UHFFFAOYSA-N 441.509 2.895 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 408713481 BHCFGMFQXXCIJF-INIZCTEOSA-N 436.505 2.560 0 40 IFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OC)C1=O 409211598 LXZSPOFCAOGHLD-ZROIWOOFSA-N 443.319 2.647 0 40 IFAB C[C@H](NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C)c1ccccc1 409341386 AILSBULVFXYAJL-AWEZNQCLSA-N 427.505 2.854 0 40 IFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 575609102 JAIKHMCHRCNABI-QGZVFWFLSA-N 437.949 2.925 0 40 IFAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)c1 585270464 KQJFJOAFTVKSKU-NRFANRHFSA-N 442.556 2.958 0 40 IFAB CCOC(=O)N1CCC(O)(CN2[C@@H](c3ccccc3)C[C@@]3(C)[C@@H](O)[C@H](O)CCC[C@@H]23)CC1 585284063 RCFZRHCTANBONE-SWAMLEPWSA-N 446.588 2.697 0 40 IFAB Cn1cc(CCNC(=O)C[C@@H]2NC(=O)N(c3cc(F)c(F)c(F)c3)C2=O)c2ccccc21 604419318 RRXWDAGJIVHBAC-KRWDZBQOSA-N 444.413 2.769 0 40 IFAB O=C(Nc1ccc2scnc2c1)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 679802110 LESCQAVTMGEJOW-MRXNPFEDSA-N 444.538 2.668 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 791664 SSVBXGQFZIMTLV-IBGZPJMESA-N 446.569 2.772 0 40 IFAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3C=NN2[C@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN21 2212419 UEGOQIIYBYDIQE-LRSLUSHPSA-N 432.480 2.645 0 40 IFAB O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 2618448 MUJLWMZMCFRGGJ-UHFFFAOYSA-N 433.511 2.942 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc(C)on3)cc2)cc1 3293320 JENJUGAPZIICFI-UHFFFAOYSA-N 431.470 2.834 0 40 IFAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 3409676 VZBSWSPUZNOIAA-UHFFFAOYSA-N 432.498 2.506 0 40 IFAB NC(=O)c1cc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)cc(C(N)=O)c1 3430875 XOGAYEMQKOOTSW-UHFFFAOYSA-N 431.857 2.548 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3CN3CCCC3)ccc21 8342109 WVHSQKODCRQBBR-UHFFFAOYSA-N 427.570 2.925 0 40 IFAB NC(=O)CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O 8619425 USIGHDDPNVJJBB-UHFFFAOYSA-N 430.486 2.569 0 40 IFAB N=C(O)CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 8822826 NQHNKYUSJAHABJ-UHFFFAOYSA-N 441.560 2.592 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(F)cc1 8934399 VRSXHTMMEJTFKP-GTENMVSRSA-N 426.444 2.686 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1OC 9067959 VDRYPQLZODLUDI-UHFFFAOYSA-N 443.519 2.852 0 40 IFAB CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)CC1 9109214 TVZBMYDJHZPXMZ-COPCDDAFSA-N 444.620 2.617 0 40 IFAB biogenic CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1C(=O)N1CCCCC1 9126515 MYJKVPRTJOQBGF-NRFANRHFSA-N 441.553 2.638 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)CC1 9190935 WCPPLTSIXDVQGM-QGZVFWFLSA-N 433.574 2.837 0 40 IFAB COc1cc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 9195108 DFKZIACOASAKCB-AWEZNQCLSA-N 425.528 2.603 0 40 IFAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1Cc1cccs1 9223637 NDWPJIQQLSNARE-UHFFFAOYSA-N 433.555 2.510 0 40 IFAB CCOc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9281273 PMRNNBNZDBGXFV-UHFFFAOYSA-N 433.443 2.880 0 40 IFAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 9341103 NPTSWHJFWNJQBM-OAHLLOKOSA-N 444.538 2.933 0 40 IFAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 9433910 MAPRJOYLQLCWPI-QGZVFWFLSA-N 437.573 2.842 0 40 IFAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3)[nH]c2=O)cc1 9518166 DOKQTPJIDVRUTQ-UHFFFAOYSA-N 439.497 2.734 0 40 IFAB Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 9569816 CVUCZWWRBUYSAA-UHFFFAOYSA-N 435.977 2.839 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c2)cc1 9703470 DBZHGXORJCRWLK-UHFFFAOYSA-N 445.522 2.696 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2)c1 9983875 CMRUKAHJMACAQC-UHFFFAOYSA-N 435.521 2.945 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3cccc(Cl)c3)CC2)c1 11796644 GZBLQEGAYGGATK-UHFFFAOYSA-N 435.977 2.920 0 40 IFAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@@H]1CCS(=O)(=O)C1 12409865 GYPXKFNWQAJZEW-QGZVFWFLSA-N 441.505 2.705 0 40 IFAB biogenic O=C1CN(C(=O)CSc2nnc(Nc3ccccc3)s2)C2(CCCCC2)C(=O)N1 12511454 OTBGUMYCRDJLOP-UHFFFAOYSA-N 431.543 2.562 0 40 IFAB Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cc1 12769507 ANSCRKBDIUZMNB-CQSZACIVSA-N 442.459 2.713 0 40 IFAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 16216555 IBUZORGORFACFM-UHFFFAOYSA-N 432.542 2.608 0 40 IFAB COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC 16751295 IGTODYOYRCZXAS-LJQANCHMSA-N 439.464 2.973 0 40 IFAB COC(=O)c1c2c(nc3c1c(-c1ccc(OC)cc1)nn3[C@@H]1CCS(=O)(=O)C1)CCC2 16850671 AOGQNEHVGNYOPN-CQSZACIVSA-N 441.509 2.742 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337534 KAVKSDDAJXJMAH-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB COc1ccccc1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 19497309 HBWMBSHLITYODN-IAGOWNOFSA-N 440.544 2.616 0 40 IFAB COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 19593941 XQRZJXSPBRZVBM-OAQYLSRUSA-N 426.952 2.880 0 40 IFAB COc1cc(CN2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O 19689293 CIPUYNWMOHDCJV-IBGZPJMESA-N 435.528 2.734 0 40 IFAB Cc1nc(C2CCN(C(=O)c3nccn3C)CC2)ncc1C(=O)NCc1ccc(F)cc1 19765570 VMKZVHOLAPWBBT-UHFFFAOYSA-N 436.491 2.607 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 19809329 ZZHBAQQDJNPIKC-LJQANCHMSA-N 442.899 2.742 0 40 IFAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 19823753 BUMRCKIOBNAIKC-UHFFFAOYSA-N 430.618 2.954 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928963 QMHVCKKLCWOWOC-BJKOFHAPSA-N 448.571 2.768 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccc(OC)cc2)c2sc3nc(C)nn3c2O)CC1 23157304 RXWFWWMUXHWKKQ-INIZCTEOSA-N 431.518 2.677 0 40 IFAB COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)ccc1O 27988584 QCKNOIILUDZJLU-DAYGRLMNSA-N 428.338 2.644 0 40 IFAB CCOC(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 32905382 KELATWOQHXCUBP-UHFFFAOYSA-N 437.543 2.900 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 32927736 OEBDUDMKBDQFCB-UHFFFAOYSA-N 435.477 2.587 0 40 IFAB C[C@@H]1NC(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)=NN(c2ccccc2)C1=O 32962685 BPFOEOBFOSVBRR-ZDUSSCGKSA-N 426.427 2.728 0 40 IFAB Cc1ccc(-c2cc(NC(=O)CN3CCN(C(=O)Cc4nc(C)cs4)CC3)on2)cc1 36386054 LDINVZBNGBYFHC-UHFFFAOYSA-N 439.541 2.740 0 40 IFAB O=C(NCCOc1ccc(F)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 36708453 BQFVTASZGHWNQL-OAHLLOKOSA-N 449.529 2.919 0 40 IFAB O=C(COC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1)c1ccccc1Cl 40556198 VVIBITMRVQYJOR-INIZCTEOSA-N 425.915 2.830 0 40 IFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC 44900883 RBXRAAQRWPLKDE-CQSZACIVSA-N 434.514 2.879 0 40 IFAB O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 48299994 GEEAPVWWJQJFOE-OAHLLOKOSA-N 431.422 2.609 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 49694335 FIADHEMMKOWZGB-RQXXJAGISA-N 425.847 2.910 0 40 IFAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)O)c(F)c1 58173793 QSDDHGNDWMCIIY-UHFFFAOYSA-N 438.458 2.849 0 40 IFAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 59338636 FRNWPTRXNLTCSJ-LVBDUCALSA-N 426.469 2.840 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccco3)Oc3cc(C)ccc32)cc1 64986402 JBMIBYHCCZGKKG-NRFANRHFSA-N 442.493 2.869 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccco3)Oc3cc(C)ccc32)cc1 64986403 JBMIBYHCCZGKKG-OAQYLSRUSA-N 442.493 2.869 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cnccn2)CCO1 72389179 AIHYUXXRTBFUJC-VWLOTQADSA-N 445.523 2.517 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)n1nc(-n2cccn2)ccc1=O 206900194 BADAEKIVYHXNIZ-INIZCTEOSA-N 425.452 2.943 0 40 IFAB COc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1OC 219188173 ZLLLSQMBGCOHHW-UHFFFAOYSA-N 448.497 2.870 0 40 IFAB CCOc1ccc(N(CCCC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 222623009 MHSJVFUUXWOPMY-UHFFFAOYSA-N 433.574 2.884 0 40 IFAB CCSc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)s1 224046112 PALUDFDRYLKGBO-UHFFFAOYSA-N 444.560 2.564 0 40 IFAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 224401660 RPICIHGJIZHUAP-NRFANRHFSA-N 446.569 2.916 0 40 IFAB Cc1nc(/C=C2/SCCN2C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cs1 225257775 UOUHUXRUNSATLY-RQZCQDPDSA-N 427.548 2.785 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc23)cc1 225697904 IUZZOWVGGYFMLH-QGZVFWFLSA-N 430.507 2.567 0 40 IFAB O=C(NCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)c1cncc(O)c1 257342706 ZPUNPXPHBWPJGS-FQEVSTJZSA-N 438.459 2.989 0 40 IFAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 260895132 IPESBJSXDFKTAL-GOSISDBHSA-N 431.558 2.933 0 40 IFAB CC[C@@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408591276 JJWQWEFKMBBTSF-TZZQWBKVSA-N 427.251 2.612 0 40 IFAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670251 WZFHPDYEQXSHHD-YJKZWKBDSA-N 444.915 2.962 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(Br)cc1 408921115 SOCCUAZZRUTYMW-UHFFFAOYSA-N 447.376 2.858 0 40 IFAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CO[C@@H](CN(C)[C@H]1CC[C@H](O)CC1)C2 585104184 MIKLMFKJMZNMBH-NJDAHSKKSA-N 436.618 2.790 0 40 IFAB Cc1cc(OCC2(O)CCN(CC(=O)NCc3ccc(CO)cc3)CC2)cc(C)c1Cl 585273323 ZQVDHCYUZJHMOM-UHFFFAOYSA-N 446.975 2.971 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(Cc3ccccc3)CC2)C1 585283647 GHULUJWFEAGJRO-AHKZPQOWSA-N 436.596 2.898 0 40 IFAB O=C(O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]12 669372093 IXPIMYKJJBYZTR-RFVSGWPVSA-N 441.505 2.755 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 3259375 GWNDWAOMCYZFAN-UHFFFAOYSA-N 426.256 2.699 0 40 IFAB Cc1ccccc1-n1nnnc1SCC(=O)NC(=O)c1ccccc1Br 3457412 ACTQPQBFHHFXBN-UHFFFAOYSA-N 432.303 2.782 0 40 IFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CCCOC 3524566 FRTCPWWGPUGIPJ-GFCCVEGCSA-N 425.942 2.961 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 9190992 AOGGMSFCWJXGDB-UHFFFAOYSA-N 433.530 2.801 0 40 IFAB Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 9253648 UDLZHRQVPITQPE-UHFFFAOYSA-N 446.554 2.599 0 40 IFAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 9305285 DJILSXFGDYLCKC-MRXNPFEDSA-N 431.514 2.693 0 40 IFAB C[C@@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCCC2)n1-3 9307352 YLUCLMIIVNAATE-LLVKDONJSA-N 427.559 2.729 0 40 IFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 9489329 QHBCFJXRIWICHP-NSHDSACASA-N 426.878 2.871 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)cc1 9634803 AOTGCMVBAPZUFP-UHFFFAOYSA-N 449.536 2.904 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9637357 GDNGKJGGHNUPEN-IBGZPJMESA-N 431.489 2.744 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC2CCCCCC2)cc1 9745141 CCGBFMKABAZRBJ-FQEVSTJZSA-N 449.617 2.884 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 9866500 VPBKJZOIPUCKAE-ZLOXQWCVSA-N 435.436 2.806 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cc(Br)ccc2O)cc1 10746281 PVDJFINILVOKQV-UHFFFAOYSA-N 441.347 2.913 0 40 IFAB C[C@@H](SCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1ccc(F)c(F)c1 11097770 FWIWRQIHHBENNT-LLVKDONJSA-N 426.466 2.870 0 40 IFAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1-n1cccc1 11674258 DMBPPDFPSZNSAM-UHFFFAOYSA-N 441.509 2.765 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 11693239 WWVWTVRUBPOZNF-UHFFFAOYSA-N 447.494 2.611 0 40 IFAB COC(=O)c1ccc2c(=O)n(CCC(=O)NCc3ccccc3OC)c(=S)[nH]c2c1 12416129 ZEJGXZIDBMNPNE-UHFFFAOYSA-N 427.482 2.561 0 40 IFAB CCNC(=O)NC(=O)[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 12512870 HWOBHGZUKXWYMO-SFHVURJKSA-N 448.570 2.545 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)cc1F 12777205 SEJXFTYJDHXGAC-ZDUSSCGKSA-N 431.493 2.904 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c1 12802151 NMGPJBIDISNBJM-JOCHJYFZSA-N 445.560 2.769 0 40 IFAB O=C(c1ccco1)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1 13150686 FREJMDIEGHKGAH-AWEZNQCLSA-N 438.875 2.829 0 40 IFAB COc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccccc2)cc1Cl 13669771 RXZRYCWKZQGJFR-UHFFFAOYSA-N 439.965 2.612 0 40 IFAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)NCc1ccc2c(c1)OCO2 14015928 NTXPGLMOAWIJKU-NSHDSACASA-N 431.905 2.838 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 14117815 KLJOETQJBDXRLM-DEOSSOPVSA-N 434.496 2.501 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 15419933 YTMXRRFFXCUQBL-UHFFFAOYSA-N 432.498 2.521 0 40 IFAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 17097928 RFNXHYYIZPAMQC-LJQANCHMSA-N 432.480 2.563 0 40 IFAB COc1cc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 19631694 YBIGHDUGYKSZHF-FNORWQNLSA-N 440.496 2.799 0 40 IFAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19697610 CXIVMYQHLOPFHT-INIZCTEOSA-N 448.570 2.535 0 40 IFAB Cc1nc([C@H]2CCN(CC(=O)n3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738993 SKKHMDDHNGURSM-IBGZPJMESA-N 430.512 2.591 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccc(F)cc1 19744340 YEWVUOONYWYCAZ-FQEVSTJZSA-N 448.502 2.767 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC 19868755 RCSOCYINFYBETK-INIZCTEOSA-N 438.571 2.525 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1 19897851 NVWDQRQDZRPILY-LJQANCHMSA-N 430.501 2.524 0 40 IFAB biogenic O=C(NCCCN1CCc2ccccc21)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20454607 FLFIROZMXHQAER-UHFFFAOYSA-N 427.570 2.795 0 40 IFAB COc1ccc([C@H](CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)NC(C)=O)cc1 21446273 BBRRNMUZNFDYES-INIZCTEOSA-N 435.406 2.640 0 40 IFAB O=C(COC(=O)CCc1nc(-c2ccsc2)no1)Nc1ccccc1C(=O)NC1CC1 22018174 RNYZOBLKGNQOSR-UHFFFAOYSA-N 440.481 2.805 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)c4ccccc4c3=O)CC2)cc1 24528588 DBPCJGYHIMAFID-UHFFFAOYSA-N 440.569 2.621 0 40 IFAB COc1ccc(CSc2nnc(Nc3cccc(C(C)=O)c3)c(=O)n2N)cc1OC 28535942 IJSBGJHZTSJSSM-UHFFFAOYSA-N 427.486 2.608 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc2O1 29357181 IIRXTESHUOJNPD-IBGZPJMESA-N 449.536 2.575 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 30850350 DYEQGIHVSBZDNL-HNNXBMFYSA-N 434.514 2.848 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3cc(Cl)ccc3c2=O)NC(=O)N[C@@H]1c1ccccc1 32841192 WMQNSOJKZAWEHE-LJQANCHMSA-N 438.871 2.921 0 40 IFAB COC(=O)c1ccoc1COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 32894864 HVGFLEXIBXSNLB-MRXNPFEDSA-N 429.878 2.766 0 40 IFAB O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc2c(c1)OCO2)NC1CCCCC1 35310744 WWRLXBSNRNKSCY-UHFFFAOYSA-N 443.525 2.689 0 40 IFAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 40104498 RYTGADQRTKMXAL-VQIMIIECSA-N 444.557 2.859 0 40 IFAB O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnc3n2CCCCC3)CC1 46873279 YMDYVQHNELSSGJ-UHFFFAOYSA-N 437.466 2.790 0 40 IFAB Cc1oc(C(=O)Nc2cccc(CN3CCOC3=O)c2)cc1S(=O)(=O)N1CCCC1 48235289 OCGFZWPQAVRNJL-UHFFFAOYSA-N 433.486 2.577 0 40 IFAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC[C@@H](c4ccnc5ncnn45)C3)cc2n1 72334868 QSVHXIPUXPKBLK-GFCCVEGCSA-N 430.394 2.514 0 40 IFAB COc1ccccc1NC(=O)[C@@H]1CN(C(=O)COc2ccc(F)cc2)Cc2cn(C)nc21 72345618 VOVXDGARNJALPM-GOSISDBHSA-N 438.459 2.711 0 40 IFAB COc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 78875070 OIELMUHWJOVRFQ-BMFAXAFESA-N 438.590 2.643 0 40 IFAB CCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CCCC1)CC3 100243334 UWRLNEDXUYCUGR-LJQANCHMSA-N 425.533 2.973 0 40 IFAB COc1cccc2c1OC(=O)[C@@H]1[C@H](C(=O)O)[C@H]3C[C@H]1[C@@H]1[C@@H]2c2sc(=O)[nH]c2S[C@H]31 101998801 LETQKJKEXLWDSX-ZQIWFLHVSA-N 431.491 2.553 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 220210308 YZWCUTFNYOZHDG-HNNXBMFYSA-N 438.571 2.767 0 40 IFAB COc1ccc(CCCNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1OC 223851243 SALTVUYPFBYFBP-UHFFFAOYSA-N 434.558 2.523 0 40 IFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)n2)c1 223863953 LQVAYVBXMBCZRS-UHFFFAOYSA-N 448.526 2.904 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)COc3ccc(C)cc3)CC2)cc1 225499526 UTATZDUWVNGVAC-SFHVURJKSA-N 446.569 2.988 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCN(C)[C@H](c3ccccc3OC)C2)c1 257211650 BZSNITSYEGWOTJ-NRFANRHFSA-N 426.517 2.589 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 257342692 ZPTILZPWKJJDBQ-RUZDIDTESA-N 435.572 2.790 0 40 IFAB Cn1nccc1[C@@H]1CN(C(=O)c2cccs2)C[C@]12CCCN(Cc1ccncc1)C2=O 306124131 BGZQDHVPWXVMPG-FDDCHVKYSA-N 435.553 2.925 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408657168 GMJNTWXQJBHCRQ-QDGJQWLKSA-N 446.459 2.802 0 40 IFAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549162132 OCYSDFWJTGYKOQ-OAHLLOKOSA-N 439.299 2.653 0 40 IFAB O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)CC1 1325064 TVOSOVDURSXCLY-UHFFFAOYSA-N 447.326 2.986 0 40 IFAB O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1)c1ccco1 1339727 PVWYXQFGGVKEPC-UHFFFAOYSA-N 428.452 2.770 0 40 IFAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 2406990 ILXXNBNMMSTRRC-KRWDZBQOSA-N 445.523 2.936 0 40 IFAB CCn1cc(Br)c(CN(C)C(=O)CCn2cc(Br)c(C)n2)n1 2804565 PKOSYKXGNYRMON-UHFFFAOYSA-N 433.148 2.982 0 40 IFAB COc1cc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OCc4ccccc4)CO[C@H]23)cc(OC)c1 3842066 BXZJXRXBSSRCTB-DOIPELPJSA-N 430.526 2.742 0 40 IFAB biogenic,in-vitro CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1 4326436 ZMNOFWQZGBGQQO-UHFFFAOYSA-N 437.500 2.509 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 4897632 JOCMYJHDTGJEBT-NRFANRHFSA-N 426.492 2.686 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3sc(C(=O)OCC)c(C)c3c2=O)cc1 8583737 SIXNPCFPPONJBP-UHFFFAOYSA-N 443.481 2.759 0 40 IFAB COc1ccc2c(CCNC(=O)CSc3nnnn3-c3ccccc3OC)c[nH]c2c1 9042609 OZMUORJKRIGXBD-UHFFFAOYSA-N 438.513 2.612 0 40 IFAB O=C(c1ccc(Br)o1)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 9344663 QPTPNJSWJVQPPF-UHFFFAOYSA-N 442.335 2.505 0 40 IFAB COc1ccc(-c2csc(NC(=O)CSc3nnnn3C[C@H]3CCCO3)n2)cc1 9478145 XXWWJOUSXBQYOE-CQSZACIVSA-N 432.531 2.715 0 40 IFAB Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807142 BBOCMWCCPBYSGM-IBGZPJMESA-N 429.542 2.520 0 40 IFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9823934 APXWMIAOTZQRJY-SFHVURJKSA-N 449.895 2.852 0 40 IFAB COc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)N4CCCC4)cc3C[C@@H]2C)cc1 10119343 RRXFKUZFPPYKLL-HNNXBMFYSA-N 436.555 2.620 0 40 IFAB COc1ccc(Cl)cc1NC(=O)C[C@H](NCCc1ccc(OC)c(OC)c1)C(=O)O 10186418 QCCBQSQHRDBZPI-INIZCTEOSA-N 436.892 2.980 0 40 IFAB CCCc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1 11769913 HEZYFDZPBBQDSC-IBGZPJMESA-N 445.589 2.977 0 40 IFAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12616729 MKUGDNWGWFDOKZ-UHFFFAOYSA-N 440.569 2.911 0 40 IFAB NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 12757861 FEYPRVUTNFZZHJ-UHFFFAOYSA-N 431.901 2.591 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)c1 12942733 NBAASMAHDVNFBZ-MGPUTAFESA-N 449.301 2.665 0 40 IFAB CCN(C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 13030425 VBBZRVXOCIPEDA-PDFOZTTASA-N 448.541 2.928 0 40 IFAB COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 13085250 OFMBVLZHCMLFMF-NRFANRHFSA-N 438.528 2.555 0 40 IFAB COc1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 13610562 NYHIPTCLVMYPFY-UHFFFAOYSA-N 429.473 2.791 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)c(OC)c1OC 15679274 YVQPCGNXIHBOOR-UHFFFAOYSA-N 426.473 2.654 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(=O)c2ccc(Br)cc2o1 15859896 QDADSJGLZDZOHA-OAHLLOKOSA-N 447.285 2.952 0 40 IFAB COc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@@H]3C)nc2C(F)(F)F)cc1 16609660 QXRBDLBKKRKMFF-RYUDHWBXSA-N 435.410 2.760 0 40 IFAB CN(C)C(=O)[C@@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1 17480963 LPLYAUKVAFJPRA-HNNXBMFYSA-N 431.297 2.627 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O 18415569 ZLRNPXZNEKXRPI-JOCHJYFZSA-N 442.903 2.594 0 40 IFAB Cc1nc(C)n(CC(=O)N2C[C@H](c3ccc(CN4CCOCC4)cc3)[C@H]3CCCC[C@H]32)n1 19285758 CLLQEYAJVYZRMK-WXFUMESZSA-N 437.588 2.912 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)c2N)cc1 19454895 CKRSWABGMOHEPC-MRXNPFEDSA-N 436.516 2.976 0 40 IFAB CCn1nc(C)c(NC(=O)[C@@H](C)N2CC3(CCOCC3)Oc3ccccc3C2=O)c1C 19523844 SCNXORUHGPFISK-QGZVFWFLSA-N 426.517 2.931 0 40 IFAB Cc1ncsc1C(=O)N1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 19562203 CCOPVVXNTIAZLX-IRXDYDNUSA-N 442.589 2.612 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 19751854 ANUXXULMHYCOTM-HXUWFJFHSA-N 442.491 2.529 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1C(C)(C)C 19755175 YGSBLEZNYMSJDG-KRWDZBQOSA-N 432.546 2.716 0 40 IFAB O=C(C[C@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCc1ccccc1 19819503 ACCLUOCOBSXPAC-NRFANRHFSA-N 428.496 2.917 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1OC 20898350 ZCMTZQOTGAAZML-UHFFFAOYSA-N 446.569 2.605 0 40 IFAB biogenic O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCc1nnc2ccccn12 22615750 AVEWMPYXWLBPSG-UHFFFAOYSA-N 442.508 2.781 0 40 IFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Br)cc1 22931237 RTYBXKQSEQQNBW-UHFFFAOYSA-N 432.318 2.934 0 40 IFAB Cc1c(NC(=O)CSCC(=O)NCCc2cccs2)c(=O)n(-c2ccccc2)n1C 23483607 MJJUYDCIVGQVAB-UHFFFAOYSA-N 444.582 2.577 0 40 IFAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 24193345 AVZGCLOOWRPBEQ-UHFFFAOYSA-N 428.964 2.512 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1 27752205 DRGMZTKMSRQOAG-UHFFFAOYSA-N 443.916 2.530 0 40 IFAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Oc3ccc(NC(=O)c4cccc(C)c4)cc3)cnc21 30027914 BLCAAUQRIAILCS-UHFFFAOYSA-N 444.447 2.885 0 40 IFAB COc1ccc(OC)c(CN2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)c1 31189335 BAMYLSVAUWMTAN-UHFFFAOYSA-N 428.920 2.683 0 40 IFAB O=C(NCC1(N2CCOCC2)CCCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 32731387 KFSYKIYOIOCNAY-UHFFFAOYSA-N 449.542 2.968 0 40 IFAB CNC(=O)Cc1ccc(NC(=O)[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 32915844 FBVFKLZFOWRNKH-QGZVFWFLSA-N 435.402 2.865 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCCC[C@@H]3N3C(=O)CSC3=O)[nH]n2)c1 38679683 ZLLWAYISKRMZOW-PBHICJAKSA-N 444.513 2.830 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 38755796 BICCTBUQYGHMPQ-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44911950 CBHVQQSXMCAXME-LJQANCHMSA-N 432.498 2.646 0 40 IFAB O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc(Cl)cc1F 45970714 HFZFKABRWSBNIP-UHFFFAOYSA-N 439.925 2.837 0 40 IFAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)ccc1Cl 48263805 FJZDLJWQKLVEKS-SFHVURJKSA-N 449.960 2.684 0 40 IFAB COc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)cc1OC 49399259 DJBYVAWVEVCQBQ-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccc(Br)cc3)c(=O)n12 49407271 MVEZRNDMRSEGMO-UHFFFAOYSA-N 439.273 2.663 0 40 IFAB Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1 56997858 TYFZWAHOUIGXGC-UHFFFAOYSA-N 435.503 2.559 0 40 IFAB Cc1cc2nn(CC(=O)Nc3ccc(C)c(F)c3)c(=O)n2c(N2CCc3ccccc3C2)n1 57505884 WGVJAOZIQCFEAQ-UHFFFAOYSA-N 446.486 2.848 0 40 IFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 58170307 LEZFPQNRDYWPBK-UHFFFAOYSA-N 446.433 2.752 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1F 60322807 KGDOJEFEQQAYBT-SFHVURJKSA-N 448.545 2.851 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)n3c(C)n2)cc1 67226646 TYNLSQKYLWWJAM-HXUWFJFHSA-N 429.480 2.679 0 40 IFAB O=C(CN1CCN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)CC1)N1CCCCCC1 71849990 LEXUCHBADFFQJM-UHFFFAOYSA-N 438.576 2.707 0 40 IFAB Cc1cc(C)n([C@@H](C)C(=O)N(CCNC(=O)[C@@H](C)n2nc(C)cc2C)CC(F)(F)F)n1 72292815 GZOOHKPKXPTBBY-SJORKVTESA-N 442.486 2.643 0 40 IFAB CC(C)[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 72403430 YTDRGLZIXMQYTK-KRWDZBQOSA-N 434.903 2.764 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@@H]1CCCO1 80332142 UMNGYEDDZXPBOI-HIFRSBDPSA-N 429.348 2.509 0 40 IFAB COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 89568856 KYJRIPMSJZFATB-UHFFFAOYSA-N 431.558 2.565 0 40 IFAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 95469838 OCTJFHOEEAHIPX-IBGZPJMESA-N 427.570 2.502 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 100163939 CNHLSXAQEJPQCA-BSWISCRUSA-N 444.535 2.752 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1=O 103054652 RVKCMPYSZJYMFU-DOQFWFFUSA-N 428.529 2.921 0 40 IFAB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1OC 220149148 NAQAKYOSBZPLBD-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220204935 RPICONWCTINXNA-OAHLLOKOSA-N 436.530 2.526 0 40 IFAB Cc1ncn(CC(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)c(=O)c1C 220696573 SSFRERLMOHITHQ-MRXNPFEDSA-N 425.464 2.531 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCCC1 223872875 ZCGHNYVDGVGDFV-UHFFFAOYSA-N 446.525 2.571 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 224126940 GUOSECTZAJKJJW-UHFFFAOYSA-N 447.513 2.601 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C1 257229594 FYRWWVZTOJIVDU-YBVYZSPJSA-N 425.529 2.776 0 40 IFAB CC(C)(C)OC(=O)N1CCC([C@@](O)(Cn2cc(C(=O)O)ccc2=O)c2nccs2)CC1 257229810 FZODXIYLJZFTPJ-NRFANRHFSA-N 449.529 2.538 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCO[C@H](c3cc(-c4cncnc4)cc(C)n3)C2)c(C)n1 257245210 IONJDZDIKRNAIU-FQEVSTJZSA-N 442.545 2.524 0 40 IFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 409140421 FDHLCLAXCMHRJJ-CYBMUJFWSA-N 447.285 2.993 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 409267828 PFBOBBLPPQKYNT-HNNXBMFYSA-N 433.530 2.628 0 40 IFAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN(C(=O)/C=C/c3csc(C)n3)C2)n1 585290906 HCSFTMSOGGZUCC-VBROQKIQSA-N 427.559 3.564 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@@H]2C1 1549160788 HMRJYHJBYKBIDB-SFHVURJKSA-N 428.439 2.676 0 40 IFAB CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 1196858 NTNFVQUAJMSDFP-OLMMMNRUSA-N 427.291 2.615 0 40 IFAB Cc1nn2c(=O)cc(COC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)nc2s1 3433552 NVAJZZLOGVZAJF-IBGZPJMESA-N 448.504 2.544 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4CC[C@@H]3C)CC2)cc1 6822441 RZQKCGZETFWKJM-IBGZPJMESA-N 427.570 2.669 0 40 IFAB Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CC(C)(C)CC(=O)O 8635395 KQXIKGZQIRFHQZ-BBWFWOEESA-N 428.533 2.865 0 40 IFAB biogenic,in-vitro O=C1CN(C(=O)Nc2ccccc2F)c2ccc(S(=O)(=O)N3CCCCC3)cc2N1 8734874 ISCXWTPABNBLLS-UHFFFAOYSA-N 432.477 2.991 0 40 IFAB CCCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)c1 8844170 YFSSFPSYKMJQCC-UHFFFAOYSA-N 426.498 2.937 0 40 IFAB O=C(CSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1)NC1CCCC1 9517877 CQPADDLIALUOBP-ZDUSSCGKSA-N 445.570 2.681 0 40 IFAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Br)cc2)n(C)c1=O 9519040 ZUDUCDZLFDOZNH-LBPRGKRZSA-N 432.322 2.857 0 40 IFAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)c2ccccc21 9519613 HTGFCQLYXAMPGQ-UHFFFAOYSA-N 435.590 2.929 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCCC2)cc1 9622113 ZCBJEOFIJSOBFO-UHFFFAOYSA-N 427.501 2.658 0 40 IFAB O=C(COC(=O)c1ccc(Cn2cccn2)cc1)Nc1cc(Cl)ccc1-n1cncn1 10822098 XDSOQYZJNZHTGY-UHFFFAOYSA-N 436.859 2.961 0 40 IFAB CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cn2)CC1 11586177 DSBBNWQSEBOWBW-SFHVURJKSA-N 441.963 2.978 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21)c1ccccc1Cl 12071701 UAVRPJPONPSMJY-UHFFFAOYSA-N 425.851 2.864 0 40 IFAB COc1cc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)c(C)c(=O)[nH]2)cc(OC)c1OC 12126947 NTCOCOSYDYBLDK-UHFFFAOYSA-N 439.472 2.728 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)c4csc(NC(C)=O)n4)C3)nn2c1O 12134721 GHBLYFYGYDJCPR-ZDUSSCGKSA-N 428.518 2.740 0 40 IFAB COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCC(=O)N3CCCC3)C2)c2ccccc12 12801230 GJEXPDHWDFRKRE-SFHVURJKSA-N 437.540 2.829 0 40 IFAB COc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1OC 12889689 ZNGYYRFYFXZSHQ-ZHACJKMWSA-N 444.553 2.867 0 40 IFAB COc1cc(C)cc2oc(=O)c(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(C)c12 12890776 MZRREKJHMFNUGF-SJORKVTESA-N 434.492 2.769 0 40 IFAB biogenic COc1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12929044 RERTZHBMLWMTAH-KRWDZBQOSA-N 443.569 2.517 0 40 IFAB CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C(=O)O)c1ccccc1 13591631 SRTJRFVGRIMETK-FXAWDEMLSA-N 438.484 2.512 0 40 IFAB biogenic O=c1cc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(O)cc2o1 15102278 JMBZLPADDKNDDE-UHFFFAOYSA-N 432.473 2.534 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2)CC1 15182667 IVEKHQUAVAYZJS-HXUWFJFHSA-N 449.598 2.728 0 40 IFAB CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 16026202 OSHQNXPZTMFVRG-OAQYLSRUSA-N 437.565 2.749 0 40 IFAB CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 19116971 GIGNYQOLKCZXFV-ZBFHGGJFSA-N 425.455 2.923 0 40 IFAB O=C1CCC[C@]2(CN(C(=O)c3cnc(N4CCCCC4)nc3)C[C@H]2c2ccccc2F)N1 19368190 UPLHUWRBKFQHTO-YADARESESA-N 437.519 2.885 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 19528422 PRDPJVRRSQMHMA-NTKDMRAZSA-N 439.581 2.981 0 40 IFAB Cc1cc(N2CCO[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)nc(C)n1 19702846 KOCKEQBKZOXGLM-QGZVFWFLSA-N 439.541 2.753 0 40 IFAB O=C(c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)N1CCN2CCCC[C@@H]2C1 19708051 CSSYHOWDGJHJNP-OAQYLSRUSA-N 433.556 2.807 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CCC2=NNC(=O)CC2)ncc1C(=O)N1CCCCC1 19765645 VYDDMXKWTRJDDZ-IBGZPJMESA-N 440.548 2.511 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1Cl 20107548 WPQVHIPEKQPCAI-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)o2)cc1 21625802 KXXXCDDBVJBVGT-NWDGAFQWSA-N 436.515 2.959 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 22384057 BSLKAVRMEYEDGX-UHFFFAOYSA-N 431.558 2.589 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22781230 WSGATWVWZVVSGO-SFHVURJKSA-N 434.540 2.503 0 40 IFAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22933996 LUNKFNFZQSNTSU-KRWDZBQOSA-N 448.489 2.966 0 40 IFAB COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)c1 23107688 KWLRNCYRTHIHFR-QHCPKHFHSA-N 433.508 2.977 0 40 IFAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 24049234 BPQREPKBNAWQGA-UHFFFAOYSA-N 440.481 2.670 0 40 IFAB Nn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc(Cc2ccccc2)c1=O 27546321 LXWJWHANDXITKD-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB CSc1nnnn1-c1cccc(NS(=O)(=O)c2ccccc2Br)c1 31668763 HYYXHVQYQQAORJ-UHFFFAOYSA-N 426.321 2.948 0 40 IFAB COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 32674212 AFCHLPSQENTEIA-UHFFFAOYSA-N 449.525 2.857 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc(C(=O)N(C)C)c1C 32674917 RWCFKPLXPBJICG-CQSZACIVSA-N 430.482 2.655 0 40 IFAB CNC(=O)c1cccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)c1 32745186 FXKYWLMHXTZFKR-UHFFFAOYSA-N 434.481 2.612 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(CC(=O)N2CCCC2)CC1 32797292 JCCHWKQYPNDVJS-AWEZNQCLSA-N 446.901 2.926 0 40 IFAB NC(=O)N[C@@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 32999648 KIHOWMSTWKZLEC-INIZCTEOSA-N 448.317 2.679 0 40 IFAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 36392017 WDGAYMXZRVOJAE-LEWJYISDSA-N 438.528 2.530 0 40 IFAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 37866365 FDRZBVLYKJPKPA-UHFFFAOYSA-N 433.487 2.537 0 40 IFAB COC(=O)c1ccc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccccc32)o1 49402593 OMVNEJJRGYOXJN-UHFFFAOYSA-N 445.497 2.576 0 40 IFAB COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 49421687 ONDWIFNSWWYEAK-UHFFFAOYSA-N 441.509 2.649 0 40 IFAB Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(S(=O)(=O)C(C)C)C2 70040175 WCXALYKBDHWAQA-UHFFFAOYSA-N 445.589 2.735 0 40 IFAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 71326508 XNSDPQABFULWTM-UHFFFAOYSA-N 444.582 2.726 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372936 GVGVSAUWMXJGLV-FQEVSTJZSA-N 425.508 2.677 0 40 IFAB Cc1cc(C)n(CCN2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 77196867 NXZZKLPJCZUNNE-UHFFFAOYSA-N 430.496 2.915 0 40 IFAB CS(=O)(=O)NC1=NC2=NC(c3ccc(Br)cc3)=C[C@@H](c3ccccc3)N2N1 100486429 DMGGJCYYAQOUKF-INIZCTEOSA-N 446.330 2.626 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3SC(=O)NC3=O)CC2)on1 100743726 XDTLGTTWDQUKPN-VBQJREDUSA-N 443.529 2.880 0 40 IFAB CCOC(=O)C(=CNc1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1C)C(=O)OCC 102069344 IQLYUQNVUYSHJC-LJQANCHMSA-N 447.406 2.730 0 40 IFAB COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222883563 OGUNBQDZFNQAHL-KRWDZBQOSA-N 446.519 2.955 0 40 IFAB Cc1cccc(C)c1N(CC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 224766456 WPTNFOLZQDRRDS-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 224955266 CTNNEBPPIGKCNR-UHFFFAOYSA-N 445.541 2.853 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225535753 LGCWFEJRSMDUPY-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21 225679745 CFBLZUXLYOJLHR-VMPITWQZSA-N 429.567 2.620 0 40 IFAB COc1cccc(-c2noc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)n2)c1 225822417 MHVAFUQDUAONOJ-UHFFFAOYSA-N 447.542 2.628 0 40 IFAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)o1 257248201 JCPTUANEAUEIMH-LJQANCHMSA-N 436.512 2.854 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257270573 MUUCJRSUNLPCNW-QGZVFWFLSA-N 445.476 2.525 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 257316846 VHGRWJUSGGIVJU-LJQANCHMSA-N 447.495 2.936 0 40 IFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390829408 DZNSNAQZYXDXMY-JLTOFOAXSA-N 435.473 2.710 0 40 IFAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)NC[C@@H]3CCCO3)c12 409141560 VNMCVOGAEFUFJN-BEWREHSGSA-N 440.569 2.529 0 40 IFAB CC(C)Oc1ccc(C(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cn1 1775972528 JIVOKEGULVLVAA-UHFFFAOYSA-N 449.437 2.678 0 40 IFAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OCc2ccccc2)c1 951759 UEUMGVLMGUIUSR-FQEVSTJZSA-N 447.491 2.667 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 958832 XFFKPTNETOYKDG-GFCCVEGCSA-N 426.498 2.793 0 40 IFAB Cn1ncc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)c1C(N)=O 2781338 MEHBEJHMOWCBRY-UHFFFAOYSA-N 435.391 2.561 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ncccc3O)cc2)cc1 6023400 IXZRDQANDJMFMY-UHFFFAOYSA-N 427.482 2.938 0 40 IFAB CCN1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2Cl)CC1 8315688 FVXFWTLQBCZYEH-HOTGVXAUSA-N 427.998 2.784 0 40 IFAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(Cc4ccncc4)CC3)c2c1C 8728571 RYPOULMHQQCFCZ-UHFFFAOYSA-N 438.601 2.858 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1 8777271 VJZYWKCZAMOSOX-UHFFFAOYSA-N 426.473 2.648 0 40 IFAB COc1ccccc1OCC(=O)Nc1c2c(nn1-c1cccc(C)c1)CS(=O)(=O)C2 8910462 KEFSBTSKAOJMJQ-UHFFFAOYSA-N 427.482 2.635 0 40 IFAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)c1 9215786 NDFJMKGOIGEMRG-PWDRBQJJSA-N 434.514 2.504 0 40 IFAB COc1ccc([C@@H]2[C@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)Cn2ccsc2=N)cc1 9545920 YNKDDXCBKDHISJ-FGZHOGPDSA-N 447.520 2.868 0 40 IFAB COc1ccc(-c2cc(C(=O)OCC(=O)N3CCNC3=O)c3ccccc3n2)cc1OC 9690058 VPNZHYMBFOZTBL-UHFFFAOYSA-N 435.436 2.628 0 40 IFAB COc1ccc2c(-c3cccnc3)cc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nc2c1 9731184 HTUFDDHZWIRCTN-HNNXBMFYSA-N 443.550 2.701 0 40 IFAB CCOc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1 9857544 WWTFGCMGPOYVOZ-UHFFFAOYSA-N 438.875 2.727 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 9985011 YXCQSDGBYHLQFL-HXUWFJFHSA-N 428.510 2.890 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 10718619 NPEHRSNPFUZKTO-LJQANCHMSA-N 442.947 2.740 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 10860414 LFKVXNWYLZJPSO-UHFFFAOYSA-N 444.431 2.744 0 40 IFAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cccc(F)c21 11726448 BCTZEFSFUIUOLZ-LSDHQDQOSA-N 449.529 2.624 0 40 IFAB CC1CCN(CC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)CC1 12085534 CGFHNYJRPGULDM-HSZRJFAPSA-N 446.979 2.705 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2C)c1=O 12237642 BOZBRWMDCVUYPY-UHFFFAOYSA-N 431.452 2.706 0 40 IFAB O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccc2c(c1)OCCO2 12441664 NAXNNUSICYVLFM-UHFFFAOYSA-N 443.463 2.870 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccccc2)NC(=O)N[C@@H]1c1cccs1 12804776 URJAHKXTDAFIAK-SCLBCKFNSA-N 430.482 2.930 0 40 IFAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12977983 PXCJKPNSKLNGEU-UHFFFAOYSA-N 444.553 2.873 0 40 IFAB NS(=O)(=O)c1ccc(-n2ncc(NCc3ccc(Cl)cc3)c(Cl)c2=O)cc1 13016806 MKQPKTSDQNHBPN-UHFFFAOYSA-N 425.297 2.799 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2 13148298 VESFLNJPFDGEBI-CYBMUJFWSA-N 436.555 2.980 0 40 IFAB COc1ccc(OCCN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)cc1 14136527 BORRBYNXBQCWDR-UHFFFAOYSA-N 437.540 2.654 0 40 IFAB C[C@@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14242200 HZXFTRMLWJWNDX-QLJPJBMISA-N 439.453 2.871 0 40 IFAB COc1ccc(-c2nn3c(SCC(=O)Nc4cccc(F)c4)nnc3nc2O)cc1 15882036 BIAWZXOKXJQEGS-UHFFFAOYSA-N 426.433 2.770 0 40 IFAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)cc1Cl 15970633 URHKXYVFQKNZQU-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)on1 19119838 RWXYKFGDTGNGAH-OAHLLOKOSA-N 439.541 2.706 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 19235113 WCNVWZNWERLDCM-JPYJTQIMSA-N 429.586 2.561 0 40 IFAB O=C(Cn1cncn1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19294008 DZQZYCJYCBNQRF-UHFFFAOYSA-N 430.447 2.598 0 40 IFAB COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1CO 19559293 CELDEOAIKNBZGA-QILLFSRXSA-N 425.455 2.979 0 40 IFAB CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)nc1-c1ccc(OC)cc1 19698831 WUPAOOMHZIKKJA-QGZVFWFLSA-N 448.527 2.872 0 40 IFAB CC(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699398 QAEBTFYVTSLKBV-FQEVSTJZSA-N 426.561 2.610 0 40 IFAB Cc1nc(CC(=O)N2CCC[C@@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cs1 19707900 AXQSXQKKMNWCFM-OAHLLOKOSA-N 432.550 2.700 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 22252061 ZRLTYHIZHMQUNG-UHFFFAOYSA-N 436.486 2.513 0 40 IFAB CCOC(=O)C1=C(CN2CCN(Cc3sc4ccccc4c3Cl)CC2)NC(=O)NC1 22786002 YCMKBDTXJQOEFU-UHFFFAOYSA-N 448.976 2.802 0 40 IFAB O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)Nc1ccc2c(c1)OCCO2 23145360 ASSQJOOQPHZBKJ-UHFFFAOYSA-N 440.525 2.931 0 40 IFAB COc1ccc2cc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(C)nc2c1 24096936 ZWNBTGTZYAFMIZ-UHFFFAOYSA-N 443.507 2.746 0 40 IFAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC 24347715 HUJKEGQSEUNQGX-UHFFFAOYSA-N 443.319 2.635 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)[C@@H](c2ccccc2)C1 25909921 XXLNRXUKIIGSNG-GOSISDBHSA-N 441.475 2.656 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O 31495858 TXDZFLLPGZMCMP-NPMXOYFQSA-N 426.517 2.889 0 40 IFAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@@H]1c1cccnc1 34897626 XLXCQPSCZFIKDR-DHIUTWEWSA-N 445.475 2.865 0 40 IFAB O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2O)n1CCO 36618873 WDUHVZJNNQZANN-VMPITWQZSA-N 434.233 2.869 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1Br)O2 38834923 YSRXJFDZWPWTMB-MRXNPFEDSA-N 425.304 2.923 0 40 IFAB Cc1noc([C@@H]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2)n1 40156236 VTQVEILARUYBTG-LJQANCHMSA-N 446.573 2.802 0 40 IFAB CCCNC(=O)C1CCN(c2ccc(SCC(=O)NCc3ccccc3)nn2)CC1 49002931 ADIRFHYWSPVUTN-UHFFFAOYSA-N 427.574 2.628 0 40 IFAB CCOC(=O)c1sc(NC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)nc1C 49547710 LVYYCXVOUVNXPI-UHFFFAOYSA-N 446.460 2.638 0 40 IFAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 49622738 KRDDIQNCTFCMGC-IBGZPJMESA-N 432.446 2.948 0 40 IFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 58244599 FDIIKXWVBKWSQK-INIZCTEOSA-N 427.448 2.854 0 40 IFAB COc1cc(OC)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(C(=O)O)c1 60362431 GDZOLBNXGCIEBG-UHFFFAOYSA-N 428.422 2.922 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 72277415 GRCSLEQFBRVRPQ-JOCHJYFZSA-N 444.553 2.782 0 40 IFAB COCCn1nc([C@@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)n(C2CC2)c1=O 77151207 PWRFIEHOQXRETE-MRXNPFEDSA-N 433.940 2.769 0 40 IFAB COc1ccc(OC)c(CN2CCN(c3nc4ccccc4nc3N3CCOCC3)CC2)c1 83925569 TUXXFWCEBDGGIZ-UHFFFAOYSA-N 449.555 2.806 0 40 IFAB CCOc1ccc(NC(=O)Cc2ccccc2C(=O)OC)cc1S(=O)(=O)N1CCCC1 95456768 PGRJMRBOEYFGBY-UHFFFAOYSA-N 446.525 2.838 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)CC1 96119749 DBLDTCSYZSXMDL-UHFFFAOYSA-N 446.554 2.999 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186472 VMBYJNSRPKZUTG-YOSAUDMPSA-N 430.520 2.940 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)CC2)cc1 102645806 KVCADAZCZCTMCC-JYAXBFRTSA-N 446.569 2.556 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)cc1N1CCCC1=O 223888973 XFAAYFXRTWETHI-UHFFFAOYSA-N 434.514 2.660 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 223996622 NYDUBCIZICIQNS-MRXNPFEDSA-N 430.501 2.645 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(C)c(Cl)c2)Oc2ccccc21 224153870 QYHKOFKKZZZQSQ-IBGZPJMESA-N 438.933 2.761 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 224228766 FIBXGFJFIJHVCU-OAQYLSRUSA-N 432.542 2.751 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CCN(C)C2 257228022 FRZGEDGQVZAIAZ-LJQANCHMSA-N 449.599 2.879 0 40 IFAB COc1cc2c(cc1CN1CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C1)OCO2 257286800 PNBWAXITZXFJQB-JOCHJYFZSA-N 448.903 2.603 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408636118 SUZSOENDJWXMOQ-QGZVFWFLSA-N 432.542 2.666 0 40 IFAB COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604406313 HEZKRMDSPADQAJ-GOSISDBHSA-N 441.484 2.540 0 40 IFAB biogenic CCOC(=O)c1cn(CC(=O)NCc2ccc(OC)cc2)c2c(F)ccc(F)c2c1=O 1889271544 NENDDNCLOYOZSD-UHFFFAOYSA-N 430.407 2.781 0 40 IFAB O=C(CN1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1cccc(C(F)(F)F)c1 2087069172 PQOYEWQIWBKSPR-HNNXBMFYSA-N 435.393 2.602 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)N2CCCN32)cc1 637299 OCXOEGZKKXKHMB-QYZOEREBSA-N 442.313 2.993 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 1367534 MYRBYGQGTDHKPJ-UHFFFAOYSA-N 448.488 2.709 0 40 IFAB Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4nn(C)c(C)c4Br)nc3c12 2790310 DEHNBPDGXAGXEW-UHFFFAOYSA-N 434.323 2.821 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)sc(C)c1C 3343899 DOKRXVMFFTXBMO-KRWDZBQOSA-N 444.509 2.607 0 40 IFAB CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1 6134928 HCLPJBMGIDFFLM-UHFFFAOYSA-N 439.512 2.722 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCc4ccccc43)CC2)c(C)c1 6822701 BKFKQXUMUCVJSX-UHFFFAOYSA-N 427.570 2.589 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8218160 PMOGPVPJWXUHJI-OAHLLOKOSA-N 425.485 2.835 0 40 IFAB Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 8622853 ISNGYHMGDUBCJK-SCTDSRPQSA-N 426.542 2.836 0 40 IFAB biogenic,in-vitro Cn1c(=O)c2c(nc(NCCc3ccc(Cl)cc3)n2Cc2ccc(F)cc2)n(C)c1=O 8774860 LVHHQQFXUYEKHR-UHFFFAOYSA-N 441.894 2.929 0 40 IFAB Cc1c(CC(=O)N2CCN(c3ncccn3)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 9134033 MVAIBKLESANGPC-UHFFFAOYSA-N 448.523 2.886 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1-c1nccs1 9255617 SCJCPJQRVSQBFS-OAHLLOKOSA-N 427.482 2.918 0 40 IFAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9303946 MZVWRUPUDMQSLC-MRXNPFEDSA-N 445.516 2.992 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1C(=O)N1CCCC1 9356452 BGNRCYKMLJYZCW-UHFFFAOYSA-N 445.541 2.870 0 40 IFAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9413273 DSOBRNIRHWZIEV-KRWDZBQOSA-N 447.582 2.592 0 40 IFAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCOC)cc1 9846520 IJVHAZXNSPIINR-HXUWFJFHSA-N 441.484 2.906 0 40 IFAB COc1ccc(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)c(OC)c1 11695865 BQUSLBSXZPIZFP-UHFFFAOYSA-N 427.501 2.660 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccccc3C)CC1)NC2=O 12086528 HLNLPRXJHJYWBX-AVRWGWEMSA-N 434.540 2.872 0 40 IFAB COc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)Cc4ccccc4)CN3C)n2)cc1 12529938 PIQLOXMGIKMVMG-HKUYNNGSSA-N 428.514 2.610 0 40 IFAB biogenic,in-vitro C[C@H](OC(=O)CCC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12795311 NLNBXBJYOPDWDZ-JTQLQIEISA-N 444.918 2.582 0 40 IFAB CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccc(F)c1 12971747 ICTJJTBDVAVRKD-GOSISDBHSA-N 427.929 2.762 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(OC)c(Cl)cc2OC)Oc2ccccc21 13680076 VACTXGBXQYZODX-SFHVURJKSA-N 440.905 2.913 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 14629428 XCXDDEFGZXHQQH-LJQANCHMSA-N 432.498 2.648 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)NCCNC(=O)c1nc(-c2cccs2)no1 15082108 QNNMVOOHEXMKDB-UHFFFAOYSA-N 440.403 2.742 0 40 IFAB CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1 15152445 MGCVPLOUTDHATN-UHFFFAOYSA-N 448.444 2.844 0 40 IFAB CCc1ccc(OCC(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 16161986 DIGJPRZXILEOKC-UHFFFAOYSA-N 430.555 2.974 0 40 IFAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCCCC1 16867336 IHUKNMGXNIFZGQ-MRXNPFEDSA-N 440.537 2.561 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCC(C)CC2)c1 17245973 VJRBGMHGVRWFSM-UHFFFAOYSA-N 429.517 2.745 0 40 IFAB O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 19341904 LVIWRESYCXWKIC-FPOVZHCZSA-N 441.601 2.854 0 40 IFAB CC(C)C[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 19446881 AQGSRAFJSMWMQY-IBGZPJMESA-N 426.496 2.999 0 40 IFAB Cc1nnsc1C(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19563537 NPWJJHBSLQSVRD-UHFFFAOYSA-N 428.558 2.895 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)COc2ccccc2)CCO1 19591833 WQLCQCYZDZBANB-SANMLTNESA-N 445.519 2.714 0 40 IFAB COc1ccc(-c2nccnc2[C@H]2CN(C(=O)CCc3c(C)nc(N)nc3C)CCO2)cc1 19693439 SHWGYTUOSAAOIB-HXUWFJFHSA-N 448.527 2.674 0 40 IFAB CC(C)c1ncc(CN2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19703348 DAPHAYIGJZXLCX-KRWDZBQOSA-N 441.557 2.505 0 40 IFAB COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19761866 LVBPGPZITPHXMB-KRWDZBQOSA-N 433.508 2.904 0 40 IFAB COc1ccc(O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 20487363 KULZFIDRMOQXMW-OAHLLOKOSA-N 434.514 2.894 0 40 IFAB COCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1=O 21963506 JVRSQGBNLSCXCN-UHFFFAOYSA-N 447.470 2.812 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCN(Cc3cc(C)no3)CC2)sc(C)c1CC 22253445 NUGLSCDNLKHJLC-UHFFFAOYSA-N 434.562 2.848 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccsc2)CC1 23819039 DAJLEAQJTZPLDK-UHFFFAOYSA-N 447.626 2.810 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 25457757 HHEMFGZGADKIOE-LJQANCHMSA-N 436.541 2.788 0 40 IFAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 29072639 TZQSYSXIGNZMMP-UHFFFAOYSA-N 428.432 2.654 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 29437224 MDJNEVVCLKIJRS-UHFFFAOYSA-N 449.294 2.727 0 40 IFAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30943619 WKWCLBMNPZTOQJ-GOSISDBHSA-N 437.905 2.854 0 40 IFAB O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCN(Cc2ccncc2)CC1 32624023 IQTQSWXISFAZQM-UHFFFAOYSA-N 428.286 2.909 0 40 IFAB CC(=O)c1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 32908605 HJCGKMHRRQMXNA-UHFFFAOYSA-N 426.498 2.724 0 40 IFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 32983118 BYIDJHBLFYCLLP-UHFFFAOYSA-N 435.358 2.522 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157921 FOMOXFIJVFWWSG-SFTDATJTSA-N 426.513 2.740 0 40 IFAB CCNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccc(Cl)cc3F)nn2)cn1 49401232 DBFWTPXOBQKYDP-UHFFFAOYSA-N 434.884 2.935 0 40 IFAB O=C(NC(=S)Nc1ccc(I)cn1)c1ccc2nsnc2c1 59294213 JTYCUJOJEGAVJN-UHFFFAOYSA-N 441.279 2.818 0 40 IFAB Cc1ccc(C)c(NC(=O)Cn2nc3n(Cc4ccco4)c(=O)c4sccc4n3c2=O)c1 65305529 MNXQMUZIVHKESS-UHFFFAOYSA-N 449.492 2.769 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)c1cccs1 72326827 WNWZWHHHSGYAFG-KIMHZCHSSA-N 426.542 2.878 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(c3nccc(C)n3)C2)on1 72338462 COAFXGCPLOCHBN-SFHVURJKSA-N 434.548 2.674 0 40 IFAB CCn1c(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)nc2ccccc21 72338932 DNAZZJRQIHAJSX-JOCHJYFZSA-N 425.558 2.998 0 40 IFAB O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)[C@@H]1COc2ccccc2O1 77200563 NTLSGRYANHDEEC-NRFANRHFSA-N 431.496 2.577 0 40 IFAB CCN(C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)[C@H](C)CS(=O)(=O)CC 78808727 CQYKBJFNXDTDGB-GFCCVEGCSA-N 433.456 2.963 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(Br)n1 83937344 AKUKEYMBGCQGMK-UHFFFAOYSA-N 426.292 2.780 0 40 IFAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 89573850 QSSFXWZATCRVHB-AWEZNQCLSA-N 425.913 2.813 0 40 IFAB CCOC(=O)C1=C(CN(Cc2ccccc2)[C@@H](CO)C2CC2)NC(=O)N[C@H]1c1ccco1 89978336 CHOYRQQNFAAZKE-UGKGYDQZSA-N 439.512 2.724 0 40 IFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 220221133 JYESYMMYIUHDFM-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1N1CCCCS1(=O)=O 222578679 LAWQDBNVAKYTKG-UHFFFAOYSA-N 442.585 2.929 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 223683549 LSINTIHKEFRUMK-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)CC1 224116396 QPOBALIMGFIAQK-UHFFFAOYSA-N 445.541 2.734 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCCC1 224995949 NTFHZZVABJOZCQ-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB CN(C)CCN1C[C@H]2N(S(=O)(=O)c3cccs3)CC[C@]2(c2ccccc2)CCC1=O 306142415 WYXIHSPVKWMMAC-KNQAVFIVSA-N 447.626 2.633 0 40 IFAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC 408586800 RBOBTMXJCAJAFQ-UHFFFAOYSA-N 437.493 2.914 0 40 IFAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)CC1 408619695 INWIPRSYKIKMPA-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408652867 DFLGQQQAPHJESD-CESHALSISA-N 437.279 2.671 0 40 IFAB CCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409063614 AFUIMAYWLCLGDL-UHFFFAOYSA-N 434.558 2.854 0 40 IFAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)C1=O 409239668 IFPLZEDRRJIDIA-MDWZMJQESA-N 441.278 2.702 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c(C)o1 544601293 ZTOSPNNNHJLVHP-UHFFFAOYSA-N 431.283 2.596 0 40 IFAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618237 UMIIGDKADSKRHY-KRWDZBQOSA-N 440.525 2.689 0 40 IFAB Cc1cccc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)n1 1775969339 LYVLLDXGICDQIE-QGZVFWFLSA-N 443.525 2.523 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@H](O)c3ccc(-c4cccs4)cc3)cc21 1775976620 CJAGQRFVPWRPHC-QGZVFWFLSA-N 430.507 2.872 0 40 IFAB CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccc(Br)cc2)n(C)c1=O 2334599 QWFAWZCKIBXNJI-UHFFFAOYSA-N 432.322 2.857 0 40 IFAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCCn4ccnc4)c12)OC(C)(C)CC3 3985193 LHFYUFSFCQDQKD-UHFFFAOYSA-N 425.485 2.987 0 40 IFAB biogenic CCCCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCC[C@@H]3C2=O)CC1 8399027 DVRNXWWEJYCBOC-JOCHJYFZSA-N 442.604 2.601 0 40 IFAB O=C(CNC(=O)c1ccc(F)cc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605468 KJPOTPPOANOCDB-UHFFFAOYSA-N 444.488 2.811 0 40 IFAB CCN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 8861428 OHOFPXJDHZHBPY-UHFFFAOYSA-N 442.585 2.865 0 40 IFAB Cn1c(=O)oc2cc(S(=O)(=O)n3nc4c5c(cccc53)C(=O)c3ccccc3-4)ccc21 8870465 WACVFWHXNXBHQC-UHFFFAOYSA-N 431.429 2.930 0 40 IFAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CCN2C(=O)NC(C)(C)C2=O)cs1 9155450 AHLPYIAJFOAXHA-UHFFFAOYSA-N 430.486 2.591 0 40 IFAB CN(C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 9183514 BOFYKUOKUBGXQT-UHFFFAOYSA-N 442.589 2.901 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc4c(c3)NC(=O)CS4)CC2)cc1 9217586 UNGYGVOKIZKHLP-UHFFFAOYSA-N 445.566 2.576 0 40 IFAB CN(C(=O)CCCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9254020 FEGKTOIBQWQPEN-UHFFFAOYSA-N 431.496 2.634 0 40 IFAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCCCCC2)c2ccccc21)N1CCCCC1 9519670 DUFFJQAFDIPMGH-UHFFFAOYSA-N 445.585 2.830 0 40 IFAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn23)c1)c1ccccc1 9549707 SKMFLUCOWGHIRW-MRXNPFEDSA-N 435.509 2.699 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)CC2)cc1 9628430 XBQSSFPQVDWKBQ-KRWDZBQOSA-N 436.574 2.776 0 40 IFAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)cc1 9829480 IKWPFJIJZJUTJX-UHFFFAOYSA-N 447.470 2.951 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 9974516 QMDYAHKJMJHKPJ-IBGZPJMESA-N 446.569 2.772 0 40 IFAB CCOc1ccc(CCNC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1OCC 10022152 RSSXBBORQLLURJ-UHFFFAOYSA-N 428.485 2.958 0 40 IFAB Cc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(S(=O)(=O)N(C)C)c1C 10902307 IFQPSMUGBMJREK-UHFFFAOYSA-N 429.542 2.832 0 40 IFAB C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCCC1 11412164 QSBFSYWUEZZGHQ-OAHLLOKOSA-N 440.537 2.995 0 40 IFAB NC(=O)C1CCN(C(=O)CCCCCNC(=O)N2CCc3c([nH]c4ccccc34)C2)CC1 12296893 YDASULHULULUMD-UHFFFAOYSA-N 439.560 2.520 0 40 IFAB biogenic COc1cccc(F)c1-c1nc(C)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 12391613 GADNNDGNBYHTRP-UHFFFAOYSA-N 449.529 2.886 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 12556991 SCOPLQDCCRJXLG-MRXNPFEDSA-N 432.498 2.573 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1 12806713 HYBNETVTDQAETO-UHFFFAOYSA-N 432.329 2.824 0 40 IFAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccco1 12855948 KTDUGYKLQBRVBQ-CYBMUJFWSA-N 449.558 2.961 0 40 IFAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 13071452 UTVLRWQIVXRYOA-HNNXBMFYSA-N 435.933 2.503 0 40 IFAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1C(=O)NC1CC1 13110103 FVWHTZAUECRWAB-UHFFFAOYSA-N 447.461 2.753 0 40 IFAB CCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 17127598 MJEOLSRRCIUHHY-UHFFFAOYSA-N 427.862 2.907 0 40 IFAB Cn1c(=O)c2nc(Sc3ncccn3)n(Cc3ccc(C(C)(C)C)cc3)c2n(C)c1=O 20031492 VLDLBHWPNGHCKI-UHFFFAOYSA-N 436.541 2.721 0 40 IFAB O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc2c(c1)OCCO2 20745475 WSYFVLUWVGWBDJ-AWEZNQCLSA-N 425.832 2.892 0 40 IFAB NC(=O)C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2-n2cccc2)CC1 22519487 IBDMYPSRNGRLTD-UHFFFAOYSA-N 442.317 2.763 0 40 IFAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)n1nnc(-c2ccc(Cl)cc2)n1 23870703 LZSADGNBYPURRS-SECBINFHSA-N 438.797 2.727 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 24609295 IMXSFKGZKZYAEF-UHFFFAOYSA-N 430.526 2.582 0 40 IFAB CSc1nc2nc(C)c(CC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(C)n2n1 24869850 RQMXXVGERGVAKG-MRXNPFEDSA-N 438.557 2.883 0 40 IFAB CCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1S(=O)(=O)N1CCCC1 27104196 NGKSXTGPWYNQQY-UHFFFAOYSA-N 449.529 2.854 0 40 IFAB COc1ccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 27295314 NXJXIXCAELTSQG-QFBILLFUSA-N 437.496 2.907 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 28617026 RHZKNRANAIQUPN-UHFFFAOYSA-N 434.440 2.580 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 30345905 CGCKCJBWOPNUJO-SHACYNPGSA-N 449.463 2.848 0 40 IFAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 32895738 CWHINRKWBYJQQK-LJQANCHMSA-N 434.564 2.732 0 40 IFAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)NCC(F)(F)F 32911278 GKDXAPGACSVJIL-NSHDSACASA-N 436.431 2.974 0 40 IFAB Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ncn2)n1 35597319 TXSQOHIRMLGFHO-UHFFFAOYSA-N 440.451 2.688 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[C@@H]1C 36512212 PULUHJFNAOMXCH-JFIYKMOQSA-N 427.998 2.587 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4s3)CC2)o1 46776491 OHEYCELZTDDPAP-UHFFFAOYSA-N 448.522 2.818 0 40 IFAB CCOc1ccc(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)cc1 49002226 KLRNPRPVBWPKOC-UHFFFAOYSA-N 434.496 2.978 0 40 IFAB COC(=O)COc1ccc(NC(=O)[C@H](C)NC(=O)/C=C/c2ccc(OC)cc2)c(C)c1 58008898 YQHXDAFYTBWXNT-MZTACXPWSA-N 426.469 2.712 0 40 IFAB Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2ccc(Br)cn2)c1C 58306366 OCGFXYGQTNKPPE-UHFFFAOYSA-N 448.321 2.680 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nnc(C2CCCCC2)s1 61718813 BDULLGRGDPJOLM-HNNXBMFYSA-N 443.577 2.840 0 40 IFAB Cc1ccc(NC(=O)NC[C@@H]2COC(C)(C)O2)cc1NC(=O)NC[C@@H]1COC(C)(C)O1 84186111 LAJGAPUAKVIKJB-HZPDHXFCSA-N 436.509 2.541 0 40 IFAB C[C@H]1CN(C)C[C@H](C)N1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 95440473 JMTUGGAQWNWTJQ-RYUDHWBXSA-N 441.903 2.578 0 40 IFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)C1 95989518 MGZUDMOBPAESAS-SJLPKXTDSA-N 431.489 2.573 0 40 IFAB O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@H]1CCCO1 96115147 OQATXAZXDGQCGD-MRXNPFEDSA-N 428.492 2.870 0 40 IFAB biogenic CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)NCC3CCCCC3)CC2)O1 96144748 NHFGSJQPSQXAKB-LJQANCHMSA-N 431.581 2.635 0 40 IFAB CCN1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)c1cccc(N(C)C)c1)CC2 96230361 DRECKTBNQZQGQD-UHFFFAOYSA-N 435.572 2.800 0 40 IFAB Cc1cc(CN2CCC3(CC2)O[C@H](C(=O)NCc2ccccn2)Cn2ccnc23)oc1C 96243864 GGMRXXFOSIDNAR-NRFANRHFSA-N 435.528 2.694 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96263158 ZOFFRKFZQAADJH-GOSISDBHSA-N 427.480 2.567 0 40 IFAB COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1OC 106213798 BZYJITTWENPWEU-TXPKVOOTSA-N 440.443 2.973 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 138597985 VCNDFULHTLFTBR-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1 219257671 MQSYETGLESAPQB-UHFFFAOYSA-N 446.554 2.824 0 40 IFAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 219287053 WONCTAIFECTXMB-QGZVFWFLSA-N 444.962 2.996 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220897304 PRYCGVDRGCJOGP-HNNXBMFYSA-N 435.509 2.989 0 40 IFAB Cc1ccccc1-c1noc(CN(C)C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)n1 223374938 QUDNNBWKMZSBLX-UHFFFAOYSA-N 446.504 2.604 0 40 IFAB COc1cc(N2CCC(C)CC2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226014047 HMCAFMDLXFOJJM-UHFFFAOYSA-N 429.546 2.979 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 226517087 QJUQTUHYQBIKIC-FAWSICGHSA-N 443.455 2.864 0 40 IFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 408701635 BIIKMVQTIJESMI-QGZVFWFLSA-N 431.514 2.609 0 40 IFAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409379095 VJKFYBVLVKDUQS-KRWDZBQOSA-N 435.484 2.814 0 40 IFAB C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 545477354 LOGJAMIBLZLMFL-ZDUSSCGKSA-N 427.302 2.921 0 40 IFAB Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)cc1 585283513 RLKJQPSAUONFGL-VWLOTQADSA-N 444.547 2.608 0 40 IFAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccccc3Br)CC2)n1 1889138793 AXZSWWXHGZCXJL-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB O=C(c1cccc(F)c1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1334993 BOHXSMMWFNPYRR-KRWDZBQOSA-N 432.459 2.722 0 40 IFAB COc1cc(NC(=O)c2nc3nccc(C)n3n2)c(OC)cc1NC(=O)c1ccccc1 3423350 WNUVVWFPXJJQOF-UHFFFAOYSA-N 432.440 2.955 0 40 IFAB COCCNc1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)s1 3428661 ZXQZDYZZLIYTTR-UHFFFAOYSA-N 428.337 2.659 0 40 IFAB O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1)NCc1ccco1 4400668 GWWJCJFDILTHHV-UHFFFAOYSA-N 426.498 2.800 0 40 IFAB O=C(O)COCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5439268 DORJYBWBIUTDHC-GOEBONIOSA-N 438.505 2.777 0 40 IFAB biogenic,in-vitro Cc1ccc(-c2cc(NC(=O)COC(=O)Cn3nc(-c4ccccc4)oc3=O)on2)cc1 9050946 NOLFTUJGLOCUGN-UHFFFAOYSA-N 434.408 2.649 0 40 IFAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O 9509450 UMJIUDZVHOLPIB-HXUWFJFHSA-N 435.933 2.948 0 40 IFAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9514261 OVYNTCKBYXRCSR-DEOSSOPVSA-N 439.487 2.966 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c1C 9986944 NAUJPBXMXILREK-OAQYLSRUSA-N 449.410 2.669 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cn3nc(C)c(C)c3C)CC2)cc1C 10233301 ODYWKMXNEFCXFL-QGZVFWFLSA-N 432.590 2.594 0 40 IFAB Cc1nc(NC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)sc1C 12085941 ZEKOATFVYGILTL-LRTDBIEQSA-N 428.514 2.618 0 40 IFAB Cn1ccnc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 12525157 HWHMJBIRKOSSAJ-UHFFFAOYSA-N 428.967 2.979 0 40 IFAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 12664661 KYQVHRZPGOQRRW-UHFFFAOYSA-N 441.491 2.790 0 40 IFAB biogenic COc1cc(OC)c(C2=CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)c(OC)c1 12768122 KQURBDZIXQRCKT-UHFFFAOYSA-N 425.485 2.539 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)C[C@H](C)O1 12854451 JBBQHJJPCZKZMD-ROUUACIJSA-N 428.554 2.946 0 40 IFAB O=C1CN(C(=O)COc2ccc(Br)cc2Cl)C2(CCCCC2)C(=O)N1 12896324 ZBYHDOHGQYCSOR-UHFFFAOYSA-N 429.698 2.669 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)c1C 12940907 VFJLMICMTZACDO-IBGZPJMESA-N 436.574 2.644 0 40 IFAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C[C@@H](C)O1 12989288 NKJIZXGPCKTTOV-IYBDPMFKSA-N 446.507 2.844 0 40 IFAB C[C@H]1CN(C(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)C[C@@H](C)O1 13131830 UFXIZVWOEISXKD-OWCLPIDISA-N 425.558 2.852 0 40 IFAB Cc1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1Cl 13146287 QZUZMKDCPQFRDE-VXGBXAGGSA-N 427.284 2.959 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)NCCc1ccc(O)cc1 13575319 ASZJJKQORGRDMC-ZDLGFXPLSA-N 426.450 2.516 0 40 IFAB Cc1cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2c3c(c(=O)oc2c1)CCCC3 13593453 OHLQITNMDPWQLN-UHFFFAOYSA-N 442.493 2.645 0 40 IFAB COc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 13669065 ZBLSKXMTXBMRCX-UHFFFAOYSA-N 445.585 2.982 0 40 IFAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 15440105 LRIOSWOZIBXAFN-UHFFFAOYSA-N 426.922 2.636 0 40 IFAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)NC(=O)NC12CC3CC(CC(C3)C1)C2 15982310 KDEJULSJVLSORJ-DUXPYHPUSA-N 426.469 2.766 0 40 IFAB CN(CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 17840640 CJZKDTOQXOQQAC-GOSISDBHSA-N 433.549 2.869 0 40 IFAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 18287028 PGVYIIWDSOEZLN-ZDUSSCGKSA-N 431.470 2.914 0 40 IFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c1=O 22725398 YLWHJQOKWRZIRK-UHFFFAOYSA-N 429.860 2.699 0 40 IFAB O=C(COc1ccc2ccccc2c1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134527 QGQJGRPHQFXPLF-UHFFFAOYSA-N 446.486 2.678 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1C 28210212 KBYGPJACZJMLHZ-PXNSSMCTSA-N 444.553 2.821 0 40 IFAB CN(C)C(=O)[C@H]1CN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c2ccccc2O1 32810488 NKMYHLINBRURQA-OAQYLSRUSA-N 446.507 2.619 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 32931861 PISHXLOLDXGJTR-JOCHJYFZSA-N 427.464 2.678 0 40 IFAB COC(=O)[C@H](Cc1ccc(OC)c(I)c1)NC(=O)OC(C)(C)C 34173487 ZKEGIIYHOVXZKD-LBPRGKRZSA-N 435.258 2.909 0 40 IFAB in-vitro COc1ccc2[nH]c3nc(SCC(=O)N4CCN(c5ccccc5)CC4)nnc3c2c1 35312240 LLXYLQSIMDLLQP-UHFFFAOYSA-N 434.525 2.956 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1cc(-c2cccs2)n[nH]1 36653116 RSEGXLKYARNIKF-UHFFFAOYSA-N 445.508 2.523 0 40 IFAB COc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCN(C(C)=O)CC2)o1 39404204 ZYTARWJWCNDZPY-UHFFFAOYSA-N 441.509 2.852 0 40 IFAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 40390663 KZORVGXKHXXASI-LJQANCHMSA-N 443.507 2.960 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)cc1 48988425 LGRWIFHLFPMBNM-UHFFFAOYSA-N 425.872 2.965 0 40 IFAB O=C(O)Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)s1 49600866 QMRHIJSYSDEQAF-UHFFFAOYSA-N 448.488 2.901 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1OC 57428842 XPPXSBLSWISULK-UHFFFAOYSA-N 437.477 2.870 0 40 IFAB COc1ccc(C(=O)N[C@H]2CCN(C3CCCCCC3)C2)cc1S(=O)(=O)NC1CC1 58244239 GVEXJPOPASXNNS-SFHVURJKSA-N 435.590 2.663 0 40 IFAB COc1ccc(-c2cnc(CN3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)o2)cc1 60105752 CTJWEXZXUXSMBU-QFIPXVFZSA-N 435.480 2.977 0 40 IFAB Cc1nc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)sc1C(=O)N(C)C 61984102 HBSGYDYLKKWEMK-LLVKDONJSA-N 431.543 2.713 0 40 IFAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O 72308710 NMTXQZCODOMEJM-CVEARBPZSA-N 444.619 2.959 0 40 IFAB Cn1ccnc1C[C@H](NC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 84331590 IBPYUSMTJVRHOF-SFTDATJTSA-N 434.496 2.627 0 40 IFAB C[C@H](CCN1CCN(C(=O)c2cccs2)CC1)N1CCN(C(=O)c2cccs2)CC1 84637247 PPRQEODLOQWFPL-GOSISDBHSA-N 446.642 2.804 0 40 IFAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 95347393 BYKKGBNZQFIPFJ-MRXNPFEDSA-N 435.553 2.788 0 40 IFAB CC(C)N1CCN(c2ccc(C(=O)Nc3cn(C)cc(Br)c3=O)cc2)CC1 95467896 YKCJUJMWDSPLIQ-UHFFFAOYSA-N 433.350 2.931 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1nccs1)CC2 96036918 HJVNBSIWHRQZCA-UHFFFAOYSA-N 443.598 2.773 0 40 IFAB CC(C)CN1CC2(CCN(Cc3cnn(C)c3)CC2)COc2ccccc2S1(=O)=O 96037153 BZRMOTZMDJDENR-UHFFFAOYSA-N 432.590 2.742 0 40 IFAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC(F)(F)F)cc2)o1 96116678 VPJRLWAWUHFYAG-OAHLLOKOSA-N 427.375 2.933 0 40 IFAB CCS(=O)(=O)N(CC(=O)n1cc(C(=O)OC)c2ccccc21)c1ccc2c(c1)OCO2 222606495 CUOIIOWTKIMDMV-UHFFFAOYSA-N 444.465 2.653 0 40 IFAB CCN1CCN(C(=O)c2ccc(CN(CC)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 224466333 YIMNFIQMIZBSNT-UHFFFAOYSA-N 445.585 2.684 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)cc1 224639116 LJBCKDXEBQSNPI-UHFFFAOYSA-N 429.586 2.669 0 40 IFAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224756270 CBBIMZSLCORCBQ-IBGZPJMESA-N 436.505 2.709 0 40 IFAB Cc1ccc(C2(CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CCOCC2)cc1 225093554 WBJMTJCZZVRXPM-UHFFFAOYSA-N 442.537 2.675 0 40 IFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)n[nH]1 225564260 BHGNOIMYDOXABH-UHFFFAOYSA-N 438.435 2.726 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 257202159 AKSVWSCHJCFCPY-BJKOFHAPSA-N 437.584 2.972 0 40 IFAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 408602747 IWBVFIBLBWAASK-LJQANCHMSA-N 445.585 2.737 0 40 IFAB CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408661969 PBEVCHMTCKXSHL-KMNYTQEUSA-N 432.904 2.877 0 40 IFAB CN(CCNC(=O)C1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1)Cc1ccccc1 607707586 CUJDRCKUWQWUPM-UHFFFAOYSA-N 447.539 2.837 0 40 IFAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(-c4cnco4)cc3)cc2)C1 615954174 XSQVSDXTGUZJKQ-AWEZNQCLSA-N 427.438 2.580 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccccc1OC 1082149 NFRXXSPDCITWPY-GTVARFKMSA-N 440.546 2.868 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4cccc(Cl)c4)c3[nH]2)C1 1352076 UFHPGJGVCBGPMZ-CQSZACIVSA-N 428.924 2.968 0 40 IFAB CCOc1ccccc1/C=c1\sc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O 2359163 GEDPIMCHCLOJNY-PDGQHHTCSA-N 439.493 2.790 0 40 IFAB COCCNC(=O)c1ccc2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=S)[nH]c2c1 2971432 JDLHVIKBXYYLCT-UHFFFAOYSA-N 443.525 2.695 0 40 IFAB CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 3459088 IUTICRCKDRTXFJ-UHFFFAOYSA-N 441.475 2.918 0 40 IFAB COc1ccccc1/C=C/C=c1/sc2nc(=O)c(Cc3ccc(Cl)cc3)nn2c1=O 3653441 PXWWAIZEUFZWQO-LKIKGXGASA-N 437.908 2.977 0 40 IFAB CCOCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 6195374 IMDLAXHIBPBWBR-UHFFFAOYSA-N 443.935 2.895 0 40 IFAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cccc(-n2cnnn2)c1 8855537 SQTHHZUZEIXIBV-UHFFFAOYSA-N 432.440 2.545 0 40 IFAB CC1(C)Cc2nc3oc4c(=O)n(CC(=O)NCCc5ccccc5)cnc4c3cc2CO1 9242816 SWURSEIGLHOERS-UHFFFAOYSA-N 432.480 2.748 0 40 IFAB COCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 9593899 UWVHMCFILZXESM-MOPGFXCFSA-N 439.541 2.866 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)ccc1C 9662893 HIVJTTJQIGSJJH-UHFFFAOYSA-N 426.516 2.525 0 40 IFAB Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3CCc2ccccc2)n(C)c1=O 9707496 FOHABJNXDYZROA-UHFFFAOYSA-N 448.914 2.554 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(F)c1 9746798 KSCLTWRGNLURDR-MRXNPFEDSA-N 439.534 2.575 0 40 IFAB Cn1c(=O)c2c(nc3n2CCN3c2cccc(OCc3ccccc3Cl)c2)n(C)c1=O 11692397 GWYFANKFPJHJRT-UHFFFAOYSA-N 437.887 2.818 0 40 IFAB COc1ccc(CN(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2cccnc2)cc1 11696071 SUMMSEOEJVHUBL-UHFFFAOYSA-N 425.510 2.944 0 40 IFAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3cc4ncccc4cn3)CC2)c1 12224298 ITESTVADRRLOAF-UHFFFAOYSA-N 428.489 2.697 0 40 IFAB COc1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1S(=O)(=O)N(C)C 12745306 QLARAIHUFULEHN-UHFFFAOYSA-N 432.527 2.645 0 40 IFAB Cn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2sc3c(c2c1=O)CCCC3 13683883 YTHNCGSMAVYLEF-UHFFFAOYSA-N 426.517 2.975 0 40 IFAB CCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 14153525 XTKSSVFJRCMIAP-UHFFFAOYSA-N 438.521 2.963 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCC4)cc1OC 16898173 DTRIOLNNQQGWRI-CYBMUJFWSA-N 427.526 2.884 0 40 IFAB Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 17603557 NDFIJOLJRJZGIN-UHFFFAOYSA-N 448.610 2.988 0 40 IFAB O=C(C1CCCCC1)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)nc2C1 19014712 NMPHDPHLWQKNGM-WOJBJXKFSA-N 442.560 2.880 0 40 IFAB COCCN1Cc2cccc(C(=O)N(C)Cc3nc(C)ncc3-c3cc(C)no3)c2C1=O 19123513 KZGIRFQPBGHTSQ-UHFFFAOYSA-N 435.484 2.623 0 40 IFAB Cc1cc(-c2cnc(N3C[C@H](C)O[C@@H](C)C3)nc2-c2ccc(N3CCOCC3)nc2)on1 19123969 AXYVHQPQIQJNCC-IRXDYDNUSA-N 436.516 2.952 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19741681 KMRCVLROYQKGME-FQEVSTJZSA-N 444.539 2.867 0 40 IFAB COc1ccc2nc(SCC(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)[nH]c2c1 22185724 UZZCCIQFTCHLFH-GOSISDBHSA-N 426.542 2.681 0 40 IFAB O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC[C@@H]1CCCO1 22781870 JLKOOQMDJMQAQR-QFIPXVFZSA-N 429.511 2.967 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22796424 CYICFKJTZOBDPF-HXUWFJFHSA-N 432.927 2.831 0 40 IFAB CCOc1ccc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1OC 24068853 LKBSELBGVWLIKG-QGZVFWFLSA-N 435.546 2.539 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2ccc(-n3cncn3)nc2)nn1-c1ccccc1C(F)(F)F 24887949 RSHAQQQYFLIEBN-UHFFFAOYSA-N 441.373 2.788 0 40 IFAB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4nnnn4-c4ccccc4)CC3)n2)cc1 26599917 CORHMAMVYNNPLI-GOSISDBHSA-N 430.516 2.900 0 40 IFAB O=C(NCc1cccnc1N1CCOCC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 30309944 UTFQSMCVGVRRIE-UHFFFAOYSA-N 446.486 2.964 0 40 IFAB COCCCNC(=O)c1nc(-c2ccccc2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616415 UUWXWLBWIYUXHO-QGZVFWFLSA-N 442.541 2.533 0 40 IFAB CC(C)c1ccc(-n2ccnc2SCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 40062175 IUPUNHSJRSMANE-UHFFFAOYSA-N 436.603 2.628 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 40094224 VKSHNUPXSWTXOS-UHFFFAOYSA-N 429.473 2.909 0 40 IFAB Cc1oc(C(=O)NCCCN2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCC1 48299805 YRWRVHIQORSLCK-UHFFFAOYSA-N 431.558 2.551 0 40 IFAB COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 57531392 COGWKIMLRNQVSL-XEZPLFJOSA-N 432.445 2.731 0 40 IFAB CC(C)[C@@H](C(=O)N1CCC(C(=O)Nc2ccccn2)CC1)n1nnc(-c2ccccc2)n1 60016587 OWLWULCVYWVSKY-FQEVSTJZSA-N 433.516 2.810 0 40 IFAB CN1CCN(C(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 85875997 KYLFKXRYNOYVHL-UHFFFAOYSA-N 441.535 2.738 0 40 IFAB biogenic CC(C)N1CCC(c2cc(O)n3nc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)cc3n2)CC1 100232787 DDKQLJWCWZEBOJ-PMACEKPBSA-N 427.549 2.865 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(F)F 106711384 IJFNMPPRIUXIED-GDNBJRDFSA-N 442.440 2.582 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(F)c(F)c1 135632703 MGDJTRLJKJFOTF-ZSDSOXJFSA-N 444.482 2.919 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220227710 SFTWIMVONQBZPY-ZDUSSCGKSA-N 438.502 2.514 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1cccc(C)c1)S(C)(=O)=O 220527172 YMOSUTUTOQQWFN-HNNXBMFYSA-N 434.543 2.968 0 40 IFAB Cc1c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c(=O)n(-c2ccccc2)n1C 222552192 NTUHYSPFCDGNLT-UHFFFAOYSA-N 440.525 2.667 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc2sncc2c1 222793529 IJBNLFTWWJDWHI-UHFFFAOYSA-N 447.538 2.643 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 223583467 BCHLIVUPMNASGU-GOSISDBHSA-N 435.524 2.925 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1C(=O)NC(C)C 224225045 INXAGMGFEXULPJ-UHFFFAOYSA-N 426.922 2.844 0 40 IFAB COc1ccc(C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)cc1NCc1cccnc1 257237968 HJAZGWJOTFSEFV-RUZDIDTESA-N 445.523 2.757 0 40 IFAB CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4cnc(N)nc4C)CCO3)n2)cc1 257269198 MOZGXOSNUYEERZ-QFIPXVFZSA-N 433.512 2.965 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 409209249 IIKSKTFPPLKNAG-PKOBYXMFSA-N 429.590 2.887 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409371474 WRIFOWWGJMOFAE-GOSISDBHSA-N 435.484 2.896 0 40 IFAB COC(=O)c1cn([C@@H]2CCCN(c3nnc(-c4cc5c(s4)CC[C@@H](C)C5)n3C)C2)nn1 507961003 IDJRTAWYEPXNSC-UKRRQHHQSA-N 441.561 2.888 0 40 IFAB O=C(N1CCN(c2ccc(-n3cncn3)nn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 575609913 BFQKQWPAYKSPEL-UHFFFAOYSA-N 437.935 2.871 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 886659 SWXOXVOZGRLAAO-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB O=C(CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccccc1 1707529 XXBFQFFOOQPZFQ-OAQYLSRUSA-N 427.460 2.649 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1 3291086 GBKBPMPRESNFQA-UHFFFAOYSA-N 428.304 2.935 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc([S@](C)=O)c(=O)cc1[C@H](NC(C)=O)CC2 5574821 WPRGBKZCSCXZNE-XHDOVSQSSA-N 431.510 2.600 0 40 IFAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 6090206 IOFNRAMYRPDAKX-UHFFFAOYSA-N 437.949 2.851 0 40 IFAB CCn1nc(C(=O)O[C@H](C)C(=O)Nc2cc(OC)ccc2OC)c2ccccc2c1=O 8806687 QBASMCPSKBCGIP-CYBMUJFWSA-N 425.441 2.618 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3ccccc3c2)C1=O 9385561 QOGVWJXBUAJSRJ-RUZDIDTESA-N 444.491 2.544 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)cc1 9410332 QKRCWRKDPXSVFS-UHFFFAOYSA-N 437.606 2.521 0 40 IFAB COc1cc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 9424106 JXZQIGXJDRXDNU-AWEZNQCLSA-N 425.528 2.603 0 40 IFAB CN1CCN(c2ccccc2NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 9670167 OUJNXAYISVTGLO-JOCHJYFZSA-N 442.585 2.620 0 40 IFAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 10256100 OLSSCKOKCWQHJM-NRFANRHFSA-N 441.553 2.569 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)NCc4ccccc4Cl)[C@H]3C2=O)cc1C 10272695 GXOALLXTRNDFFN-RTBURBONSA-N 425.876 2.566 0 40 IFAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1Cl 12004622 RNZOHKRNLLAECZ-UHFFFAOYSA-N 444.962 2.757 0 40 IFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)[C@@H]2CCOC2)C1 12156774 YPJLJTXREKSYLX-HFJQGTKSSA-N 432.492 2.917 0 40 IFAB COc1ccccc1-n1c(=O)n(CC(=O)N2CCCCCC2)c(=O)c2c(C)cc(C)nc21 12446418 APRFOUKZPXUOPZ-UHFFFAOYSA-N 436.512 2.575 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 12543420 RKOFYVMSUUMOPP-FQEVSTJZSA-N 435.977 2.992 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCc2c(C)nc3nc(SC)nn3c2C)CC1 12564227 CBSCFFYPOLCHHT-UHFFFAOYSA-N 440.573 2.753 0 40 IFAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c12 12798389 HPKDSXORBGHOGF-UHFFFAOYSA-N 440.525 2.696 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnnn2-c2cccc(Cl)c2)sc2c1CCC2 12811168 SKEFTCUMEZBMGS-UHFFFAOYSA-N 434.934 2.696 0 40 IFAB CC1=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)N2C=C1 12880228 XWFULUMEKSHGCG-RUZDIDTESA-N 434.540 2.937 0 40 IFAB CC1(C)CCc2c(cc(OCC(=O)NCCCC(=O)O)c3c4c(c(=O)oc23)CCC4)O1 12890404 QWFREOFWFFDHSG-UHFFFAOYSA-N 429.469 2.745 0 40 IFAB biogenic O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 12891408 KRMUSJBFIHWDDU-PSELDJGJSA-N 441.531 2.851 0 40 IFAB O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12927029 DOHZNAFAUGKFBD-OAHLLOKOSA-N 449.479 2.765 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 12948165 LYJOMASJZHVERQ-BLLLJJGKSA-N 430.432 2.517 0 40 IFAB CCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nnc1-c1cccs1 13117658 FDQLYOZXCXHOFH-UHFFFAOYSA-N 448.574 2.651 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 13127204 HQCCXVNYFSZQFR-UHFFFAOYSA-N 437.452 2.591 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccnc3)C2)cc1Cl 13567109 KYNVAJFNUKDLGN-INIZCTEOSA-N 437.949 2.851 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 14070731 OGVNXPVGZIUUMT-UHFFFAOYSA-N 425.441 2.688 0 40 IFAB Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1 16668865 NEDYUNJDIALGHZ-UHFFFAOYSA-N 425.470 2.960 0 40 IFAB COc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)cc1 16954045 JHDVNXXYJFQFBF-UHFFFAOYSA-N 434.496 2.963 0 40 IFAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1 19240583 QUYFINVRZFYIBV-UHFFFAOYSA-N 434.496 2.517 0 40 IFAB O=C(Nc1nccs1)c1ccc(C2CCN(C(=O)COC[C@H]3CCCO3)CC2)nc1 19705823 UNJQNOJCPAXLDY-QGZVFWFLSA-N 430.530 2.692 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930214 BFKBGYGRKAZVSX-UHFFFAOYSA-N 440.905 2.769 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OCC 22960567 GBLCDXSOLQPENO-UHFFFAOYSA-N 434.514 2.757 0 40 IFAB O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O 25233655 ZGZYVGBFWANMBW-CQSZACIVSA-N 431.473 2.782 0 40 IFAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2n1C 27489037 LTDSECZBJCUHQJ-DEOSSOPVSA-N 444.535 2.756 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)NC[C@H](c1cccs1)N1CCCC1 27606091 KFSCRHHTEZWABG-GFCCVEGCSA-N 426.336 2.787 0 40 IFAB COc1cc(C(=O)O[C@H](COCCC(C)C)CN2CCOCC2)cc(OC)c1OC 31771397 YOKPRDAUBGOISU-SFHVURJKSA-N 425.522 2.633 0 40 IFAB in-man CC(C)[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cccs1 32858301 SZUUCWOEEAHUKW-KRWDZBQOSA-N 438.600 2.888 0 40 IFAB Cc1ccc2nc(Nc3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)nc(C)c2c1 36235547 NEBNMZPFMAXPMF-UHFFFAOYSA-N 444.499 2.676 0 40 IFAB CCn1cnnc1SCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 36392662 ZTRDQDYBHGGYNU-UHFFFAOYSA-N 437.591 2.982 0 40 IFAB CCCCNC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O 57503234 UDXNMJXIOXSRSL-UHFFFAOYSA-N 426.864 2.783 0 40 IFAB COc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1S(=O)(=O)N(C)C 60129516 YBCYYXSBWZCVGB-UHFFFAOYSA-N 439.331 2.911 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccccc3OC(F)(F)F)n2)n1 70655946 BZQCIHFZUXZLRO-AWEZNQCLSA-N 435.406 2.822 0 40 IFAB COc1cccc(N2C[C@H](C(=O)N3CCC(n4c(=O)oc5ccccc54)CC3)CC2=O)c1 72347862 MAUVMVSSDJAWPE-MRXNPFEDSA-N 435.480 2.820 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 103513630 LETHFPKVHTZPFC-UAFMIMERSA-N 435.867 2.946 0 40 IFAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)CC1 108111305 YCDNHCKDMDXBCR-UHFFFAOYSA-N 431.558 2.647 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1OCC(=O)O 205728561 FGWAUXZKZLFTMK-AWNIVKPZSA-N 443.861 2.800 0 40 IFAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218096569 TXNPCUZOXBUYCO-IPJJNNNSSA-N 432.542 2.857 0 40 IFAB CCOc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1OCC 218787871 RDPFGBANLMUVKP-NRFANRHFSA-N 448.541 2.718 0 40 IFAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 220438719 FJMAPCFDVGVLLC-NSHDSACASA-N 437.345 2.560 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1 220490698 FQUKRLYCWLQBJZ-AWEZNQCLSA-N 432.477 2.655 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 223352117 YEJIHRIVMKOJKM-UHFFFAOYSA-N 433.555 2.795 0 40 IFAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244906 ZIQUPUBEDNZMBN-FQEVSTJZSA-N 434.558 2.906 0 40 IFAB COc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 224420087 YJOUVPFEKBRETQ-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCOc1ccccc1 225104138 JIFOFWHMCGBNES-UHFFFAOYSA-N 446.569 2.998 0 40 IFAB O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 306138341 RVFKEFGKCGWNJA-HYBUGGRVSA-N 438.503 2.882 0 40 IFAB Cc1c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cnn1-c1ccc(O)nn1 505784761 PHPXNZLGMQZDGA-UHFFFAOYSA-N 449.515 2.743 0 40 IFAB CCN(C)C(=O)c1cccc(S(=O)(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 564102698 PUHDCVFTABYYIQ-QFIPXVFZSA-N 434.533 2.533 0 40 IFAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1cc(OC)ccc1OC 575617057 WOBVMJMVBONGCN-BSLALVQMSA-N 447.509 2.609 0 40 IFAB C[C@]1(O)CN(Cc2ccc(OCCN3CCNC3=O)cc2)CC[C@@H]1Oc1cccc(F)c1 585272138 GMMXGMVSHOFCSH-UPVQGACJSA-N 443.519 2.634 0 40 IFAB C[C@]1(c2cccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)c2)NC(=O)NC1=O 618005801 LYJDJTWDVXKYEP-GOSISDBHSA-N 434.330 2.859 0 40 IFAB O=C1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)CCN1 620902136 ZEKZGOXSPXPAJX-UHFFFAOYSA-N 429.402 2.915 0 40 IFAB CN(C(=O)[C@@H]1C[C@@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2)c1cccc(F)c1 2056225887 DWDLPANZUPSIPM-KXBFYZLASA-N 440.397 2.662 0 40 IFAB O=C(C1CCC1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334685 AONZOJJZWIFUMG-OAHLLOKOSA-N 426.908 2.722 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)c(=O)[nH]c2c1 6148987 BJZOKVJGTYDAHH-GHTZIAJQSA-N 438.532 2.524 0 40 IFAB CCOC(=O)c1sc(=N)n(-c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1C 6154620 BLSKWFDLJJAVJA-UHFFFAOYSA-N 447.542 2.711 0 40 IFAB COc1cc2c(c3oc(=O)c(CCC(=O)N(C)CC(=O)N(C)C)c(C)c13)CCC(C)(C)O2 8765307 RFUFOAQFELJEIU-UHFFFAOYSA-N 444.528 2.693 0 40 IFAB biogenic COc1ccccc1CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 9708130 LLDVOPJCGAJYPT-NRFANRHFSA-N 433.508 2.867 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1 9746774 OTZYVXBEQBLKHL-MRXNPFEDSA-N 439.534 2.575 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)Nc1ccc(OC)cc1OC 9892517 GQHXQCRPIKDASM-UZLBHIALSA-N 442.512 2.959 0 40 IFAB C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NCC(=O)NC1CC1 10087599 PQXXYOWABZAYFN-LBPRGKRZSA-N 442.566 2.668 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(OC)nc3)cc2)cc1 10989990 VOYZZTGHRMCVKF-UHFFFAOYSA-N 427.482 2.830 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 12662059 DOLWFAQJRSQZTQ-KSFYIVLOSA-N 440.452 2.901 0 40 IFAB biogenic O=C(NCc1cccc(NC(=O)C2CC2)c1)NC[C@@H](c1cccs1)N1CCOCC1 12757563 MHXYZWLHBRAVFJ-IBGZPJMESA-N 428.558 2.969 0 40 IFAB CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 13056414 JUOAHBVWFLKXGO-UHFFFAOYSA-N 447.523 2.707 0 40 IFAB CCOC(=O)[C@@H]1[C@@H]2c3ccccc3C=NN2[C@@H](C(=O)OCC)[C@H]2c3ccccc3C=NN12 13660338 UEGOQIIYBYDIQE-COPRSSIGSA-N 432.480 2.645 0 40 IFAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 19376194 OFVFTOOQRLSWDS-RBUKOAKNSA-N 429.524 2.967 0 40 IFAB O=C(c1ccc(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)nc1)N1CCOCC1 19705788 QTHYWYJSQMDPMM-UHFFFAOYSA-N 437.525 2.579 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 19739446 LGMFXWWXXSMYGF-QGZVFWFLSA-N 446.548 2.933 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ncc1C(=O)N1CCOCC1 19764145 RRFAHJDNFAMDLM-SFHVURJKSA-N 445.523 2.825 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 20006833 HWBAKNFLBKWPFR-IBGZPJMESA-N 428.510 2.803 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 20044432 MGQQJRPMIWLNIV-INIZCTEOSA-N 442.541 2.660 0 40 IFAB COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)NCC23CC4CC(CC(C4)C2)C3)=C1 20220006 XSCGKTBYLWZNEH-UHFFFAOYSA-N 443.569 2.891 0 40 IFAB O=C(COC(=O)CSc1nc2ccccc2o1)Nc1ccc(N2CCOCC2)cc1 23030009 PJMFVDISEMQAPW-UHFFFAOYSA-N 427.482 2.938 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 23539521 BUFDONXBKQAGCU-UHFFFAOYSA-N 428.441 2.722 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(C)cc3C)C2)cc1 24388823 UGOFZTFWNOSYQX-LJQANCHMSA-N 446.569 2.908 0 40 IFAB CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](NC(=O)c1ccccc1F)C(C)C 32579299 IANQMUQCDPLCPC-GOSISDBHSA-N 449.552 2.515 0 40 IFAB O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)CCC2 32739196 AQDIWFPZFVFJSK-UHFFFAOYSA-N 434.583 2.828 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)ccc21 32898935 AYFWAMYGHDEXOS-UHFFFAOYSA-N 442.537 2.840 0 40 IFAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCN(S(C)(=O)=O)CC3)cccc2c1=O 32906095 AEKPBCFMBQMJKL-UHFFFAOYSA-N 440.521 2.876 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 32908032 AKCKCIMSZIJFHT-QGZVFWFLSA-N 425.457 2.729 0 40 IFAB CCC(CC)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 32915567 CVMOWRBXDNNUKH-QFIPXVFZSA-N 443.569 2.714 0 40 IFAB CCOC(=O)CN(CC(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 32915661 NYRYRODACLMJQD-INIZCTEOSA-N 444.981 2.788 0 40 IFAB Cn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc2cc(S(N)(=O)=O)ccc21 32946582 MOHIYHWRLBUBCS-INIZCTEOSA-N 430.555 2.507 0 40 IFAB CCCCn1c(CCC(=O)NCC(F)(F)F)nc2cc(S(=O)(=O)N(C)C)ccc21 36093542 RWZZPVRYTGRPMO-UHFFFAOYSA-N 434.484 2.698 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1cc(F)ccc1F 40478001 VHUVVGYNRRTRQP-UHFFFAOYSA-N 430.802 2.607 0 40 IFAB CCOc1ccccc1NC(=O)Cn1nc2c(Oc3cccc(OC)c3)nccn2c1=O 49008402 BUJXLTNRNLBLHG-UHFFFAOYSA-N 435.440 2.729 0 40 IFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(C(=O)O)cc1 61717556 CJPFPOQKPQJINY-UHFFFAOYSA-N 442.269 2.687 0 40 IFAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccc(C(F)(F)F)c1 70933445 AGHKMUGRQFYGBO-UHFFFAOYSA-N 427.448 2.931 0 40 IFAB CSc1ccc([C@H]2NC(=O)N(CC(=O)NCc3ccc(C)cc3)C3=C2C(=O)OC3)cc1 71326821 RRSZAHVCFCTPGQ-OAQYLSRUSA-N 437.521 2.911 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 78965388 KDUCHSBYTHXGIL-ROUUACIJSA-N 438.528 2.728 0 40 IFAB O=C1NCCc2ccc(S(=O)(=O)N(CCN3CCCC3)Cc3ccc(Cl)cc3)cc21 79108154 LVGBMEJSRAYBNB-UHFFFAOYSA-N 447.988 2.913 0 40 IFAB C[C@H]1CN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@@H](C)O1 84706242 XIPZRANJHIAQPA-SVMVAKDDSA-N 439.556 2.766 0 40 IFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1cc(C(=O)O)c(C)o1 95970414 JJCYKSZCOFKZCI-GOSISDBHSA-N 434.514 2.562 0 40 IFAB Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(c1cnn(C)c1)CCN2CC1CC1 96230336 UXQWHSHTCDMBDW-UHFFFAOYSA-N 427.574 2.524 0 40 IFAB COC(=O)c1cncc2cc(I)n(S(=O)(=O)c3ccccc3)c12 96321343 NEBSGIOKKBTRAO-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H]3[C@H](C)C(=O)C[C@@H](c5ccco5)N3C(=O)[C@H]24)c1 100786015 SOLPERFSTZHDQZ-WAIMSAQNSA-N 448.475 2.728 0 40 IFAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C1=O 102247426 CGBZMHQRCFCXFU-LJQANCHMSA-N 429.904 2.817 0 40 IFAB COc1cccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 224009506 OLTFPTIYZWNFET-CQSZACIVSA-N 426.922 2.698 0 40 IFAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224263839 PISJZBGWIBOWRP-HXUWFJFHSA-N 434.558 2.906 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2CN2CCCC2)Oc2ccccc21 224781280 CCLDKZYZVWTUGM-QFIPXVFZSA-N 443.569 2.516 0 40 IFAB Cc1noc(-c2ccn3c(CNC(=O)Cc4ccccc4Br)nnc3c2)n1 225745942 WKNJYCCPJVOEON-UHFFFAOYSA-N 427.262 2.709 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCCN1CCCCC1)NC2=O 247927549 DYVVCCMTIVNOEC-ODNSNXTGSA-N 427.545 2.552 0 40 IFAB CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(-c4ccc(C(=O)NC)nc4)cc(C)n3)C2)o1 257298088 RKBVTMCWJAKMHY-HXUWFJFHSA-N 449.511 2.884 0 40 IFAB Cc1nc(C(=O)N2CC[C@]3(CCn4ncnc4[C@@H]3NC(=O)Nc3ccccc3)C2)cs1 306130750 JOKIRXKNDSFLRX-UWJYYQICSA-N 437.529 2.842 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 408655705 LUJLKVULJGCZFV-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 409074556 MWLSOKUMEYQWBV-UGZWPXFQSA-N 444.259 2.510 0 40 IFAB CC[C@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC 409194650 QBKLJCVZTYSHEA-SZUMLMDFSA-N 430.242 3.000 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 409392264 QSONOXDVTUPVBH-HXUWFJFHSA-N 428.554 2.989 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H](Oc2ccncc2)C1 575611643 FHAINLLEIJLUAI-HXUWFJFHSA-N 429.542 2.940 0 40 IFAB O=C(NC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Br)cc1 1064802 NHVZXZZUXMPHEW-TZMCWYRMSA-N 432.343 2.745 0 40 IFAB COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc2nsnc12 1885219 PSIFBTXHMAQQPG-UHFFFAOYSA-N 430.515 2.884 0 40 IFAB C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 3456557 JWNPOKLTBRBDBL-YJBOKZPZSA-N 426.494 2.930 0 40 IFAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 6577242 XFCXXJFUWKEXKR-UHFFFAOYSA-N 434.540 2.641 0 40 IFAB aggregator Cc1ccc(C)c(-n2cnnc2SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 9220702 DAWWYMOBLARQOZ-GOSISDBHSA-N 448.614 2.935 0 40 IFAB COc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nnc(C)s2)n1C 9304111 MEHGTQBVAGJUIK-LLVKDONJSA-N 434.547 2.990 0 40 IFAB Cc1cc(C)cc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c(c2=O)SCC3)c1 9602800 IXAKEORFVDVIAW-INIZCTEOSA-N 431.583 2.885 0 40 IFAB COCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 9713515 UJCBCJKHLLRPCM-UHFFFAOYSA-N 428.514 2.716 0 40 IFAB Nn1c(COc2ccccc2F)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 9963988 AWULMWJLOSSCQD-QGZVFWFLSA-N 427.505 2.996 0 40 IFAB COc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccc(OC)c(OC)c4)n3n2)cc1 11693934 NUUDUQMERAYXRO-UHFFFAOYSA-N 449.467 2.626 0 40 IFAB CCc1n[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)n1 11716593 FSPVFQFAPMHZKW-KBPBESRZSA-N 437.591 2.765 0 40 IFAB CCOc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 12072096 UHWCGCILNOGEPG-UHFFFAOYSA-N 431.496 2.778 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4nn(CC)c(=O)c5ccccc45)C3)cc2n1 12134666 MKWFCNFYPPEJCX-HNNXBMFYSA-N 446.511 2.747 0 40 IFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 12568352 PPRRLQOQRHGKKG-DHLKQENFSA-N 449.507 2.665 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccccc1Br)c1ccc(F)cc1 12575499 PXMFWMKOVPBTIN-SFHVURJKSA-N 445.292 2.957 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc2c1CC[C@@H](C)C2 12770725 QFWQBNZGCCNYMC-OAHLLOKOSA-N 443.573 2.600 0 40 IFAB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S[C@@H](C)c3nc(C)no3)nc2c1 12821164 STKRGEKADTWOBE-SMDDNHRTSA-N 430.486 2.907 0 40 IFAB O=C(CCCCCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccc(C(=O)O)cc1 12941179 DELSIYKUKBXNRF-UHFFFAOYSA-N 440.468 2.818 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cnn(-c4ccccc4)c3)CC2)s1 16146816 AHMNGSMGCUVLFG-CMDGGOBGSA-N 442.566 2.789 0 40 IFAB CC(C)(C)Nc1c(C2CCN(C(=O)C[C@H]3SC(=O)NC3=O)CC2)nc2ccccn12 19083129 FWWKHSHZDFWQDF-CQSZACIVSA-N 429.546 2.992 0 40 IFAB O=C(c1cccs1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19337578 QAZITFKTGBFUOV-SFHVURJKSA-N 449.536 2.792 0 40 IFAB Cc1cc(C(=O)NCC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)c(C)o1 19567707 ZVAHJGHCOIVRTH-HXUWFJFHSA-N 433.468 2.538 0 40 IFAB CN1CCC(c2nc(O)cc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)CC1 19588234 DARUVBWBTFFIOW-INIZCTEOSA-N 434.537 2.699 0 40 IFAB COCCC(=O)N1CCC(c2nc([C@@H]3CCCN(Cc4ccsc4)C3)cc(=O)[nH]2)CC1 19593107 PETYYABMWKJZPP-LJQANCHMSA-N 444.601 2.954 0 40 IFAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 19689335 SDELHYTXTPZEKY-IBGZPJMESA-N 429.952 2.859 0 40 IFAB CC(=O)NCc1ccc([C@H]2CN(Cc3c(C)nc4sccn34)C[C@@H]2C(=O)N(C)C)cc1 19698744 DWTVAOHMJLNVNJ-UXHICEINSA-N 439.585 2.644 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)nc2c1CN(C(C)=O)CC2 19710408 RVWBQWMCAUNWMK-OAQYLSRUSA-N 442.608 2.597 0 40 IFAB O=C(CCN1CCOCC1)N1CCC(c2ccc3c(NCc4ccccc4)n[nH]c3n2)CC1 19745174 QGRDXOYKPFPTPR-UHFFFAOYSA-N 448.571 2.998 0 40 IFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 19756491 RUIWILZSMXFIGT-FQEVSTJZSA-N 442.535 2.839 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1C 20008636 NECDVEUEZVEUPB-NRFANRHFSA-N 439.537 2.605 0 40 IFAB CCOC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 20150685 OLYMSKIHWOMGRD-VDNWNZSNSA-N 446.500 2.924 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 20244352 BKBSQPRZFNVSRL-GOSISDBHSA-N 449.573 2.509 0 40 IFAB CN1CCN(CN2C(=O)[C@@](O)(CC(=O)c3ccc4ccccc4c3)c3ccccc32)CC1 20414349 IBBHEKRWZBXGJQ-AREMUKBSSA-N 429.520 2.852 0 40 IFAB O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 22637545 MCXSJEOEILOBCB-BQYQJAHWSA-N 431.445 2.640 0 40 IFAB CN(Cc1ccccc1)C(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22915166 DGCZDBQBFQBTDL-UHFFFAOYSA-N 448.489 2.920 0 40 IFAB NC(=O)Cn1c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc2c1=O 23935663 HUZRYUQEFYBEFO-OAHLLOKOSA-N 433.537 2.871 0 40 IFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 24761166 CHDDOQBFQAKASW-KDOFPFPSSA-N 443.978 2.517 0 40 IFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 24870085 DXMJSDPLMTZQAK-LJQANCHMSA-N 446.507 2.813 0 40 IFAB CCOc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1OC 24986941 ZNASOMHLEZVDEM-SFHVURJKSA-N 428.485 2.626 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc(C(C)=O)c2)cc1C 28210037 GPPLJVLFIBUDBG-SFHVURJKSA-N 430.482 2.525 0 40 IFAB CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NC[C@@H]5CCCO5)cnc4c3cc2CO1 32074531 GKBVDDIHZIJTGV-RCDICMHDSA-N 442.541 2.543 0 40 IFAB NC(=O)c1c(SCC(=O)Nc2ccc(F)c(Cl)c2)sc2c(O)cc(=O)[nH]c12 40266598 GXBINFKSIUIBNM-UHFFFAOYSA-N 427.866 2.917 0 40 IFAB COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 44802655 RVYVVMZYMZCVNQ-SFHVURJKSA-N 448.541 2.503 0 40 IFAB O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 58062239 JHNXFLXCVYNZER-UHFFFAOYSA-N 441.329 2.611 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC(F)F 71850223 DLCJADDWWDPIDM-CYBMUJFWSA-N 446.497 2.828 0 40 IFAB Cc1nc(C2CCN(C(=O)C[C@H]3CCCO3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 72371163 COJOYFJBIIDGHQ-HXUWFJFHSA-N 449.555 2.935 0 40 IFAB COCC(=O)N1CCc2c(nc3cc(C4CCN(C[C@@H]5CC=CCC5)CC4)nn3c2O)C1 100232750 BZBBCEFWWLIVAI-QGZVFWFLSA-N 439.560 2.502 0 40 IFAB c1ccc(-c2nnn(C34C[C@H]5C[C@@H](CC(c6nc7c8cn[nH]c8ncn7n6)(C5)C3)C4)n2)cc1 102643339 FLGNIEGUMAQBTA-XIOXLVNTSA-N 438.499 2.901 0 40 IFAB O=C(C1=NN[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12)c1ccc2ccccc2n1 107287807 RIJCPJYQLUYCDK-WMZOPIPTSA-N 438.365 2.954 0 40 IFAB Cc1nonc1CN(C)C(=O)[C@@]1(C)CCCN(C(=O)c2cccc(Cn3ccnc3)c2)C1 257316509 VFXDTZRQACERGJ-QHCPKHFHSA-N 436.516 2.524 0 40 IFAB CN(C)c1ncc(-c2ccc3c(c2)CCO3)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257332988 XZOXIQWQZOECRY-IBGZPJMESA-N 432.528 2.747 0 40 IFAB CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306128780 HKGAYZMTQAKJJD-URXFXBBRSA-N 433.560 2.611 0 40 IFAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C[C@@H](C(=O)N(C)Cc1ccccc1)O2 306136312 PPSWAYOZKWZAQR-DEOSSOPVSA-N 449.595 2.888 0 40 IFAB O=C(c1cncc(Br)c1)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 390827389 GTRCGFLGEJADNV-UHFFFAOYSA-N 435.303 2.798 0 40 IFAB Cc1cccc(C)c1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O 408622136 AYMIDYSALXZXLG-MDWZMJQESA-N 441.597 2.927 0 40 IFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(Br)c2)C1=O 409202386 SEWKNVWCWSVEPT-ZROIWOOFSA-N 443.319 2.647 0 40 IFAB O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 532266110 XMDNWFVUBYESJF-TXTKFYIRSA-N 429.524 2.749 0 40 IFAB Cc1c(C(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cnn1-c1ccccc1 575614720 CMTUFJJGMAILID-UHFFFAOYSA-N 434.422 2.572 0 40 IFAB CN(C)CCOc1cccc(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)c1 585284700 ZAVAEJFTWZCLJI-QHCPKHFHSA-N 436.499 2.548 0 40 IFAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)NCc1ccc(Cl)cc1 1547201297 XXQLRPUFNBDEBN-UHFFFAOYSA-N 432.267 2.656 0 40 IFAB O=C1CCCN1CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3CNCC[C@@H]32)cc1 1848356977 FFGQIFJTHQQBJP-HJOGWXRNSA-N 433.552 2.906 0 40 IFAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4)C3)C2)c1 2056225490 OPQFAJWKQSCBQR-FYYLOGMGSA-N 432.467 2.650 0 40 IFAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2396915 RPBZKTAZJKNGOG-UHFFFAOYSA-N 428.470 2.855 0 40 IFAB CNC(=O)c1ccc(NC(=O)COc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1 2418381 ZAPJETBEYQNSCT-UHFFFAOYSA-N 442.475 2.978 0 40 IFAB COc1ccccc1NC(=O)COC(=O)CSc1nnnn1-c1cc(C)ccc1C 2651367 QQCIIRJKBGWNQL-UHFFFAOYSA-N 427.486 2.562 0 40 IFAB Cc1cc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1Br 2658366 AQJSCOXPJUCONO-SUMWQHHRSA-N 427.320 2.693 0 40 IFAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C1 8840404 UZTUTGQJOIOLDV-UHFFFAOYSA-N 444.962 2.857 0 40 IFAB O=C(O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 8878379 JHSZVPSWWXBWCY-MRXNPFEDSA-N 437.901 2.633 0 40 IFAB NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8928322 PZWUHFAYVLUBDC-HNNXBMFYSA-N 447.900 2.977 0 40 IFAB Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nnc1SCC(=O)Nc1nccs1 9031150 GSOKTIVIRNTPQE-UHFFFAOYSA-N 440.913 2.976 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@H]3CCCO3)ccc2C)cc1 9139064 OIUTVWNZPVTYTF-LJQANCHMSA-N 446.525 2.556 0 40 IFAB Cc1ccsc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9223391 UFJPBZQNUQMJJI-AATRIKPKSA-N 448.566 2.764 0 40 IFAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9284311 APMKGXUTHNOVPS-UHFFFAOYSA-N 435.933 2.883 0 40 IFAB CC1(C)NC(=O)N(CC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)C1=O 9284717 MGNDATZGGXTAEV-UHFFFAOYSA-N 425.466 2.690 0 40 IFAB CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CCCc2ccccc2)CO1 9410509 USFXDEWQKGPAFJ-UHFFFAOYSA-N 428.510 2.793 0 40 IFAB Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@H]2c1cccnc1 9422487 UPVFYRHVRHXCBE-HXUWFJFHSA-N 435.919 2.751 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 9741201 NNWJBMAVZHYBOV-MRXNPFEDSA-N 427.525 2.843 0 40 IFAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 10034923 TZZNVNBRFWRKMC-UHFFFAOYSA-N 447.557 2.591 0 40 IFAB O=C(c1cccnc1SC(F)F)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375619 FQXDSWKADTWHAK-UHFFFAOYSA-N 427.498 2.979 0 40 IFAB O=C(NCCc1nnc2ccccn12)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 11547132 LCOFGIQGXXUXRV-UHFFFAOYSA-N 439.472 2.642 0 40 IFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(OC)c1 12561805 ZXYBHXTWLFKETA-HUUCEWRRSA-N 434.514 2.754 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C(F)(F)F)CC2)cc1 12948230 OJPOXNTXWLXIEE-UHFFFAOYSA-N 442.459 2.926 0 40 IFAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H]1CCCO1 12981735 DHAZPJRAMYHICX-IUODEOHRSA-N 436.361 2.577 0 40 IFAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccccn2)CC1 13061560 PBVDUTOMDDTYJL-UHFFFAOYSA-N 427.508 2.657 0 40 IFAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3ccc(OC(F)(F)F)cc3)oc(C)c12 13108734 RNXSGDFIRCVFKZ-UHFFFAOYSA-N 425.319 2.827 0 40 IFAB CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 13944664 IFKJVSQVHPOUGU-HNNXBMFYSA-N 427.530 2.894 0 40 IFAB Cc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 14271456 LDULLNSFCAURGK-UHFFFAOYSA-N 441.538 2.908 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1cncn1-c1ccc(F)cc1 19354576 KNQHZQJLZVNIIF-UHFFFAOYSA-N 426.404 2.774 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc(OC)c1OC 19549527 VKJFRDAMSYMBOU-QGZVFWFLSA-N 436.468 2.835 0 40 IFAB COC(C)(C)C(=O)N1CCO[C@H](c2c(C(=O)NCCN(C)C)sc3ccccc23)C1 19697713 GAWXFUUSEDHDAR-INIZCTEOSA-N 433.574 2.518 0 40 IFAB COCCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)C3)C1 19744249 WMEGZINTNNPCMH-GOSISDBHSA-N 438.528 2.625 0 40 IFAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)c1 19751045 IWWMKRIKSKZVQO-SFHVURJKSA-N 438.509 2.929 0 40 IFAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 22159559 FAWNQMGKPJTWFQ-CYBMUJFWSA-N 435.274 2.881 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4C)no3)C2=O)c1 23126516 PECZLSSFVGRJFR-MOPGFXCFSA-N 448.439 2.556 0 40 IFAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCCC2 24574588 JWUDIHVFZJRIKT-UHFFFAOYSA-N 441.597 2.530 0 40 IFAB O=C(CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCCC1 25217283 DGNKQEKAEDZDKQ-OAQYLSRUSA-N 434.584 2.786 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1S(=O)(=O)N1CCCCC1 25372237 LNHABYQWYBSYSV-UHFFFAOYSA-N 426.535 2.620 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1 29095504 PFOGFHLDUYKFMQ-LFIBNONCSA-N 445.560 2.759 0 40 IFAB CS(=O)(=O)Cc1ccc(C(=O)O[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 32667901 UAJFOTYVKDVKAC-LJQANCHMSA-N 447.484 2.749 0 40 IFAB Cc1cccc[n+]1[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C(=C=N)C#N)N[C@@]1(O)C1CC1 33385431 XYKRUTFELYKHCC-GMKZXUHWSA-N 441.471 2.694 0 40 IFAB O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 36394647 ITSNDZGXCKWRID-SFHVURJKSA-N 446.548 2.538 0 40 IFAB COc1ccc(-c2cc3c4nn(CC(=O)Nc5cccc(C)c5)c(=O)n4ccn3n2)cc1 38487536 BEEKROFOQITKQQ-UHFFFAOYSA-N 428.452 2.766 0 40 IFAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(C)cc(Br)c3O)CC2)nc1 58406519 CJJQMHPGNALTIX-UHFFFAOYSA-N 448.317 2.997 0 40 IFAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 65578530 VIUPDTAMCAJPCK-ZDUSSCGKSA-N 438.600 2.673 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(F)cc4F)c(=O)n3c(C)n2)cc1 67226552 YILAUOPKADLFGI-UHFFFAOYSA-N 425.395 2.792 0 40 IFAB CCOc1ccc(-n2ccn(CC(=O)Nc3cccc(Br)c3)c(=O)c2=O)cc1 67256061 PIQLWCWMWRPTRC-UHFFFAOYSA-N 444.285 2.799 0 40 IFAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)N[C@H](Cc1ccccc1)c1ccccc1 69808709 CQQXUXKAPAMMCF-WOJBJXKFSA-N 438.553 2.943 0 40 IFAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1nc2ccccc2n1C 72312001 OEVJRAORONEKLN-GFCCVEGCSA-N 433.434 2.566 0 40 IFAB CCOc1ccc(CN2CCc3nc([C@@H]4CCCN4C(C)=O)nc(NC)c3C2)cc1CO 72372402 GEHHNYQEDFGXFE-NRFANRHFSA-N 439.560 2.651 0 40 IFAB Cn1c(=O)n(C)c2cc(CN3CCC[C@@H](c4ncc(Cl)cc4S(C)(=O)=O)C3)ccc21 72394310 ZLLRSBKIRGJHFE-OAHLLOKOSA-N 448.976 2.709 0 40 IFAB O=C(CSc1nc2ccccc2s1)N1CC(c2nc(-c3ccc[nH]c3=O)no2)C1 77099614 SVEHCNVDJQCNCZ-UHFFFAOYSA-N 425.495 2.753 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccc(OC)cc1 96521173 LKLWRJWCYCTCOY-QWRGUYRKSA-N 449.104 2.647 0 40 IFAB COc1c2c(cc3c1[C@@H](C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)N(C)CC3)OCO2 100747842 SKNFOVSLASWEPF-NSHDSACASA-N 427.297 2.832 0 40 IFAB biogenic CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223562319 JJZLGANFASJQSV-IBGZPJMESA-N 445.585 2.623 0 40 IFAB Cc1cccc(OCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 223661575 OGSPCEVTJZAPKC-UHFFFAOYSA-N 430.448 2.975 0 40 IFAB CC(C)CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)s1 224372756 PWHOZRNUAJXYRT-UHFFFAOYSA-N 436.610 2.923 0 40 IFAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225095362 FEVGWAUVTKAVSU-HBMCJLEFSA-N 439.556 2.661 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1C 225595621 UVBPOVGYKPRGHI-UHFFFAOYSA-N 428.507 2.728 0 40 IFAB CN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 226020491 KGAPXOHIYVWSRH-UHFFFAOYSA-N 449.960 2.764 0 40 IFAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCN(CCOc2ccccc2)CC1 230477469 FHCYDKJEABUKAD-UHFFFAOYSA-N 427.545 2.528 0 40 IFAB COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245229800 FXGOZSQZXFQEMS-ZGPJWRFFSA-N 430.551 2.863 0 40 IFAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)Cn4nc(C)nc4C)CCO3)c2)c1 257331991 XVFVRZSPXHVFKB-QHCPKHFHSA-N 435.528 2.798 0 40 IFAB CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257342071 ZMYJKZNBGNNVQY-RFXJPUKYSA-N 443.588 2.783 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 260740911 ALLZUHRFTDDIQT-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB CC(C)(C)c1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260890494 DKZRTIGDXRIIFX-SFHVURJKSA-N 432.542 2.706 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 408558181 IRLQMKYKGLTXKT-INIZCTEOSA-N 446.525 2.896 0 40 IFAB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1cccc(F)c1 409389262 GWTDXAXVEBEUAC-UHFFFAOYSA-N 440.504 2.744 0 40 IFAB CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cccc(F)c4)CCOCC3)CCN2C)c1 585261928 WBGJNSKMUSSHPG-JOCHJYFZSA-N 439.531 2.749 0 40 IFAB CCn1ncc2c1CCC[C@@H]2NC(=O)CCCC(=O)N[C@H]1CCCc2c1cnn2CC 673952509 HUKLGQQPAXBGEL-OALUTQOASA-N 426.565 2.977 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc(Cl)cn1 2621751 WNRARTCHRMRSCW-UHFFFAOYSA-N 449.872 2.602 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 2662527 REBIACRSALOIJD-IBGZPJMESA-N 448.928 2.626 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 2664145 QXEDOFKNJHMJFO-CYBMUJFWSA-N 439.921 2.950 0 40 IFAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)ccc12 2712330 NKIFXFAIBIOAQV-AWEZNQCLSA-N 438.436 2.699 0 40 IFAB COCCn1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCc2ccccc21 6441984 ZIEFFCWMSLXSBT-JOCHJYFZSA-N 430.512 2.930 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 8218164 PMOGPVPJWXUHJI-HNNXBMFYSA-N 425.485 2.835 0 40 IFAB C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3Cc2c(F)cccc2Cl)n(C)c1=O 8725394 CMNWPRQQLDAJDT-SNAWJCMRSA-N 430.871 2.661 0 40 IFAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)C1=O 8752072 KDSOKXDQDDTZKQ-APBUJDDRSA-N 449.558 2.767 0 40 IFAB O=C(CNC(=O)c1ccccc1I)OCC(=O)c1cccs1 8825063 FTOPSRCTTJZIMP-UHFFFAOYSA-N 429.235 2.509 0 40 IFAB O=S(=O)(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(Cl)s1 9378497 CGKNRZPHNLGRSM-UHFFFAOYSA-N 443.978 2.876 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)on2)c1 9442807 OXJKPNDPMZCBEU-UHFFFAOYSA-N 443.481 2.994 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)COc1ccc2c(c1)CCC2 9450837 ZKEZHKJXUVHNJY-UHFFFAOYSA-N 430.888 2.848 0 40 IFAB COc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 9584966 LZNYHUWVISAYBV-UHFFFAOYSA-N 443.880 2.866 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 9986637 CPMDJFUTIYUKDJ-XDHUDOTRSA-N 431.496 2.825 0 40 IFAB COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@@H]1c1ccccc1 10273520 HCLBLZWEXYRKSY-OAHLLOKOSA-N 426.903 2.656 0 40 IFAB CC(C)c1cc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)c2cnn(C(C)C)c2n1 10706893 SUDJPIBRMPUTST-UHFFFAOYSA-N 429.546 2.854 0 40 IFAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 11365316 DROUPXXPDNUSLZ-SJORKVTESA-N 431.562 2.721 0 40 IFAB Nc1nc(SCC(=O)Nc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 12033468 JWUPZVPHWSOKDK-UHFFFAOYSA-N 449.414 2.753 0 40 IFAB COc1ccc(OC)c(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 12219498 ZQDBHTMQFGVKIS-GOSISDBHSA-N 437.544 2.964 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c2ccccc2)C1 12235994 DXDPFLNMENHIAT-RTBURBONSA-N 432.517 2.778 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nccn1-c1ccc(OC)cc1)n2C 12530892 FPQHOBOLWYJTCR-UHFFFAOYSA-N 440.529 2.710 0 40 IFAB COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 12985318 FNZYWRTXOOCAHH-KRWDZBQOSA-N 448.566 2.683 0 40 IFAB CC(C)[C@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCOCC1 13015066 YFUHICZZEHCLJM-QFIPXVFZSA-N 435.524 2.569 0 40 IFAB C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14242201 HZXFTRMLWJWNDX-MGPLVRAMSA-N 439.453 2.871 0 40 IFAB COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 14324363 ZCOQDXZIWRAMDU-MGPUTAFESA-N 446.525 2.642 0 40 IFAB CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1 15826170 QTFFEJOYOQRHNK-UHFFFAOYSA-N 441.509 2.947 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 16121946 MZQQXHNVKSFLIT-UHFFFAOYSA-N 426.564 2.781 0 40 IFAB COc1ccc2c(CC(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)coc2c1 17912403 AKONXETVKWJWLR-UHFFFAOYSA-N 437.496 2.918 0 40 IFAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)N4CCOCC4)C3)cc2N1 19083382 IWUIBFAVCNQEDC-HYVNUMGLSA-N 443.514 2.865 0 40 IFAB CNc1cc([C@H]2CCCNC2)nc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)n1 19709987 GRYXHIASANSUTQ-NRFANRHFSA-N 436.604 2.823 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccccc1OC)S(C)(=O)=O 22252380 AIWFMDWRDXYHOI-AWEZNQCLSA-N 436.530 2.989 0 40 IFAB O=C(CN1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1)Nc1ccc(F)cc1 22783365 MZWDYKQIUQKVOK-UHFFFAOYSA-N 442.510 2.712 0 40 IFAB C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(CC(=O)N2CCCC2)CC1 22914511 STVQUEHPEKRLFJ-CQSZACIVSA-N 444.910 2.508 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@H](c2nnc3ccccn23)C1 24457855 VYXYHLMHJWBYKI-PMACEKPBSA-N 429.524 2.977 0 40 IFAB O=C1CCc2cc(OCC(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)ccc2N1 24759590 GRRHXLKFMRYCCG-UHFFFAOYSA-N 435.461 2.916 0 40 IFAB O=C(Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1)N[C@@H]1CCS(=O)(=O)C1 31813413 FPXUHFMGQJZFBI-CQSZACIVSA-N 430.511 2.857 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1C 35176258 AESDVKXZADLNSY-UHFFFAOYSA-N 441.475 2.666 0 40 IFAB CS(=O)(=O)c1ccccc1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 39995621 UAUPHMGCIJICKP-UHFFFAOYSA-N 427.448 2.856 0 40 IFAB CCOc1ccc(NC(=O)c2sc(-c3ncccn3)nc2C)cc1S(=O)(=O)N(C)C 40146577 OGLLQPKJEGSAOK-UHFFFAOYSA-N 447.542 2.810 0 40 IFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(-c2cccnc2)on1 48368449 ZBCVOBPBYZOTAU-UHFFFAOYSA-N 435.440 2.653 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1OC 67322934 MMPAPAYJYJLQPX-UHFFFAOYSA-N 431.399 2.773 0 40 IFAB CCC(CC)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 72300933 PFGPCJULANCBDK-YKSBVNFPSA-N 439.512 2.701 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(Cc3ccncc3)C2)on1 72338470 LEVSGIYQXXCIFV-HXUWFJFHSA-N 433.560 2.966 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1CN(C)CC2 72372304 ILVRUNAGTVUUNO-HXUWFJFHSA-N 442.608 2.789 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N(CCOC)Cc2ccc(F)cc2Cl)ccc1F 79053548 YOIPKAMNLABPAY-UHFFFAOYSA-N 432.876 2.815 0 40 IFAB O=C(Cc1ccccc1Cl)N1CCN(C(=O)NCCc2cnc(C3CC3)nc2)CC1 89813506 QBYGGUWXINZZGD-UHFFFAOYSA-N 427.936 2.646 0 40 IFAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc2n1CCCC2 89913821 OIKLKPULFPDSBX-KRWDZBQOSA-N 445.589 2.599 0 40 IFAB O=C(CN1CCN(Cc2cccc3cccnc23)CC1)NC[C@H]1CCN(c2ccccc2)C1 95356531 FEINJHGLNAJBMO-JOCHJYFZSA-N 443.595 2.995 0 40 IFAB CN(C)CCOc1cc(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)ccn1 95448403 ICJFSNROCMZAIY-KRWDZBQOSA-N 447.333 2.776 0 40 IFAB COc1cccc(-c2cc(C(=O)N3CCC(S(=O)(=O)Cc4ccco4)CC3)n(C)n2)c1 96099536 FMLMVAUTLAXENQ-UHFFFAOYSA-N 443.525 2.908 0 40 IFAB COc1cccc(C(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N4CCCC4)CN(C)C[C@@H]32)c1 96262430 JWFLUIXJMZYUEX-SQJMNOBHSA-N 425.573 2.882 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2OC)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101165382 OCTOPBDGAYMASL-HKUYNNGSSA-N 441.871 2.954 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3ccc(OC)c(Br)c3)C2=O)cc1 101167064 ODWOKVLCQOARLV-SJORKVTESA-N 445.273 2.960 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@H]21 101169315 LICGIZAKOGILKS-SJORKVTESA-N 433.802 2.859 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(F)cc1 135631717 JEDHHCYDRYHTMK-MRUHUIDDSA-N 426.492 2.779 0 40 IFAB COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220457465 NEMPHZNCQXGYPP-CQSZACIVSA-N 426.485 2.877 0 40 IFAB COCCNS(=O)(=O)Cc1cccc(NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)c1 223236637 DIXPBYKPCLEFLF-UHFFFAOYSA-N 433.505 2.862 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)[C@@H]1CCCC[C@H]1O 223861034 JFWCZPXXCNTHQR-WOJBJXKFSA-N 438.590 2.564 0 40 IFAB Cc1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 224479360 KCOUMXJMPPETAV-LJQANCHMSA-N 438.933 2.679 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 225001603 GWZHIDPBHHQMCS-HXUWFJFHSA-N 435.521 2.846 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1N1C(=O)CCC1=O 225289159 DXHAVNMLKJZGQJ-UHFFFAOYSA-N 439.287 2.912 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCc4ccccc43)C2)cc1 225524849 KCEGIDXPSKFSAP-OAQYLSRUSA-N 441.597 2.965 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 225783831 PSDCBXMLCHUANT-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 229679574 LETHFPKVHTZPFC-NMLBUPMWSA-N 435.867 2.946 0 40 IFAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 257211948 CBFCTVGMHUNDFP-LJQANCHMSA-N 434.566 2.500 0 40 IFAB CCc1noc(CCC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)n1 257226013 FITSTDUMHMMVOP-OAQYLSRUSA-N 434.924 2.781 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)COc3ccc(C)cc3)C2)cc1 260453012 CGYCDNAZGJOKGY-MOPGFXCFSA-N 446.569 2.988 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652370 CJRORNHQLIOVJI-RJYYBVGHSA-N 432.904 2.877 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 408713482 BHCFGMFQXXCIJF-MRXNPFEDSA-N 436.505 2.560 0 40 IFAB CS(=O)(=O)[C@@H]1CCCCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 505131093 VBPNFSHFQLKELH-OAHLLOKOSA-N 447.338 2.749 0 40 IFAB O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccc2nnc(O)n2c1 535011202 DMRBADFWMHMONC-UHFFFAOYSA-N 444.419 2.939 0 40 IFAB CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 1611219919 FYTZIRRXWRTRAQ-KRWDZBQOSA-N 427.892 2.999 0 40 IFAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(-c4ccccc4OC)n3C)nc2c1 2651191 NBCCAYGEQNTWFB-UHFFFAOYSA-N 437.481 2.806 0 40 IFAB Cc1noc(C)c1CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 3356328 DAOZHBVKRNTFKJ-UHFFFAOYSA-N 436.515 2.655 0 40 IFAB COc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 4355831 CXGLSFLQANIMIU-UHFFFAOYSA-N 448.527 2.749 0 40 IFAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccc(F)cc4)CC3)N2)cc1 8758250 YWCLTHXCJLXWJU-NRFANRHFSA-N 437.519 2.954 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O 8792074 XXAATMWWTYYOLI-ZVZYQTTQSA-N 429.521 2.596 0 40 IFAB biogenic COc1ccc(NC(=O)CSc2nc3c(-c4ccc(F)cc4)cnn3c(=O)[nH]2)cc1 9106569 NQOICINEHKNSJF-UHFFFAOYSA-N 425.445 2.963 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2cc(C)ccc2O)n1C 9426858 DLYNXPYGZWIJKI-UHFFFAOYSA-N 441.513 2.750 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCCC1 9511917 IEERDQHPPLXIGW-UHFFFAOYSA-N 428.507 2.810 0 40 IFAB Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(F)cc3F)[nH]c2=O)cc1 9518131 JBZTWDUZCDQVGV-UHFFFAOYSA-N 445.451 2.922 0 40 IFAB O=C(CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1)NC[C@H]1CCCO1 9600143 OYZVXANEEUJUFH-CYBMUJFWSA-N 442.950 2.596 0 40 IFAB COc1ccc(CNC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc1OC 9748945 RKLGVJZGYFGPBH-UHFFFAOYSA-N 446.305 2.618 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1Cl 10332657 SFOJIBNTFYTURO-NSHDSACASA-N 426.878 2.840 0 40 IFAB Cc1nc(S[C@@H](C)C(=O)N(C)c2ccccc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525577 MGBILXCZAPRQQT-AWEZNQCLSA-N 441.557 2.598 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 10718618 NPEHRSNPFUZKTO-IBGZPJMESA-N 442.947 2.740 0 40 IFAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085976 GYXQSEYLYMNZTD-SSOJOUAXSA-N 432.524 2.524 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)c1 12443563 LQOXLGRICZTDBB-UHFFFAOYSA-N 446.554 2.733 0 40 IFAB Cc1nnc(SCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)n1-c1ccccc1 12638217 NTQVICVMHQYBJI-UHFFFAOYSA-N 449.580 2.947 0 40 IFAB Cc1ccc(-c2csc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)c(C)c1 12775705 OWPXJIVWOWLPEG-AWEZNQCLSA-N 446.554 2.531 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccc(CN4CCCC4)cc3)ccc21 12847158 BUESDNBFBZVLSU-UHFFFAOYSA-N 427.570 2.925 0 40 IFAB C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 12870632 MZNQXQXJESRYON-QAPCUYQASA-N 428.558 2.981 0 40 IFAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 12882842 FGWIRGNEJNSCEJ-KDOFPFPSSA-N 429.464 2.946 0 40 IFAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)cs1 13003336 VVNGQONMTGNYKD-QFIPXVFZSA-N 432.549 2.920 0 40 IFAB COCCCN(C(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13134491 ZNGSIYGTNROQBT-UHFFFAOYSA-N 442.903 2.504 0 40 IFAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1S(=O)(=O)NC1CCCC1 13165035 RNFCQZZUFREQQI-KRWDZBQOSA-N 435.546 2.542 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1)[C@H]1CCCO1 13516923 SSNLAAFOOCTZLD-WOJBJXKFSA-N 444.509 2.754 0 40 IFAB CC(C)N1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccccc2)C1=O 13692316 QUUBSASSOJPLST-UHFFFAOYSA-N 431.514 2.693 0 40 IFAB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Nc1cccc(C(=O)NC2CC2)c1 14705838 GXNALKAGDOHEHT-OAQYLSRUSA-N 438.480 2.932 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(S(C)(=O)=O)cc1 15478163 BBLMIKQIDYETOK-UHFFFAOYSA-N 425.304 2.563 0 40 IFAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 15858438 CATNKFMZJMGPLE-LLVKDONJSA-N 438.889 2.922 0 40 IFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 16455941 MJHIKBFZFATHKA-HSZRJFAPSA-N 440.475 2.713 0 40 IFAB COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@@H]3[C@@]2(O)C(F)(F)F)n1 16957620 GUGKDIFGPJWWEK-YVEFUNNKSA-N 427.404 2.976 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1 17045048 HUIQEZPEAKRUCY-BJKOFHAPSA-N 442.519 2.819 0 40 IFAB biogenic O=C(c1ccco1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 19349750 HJBNHKCEDJTHOG-CQSZACIVSA-N 438.875 2.829 0 40 IFAB COc1ccccc1-c1ccc(C[C@@]2(C(=O)N(C)C)CCN(C(=O)Cn3cncn3)C2)cc1 19580041 LJAHARJGYRBYHB-VWLOTQADSA-N 447.539 2.503 0 40 IFAB Cc1cccc2[nH]c(C(=O)N3CCc4nc(N)c(C(=O)NCc5ccccn5)cc4C3)cc12 19701155 OHSYSVCJFAYSNJ-UHFFFAOYSA-N 440.507 2.977 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 19756137 ZWSOMBUBXVIDIU-SFHVURJKSA-N 444.557 2.946 0 40 IFAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)CN1CCOCC1)COC(C)(C)C3 20622796 HLVWMHQYLGLLRC-UHFFFAOYSA-N 433.530 2.595 0 40 IFAB COc1cccc(C(=O)N2CCN(c3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)c1 21884414 GTEXDRVHMIYEHZ-UHFFFAOYSA-N 447.520 2.789 0 40 IFAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCN(C)CC2)o1 22938371 HJMCLFSENYHGPU-GOSISDBHSA-N 436.350 2.834 0 40 IFAB COc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1S(=O)(=O)N(C)C 23228878 ALXXUEUBWFNNSI-GOSISDBHSA-N 434.514 2.756 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 23254168 JEVKUKFTRHHVMN-QGZVFWFLSA-N 436.984 2.614 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N[C@H](C)c1ccc(Cl)cc1)C2=O 23653767 HDPZUJWZXDGGJP-YZGUTLMUSA-N 435.908 2.561 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)c3ccccc3)CC2)o1 24864444 NSECRVRBNMYDGU-UHFFFAOYSA-N 434.514 2.910 0 40 IFAB CCOC(=O)c1ccc(OC[C@@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 24989117 FCCPIVRWJFRDOU-KRWDZBQOSA-N 427.478 2.965 0 40 IFAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1=O 32753658 OPKCJLDEIHZISN-UHFFFAOYSA-N 427.530 2.755 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC 36594906 YQDYWYLIQHDLLL-GMVOTWDCSA-N 430.505 2.672 0 40 IFAB biogenic C[C@@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)NCc1ccc(Cl)cc1 36692659 WLFQGLHFXWVWNZ-CYBMUJFWSA-N 447.948 2.788 0 40 IFAB CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 40013349 INUSQJVFCHNDER-GFCCVEGCSA-N 437.495 2.694 0 40 IFAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(-n2cncn2)nc1 40107041 HABCSSQPQBZHFG-OAHLLOKOSA-N 448.430 2.800 0 40 IFAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c12 40143360 XSEXEIWFRJVIDT-UHFFFAOYSA-N 441.557 2.950 0 40 IFAB Cc1ccc(CNC(=O)C2CCN(C(=O)CCS(=O)(=O)C3CCCC3)CC2)cc1F 40154754 HKFJHNWQZMNJDE-UHFFFAOYSA-N 438.565 2.736 0 40 IFAB C=Cc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 49402769 DRIZOEYQLUJPMS-UHFFFAOYSA-N 445.928 2.949 0 40 IFAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)N1CCCCCC1 56949779 UDCOVUXAKJVNAX-UHFFFAOYSA-N 425.529 2.743 0 40 IFAB O=c1ccc(-c2cccs2)nn1C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 72335423 CCFRUVJCVCZVEQ-UHFFFAOYSA-N 443.510 2.534 0 40 IFAB O=C(CN1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1)N1CCCC1 72356001 CYFWVHBDRDCXNW-QGZVFWFLSA-N 427.570 2.785 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2)[C@H]1CCCO1 77192076 UWQPYTJUCIEVSJ-CQSZACIVSA-N 445.925 2.800 0 40 IFAB Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 89669146 HYLUSFAUFBQDJC-SQJMNOBHSA-N 435.524 2.778 0 40 IFAB CC(C)[C@H](C(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@H](C)C2)cc1)N1CCCC1=O 95460266 GMDLLBWOFMZYRL-YOSAUDMPSA-N 429.605 2.959 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c(C)c1 95463380 XKTFOTTWPFQAED-UHFFFAOYSA-N 430.593 2.635 0 40 IFAB CC1(C)C[C@@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)CCO1 95473249 KRBCPYPKTBOXHA-AAEUAGOBSA-N 435.322 2.752 0 40 IFAB COc1ccc(CNC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(C)cc3)nc2)cc1 223381302 RRZJWILJMIBAIQ-UHFFFAOYSA-N 440.525 2.544 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)CC1 224191044 QRZRODCDZWZOSD-UHFFFAOYSA-N 445.541 2.734 0 40 IFAB COc1cccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(C)(=O)=O)c1 224653794 OCJUNBPPAPUJCQ-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4ccccc4C)no3)ccc21 225700149 QFZBOAPPQMRJER-UHFFFAOYSA-N 430.511 2.920 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@H]3[C@H]4C=C[C@@]5(CN(C(C)C)C(=O)[C@H]35)O4)CC2)nc1C 248167231 PCNUZSSDYQQJGY-YDSTWLSQSA-N 443.569 2.551 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)C1 248322805 WZKRWHFOROLCRA-WZEDNDSJSA-N 426.513 2.743 0 40 IFAB COc1ccc2c(c1)C=C(CN1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 257264258 LTPZJOKDCITNOI-QHCPKHFHSA-N 431.496 2.979 0 40 IFAB C[C@H]1CCCN(CCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 260793339 IMBOOWSVAMWXPH-INIZCTEOSA-N 431.549 2.749 0 40 IFAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)OC)C1=O 408534735 UIYBASMXMWXYRC-KMHUVPDISA-N 437.470 2.625 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1 408605116 MQYQQYQHOSMDDM-HSZRJFAPSA-N 438.549 2.944 0 40 IFAB CC(C)c1cccc2c(=O)c(C(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c[nH]c12 524732172 ANKGDPWSVSRYSJ-MSOLQXFVSA-N 446.551 2.662 0 40 IFAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)CCN1C(=O)C[C@@](C)(c3ccccc3)C1=O)CC2 524733827 STLLMGUWLRXQDC-DFBJGRDBSA-N 436.508 2.914 0 40 IFAB Cc1cc(C(=O)N2CCCCC3(CO)CCN(CC3)C(=O)c3ccccc3OCC2)n[nH]1 643575344 PSJXFQSXNFMIDN-UHFFFAOYSA-N 440.544 2.638 0 40 IFAB O=C(c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2)N1[C@H]2CC[C@H]1CC(O)C2 643585048 YPJDWHMNXSHHEA-GOTSBHOMSA-N 436.552 2.904 0 40 IFAB C[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1158893091 XDBVEAOAVYTDSX-JTQLQIEISA-N 433.299 2.692 0 40 IFAB COC(=O)c1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)o1 1539395563 UNXGSZISFOLWHO-QPJJXVBHSA-N 426.425 2.685 0 40 IFAB O=C(CCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 2630035 WIMQCYQWVSFMIB-UHFFFAOYSA-N 435.473 2.667 0 40 IFAB CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CC1 9255682 QOHQKCSHCJHGCN-UHFFFAOYSA-N 439.541 2.597 0 40 IFAB Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cc(Br)ccc4O)nc32)c1 9407968 GWTBSADCWOZZBP-UHFFFAOYSA-N 440.257 2.651 0 40 IFAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H](C)O1 9492259 STSYDKZAZRNIJR-HZSPNIEDSA-N 434.890 2.900 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccnn1Cc1cccs1 9764506 YSOUUVHPBYUYPQ-QFIPXVFZSA-N 435.509 2.715 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2F)c(C)c1 9806365 JQYRDTHSGDFVGO-QGZVFWFLSA-N 447.532 2.659 0 40 IFAB Cc1c(NC(=O)c2cccc(NC(=O)c3cnn(C)c3)c2)c(=O)n(-c2ccccc2)n1C 9875332 GRLFZVKKXDMYTK-UHFFFAOYSA-N 430.468 2.723 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)cc1 10187765 DRDCLPDDPNXCNC-UHFFFAOYSA-N 435.864 2.589 0 40 IFAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccc(OC(F)F)c1 10446416 BIAGGTBBHKHZER-UHFFFAOYSA-N 431.439 2.895 0 40 IFAB O=C(CS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1 11666514 OQVZCFJEAVWMIK-UHFFFAOYSA-N 447.351 2.772 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)c1 11795886 JMTLJANYTWLPDN-OAHLLOKOSA-N 435.527 2.920 0 40 IFAB Cc1cc(-c2cn[nH]c2C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)on1 12087326 QBUUPYDJAKFWSI-UHFFFAOYSA-N 430.486 2.713 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCC[C@@H]1c1cccs1 13031636 POHYVSVFKUBAFJ-LJQANCHMSA-N 449.598 2.853 0 40 IFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1OC 13032208 BTQKQKUHNARMIX-CMDGGOBGSA-N 446.481 2.729 0 40 IFAB C[C@@H](NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)c1cc2ccccc2o1 13128789 DGIRDFKFEIPPJX-HXOBKFHXSA-N 449.507 2.736 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)C[C@@H](C)O1 13147643 ACFQZPGSKMZZEV-GASCZTMLSA-N 432.498 2.508 0 40 IFAB O=C(CSc1nnnn1C1CCCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13406419 XMSRRQLDERHOAS-KRWDZBQOSA-N 428.518 2.564 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 13631941 ILQKQWZIKANOMV-UHFFFAOYSA-N 434.514 2.581 0 40 IFAB Cc1cccc(N(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)S(C)(=O)=O)c1 13679033 LFOAMAQGHCOMNL-UHFFFAOYSA-N 426.542 2.978 0 40 IFAB CCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1-c1ccccn1 14110953 DRZFLHCAMXLHJP-UHFFFAOYSA-N 431.547 2.558 0 40 IFAB COc1ccc(-c2cc3ncn(CC(=O)Nc4ccc(C(N)=O)cc4)c(=O)c3s2)cc1 14199726 GSFQASCCKKETRZ-UHFFFAOYSA-N 434.477 2.871 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 15894217 KRMUSJBFIHWDDU-VNAWGFGGSA-N 441.531 2.851 0 40 IFAB O=C(CCC(=O)N1CCN(CCc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1 17246155 BVZDIGHYANPZKU-UHFFFAOYSA-N 441.479 2.663 0 40 IFAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 17908809 IDEFUKWCZNYLJQ-UHFFFAOYSA-N 444.431 2.741 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(NC(=O)/C=C/c3cccs3)c2)CC1 18091311 ONBSIDFCBHKZEP-QPJJXVBHSA-N 425.963 2.990 0 40 IFAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCCC2)CC3)cn1 19214893 VNGMJZZYCFGFCQ-OAQYLSRUSA-N 449.555 2.916 0 40 IFAB CCOC(=O)CSc1nnc(NC(=O)CCN2C(=O)CSc3ccccc32)s1 19295257 PSCOQNCAJYWGJR-UHFFFAOYSA-N 438.556 2.661 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 19471693 QPCUUESIGWRBJD-OAHLLOKOSA-N 446.550 2.856 0 40 IFAB COc1ccc(CN(Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)c(OC)c1 19552160 IRRPSIAGBNSVPY-NRFANRHFSA-N 428.533 2.512 0 40 IFAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 19697507 ADZHPLDYYIFECK-SFHVURJKSA-N 446.555 2.894 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CN2CCCCCC2=O)ncc1C(=O)NCc1ccccc1 19755079 KIRCARHLMIHTJD-OAQYLSRUSA-N 449.555 2.781 0 40 IFAB Cc1ncc(CN2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)s1 19762268 UWPLENSLEDESEQ-OAQYLSRUSA-N 426.542 2.638 0 40 IFAB CC(=O)Nc1ccc(OCc2noc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 20745117 BQJONJUUOGNLIB-UHFFFAOYSA-N 439.447 2.709 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 22522380 CBIDETPQZDKEGN-UHFFFAOYSA-N 434.489 2.793 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907328 JEPSNODYKJPTPN-FQEVSTJZSA-N 447.491 2.540 0 40 IFAB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2)Nc1ccccc1 22909221 JNTGCECYUSGCDJ-UHFFFAOYSA-N 442.585 2.575 0 40 IFAB O=C(Nc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1)c1ccco1 26536931 CVWMQMDPYNXHAK-UHFFFAOYSA-N 428.470 2.897 0 40 IFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)c1cc2cc(Cl)ccc2[nH]1 27263539 BVLLIXUWKWKDQQ-UHFFFAOYSA-N 449.916 2.545 0 40 IFAB O=C(c1ccc(F)cc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29304201 RQWCPXYHTRAMAX-UHFFFAOYSA-N 445.292 2.554 0 40 IFAB O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC(c2nc3ccccc3o2)CC1 29869418 VTZMWDXPHQUZBD-UHFFFAOYSA-N 431.452 2.581 0 40 IFAB O=C(NCc1cccnc1-n1ccnc1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 29908632 SWVRAQKCRFEKJZ-OAHLLOKOSA-N 440.301 2.699 0 40 IFAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCCN3CCCCC3)n2)cc1 31813929 WZAIYJSGJBPDJL-UHFFFAOYSA-N 438.484 2.793 0 40 IFAB O=C(NC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1)c1ccccc1 32901043 BQALEEFDLYUNBU-UHFFFAOYSA-N 447.582 2.567 0 40 IFAB CSCC[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 32904022 ICJHWPJNBNCYFW-TXPKVOOTSA-N 442.585 2.909 0 40 IFAB CCN(C(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 34867976 HLXVCLGTBGSJTO-QGZVFWFLSA-N 448.614 2.551 0 40 IFAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN1CCN(c2ncccn2)CC1 34878624 XGCLJHUZSDYYQI-UHFFFAOYSA-N 431.562 2.674 0 40 IFAB O=C(CN1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1)Nc1ccc(F)cc1 35361606 QLSIEXZKGXXNAS-UHFFFAOYSA-N 443.504 2.653 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(C)=O)c(O)n2)cc1 35377943 XTULWIWSBPJDAD-UHFFFAOYSA-N 425.470 2.942 0 40 IFAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36353274 XBMMKEWWGPGDJR-GOSISDBHSA-N 435.452 2.543 0 40 IFAB Cc1nn2c(nnc3c(=O)n(NC(=O)COc4ccccc4)ccc32)c1-c1ccccc1 40391043 ATWVWVYQYKAODB-UHFFFAOYSA-N 426.436 2.564 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c(C)c1 49409079 AADHZTDPBKHFBB-UHFFFAOYSA-N 431.558 2.833 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 57270855 PALJBXMSOJGLGP-INIZCTEOSA-N 449.548 2.941 0 40 IFAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NCc2ccc(Cl)cc2)c1=O 67235354 YUAYQKQGCJYVOE-UHFFFAOYSA-N 436.899 2.676 0 40 IFAB O=C1CCC(=O)N1CC(=O)N(C[C@@H]1CCCO1)c1nc2c(C(F)(F)F)cccc2s1 77099412 SQDCFALLNHIAHW-NSHDSACASA-N 441.431 2.976 0 40 IFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1)C(=O)O 87492695 CSIAAEDJEWPQTK-OALUTQOASA-N 428.485 2.828 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 89552945 MPNDMXZRNOTEOE-ZBFHGGJFSA-N 439.468 2.577 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CCN([C@H]2CCCC[C@H]2O)CC1 95426524 BMIQLVCFYJIUDX-ZWKOTPCHSA-N 428.360 2.607 0 40 IFAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCCC[C@H]4C)cc32)n1 96267828 SZQRARLTGOMVQE-CRAIPNDOSA-N 431.562 2.785 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 100738859 RDISMJCWHPIYEN-NZSAHSFTSA-N 428.558 2.672 0 40 IFAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 108933032 VGVAXRTZGLQWKJ-UHFFFAOYSA-N 439.497 2.657 0 40 IFAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OCC(=O)O 198081485 DKCJFYNOYZAPDM-SXGWCWSVSA-N 430.869 2.972 0 40 IFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218214962 NUQIJOGDLJPESP-LNLFQRSKSA-N 438.343 2.897 0 40 IFAB N[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218242256 HWWKMWIHOCUIIC-OFQRWUPVSA-N 430.707 2.824 0 40 IFAB C[C@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1cccc(F)c1)S(C)(=O)=O 220491978 DTDJJDDOZNLLCZ-GFCCVEGCSA-N 438.506 2.750 0 40 IFAB CSc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 224323328 WNRDBPQGGWRZCM-INIZCTEOSA-N 434.583 2.963 0 40 IFAB COc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O 224818855 LHBXHRVFAFHRDF-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 225606039 HKKVPMCCDHDKCC-UHFFFAOYSA-N 437.327 2.890 0 40 IFAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 242538726 JDHHXOJISZZKSV-ZVDOUQERSA-N 433.551 2.972 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 248319931 RNLHNQZTFSGCCQ-MIVVTYSHSA-N 426.513 2.743 0 40 IFAB Cc1nonc1CC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257255310 KGZRVBZJTYSBTD-LJQANCHMSA-N 431.880 2.519 0 40 IFAB Cc1nonc1C(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257331073 XRGWLDIJMKUXFK-HNNXBMFYSA-N 443.891 2.746 0 40 IFAB C[C@H](C(=O)NCCCN1CCc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260790710 GTJUBONPIQNHPY-OAHLLOKOSA-N 437.512 2.688 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 408612844 YXXGGRDZSIIRLW-OAHLLOKOSA-N 434.514 2.876 0 40 IFAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)ccc21 409244467 DARQVZAFPVTSDK-RQZCQDPDSA-N 440.456 2.691 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cccc(F)c4)CCOCC3)CCN2C)c1 585261929 WBGJNSKMUSSHPG-QFIPXVFZSA-N 439.531 2.749 0 40 IFAB C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C2CCCCC2)no1 1628848510 QULYDPXNCCTMFU-POZUXBRTSA-N 444.507 2.638 0 40 IFAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)N1CCOCC1 898706 KYRKNYOTTYAOLA-UHFFFAOYSA-N 427.505 2.969 0 40 IFAB Cc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1Cc1ccccc1 3386590 LBGBIOBSUMUXKE-UHFFFAOYSA-N 449.458 2.899 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O 9154300 FQJLHYPFZUWFPA-DEOSSOPVSA-N 434.496 2.695 0 40 IFAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1OC 9391526 AUPSLLOWNJUZEX-UHFFFAOYSA-N 427.482 2.879 0 40 IFAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 9544828 KFQVJKBVLJEJEN-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB COc1cc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc(OC)c1OC 9712922 RJCYXCCYHOUJMD-UHFFFAOYSA-N 432.454 2.911 0 40 IFAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCC2 9745500 VHHHQZWEHCAEAG-UHFFFAOYSA-N 444.557 2.533 0 40 IFAB COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O 9831028 CRVMSBIBACYPHO-UHFFFAOYSA-N 444.491 2.871 0 40 IFAB COc1ccc(NC(=O)NCCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 11357465 PSDYKXOHXKXZPH-UHFFFAOYSA-N 448.545 2.922 0 40 IFAB COc1ccc([C@@H]2[C@@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)Cn2ccsc2=N)cc1 12542891 YNKDDXCBKDHISJ-YADHBBJMSA-N 447.520 2.868 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12601029 IMDAPDVSPXXJPP-UHFFFAOYSA-N 433.468 2.769 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)CCNC(=O)OC(C)(C)C)CC3)n2)cc1 12765912 ARPQVSFEKAQYSR-UHFFFAOYSA-N 429.521 2.604 0 40 IFAB CN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccccc1N1CCOCC1 12767599 SDJGOSMZGIKFAS-UHFFFAOYSA-N 442.991 2.957 0 40 IFAB COC(=O)C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 12773913 MHEQTSGGYJIUOW-KRWDZBQOSA-N 448.317 2.715 0 40 IFAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccccc1Br 12914935 CUWAPKMFFSSVAO-KRWDZBQOSA-N 425.348 2.801 0 40 IFAB COc1cc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2c1OCCO2 12948350 JSXIRKVYAXLVLV-HWKANZROSA-N 438.480 2.553 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)ccc1Cl 12985889 QLIXXMWNIPRUEZ-GFCCVEGCSA-N 443.909 2.851 0 40 IFAB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C(=O)c2ccco2)CC1 13504125 WKIPQTPITOVQOB-FQEVSTJZSA-N 438.532 2.967 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 14076517 RQAFZFQJTUXZKS-HXUWFJFHSA-N 449.916 2.642 0 40 IFAB COC[C@H](C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3F)no2)c1C 18210305 UTJFFHZTSYTJPL-LBPRGKRZSA-N 429.452 2.697 0 40 IFAB CCN1CCN([C@@H](c2ccccc2)c2nnnn2CCc2ccc(OC)c(OC)c2)CC1 19528056 NCYMXEGCRUGHBO-QHCPKHFHSA-N 436.560 2.660 0 40 IFAB COc1ccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1OC 19933326 DODFTGAQSXWYTP-UHFFFAOYSA-N 430.885 2.579 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2cc(C)ccc2C)c1=O 20611475 DYJMVMDMLFIWED-OAQYLSRUSA-N 432.480 2.573 0 40 IFAB biogenic CCOC(=O)C1=C(CSc2nnc(-c3ccco3)n2-c2ccccc2)NC(=O)NC1 21259501 QPSFQAZRDXROAI-UHFFFAOYSA-N 425.470 2.749 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(NC(C)=O)cc1)S(C)(=O)=O 22252105 UZEXLOWQUMDPNU-UHFFFAOYSA-N 435.502 2.700 0 40 IFAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 22372854 CSJRNDCUEKQJAO-HXUWFJFHSA-N 448.516 2.530 0 40 IFAB CC[C@H](C(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1)c1ccccc1 23141840 ZNLNZQOKGPDFEY-KRWDZBQOSA-N 447.630 2.997 0 40 IFAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 31473973 NCHAIDXPZUHXMQ-DEOSSOPVSA-N 432.480 2.516 0 40 IFAB CCOc1ccc(CCC2CCN(C(=O)Cn3nnn(-c4cccs4)c3=O)CC2)cc1 32865080 RCLUFTJMHXFAHH-UHFFFAOYSA-N 441.557 2.761 0 40 IFAB C[C@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@H](C)O1 32899238 UOWMCJOYSXIYAX-IRXDYDNUSA-N 449.548 2.856 0 40 IFAB Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)sc2c1 36186180 YAVQEKJBQXURFF-UHFFFAOYSA-N 430.555 2.793 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C 40156349 ZAXGAOKXBYGWSP-QGZVFWFLSA-N 446.548 2.518 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccc(C)cc1C 44903878 AFRJPNGEFTVYSZ-KRWDZBQOSA-N 432.542 2.824 0 40 IFAB COc1ccc(CCNC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1OC 57506087 PDMFVYLBKOHJQK-UHFFFAOYSA-N 440.475 2.811 0 40 IFAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NC1CCCCC1 61720398 HIDUVCVIIGDBRF-UHFFFAOYSA-N 429.952 2.672 0 40 IFAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Br)ccc1F 71334820 LUAKAXGPUAXTNP-PSLIRLAXSA-N 425.258 2.530 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@@H]1CCCO1 72402947 UMNGYEDDZXPBOI-ZFWWWQNUSA-N 429.348 2.509 0 40 IFAB NS(=O)(=O)NC[C@@H]1CCCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 78990433 YLTQFJQVXPVNSK-AWEZNQCLSA-N 435.981 2.685 0 40 IFAB COc1ccc(-n2nncc2CN2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cc1F 90590556 BJVMNBHHACJDTB-UHFFFAOYSA-N 435.503 2.791 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCC1 95458867 JCUBZQOWAFXNRG-VQTJNVASSA-N 429.536 2.831 0 40 IFAB Cc1c(C(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)cnn1-c1ccccn1 95462403 GCFYGRSHRJWJST-QGZVFWFLSA-N 428.290 2.637 0 40 IFAB COc1cc(OC)c([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1OC 95474291 GGVFJOIPBZWNQC-GOSISDBHSA-N 435.502 2.978 0 40 IFAB Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 95482524 JEEBRBZWJMDYJS-LJQANCHMSA-N 429.586 2.682 0 40 IFAB Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C[C@@H]1CC[C@@H](c2ccc(F)cc2)S1 95933652 PMSYXEXASXYPSH-IHROFAPWSA-N 448.556 2.828 0 40 IFAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 96875448 LXMKFXZBNHTEDG-GOSISDBHSA-N 444.963 2.737 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233636 PEPVHGJNVGBOSM-MRXNPFEDSA-N 441.576 2.724 0 40 IFAB COc1ccc(CCNc2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)cc1 101704120 FCVQAKXMVSXLNR-UHFFFAOYSA-N 425.916 2.926 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1C(=O)NC(C)C 223787026 NDDZMPJYSICNME-UHFFFAOYSA-N 431.514 2.761 0 40 IFAB CN(c1ccc(C(=O)NCCN2CCCC2=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 224182664 NGMZXBBKFMGVHW-UHFFFAOYSA-N 435.933 2.517 0 40 IFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 225074799 LOYPSPAVGIIYLX-UHFFFAOYSA-N 446.510 2.995 0 40 IFAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1NS(C)(=O)=O 225416297 GNNLRDGHIRGISR-RTBURBONSA-N 443.554 2.967 0 40 IFAB O=C(Cc1ccccc1Br)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759824 RFRJOWASYRQNLB-UHFFFAOYSA-N 442.313 2.859 0 40 IFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515090 GZGANBDTTBPFOX-LMMKCTJWSA-N 438.343 2.958 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CCN(C)C2 257228021 FRZGEDGQVZAIAZ-IBGZPJMESA-N 449.599 2.879 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1c2ccccc2C[C@H]1C 260845664 VREOPXDOHITAJZ-QZTJIDSGSA-N 445.585 2.807 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)CC(C)C)C[C@@H]3c3cccnc3)C2=O)cc1 306125855 DDYMTLUFCVRDMS-RCZVLFRGSA-N 437.540 2.860 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 408645119 KDTPJHSSBRTPON-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 408714431 QNYDNHRVWUITHE-UHFFFAOYSA-N 434.905 2.669 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1345920 FMNAMJMICINTNU-GOSISDBHSA-N 429.542 2.563 0 40 IFAB O=C(OCC(=O)N1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 2650998 IGSJQUOCOMSJKX-UHFFFAOYSA-N 448.566 2.671 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O 3411506 FCRXASDBUJAROX-QGZVFWFLSA-N 434.496 2.875 0 40 IFAB COc1cc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2cc1OC 6198558 KWQYEYFZIWYBOT-UHFFFAOYSA-N 444.557 2.577 0 40 IFAB Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6300125 GRKXAVDYTGBOHA-SSVWKNEZSA-N 433.512 2.659 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9155093 LIYHAEHWAQQYOL-ZDUSSCGKSA-N 437.587 2.801 0 40 IFAB C[C@H](OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1nc2ccccc2c(=O)[nH]1 9361833 YVEFVFFQIDZSDK-LBPRGKRZSA-N 435.889 2.549 0 40 IFAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 9849723 SPGOPNHWDKEBAA-UHFFFAOYSA-N 442.510 2.742 0 40 IFAB NC(=O)COc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 9883719 FAFYGRORHVXMRI-UHFFFAOYSA-N 443.456 2.743 0 40 IFAB CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2cc(S(N)(=O)=O)ccc21 9968970 BPHYXUFUXYOVOO-ZDUSSCGKSA-N 430.555 2.774 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(I)c2)c1 10112234 ZGYIDOLPPLOXGM-UHFFFAOYSA-N 447.250 2.887 0 40 IFAB O=C(CSc1nc2ccccc2[nH]1)Nc1nonc1NC(=O)c1ccccc1C(=O)O 12375369 RONPKJMWRRQQMW-UHFFFAOYSA-N 438.425 2.627 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1OC 12443565 FHNPWLSXEFWDKN-UHFFFAOYSA-N 446.554 2.733 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F 12537430 KJYCMGTWNDKIOJ-IBGZPJMESA-N 433.867 2.544 0 40 IFAB CC(C)NC(=O)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1cccc(C(F)(F)F)c1 13149641 REZDSNCQMGFJGI-UHFFFAOYSA-N 447.435 2.724 0 40 IFAB CC(C)C[C@H](NC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1)C(=O)O 13576980 UGZAQSMSGBEDBY-PMACEKPBSA-N 435.480 2.809 0 40 IFAB COc1ccc(-c2cc3ccc(OCC(=O)NCCc4c[nH]cn4)cc3oc2=O)cc1OC 13691142 HBEHMZIQSIOWBT-UHFFFAOYSA-N 449.463 2.938 0 40 IFAB O=C(Cn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)CCC3)N1CCCCC1 13732435 SIVGXOJCNHHHAP-UHFFFAOYSA-N 434.525 2.669 0 40 IFAB COC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 13786981 SICSYKJAIHVUAS-SJLPKXTDSA-N 427.844 2.564 0 40 IFAB O=C(Cc1noc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 14893908 WRHCGPMVYJGJCN-UHFFFAOYSA-N 439.537 2.782 0 40 IFAB O=C(CSc1nnc2nc(O)cc(-c3ccccc3)n12)NCc1ccc2c(c1)OCO2 15881780 LDHUABXEEZPITN-UHFFFAOYSA-N 435.465 2.634 0 40 IFAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc(I)cn2)c1 16349807 SIKKBWGLBBBXMG-UHFFFAOYSA-N 427.267 2.887 0 40 IFAB O=C(CSc1ncn[nH]1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 18244561 ZBGSGYMGYYFAAH-UHFFFAOYSA-N 431.525 2.856 0 40 IFAB CC(=O)NCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)CC1 19705698 ZGCKLWCJOZQYIS-UHFFFAOYSA-N 435.572 2.622 0 40 IFAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNC(=O)c3cccc4cccnc34)n2)CC1 19709130 ISDKPRLVKGUQIA-UHFFFAOYSA-N 448.571 2.649 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(NC(C)C)n[nH]c3n2)C1 19742148 QRQMUQDCLQYFJR-GFCCVEGCSA-N 426.443 2.639 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)n(CC(C)C)c(=O)n(CC(C)C)c1=O 20612226 ZSWBXUKXGMQWOZ-OAQYLSRUSA-N 440.544 2.753 0 40 IFAB biogenic COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O 20725865 FSGJDXIASQZYRM-OAHLLOKOSA-N 425.876 2.980 0 40 IFAB COc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(Cl)c1OC 21241637 JSKNEQFZXABPGI-UHFFFAOYSA-N 434.876 2.989 0 40 IFAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccc(Br)cc2)c1 21471414 XOORIFRXEHRJST-UHFFFAOYSA-N 434.695 2.986 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccnn1Cc1ccc(Cl)cc1 21601288 RQQDWKUTKVDLJY-HSZRJFAPSA-N 449.898 2.917 0 40 IFAB Fc1ccccc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22929043 GYHPIIOOROCYOB-OFNKIYASSA-N 436.535 2.898 0 40 IFAB NC(=O)CCc1nnc(SCc2ccccc2Br)n1C[C@@H]1CCCO1 23369009 ZOVAVCSXGDMCLS-ZDUSSCGKSA-N 425.352 2.930 0 40 IFAB Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC3)n2)cc1 24822972 UMPCYGZDESUMFB-SFHVURJKSA-N 441.576 2.673 0 40 IFAB COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)ccc1O 27988579 QCKNOIILUDZJLU-MPGHIAIKSA-N 428.338 2.644 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31522438 FMBIARZKMMZJNR-KRWDZBQOSA-N 427.526 2.853 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 31598532 LRQLBUPRNQIZMV-IAGOWNOFSA-N 432.542 2.982 0 40 IFAB Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c2c(=O)[nH]n(C)c2n1 31782949 WNVYSFGCNMEELE-UHFFFAOYSA-N 448.552 2.652 0 40 IFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC(=O)N3)C1=O 32328146 BSVMJOPYGBURAG-QFIPXVFZSA-N 427.407 2.890 0 40 IFAB CN(C)C(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 32810582 HCSATOVLJBZQKC-UWJYYQICSA-N 436.512 2.813 0 40 IFAB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 40108516 NXLLZXYJLGXTAX-BGYRXZFFSA-N 426.561 2.810 0 40 IFAB C[C@@H]1CN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2F)C[C@@H](C)O1 40145488 NHGZRTHVBQWCPJ-CHWSQXEVSA-N 425.482 2.535 0 40 IFAB CCN(CC)C(=O)Cc1ccccc1-c1nn2c(CC(=O)N(CC)CC)nnc2s1 41127054 AXXVIMXNRPQJCG-UHFFFAOYSA-N 428.562 2.675 0 40 IFAB Cc1ccc(C(=O)N[C@H](c2nnc(-c3cc4ccccc4oc3=O)o2)P(=O)(O)O)cc1 41154236 YEZMYJZJKMGSGW-IBGZPJMESA-N 441.336 2.758 0 40 IFAB CC[C@@](C)(CNC(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)N1CCOCC1 58216492 CRXQQJGFRSIMTE-JTSKRJEESA-N 428.537 2.705 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3ccccc32)o1 69535735 AAKJHFCIDJEPLO-MSOLQXFVSA-N 446.525 2.803 0 40 IFAB CC(=O)N[C@@H](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 69620527 LSALAGKASSQRBQ-FQEVSTJZSA-N 443.931 2.980 0 40 IFAB COc1ccc(C2(CNC(=O)Cn3nc(-c4ccccc4)ccc3=O)CCOCC2)cc1 71284304 BFCMXSYMDLTBPH-UHFFFAOYSA-N 433.508 2.784 0 40 IFAB COC(=O)/C(C)=C/CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 72309036 OXXWBIKZUGAMOV-LFYBBSHMSA-N 440.871 2.784 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 72328164 BGTXMDCWCOPCPA-UHFFFAOYSA-N 431.558 2.727 0 40 IFAB Cc1ccnc(Nc2cc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)nc(C)n2)c1 72355955 DXAZOLULKMURCX-MRXNPFEDSA-N 427.534 2.534 0 40 IFAB COc1ccc2c(ccn2CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 72406019 ZXKRMDJQWQDTPE-UHFFFAOYSA-N 441.553 2.867 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(N2CCCCC2)nn1 77099892 JJTBPQPVNTVWQH-UHFFFAOYSA-N 444.542 2.977 0 40 IFAB Cc1ccccc1CN1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@H](C)C3)ncc1CS2(=O)=O 96251985 QJMIKQFMCAEVNH-ORYQWCPZSA-N 426.586 2.918 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 219117891 OWESQURUAYPEBE-KRWDZBQOSA-N 432.477 2.737 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222462961 OMIHXDWZTRXBTD-LJQANCHMSA-N 445.585 2.541 0 40 IFAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1NS(C)(=O)=O 225471844 MSQUSSNTQDARPE-RTBURBONSA-N 443.554 2.967 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(Cl)c1Cl 260894989 GIVCFCVJEGLEKK-LBPRGKRZSA-N 445.324 2.716 0 40 IFAB Cc1nc(CN2CCO[C@@]3(CN(C(=O)C4CCCC4)C[C@@H]3c3cccnc3)C2=O)cs1 306136148 PKVRCKOREUQQMZ-NFBKMPQASA-N 440.569 2.760 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 408584476 QGHQXSIBVABTAR-HNNXBMFYSA-N 434.514 2.958 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408679773 LGYDBJQYWBNTNP-CYBMUJFWSA-N 439.484 2.898 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 409101301 SNFXZKVGOWIDLX-UHFFFAOYSA-N 435.977 2.759 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2OC)N(C)C1=S 409217123 SBPXJBRIBPYYDK-WZUFQYTHSA-N 433.711 2.684 0 40 IFAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(C(=O)COc3ccccc3)C[C@H]21 514289654 MYOXMZZHPIEGME-GGAORHGYSA-N 429.476 2.871 0 40 IFAB biogenic,in-vitro CCCc1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1 643551145 YILHUKIGJZXSMU-INIZCTEOSA-N 448.574 2.730 0 40 IFAB Cc1nnc(SCC(=O)Nc2ccc(I)cc2C(C)C)n1N 641979 PHRZCIUTHSKQSF-UHFFFAOYSA-N 431.303 2.759 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)ncn1 945109 SERVNHACQJHDGU-UHFFFAOYSA-N 444.469 2.556 0 40 IFAB CCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007747 QEVMVOQSRKEGLA-UHFFFAOYSA-N 435.480 2.720 0 40 IFAB CCCCn1c(SCC(=O)Nc2ccccc2CC)nc2c1c(=O)n(C)c(=O)n2C 6162150 LHBAVDHMQKCKBO-UHFFFAOYSA-N 429.546 2.527 0 40 IFAB COc1ccc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1S(N)(=O)=O 8694058 ACDWCGHQVNGKOM-UHFFFAOYSA-N 439.537 2.984 0 40 IFAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 9160557 GYVMJGDATSEGKO-OAHLLOKOSA-N 449.486 2.881 0 40 IFAB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9284773 KLAJAFAXNPZWRM-OAHLLOKOSA-N 440.529 2.627 0 40 IFAB Cc1cc(Br)c(NC(=O)CN2CCCC[C@H]2C(N)=O)c(Br)c1 9365482 KZAISCLSWMZUKU-LBPRGKRZSA-N 433.144 2.798 0 40 IFAB C/C(=C\C(=O)OCC(=O)NC1CCCCCC1)C(=O)OCC(=O)NC1CCCCCC1 9403388 LUPLEIPMUXWKLS-SAPNQHFASA-N 436.549 2.697 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1OC 9416407 SYLSGRCBUKTUPH-UHFFFAOYSA-N 439.859 2.892 0 40 IFAB O=C(CSc1nnc2n1CCN2c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 9573996 ZJCJNIIOOJSAIZ-UHFFFAOYSA-N 427.461 2.706 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCSCc1ccco1 9587058 IPKMROJBWLHZNF-MRXNPFEDSA-N 446.591 2.868 0 40 IFAB C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1ccc(N2CCOCC2)cc1 9612659 FXKXLYSZRXIDKM-HNNXBMFYSA-N 430.578 2.996 0 40 IFAB COC(=O)c1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)cc1 9762012 VBCKPWAKDUVBPR-UHFFFAOYSA-N 439.902 2.969 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)nn2c1O 12154106 JQPIOCLOKGWGDU-MGPUTAFESA-N 446.511 2.940 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1)O2 12329394 OQDZMNLCTAWMSX-QVKFZJNVSA-N 433.464 2.589 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1)c1ccco1 12375896 CVXYYMASPFBFGP-UHFFFAOYSA-N 439.493 2.679 0 40 IFAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(CN3CCCC3=O)cc2)n1 12557705 JBCKIWQXRSRQOA-UHFFFAOYSA-N 448.483 2.685 0 40 IFAB Cc1ccc(N2C(=O)N(CC(=O)NC3CCN(Cc4ccccc4)CC3)C(=O)[C@H]2C)cc1 12785028 BEEUKWGDVLWDNH-LJQANCHMSA-N 434.540 2.933 0 40 IFAB C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14236956 XMCCSAVAELEPCK-GFCCVEGCSA-N 431.495 2.642 0 40 IFAB COc1ccc([C@@H](NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c2nccn2C)cc1 16476061 RBZUIDRSYGSPOF-HXUWFJFHSA-N 443.463 2.791 0 40 IFAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)cc1 16553619 OUJFXINBTGDYDZ-IBGZPJMESA-N 436.556 2.771 0 40 IFAB COc1cn(CC(=O)NCCc2ccccc2)c(CSc2nc(C)cc(C)n2)cc1=O 17014018 KYVBZWQMOJGLHD-UHFFFAOYSA-N 438.553 2.915 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CN3C[C@H](C)O[C@H](C)C3)C1)N2 19127843 LQTUUZBJSONWFR-FLXSYLCISA-N 425.524 2.530 0 40 IFAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(C(=O)c2cc(C4CC4)on2)C3)c(OCC)n1 19531604 PWKKNLWBZCUPIH-QSVWGWLCSA-N 442.516 2.899 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccccc3I)ccc21 19677128 JMYCPYDCWZVARF-UHFFFAOYSA-N 442.278 2.866 0 40 IFAB Cc1nc(CN(C)C(=O)CCN2CCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19698552 LTRXXQQUOZPXEY-UHFFFAOYSA-N 439.535 2.848 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CCc3cc(OC(C)C)no3)C2)nc2c1CCC(=O)N2C 19741617 PWHOEVJMDUFRLW-INIZCTEOSA-N 441.532 2.808 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)s2)cc1 20486292 JMFLXWPSDYCXQR-LBPRGKRZSA-N 430.511 2.939 0 40 IFAB COc1cc(OC)c(N2C[C@@H](C(=O)N3CC(=O)Nc4ccccc43)CC2=O)cc1Cl 22064417 RSGZJBZEBSLHGG-LBPRGKRZSA-N 429.860 2.695 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229975 YZAZFEVNQSQCLT-SFHVURJKSA-N 432.498 2.582 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(NC(C)=O)cc1 22252850 GJMFCKIKIUXETM-UHFFFAOYSA-N 435.502 2.700 0 40 IFAB CC(C)CN(Cn1nc(N2CCCCC2)n(C2CC2)c1=S)[C@@H]1CCS(=O)(=O)C1 22842037 LSOVTLNBXBNACB-QGZVFWFLSA-N 427.640 2.842 0 40 IFAB Fc1ccc(-c2csc(N3CCN(C(=S)NCCCN4CCOCC4)CC3)n2)cc1 26416580 DZUKSJQPFFPYJW-UHFFFAOYSA-N 449.621 2.668 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 32071947 MWIOCTFLEJASQX-ZDUSSCGKSA-N 435.402 2.822 0 40 IFAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 32854826 FSMNRFOXESDVSI-UHFFFAOYSA-N 447.513 2.720 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)NC[C@@H](O)CO[C@@H](C)c3ccccc3)c(C)n2n1 32933036 IQWACAZENFZMTA-FUHWJXTLSA-N 443.573 2.651 0 40 IFAB CC(C)CCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O 32947229 GGFYCQBVXCKGHX-LBPRGKRZSA-N 442.379 2.794 0 40 IFAB CCCCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 35269349 IFNBPQDRHIOUCA-UHFFFAOYSA-N 426.565 2.564 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1nc(N2CCOCC2)ncc1Cl 40123126 YQZHNXLHKQDSHQ-UHFFFAOYSA-N 426.908 2.699 0 40 IFAB CCCn1c(=O)n(CC(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)c2ccccc21 48312074 KRIVHLHURFQRLQ-OAQYLSRUSA-N 449.599 2.930 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc(OC)cc2)C1 72314588 GRQHWEBVMRUGHQ-IBGZPJMESA-N 437.543 2.568 0 40 IFAB Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@H]2CCC[C@](O)(c3cccnc3)[C@@H]2C1 72342993 VIDGOZLQULOMTE-KKVAFCGZSA-N 430.555 2.703 0 40 IFAB COc1ccc(-c2cccc(C[C@@H]3C(=O)NCCN3C(=O)Cn3cc(C(C)C)nn3)c2)cc1 72351434 UNZZFIJEDBLAID-HSZRJFAPSA-N 447.539 2.647 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 89969037 NRNXRCOMKGGRJJ-UWJYYQICSA-N 447.601 2.641 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)cc1 96121751 VKDHGMUJYBMGPT-UHFFFAOYSA-N 426.498 2.588 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)sc2c1CCCC2 222611052 NNTCFCNKHLVVCL-ZDUSSCGKSA-N 428.576 2.804 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(=O)N1CCOCC1 223874548 AJKQKOUDBFTQJY-UHFFFAOYSA-N 438.933 2.642 0 40 IFAB Cc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)cc1C 224598594 KPFYBXDICZYRCY-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cccnc2-c2ccsc2)cc1 225649627 HCZYOKIUQDJJJO-UHFFFAOYSA-N 427.507 2.942 0 40 IFAB Cc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3CCC(C)CC3)n2)o1 225914959 SVQLFGLGXYSILC-UHFFFAOYSA-N 430.578 2.938 0 40 IFAB CC(C)CN1C(=O)C2(CCN(C(=O)CN3CCOCC3)CC2)C[C@H]1Cc1cccc(F)c1 257275539 NPVBUOJWPNIHFV-JOCHJYFZSA-N 445.579 2.566 0 40 IFAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1Cl 409217809 WUBRBQLDRIOFDH-VQZCYCSMSA-N 440.905 2.689 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1CCN(c2ccccn2)C1 510847527 CGLTYWVEHSUTHW-OAHLLOKOSA-N 444.542 2.739 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccs2)n2nc(C)cc2C)c1 575609690 DPUMTKOOBBQTFW-MRXNPFEDSA-N 449.554 2.925 0 40 IFAB Cc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1-n1cnnn1 681008349 DKDBGENMLMNFDD-MRXNPFEDSA-N 444.417 2.520 0 40 IFAB CC(=O)N1CCC(CC(=O)Nc2nc3c(s2)CCC3)(N2Cc3ccccc3C2=O)CC1 1565524335 JEMLKUZBHHEVJO-UHFFFAOYSA-N 438.553 2.998 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 943155 DVQBBVZTMLLHQZ-UHFFFAOYSA-N 428.432 2.988 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1)c1ccccc1 2137012 DHAQSDRMYVTXOT-HKUYNNGSSA-N 449.532 2.909 0 40 IFAB COc1cc(NC(=O)CCC2CCCC2)c(C(=O)N2CCN(C(C)=O)CC2)cc1OC 6543332 MNZDOWOLCXYIDD-UHFFFAOYSA-N 431.533 2.917 0 40 IFAB NC(=O)c1ccsc1NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1 8724755 CNUJUPFENWYQHY-UHFFFAOYSA-N 442.570 2.754 0 40 IFAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H](C(=O)O)C4)c12)OC(C)(C)CC3 8764223 CTUORLMLSBGOBR-AWEZNQCLSA-N 429.469 2.907 0 40 IFAB biogenic CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCOc1ccc(C)cc1)c1ccccc12 8843687 PROXFKYIKWHHPS-JOCHJYFZSA-N 438.509 2.576 0 40 IFAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NCC3CCCCC3)nc(C3CC3)nc21 9128678 SEHGSPZVVQLROZ-UHFFFAOYSA-N 445.589 2.566 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9314882 KWEOIDVYCMTWQI-UHFFFAOYSA-N 441.912 2.859 0 40 IFAB CCCCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2cc(C(=O)OC)ccc2c1=O 9398028 GZTUGYIMFUKECH-GOEBONIOSA-N 447.557 2.759 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccco1 9405222 BYBYDFAXPKHQKA-UHFFFAOYSA-N 437.481 2.957 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)ccc1NC(=O)c1ccco1 9409910 GRUYWRVOYGJSQY-UHFFFAOYSA-N 443.437 2.786 0 40 IFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 9597166 KHYWSJWPFSJPEY-ZZXKWVIFSA-N 430.570 2.806 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 9608501 ATAILWRYOSXJJM-MYYSRTQBSA-N 435.480 2.593 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 9665178 KAMCIDSLCBLAKN-OAQYLSRUSA-N 449.410 2.711 0 40 IFAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 10031440 PQJPPWIGGYXTQD-KRWDZBQOSA-N 430.921 2.806 0 40 IFAB COc1ccc(Cc2nnc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)s2)cc1OC 10060217 FTZIFMZGPWOXGK-UHFFFAOYSA-N 447.538 2.867 0 40 IFAB Cc1ccc(-c2n[nH]c(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)n2)cc1 10219821 RBICHXKGKNETDU-QGZVFWFLSA-N 434.587 2.831 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2cccs2)n2nnnc2N1 10232028 VQDFJTUDEALNJZ-CQSZACIVSA-N 446.286 2.822 0 40 IFAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@@H](C)C(=O)NC1CC1 12784691 JJYLZXYBIGXVBJ-AWEZNQCLSA-N 436.464 2.705 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccccc5C)CC4)ncnc32)cc1 13036864 KJJJOPJQIJHQMM-UHFFFAOYSA-N 443.511 2.555 0 40 IFAB O=C(NCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 13096387 LWTWROUVVUMNOD-UHFFFAOYSA-N 426.826 2.832 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 13109549 RUXZJOVKTLIGTK-KBPBESRZSA-N 426.344 2.878 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)c1 13126504 SJPRSOSUZJCRTM-UHFFFAOYSA-N 427.320 2.806 0 40 IFAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCN1CCOCC1 13426367 BMHVWXPLJBBXGB-UHFFFAOYSA-N 432.493 2.764 0 40 IFAB CCCn1c(=O)n(CCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc21 14198642 DZYJXBWDEHNBBG-INIZCTEOSA-N 429.542 2.884 0 40 IFAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1S(=O)(=O)NC1CCCC1 16599141 GDGOOZHEJUZVSN-FQEVSTJZSA-N 445.585 2.949 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692693 VMXIXEKXLSCNCD-HXUWFJFHSA-N 448.527 2.595 0 40 IFAB O=C(C[C@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCCc1ccccc1 19819507 KYXBJXZLPPPVLA-QFIPXVFZSA-N 442.523 2.960 0 40 IFAB CN(Cc1ccco1)C(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 21239953 WMYHLQQBIBUVRL-UHFFFAOYSA-N 431.448 2.853 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2cccs2)CC1 22025352 KLKSLRNQNBKKAF-UHFFFAOYSA-N 433.599 2.881 0 40 IFAB Cn1c(=O)c2ccccc2n2c(COC(=O)CCC(=O)c3ccc4c(c3)CCC4)nnc12 22116411 YLDSYFSCYNLKJS-UHFFFAOYSA-N 430.464 2.776 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)c1 22395815 KUJFLROYIREMIW-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559478 LJZATWXEVVCBNP-UHFFFAOYSA-N 446.429 2.825 0 40 IFAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCc1ccc2c(c1)OCO2 24381364 JJAQARRZSNYEJN-UHFFFAOYSA-N 442.493 2.768 0 40 IFAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 32859885 KZMIGGKCHZBZPF-UHFFFAOYSA-N 447.520 2.995 0 40 IFAB CCOc1ccc(Nc2nc(-c3cnc(N4CCN(CC)CC4)nc3C)cc(=O)[nH]2)cc1 36235715 GBECACIXCLELFP-UHFFFAOYSA-N 435.532 2.820 0 40 IFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCN(c3ncccn3)CC2)c2ccc(Cl)cc21 36357055 LYYTUSHVHODBNK-IBGZPJMESA-N 443.891 2.507 0 40 IFAB COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2C(F)(F)F)nn1 36694624 CILCLQAXFILJCB-VIFPVBQESA-N 448.361 2.661 0 40 IFAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N(C)CC(=O)NC(C)(C)C)o2)cc1C 40051867 GWCJLWKSERDZQO-UHFFFAOYSA-N 429.517 2.807 0 40 IFAB COc1ccc(NC(=O)NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 40149616 AKJYNLNFWOUZGY-AWEZNQCLSA-N 445.907 2.742 0 40 IFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 48235182 SEKBMIBQVGZONJ-QZTJIDSGSA-N 433.574 2.856 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318394 YIDCPKPRIKJPKS-JOCHJYFZSA-N 438.503 2.737 0 40 IFAB CCOC(=O)CN(CC1CC1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 57994282 IBZBZXXJLHDCDY-UHFFFAOYSA-N 436.574 2.596 0 40 IFAB CCn1c(CN(C)Cc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 58161185 ZRSJPPCIDLZKCY-UHFFFAOYSA-N 428.558 2.709 0 40 IFAB Cc1csc(=O)n1CCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 58282192 CBTYYDMNOKHSMG-UHFFFAOYSA-N 427.448 2.612 0 40 IFAB CN(C)C(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 69375873 PIZUXBJAJKMZPK-KRWDZBQOSA-N 426.344 2.925 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(-c2ccc(C)cc2)nc1C(=O)OCC 71195270 NHBOGBLYTHHPKM-QGZVFWFLSA-N 428.514 2.713 0 40 IFAB COc1ccc2cc(CN3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)c(OC)nc2c1 72336812 LYRXKGVTULRYBH-UHFFFAOYSA-N 429.480 2.956 0 40 IFAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 72340633 WIKNWPHUMJGSNO-FQEVSTJZSA-N 426.540 2.984 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)ncc1C(=O)NCc1ccc(F)cc1 72345549 QERLMAXIXHCWCK-QGZVFWFLSA-N 436.491 2.607 0 40 IFAB O=C(NCCn1ccc2ccc(F)cc21)c1cc(Br)ccc1-n1cnnn1 72401330 CGDCXEBEDQCTCN-UHFFFAOYSA-N 429.253 2.949 0 40 IFAB CCN1CCN(C(=O)Cc2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 79025408 KVEIWRSCTDRLAG-UHFFFAOYSA-N 431.334 2.803 0 40 IFAB COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)CC(C)C)CC3)O2)c1 96262963 ZHLUIHYVMRDDNL-IBGZPJMESA-N 426.517 2.793 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc4c(c2)OCCO4)C1=O)C3 100792388 NKHOBZSGIXRIAJ-FQEVSTJZSA-N 433.464 2.638 0 40 IFAB biogenic O=C(N[C@H](Cc1ccccc1)[P@](=O)(O)CC(C(=O)O)C(=O)O)OCc1ccccc1 137558218 HMYUTAVMRPOHIX-KRWDZBQOSA-N 435.369 2.537 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220897257 PRYCGVDRGCJOGP-OAHLLOKOSA-N 435.509 2.989 0 40 IFAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1OC 223058499 HSTGDKRLKSXJHD-HNNXBMFYSA-N 448.541 2.709 0 40 IFAB CC(C)(C)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224428667 RIZHFXPIGZFYDU-UHFFFAOYSA-N 446.569 2.814 0 40 IFAB O=C(c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCCCC1 257295225 QXMXPQJHXSEIMN-CQSZACIVSA-N 438.500 2.882 0 40 IFAB COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408916469 CUNWOTLYYAIDCJ-RIYZIHGNSA-N 446.257 2.656 0 40 IFAB O=C1CCCC[C@]2(CN(C(=O)[C@H]3CN(c4ccccc4)CCO3)C[C@H]2c2ccccc2)N1 1848352612 YMXKKOQBEJUYLF-PPJWLVRDSA-N 433.552 2.947 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](N(C)c2ncccc2C(F)(F)F)C1 1889191568 RCXQFDKDPQJVIJ-CQSZACIVSA-N 431.484 2.740 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1 3366709 UHFKAOMOCSODLB-NSHDSACASA-N 446.312 2.546 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O 3458022 PEIQYBZMAODQTL-UHFFFAOYSA-N 441.269 2.730 0 40 IFAB C[C@H]1C[C@H](C)C(=O)[C@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1 4683379 BCMABKOQTPATAU-BPQOCRPUSA-N 427.497 2.865 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc3c(c2)nnn3CC)cc1 9467202 QCGMBAUKWHPTGB-HNNXBMFYSA-N 429.546 2.973 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)Cc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1 9796536 WNWZHARNJXPZTK-UHFFFAOYSA-N 448.454 2.675 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 10231934 PUCILGJXHABWHJ-MRXNPFEDSA-N 440.803 2.560 0 40 IFAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 11365340 DROUPXXPDNUSLZ-DLBZAZTESA-N 431.562 2.721 0 40 IFAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(Br)cc1Cl 11576478 WUAMITPQQBJNEM-JTQLQIEISA-N 432.731 2.999 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2C)CC1 12728519 DVEFCAILRAQDFB-PMACEKPBSA-N 426.561 2.641 0 40 IFAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12763548 CXNVEUFVUIBBAL-MSOLQXFVSA-N 433.549 2.788 0 40 IFAB Cc1nc2nc(SCCC(=O)Nc3ccc4c(c3)CCC4)nn2c(C)c1CC(=O)O 12779095 SFRNVHDWDRKJEL-UHFFFAOYSA-N 425.514 2.978 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(OC)c(OC)c1 12913188 KLZNBFKOPIYYRS-UXBLZVDNSA-N 426.469 2.975 0 40 IFAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13016639 JAJPNRMHAMOLCS-SFHVURJKSA-N 434.945 2.565 0 40 IFAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 13164948 IWYSFFGPXBKZGY-QWHCGFSZSA-N 445.570 2.545 0 40 IFAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 13856923 BSQQNFFTCNJNFQ-UAIRLVHKSA-N 442.471 2.957 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2CC)s1 13956072 KDNBQONFILNPQL-UHFFFAOYSA-N 449.537 2.763 0 40 IFAB C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(S(N)(=O)=O)cc1 14224883 LWWOEPFPCCCPQZ-CQSZACIVSA-N 428.514 2.569 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 14425137 CUJRNSFLNRZLAF-LJQANCHMSA-N 443.569 2.745 0 40 IFAB Cc1nn(C)cc1[C@H]1C2=C(Nc3ncnn31)c1cc(O)ccc1O[C@H]2c1cn(C)nc1C 17096861 BUSDNXYLHAFKSX-SFTDATJTSA-N 430.472 2.627 0 40 IFAB Cc1cc(-c2cnc(N3C[C@@H](C)O[C@H](C)C3)nc2-c2ccc(N3CCOCC3)nc2)on1 19123959 AXYVHQPQIQJNCC-IAGOWNOFSA-N 436.516 2.952 0 40 IFAB CCN1CCN(C(=O)c2nc[nH]n2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527696 FDWJITAPRVWENQ-GOSISDBHSA-N 433.512 2.644 0 40 IFAB O=C1N([C@H]2CCCN(Cc3cccnc3)C2)C(O)=NC12CCN(CCc1ccccc1)CC2 19699955 OKXWOPBGBBQCAT-QHCPKHFHSA-N 447.583 2.880 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1 19938277 PQOJUKNNPRWDEH-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1cccs1 20559138 IXBDCALHSQALDB-HXUWFJFHSA-N 444.532 2.881 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 22271284 LYLDIBSBOZXNIZ-QFIPXVFZSA-N 439.537 2.686 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 25404475 JTJFBKDWNPUZLH-DEOSSOPVSA-N 446.503 2.766 0 40 IFAB Cc1ccc([C@H](NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c2cccs2)cc1 26492844 FIIYMXOHRJDRRJ-IBGZPJMESA-N 425.510 2.996 0 40 IFAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCC1(N2CCOCC2)CCCCC1 30019217 KTJKPZNXZWAWAU-UHFFFAOYSA-N 432.546 2.682 0 40 IFAB Cc1cc(NC(=O)CN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)no1 32853504 RWMNMWTWQCGLJG-UHFFFAOYSA-N 430.534 2.512 0 40 IFAB C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCCc2ccccc21 32860350 FMPRJSSESWYPKG-INIZCTEOSA-N 428.510 2.751 0 40 IFAB COc1ccc(CN2CCC[C@H]2c2nc(-c3ccnc(NS(C)(=O)=O)c3)no2)cc1 35425552 LUOOXRLZSVJIAH-KRWDZBQOSA-N 429.502 2.849 0 40 IFAB biogenic,in-vitro O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c2ccc(Cl)cc21 36359876 DMHXEUKNRXJEDC-OAQYLSRUSA-N 442.903 2.718 0 40 IFAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc1O2 38708589 MFFRVOYYIOWXOX-UHFFFAOYSA-N 443.525 2.987 0 40 IFAB COc1ccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc23)cc1 49401430 GCVIQMUFSVAKNP-UHFFFAOYSA-N 446.463 2.821 0 40 IFAB O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1CCCS(=O)(=O)c1ccccc1 58380441 DMDIBIFNCZCQGP-UHFFFAOYSA-N 426.494 2.936 0 40 IFAB C[C@H]1CCCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 60643662 BHSUKGMISTUFEU-ZWKOTPCHSA-N 442.025 2.979 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988697 DPKIABGYQJOPRV-HXUWFJFHSA-N 445.541 2.691 0 40 IFAB COc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)c(C)c2)c(=O)c1=O 67256496 MWEKVUUBMBJLAL-UHFFFAOYSA-N 444.285 2.717 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3CCN(CCOC(C)C)CC3)n2)c(OC)c1 72308999 LYZPWLIIXZOYQB-UHFFFAOYSA-N 448.589 2.808 0 40 IFAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H]1CO 72321500 WAKBBCINPLVYRJ-DENIHFKCSA-N 435.484 2.525 0 40 IFAB biogenic,in-vitro COc1cc(Br)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)cc1C(=O)O 83915574 KOAYWFDWDSCXEU-UHFFFAOYSA-N 448.222 2.794 0 40 IFAB O[C@@H](CN1CCOCC1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 95116618 DHIAETWWQGSZTF-SFHVURJKSA-N 444.333 2.626 0 40 IFAB COc1ccc(Cl)cc1N1C(=O)/C(=C/N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 102588006 ZEOGUKMKGRHJSY-SWEABUAFSA-N 446.912 2.653 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CCN1CCOCC1 223127074 GDIBRPJGEYRSPR-FGZHOGPDSA-N 434.569 2.572 0 40 IFAB Cc1ccccc1-c1noc(CN(C)C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)n1 224482591 JPDIEJPGXCXEIY-IBGZPJMESA-N 428.514 2.636 0 40 IFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1 224490484 SQJCFTAQDMUYHR-UHFFFAOYSA-N 439.921 2.561 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 225060161 YZLQMPJUHHOGQI-ZDUSSCGKSA-N 433.555 2.956 0 40 IFAB Cc1ccc(CN(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 225352395 RADTXFGZOXPLST-UHFFFAOYSA-N 445.585 2.868 0 40 IFAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)Cc3ccccc3)CC2)cs1 225467355 MDXQVVHMULEUOA-LJQANCHMSA-N 429.586 2.807 0 40 IFAB biogenic,in-vitro Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)c2csc(-c3ccccc3)n2)CC1 225599431 UFIVCPFZQZLZRL-UHFFFAOYSA-N 445.570 2.687 0 40 IFAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1cc(Br)ccc1OC(F)F 225633410 ADGUZFXRDCFUNX-OLZOCXBDSA-N 436.249 2.772 0 40 IFAB CCCN1CCN(C(=O)CNC(C)=O)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 257240226 HSQOVJRKNPZTKD-NRFANRHFSA-N 439.531 2.868 0 40 IFAB COc1cccc(OCCc2cc([C@@H]3CN(Cc4cn(C)nc4C)CCO3)nn2C)c1 257333449 YBPCOMDKPLFZKL-QHCPKHFHSA-N 425.533 2.666 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)ccc1OCC(=O)O 409201315 LLTUACRDMCDEIL-NWRYFCBHSA-N 448.497 2.596 0 40 IFAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 525094168 VEMVFSQLLTYDSA-RTWAWAEBSA-N 440.931 2.862 0 40 IFAB C[C@@H]1Cc2ccccc2N1C1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 620943551 ZKBHOEJXUMEHNH-CQSZACIVSA-N 440.525 2.645 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCC(Oc2ncc(Br)cn2)CC1 1888881740 ALVIWAUYPINQPZ-AWEZNQCLSA-N 445.317 2.662 0 40 IFAB O=C1C=C(NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccccc1 8771784 SMAWCODUAOENFO-UHFFFAOYSA-N 445.928 2.540 0 40 IFAB O=C1C(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccco1 8895038 JWRWCAQXSIRRQG-UHFFFAOYSA-N 431.202 2.583 0 40 IFAB CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 9191146 QUSCAFJHLWMLFW-SFHVURJKSA-N 431.514 2.745 0 40 IFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 9413254 ZCOFLLGFUAENKY-UHFFFAOYSA-N 443.500 2.697 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(N4CCN(C)CC4)cc3)c(C)n2n1 9469527 BTMCMDFIEZTLCH-UHFFFAOYSA-N 439.589 2.786 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9779609 QNGRDJYPDXVXND-UHFFFAOYSA-N 430.526 2.605 0 40 IFAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9951057 PLNZWPXHMFTJFK-CYBMUJFWSA-N 443.554 2.911 0 40 IFAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(F)(F)F)c4)nc32)c1 10187996 KZFBKXWJIBLMDQ-UHFFFAOYSA-N 429.358 2.902 0 40 IFAB COc1ccc2c(CC(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)coc2c1 11156769 JQSWGMUIJDCOKK-UHFFFAOYSA-N 428.510 2.953 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 11160901 CURWPSQJINOHLT-UHFFFAOYSA-N 429.425 2.620 0 40 IFAB COc1ccc(-n2nnc3c(SCC(=O)Nc4cccc(NC(C)=O)c4)ncnc32)cc1 11758682 YFZLUNWSUXYUGI-UHFFFAOYSA-N 449.496 2.908 0 40 IFAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)Cn3ncc4ccccc4c3=O)C1)O2 12237054 HXOALEUUPMJLFI-FDDCHVKYSA-N 431.492 2.978 0 40 IFAB COC(=O)Cn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc2c1=O 12752064 AEMYORWDUJLVDP-LLVKDONJSA-N 433.436 2.967 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c(C)c1 12903095 ITGDOKMHJIEGOC-UHFFFAOYSA-N 446.960 2.700 0 40 IFAB O=C(CN1CCN(C(=O)CN(Cc2ccc(F)cc2)C2CC2)CC1)Nc1cccc(F)c1 12918623 OILKXTKOCBXFIF-UHFFFAOYSA-N 442.510 2.712 0 40 IFAB COc1ccc(OCCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 14230696 KSRFTGWHOIGYPC-UHFFFAOYSA-N 432.542 2.955 0 40 IFAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c2c1C 19234226 QKKZQLVMXMBOMC-JOCHJYFZSA-N 448.502 2.740 0 40 IFAB O=C(Cc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19370194 DFCWYWWJLXAVTD-QFIPXVFZSA-N 429.524 2.629 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19528371 DQZBSAWCXSVUGK-RLWLMLJZSA-N 448.567 2.514 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694130 NSDWETUHUJVREI-MRXNPFEDSA-N 444.536 2.651 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1ncc(C(=O)N2CCCC2)c(C)n1 19755993 RYUKJTQGAAMAHE-QGZVFWFLSA-N 448.520 2.695 0 40 IFAB CC(C)Oc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 22368061 IRDPDLWAQNIHGZ-UHFFFAOYSA-N 448.541 2.718 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(Cl)c1 22537517 BECSLENGBZNSJN-ZDUSSCGKSA-N 444.912 2.660 0 40 IFAB C[C@H]1CN(CCNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@H](C)O1 22612519 BUDNHVUYODFQOG-PQOYOPPMSA-N 443.569 2.938 0 40 IFAB COc1ccc2cc(CN(C)CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)ccc2c1 24832080 QGIOOUYKFGQPPF-UHFFFAOYSA-N 438.528 2.956 0 40 IFAB CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nc2ccsc2c1=O 27837824 ITTTWQNAEMHXHI-UHFFFAOYSA-N 432.483 2.647 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1CCCN(c2cnccn2)C1 29782244 ZDPHCUPFQBRGMN-GOSISDBHSA-N 443.573 2.896 0 40 IFAB O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCN(Cc2ccccn2)CC1 32823281 FTDOSSOQDRKRPD-UHFFFAOYSA-N 428.949 2.752 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OC(C)=O)C2=O)o1 33664369 NEMSGCPTRSWSDO-AUWJEWJLSA-N 448.815 2.746 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 44912194 OXGFVRUFVGYLTF-IBGZPJMESA-N 432.498 2.646 0 40 IFAB COc1ccc2nc(NC(=O)CNC(=O)N3CCN(c4ccccc4)CC3)sc2c1 44922040 FMXYDZMDODEDCO-UHFFFAOYSA-N 425.514 2.775 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1 57428883 WGCYICIDQPSMRQ-UHFFFAOYSA-N 435.461 2.639 0 40 IFAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 58163355 FUCHKCSCJOPVTC-CQSZACIVSA-N 425.913 2.813 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)cc1 58173860 RDJSWIBCUVABKG-UHFFFAOYSA-N 435.933 2.910 0 40 IFAB CCN(CC)CC1CCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 58296922 LETBIPJPVKUOEO-CQSZACIVSA-N 428.499 2.601 0 40 IFAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)CN3C(=O)NC(C)(C)C3=O)n2)sc1C 72375428 ADQABNBISXHBTI-OAHLLOKOSA-N 442.545 2.892 0 40 IFAB Cc1nc(CN(C)C(=O)Cc2ccncc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72380170 HPJZBRCIZDIJED-UHFFFAOYSA-N 433.487 3.000 0 40 IFAB O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(CN2C(=O)CNC2=O)cc1 84398226 PCLRVZMKPXWFOL-UHFFFAOYSA-N 428.286 2.920 0 40 IFAB C[C@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCN1C1CCN(C)CC1 95455955 QQVXLYFBMORURZ-INIZCTEOSA-N 446.393 2.875 0 40 IFAB CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@@H]1OC 95941977 ZNELTWSJFPPVIB-GYSYKLTISA-N 428.732 2.582 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222462378 ZPBITAYGEQOORQ-LJQANCHMSA-N 445.585 2.541 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c1 224764571 BXLKPBSUNIFEFD-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB Cc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl 224988181 MLWPMJWXLWCVRL-UHFFFAOYSA-N 437.949 2.890 0 40 IFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743072 YLPYASGFFSNBGA-UHFFFAOYSA-N 437.978 2.834 0 40 IFAB O=C(CCn1cnnn1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257331549 XTIMNIPKGZWNBD-IBGZPJMESA-N 446.433 2.668 0 40 IFAB Cc1cccc(COCC[C@H]2CCOC23CCN(S(=O)(=O)c2cccnc2)CC3)n1 575406502 YAZCOOHJVQSIDN-IBGZPJMESA-N 431.558 2.952 0 40 IFAB COCCNC(=O)c1ccc2c(c1)[C@@H](C1CCN(C(=O)c3cccc(F)c3)CC1)C(=O)N2 585113223 LIRVUAWAGFTJEX-OAQYLSRUSA-N 439.487 2.790 0 40 IFAB COc1cccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cc(C)on2)c2ccnn23)c1 1772596564 TYRWQPMFIHACNO-UHFFFAOYSA-N 435.484 2.757 0 40 IFAB COC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1OC 814157 ORKGCPUJESQXGF-HXUWFJFHSA-N 443.431 2.653 0 40 IFAB CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 814524 PSIOMYDFUQSFBS-UHFFFAOYSA-N 431.297 2.659 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C)s2)cc1OC 9251769 AHCSBAZRSVJMNC-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB COc1cccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)c1 10186848 XGTPWZKJKCHURZ-UHFFFAOYSA-N 448.526 2.846 0 40 IFAB CC1CCN(CC(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)CC1 12085533 CGFHNYJRPGULDM-QHCPKHFHSA-N 446.979 2.705 0 40 IFAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C 12422566 LURTZQKKROAPFG-UHFFFAOYSA-N 426.424 2.974 0 40 IFAB COc1ccc(C(=O)N[C@H](CCSC)C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 12595863 NEFAQIJZNJRIJL-LJQANCHMSA-N 444.553 2.977 0 40 IFAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)o1 12601159 IQZXAWXBBNQCHA-NSHDSACASA-N 435.483 2.651 0 40 IFAB CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 12761769 PQATUAZIGSMRHW-GDBMZVCRSA-N 446.447 2.796 0 40 IFAB COC(=O)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 12877347 YJYDRGXSKOXSBC-NRFANRHFSA-N 440.521 2.881 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 14067600 YCMCMRBTADJWAR-SFHVURJKSA-N 447.520 2.899 0 40 IFAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl 14291877 PLAUVHMIWXVWID-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB Cc1cc(=O)oc2cc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)ccc12 14722272 WYKQUMDTJGQXDB-UHFFFAOYSA-N 429.450 2.675 0 40 IFAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021943 UZPHEAGMUZZUDX-LYXWCMDISA-N 437.927 2.959 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4oc3=O)cc2n1 19522271 HMNHAPKYZZPVIE-SFHVURJKSA-N 433.468 2.795 0 40 IFAB Cc1nc(CN(C)C(=O)[C@H]2CCCO2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 19698431 MGMWUPORINAMFF-OAQYLSRUSA-N 447.539 2.926 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)CCc1ccccc1)C2 19701358 QJWUWOVICGCTKE-JOCHJYFZSA-N 434.515 2.977 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)n1 19702807 RLYVJYNNIPPYJO-HNNXBMFYSA-N 443.529 2.659 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)C2 19744156 PKRIAXXRYHAGOY-QGZVFWFLSA-N 444.557 2.962 0 40 IFAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 19766712 QGSGQJTUTHVOHE-GOSISDBHSA-N 447.561 2.978 0 40 IFAB Cc1ccc(NC(=N)NC2=N[C@@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2)cc1 20799161 GRJPXPYZZNRFCX-HNNXBMFYSA-N 443.305 2.577 0 40 IFAB CCOc1cc(CNCc2ccc(CN3CCOCC3)cc2)ccc1OCC(=O)N(C)C 21841796 CXTWKFGJUWIWFL-UHFFFAOYSA-N 441.572 2.674 0 40 IFAB COc1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc2c1OCCO2 21888957 ULPZLQPLJZIISQ-SOFGYWHQSA-N 432.498 2.677 0 40 IFAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 22226867 TUIDJGSDQPXCPU-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB COc1ccc(CCNC(=S)N2CCN(CCOc3ccc(OC)cc3)CC2)cc1 22239894 CWOCSEDZVIKCPQ-UHFFFAOYSA-N 429.586 2.817 0 40 IFAB CC(=O)c1cccc(OC[C@H](O)CN2CCN(CCOc3ccccc3Cl)CC2)c1 25305310 GIEXQBPXISYCDF-HXUWFJFHSA-N 432.948 2.979 0 40 IFAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 30852821 GFOFCRZFHKCVPX-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 30939107 LBJIOGYKBVGTKW-KRWDZBQOSA-N 438.889 2.601 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30939750 RCEKEKPDQKBSIQ-FQEVSTJZSA-N 445.541 2.691 0 40 IFAB COc1cc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl 30942795 COUYHPRFJOYVEG-MRXNPFEDSA-N 440.905 2.913 0 40 IFAB Cc1nc(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)sc1CC(N)=O 32871352 WOHRPQYRUFKGHR-ABROSTTOSA-N 436.603 2.755 0 40 IFAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 32882267 DSDVQRYPXMGXJO-UHFFFAOYSA-N 425.514 2.818 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)ccc21 32988524 FFVXQYGYDNDAJF-HXUWFJFHSA-N 440.931 2.930 0 40 IFAB CN(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 32989045 YFYBDRIMYPRXSG-KRWDZBQOSA-N 443.491 2.793 0 40 IFAB COc1ccc(-c2n[nH]cc2[C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 36394840 WHWAVJZOAADSML-FQEVSTJZSA-N 431.456 2.693 0 40 IFAB Cc1ccc(SCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 38754507 RPGFWBZSWQDQSN-UHFFFAOYSA-N 425.551 2.655 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H]1COc2ccccc2O1 40005101 VROPWWVDYFWFSQ-ZDUSSCGKSA-N 435.406 2.649 0 40 IFAB COC(=O)c1ccc(Cn2nc3c(-c4nc(-c5cccc(C)c5)no4)cccn3c2=O)o1 49006628 VAGZTAFYIWNTLH-UHFFFAOYSA-N 431.408 2.949 0 40 IFAB CC1(C)NC(=O)N(CCCSc2nnc(CN3CCCC3)n2-c2ccccc2)C1=O 58186100 NXEFJQDREGNXSE-UHFFFAOYSA-N 428.562 2.676 0 40 IFAB O=C1C[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)CN1Cc1cccc(C(F)(F)F)c1 59037340 SVMLPSXJFASRQI-IBGZPJMESA-N 446.473 2.793 0 40 IFAB COC(=O)C[C@H](NC(=O)c1c(C)nn2c(C)cc(C)nc12)c1ccc(OC)c(OC)c1 59364777 DNGLIYRWMKYKGM-INIZCTEOSA-N 426.473 2.706 0 40 IFAB COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccc(Oc5ncccn5)cc4)C[C@@H]32)c(OC)n1 72395415 OAZZIUJICVXTEU-YQOVMPOYSA-N 449.511 2.806 0 40 IFAB CCS(=O)(=O)NCc1ccc(C(=O)NCc2c(C(=O)O)sc3ccccc23)cc1 95425350 ZHVMVKDXQDPPJZ-UHFFFAOYSA-N 432.523 2.969 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@@H](C)n3nc(C)c4ccccc4c3=O)cc2n1 100138994 DADYXMRFNVFNLL-DNVCBOLYSA-N 432.484 2.686 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(F)cc4F)[C@@H]3C2=O)cc1Cl 101388585 IPEPFJGXJIVCPH-IRXDYDNUSA-N 449.801 2.559 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1 102773288 DMWYNAUGDOYODO-KKQCZIFWSA-N 441.484 2.634 0 40 IFAB Cc1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1 206772407 KLRZGRNGKPNXCN-QGZVFWFLSA-N 442.541 2.590 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223672811 GWLMGUYBGLDLIF-GOSISDBHSA-N 435.524 2.925 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 224427953 XPRGCSFTYYMGMM-UHFFFAOYSA-N 426.542 2.832 0 40 IFAB Cc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 225125339 WDRCMTPIXFNENC-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN(C(=O)c4cccc(F)c4)C3)nc21 257210510 BUYKEYORQNQERZ-QHCPKHFHSA-N 426.492 2.654 0 40 IFAB CN1CCN(c2cc(C(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)ccn2)CC1 257255923 KJKRAVWHGPEXEE-JOCHJYFZSA-N 435.572 2.648 0 40 IFAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260897617 JFDNHUSBRIOJAL-ZBFHGGJFSA-N 438.933 2.759 0 40 IFAB CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccn12 306141418 VVMZYYZNKGSIEG-FQEVSTJZSA-N 447.543 2.510 0 40 IFAB O=S1(=O)CCN(S(=O)(=O)c2ccccc2Br)CC[C@H]1c1ccccc1 390828669 BOZXYHDTCGRQFJ-INIZCTEOSA-N 444.372 3.000 0 40 IFAB CCC(O)(CC)CNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 542765281 GXEBPBIVTVILII-RUZDIDTESA-N 435.524 2.833 0 40 IFAB O=C(NCc1nnnn1-c1ccccc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 593530104 IXXNNIVJFBXRGQ-UHFFFAOYSA-N 430.472 2.802 0 40 IFAB Cc1ccsc1S(=O)(=O)N1C[C@H]2[C@H](CC(=O)NCc3cccs3)COC[C@H]2C1 2055771755 UTQLLXUVXJRYDU-INMHGKMJSA-N 440.612 2.708 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)N[C@@H]1CCCC[C@@H]1C 4339229 HNRQDGHEHSFNCZ-IPJCAIGPSA-N 426.623 2.817 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)c(=O)[nH]c2c1 6148988 BJZOKVJGTYDAHH-WIYYLYMNSA-N 438.532 2.524 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](C)C2)sc(C(=O)OCCOC)c1C 7787464 YJHXYAVOOYAVLE-CYBMUJFWSA-N 426.535 2.707 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(F)cc3)n2)cc1 8612213 YBKHEBLOVNMLFJ-UHFFFAOYSA-N 438.507 2.983 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)c(C)c1 9001577 FOAHWEVASPGZSS-UHFFFAOYSA-N 429.480 2.565 0 40 IFAB COc1cc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(C)C(=O)[C@@H]45)[C@H]23)ccc1OCc1ccccc1 9347781 ZLHIVLXHQUUYKJ-PUGIJZQRSA-N 432.476 2.874 0 40 IFAB CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 9442191 PQCLXEOTIBNQMP-UHFFFAOYSA-N 438.571 2.839 0 40 IFAB COc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1S(=O)(=O)N1CCOCC1 9502433 NLQPETYCJIQZLU-LSDHHAIUSA-N 446.525 2.853 0 40 IFAB Cc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 9510043 AJQNHUDHJIZGNN-UHFFFAOYSA-N 432.498 2.916 0 40 IFAB Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c(C)c1 9668788 KJABNAUWHRYOCM-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1NS(=O)(=O)c1cccs1 10923059 DSWHGGAFYXXXCE-UHFFFAOYSA-N 447.519 2.975 0 40 IFAB CCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)N(CC)CC 11547367 GMMLQGXNVVXHCD-UHFFFAOYSA-N 439.559 2.546 0 40 IFAB COc1ccc([C@H](NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c2nccn2C)cc1 12520799 SAWXNWKXNLFZPQ-NRFANRHFSA-N 429.480 2.604 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 12561447 JWYZAJPPIAIKAF-JOCHJYFZSA-N 439.512 2.922 0 40 IFAB Cc1cccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2C)c1 12821685 NSKYRFOOWIUYGL-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NC1CCCCCC1 12877928 TZNYYFJKSWDESV-UHFFFAOYSA-N 447.523 2.851 0 40 IFAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1Cc1cccs1 13116088 SRCRPHPVXHKQCB-UHFFFAOYSA-N 425.466 2.981 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3)cc2)C1 14361116 KHRLHJCZIPRTPL-HDICACEKSA-N 444.553 2.826 0 40 IFAB COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 15514826 KEQHFHVDJLVMFY-UHFFFAOYSA-N 432.542 2.737 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)cc1 15822816 CWZBGCPLMWASRW-UHFFFAOYSA-N 435.571 2.879 0 40 IFAB CC(C)S(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19451030 UIBCEHGWEQPBNL-INIZCTEOSA-N 447.605 2.653 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19463425 DBZUUQWHTJEADB-OXFYSEKESA-N 426.561 2.945 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22229011 COUBHDYNIKQCGZ-UHFFFAOYSA-N 437.949 2.633 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)[C@H]2CC=CCC2)c1 23730947 OLHIAJKVYDMAAS-SFHVURJKSA-N 434.606 2.764 0 40 IFAB COC(=O)C[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccc(OC)c(OC)c1 24492168 QLZLHQKFZPWTAH-INIZCTEOSA-N 426.473 2.637 0 40 IFAB Cc1cccc(-n2c(SCC(=O)N3CCN(S(C)(=O)=O)CC3)nc3ccccc32)c1 24536317 WUXVBWCVUOETJE-UHFFFAOYSA-N 444.582 2.530 0 40 IFAB COc1ccc(CN2CCN(C(=O)CNC(=O)c3cccc(Br)c3)CC2)cc1 24649330 DVOPZLXGUKTLAT-UHFFFAOYSA-N 446.345 2.532 0 40 IFAB Cc1cc(C)c2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)[nH]c2c1 29149909 GEPYYXPZLGQDLF-UHFFFAOYSA-N 433.555 2.797 0 40 IFAB Cc1ccc(CN(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1 32109594 AETOIQPRORVBDG-UHFFFAOYSA-N 437.521 2.924 0 40 IFAB Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC(C)(C)C)N(CC(C)C)C(=O)[C@H]13 35314549 SMHKVONVNIZTLM-GEZZUNRVSA-N 439.556 2.655 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3nncs3)n2C[C@H]2CCCO2)cc1 36393082 GXNJTUOHQUYGOM-CQSZACIVSA-N 432.531 2.715 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccccc1CC 38303441 NYIRIVUSRALZCD-GOSISDBHSA-N 435.484 2.841 0 40 IFAB Cc1nc2n(c(=O)c1C)CN(CCN1CCOCC1)CN2c1cccc(C(F)(F)F)c1 38830029 CDBBKBXHEHRITC-UHFFFAOYSA-N 437.466 2.580 0 40 IFAB O=C(OCC(=O)N1CCN(Cc2ccccc2F)CC1)c1cnn(Cc2ccccc2)c1 40023653 YPPSLKXSJQTRLA-UHFFFAOYSA-N 436.487 2.572 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)NCc2cn3cc(Cl)ccc3n2)cc1OCC 40050726 WSNBYNGIWDHZMA-UHFFFAOYSA-N 430.892 2.831 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)c(-n2cnnn2)cc1OC 40141058 KHVKYLZMAMBPOE-UHFFFAOYSA-N 429.864 2.758 0 40 IFAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 40161254 FHJMPBOOGWTJPU-MOPGFXCFSA-N 447.576 2.658 0 40 IFAB CCN(CC)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 48332448 DFJYNYQDTAMFLZ-UHFFFAOYSA-N 439.965 2.922 0 40 IFAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1cccc(Cl)c1 49546113 ZLBRQBSVMOBZDQ-UHFFFAOYSA-N 432.267 2.656 0 40 IFAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 58202348 SZLGUXHHWQRVQD-UHFFFAOYSA-N 428.496 2.978 0 40 IFAB Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)NC(=O)NCc3ccccc3)C2)cc1 58224355 NAHJHZYLPDEULH-HXUWFJFHSA-N 437.544 2.855 0 40 IFAB Cc1c(C(=O)N2CCN(c3ccccn3)CC2)nnn1-c1ccccc1Br 67283396 LGQVYKUTFHPIJT-UHFFFAOYSA-N 427.306 2.696 0 40 IFAB CCCN1CCc2nc(SCC(=O)Nc3ccc(C(=O)OCC)cc3)nc(O)c2C1 67291717 DXLLJSLDQXQESN-UHFFFAOYSA-N 430.530 2.858 0 40 IFAB COC(=O)[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F 69563297 NPNHNEGJEOHRPZ-WMLDXEAASA-N 441.450 2.964 0 40 IFAB O=C(Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1)Nc1ccc2c(c1)OCO2 71003346 BKRGMKOJSINVAE-UHFFFAOYSA-N 435.444 2.707 0 40 IFAB COC(=O)c1nc(NC(=O)CCCn2nnc3ccccc3c2=O)sc1CC(C)C 95473760 NNTNUKCOEVYJCW-UHFFFAOYSA-N 429.502 2.652 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)s1 97138644 CNJYUQMFUUQPRD-GOSISDBHSA-N 437.525 2.518 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@](C)(CC)[C@@H]3C2=O)cc1 106758211 XWCNBSANBFCENW-RDXCRGQUSA-N 432.523 2.945 0 40 IFAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 222722171 RIDKEOYNCATQED-INIZCTEOSA-N 430.526 2.874 0 40 IFAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222961712 KQPQLWVVYASZTM-LJQANCHMSA-N 445.585 2.786 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCOC1CCCCC1 224148603 GHBLBMSFAAMIEL-UHFFFAOYSA-N 426.579 2.734 0 40 IFAB COc1ccc(CNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 225377638 LOAZFYSTHUZQDY-UHFFFAOYSA-N 432.542 2.737 0 40 IFAB C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)CCCC2)s1 225685485 SRNOWLHUIXQHCB-CQSZACIVSA-N 430.526 2.775 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 253376327 SUJWCCCVPFFSHC-VXQVSLNISA-N 439.556 2.945 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1C 257219869 DIODXQRDDJMGJH-UHFFFAOYSA-N 440.529 2.896 0 40 IFAB O=C(CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1)Nc1nc2ccc(Cl)cc2s1 257266737 MEGYLBLWKCMRLL-HZPDHXFCSA-N 447.900 2.711 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)C2(c3cccc(C)c3)CCOCC2)CCN1Cc1ccccc1 257330004 XMJPAMXWIJODNW-QHCPKHFHSA-N 435.568 2.502 0 40 IFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306131631 KKPGPEYCTZFDGS-OFVILXPXSA-N 444.539 2.913 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 408675575 JBJDPNAXLWKTRB-UHFFFAOYSA-N 426.922 2.981 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(C)c2)cc1 408680524 ZQGBASQHGKUHNW-UHFFFAOYSA-N 441.509 2.895 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)cc1OC 409055940 LRCVHNTUPQEVSV-WQRHYEAKSA-N 442.493 2.860 0 40 IFAB Cc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4cnc5ccccc5n4)C3)C2=O)cc1 618254616 BLHFAMAHBPVTFJ-IBGZPJMESA-N 431.496 2.860 0 40 IFAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2)c2c(n(C)c(=O)n(C)c2=O)N1 959867 UXIDXYARSCXJMA-LJQANCHMSA-N 435.455 2.798 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 1289401 QCKDSAROWPDEBU-INIZCTEOSA-N 426.469 2.855 0 40 IFAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 2658798 WNSBQUZJEKRGKI-HXUWFJFHSA-N 446.459 2.938 0 40 IFAB CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1 3517935 QZQWZECQTLWQSY-HXUWFJFHSA-N 447.557 2.729 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCOC)cc2c1 6090243 YZXKNXPVOGEUEN-UHFFFAOYSA-N 426.542 2.845 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 9127395 UWAOGDNCKDXCDO-UHFFFAOYSA-N 444.528 2.908 0 40 IFAB COc1cc(NC(=O)CCCNC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC 9184320 FDDDMUJNSYSRIR-UHFFFAOYSA-N 442.472 2.599 0 40 IFAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@@]3(C)CCS(=O)(=O)C3)n2n1 9467250 NTAGKEBCBNBKLG-NRFANRHFSA-N 444.582 2.799 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cccnc1)c1ccc2c(c1)OCO2 9469468 LQWSOJUZPDPOFW-UHFFFAOYSA-N 426.450 2.977 0 40 IFAB COCCn1cc(C(=O)Nc2ccc3c(c2)OCO3)c2nn(-c3ccccc3)c(=O)c-2c1 9661609 OXVYAPNCMMAFDD-UHFFFAOYSA-N 432.436 2.766 0 40 IFAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@@H]2c2ccc(CC)cc2)cc1 10232119 CNBHTUZZSNEDAW-HXUWFJFHSA-N 433.468 2.959 0 40 IFAB CCOC(=O)C1=C(COc2ccc(Cl)cc2C(N)=O)NC(=O)N[C@H]1c1cccs1 11267600 RZUVFPZWSYKBII-INIZCTEOSA-N 435.889 2.751 0 40 IFAB O=S1(=O)CC[C@@H](n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccc(Cl)cc2)C1 11795952 AJPRIKIKOMNYRE-CYBMUJFWSA-N 441.918 2.957 0 40 IFAB Cc1ccnn1CCC(=O)N[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)C(C)C 12182904 YYMKDGUKMGGSKU-HXUWFJFHSA-N 429.471 2.925 0 40 IFAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(S(N)(=O)=O)cc1 12629045 XSYVHFGLASSXON-ZDUSSCGKSA-N 441.538 2.685 0 40 IFAB COc1cc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc(OC)c1OC 12857106 LZWULTBBESFDJL-UHFFFAOYSA-N 425.470 2.809 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1OC 13038789 WFYHWWYITHEOJI-HSZRJFAPSA-N 425.485 2.912 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)/C=C/c3ccccc3)n2)cc1 13798694 GJRCWWNRDHCXKP-SAPNQHFASA-N 425.510 2.899 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 14247753 WZHYIHLVTGQEFG-QFIPXVFZSA-N 445.585 2.709 0 40 IFAB CCCn1nnnc1COC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OCC 18970277 FQECLMZIXRHYCG-UHFFFAOYSA-N 449.467 2.635 0 40 IFAB O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19404885 OOKFAJOIQBRXLW-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB CCN1CCN(C(=O)CN2CCCC2=O)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527490 PGNGRVHIEDMYOH-HSZRJFAPSA-N 433.552 2.825 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)c2sc(C)nc2C)nc2c1CCN(C(C)=O)C2 19708570 WUXZDXPZFCRURJ-KRWDZBQOSA-N 428.562 2.864 0 40 IFAB Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(S(C)(=O)=O)CC4)nc32)cc1 19739340 YSLVBTWWYADJKQ-UHFFFAOYSA-N 428.558 2.712 0 40 IFAB COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(Cc4ccc(Cl)cc4)CC3)nc21 19743044 LPTLASAYJOOHNR-UHFFFAOYSA-N 442.947 2.775 0 40 IFAB CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 22615077 SCPUNCCAVBBECG-ZFWWWQNUSA-N 430.530 2.605 0 40 IFAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1C 25203611 PQXFVLVKOFMLRZ-QGZVFWFLSA-N 436.464 2.874 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3F)CC2)cc1 25607961 YMXIGNOYOMSOQE-UHFFFAOYSA-N 436.530 2.654 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(Cc3c(C)noc3C)o2)n1 28572728 RZWQPBNNYCBKFR-UHFFFAOYSA-N 447.469 2.833 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1OC 30866669 DTZBBXGAHDOBFE-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32668406 CBKOXNNZOZDDOO-OAHLLOKOSA-N 440.481 2.752 0 40 IFAB C[C@@H]1CCCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 32931453 RHJPCVMXCZWSIB-LJQANCHMSA-N 441.597 2.895 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)O)c(Cl)c3)C2=O)o1 35086570 FBCWKHDOFHYGGN-DOQDJBIESA-N 448.815 2.664 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 36614539 SJKRGYBVGLSXDW-UHFFFAOYSA-N 433.961 2.973 0 40 IFAB Cc1cc(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)c(C)cc1Br 40062144 ROJGFKRPTQWYHC-UHFFFAOYSA-N 435.409 2.698 0 40 IFAB O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)o1 40110388 YDDFVWFPXBKOHK-UHFFFAOYSA-N 447.344 2.998 0 40 IFAB CC(C)Oc1ncccc1CNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 48234954 NIKJSDHVQUQSTE-UHFFFAOYSA-N 426.498 2.995 0 40 IFAB Nc1nc(N2CCN(c3ccccc3Cl)CC2)ncc1S(=O)(=O)c1ccccc1 49007265 UPEVYEKDYXPMQW-UHFFFAOYSA-N 429.933 2.872 0 40 IFAB C[C@H](NCC(=O)NCCSc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 49609532 RAFQSOHWNCEOLP-ZDUSSCGKSA-N 427.979 2.547 0 40 IFAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Br)c(C)c2)CC1 56906487 KFBYDHBXHVWPEU-UHFFFAOYSA-N 435.322 2.991 0 40 IFAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2c1 57589631 VSTSKESLFRLKNU-QFIPXVFZSA-N 448.502 2.557 0 40 IFAB CC(C)Cc1nnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 61717623 GVYMQQOMQOIWNF-AWEZNQCLSA-N 434.541 2.735 0 40 IFAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(Br)o1 77196641 MJZKXQVNTTZQMG-UHFFFAOYSA-N 429.278 2.806 0 40 IFAB CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)cc1 79066773 TVHPXHHSXHPMDB-OAQYLSRUSA-N 425.529 2.823 0 40 IFAB CC(C)c1nccn1Cc1cccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)c1 84631249 RBOCDAJKLUZSAR-UHFFFAOYSA-N 426.550 2.843 0 40 IFAB O=C(Cn1ncc2ccccc21)N1CC[C@H](N(C(=O)Cn2ncc3ccccc32)C2CC2)C1 89873284 DLMIMBNIHBLANP-NRFANRHFSA-N 442.523 2.678 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1 90582860 QDPBXMKMEZZCEM-UHFFFAOYSA-N 447.494 2.522 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)CC1 95392687 NFFQZVGLFPAGOZ-UHFFFAOYSA-N 426.542 2.675 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCN4C(=O)Cc4ccccc4)nn3c(O)c2C1 100234901 MGXDJERFOHBYIA-OAQYLSRUSA-N 445.523 2.636 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 101167066 ODWOKVLCQOARLV-IAGOWNOFSA-N 445.273 2.960 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101322961 ZWLDBYMBWNRDLB-HOTGVXAUSA-N 439.530 2.992 0 40 IFAB C[C@@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103072583 BBSMPINLNMSYNB-WCFLWFBJSA-N 444.841 2.622 0 40 IFAB CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 165708774 BBHCBLBREYXTOQ-USNOLKROSA-N 426.513 2.714 0 40 IFAB CC[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O 219090157 CQGIVZZSVPLMCL-GOSISDBHSA-N 428.514 2.940 0 40 IFAB CCOc1cccc(N(CC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)c1 219144317 MOZWBAZYBHUTQF-UHFFFAOYSA-N 444.513 2.526 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220184268 MXAYQOWMDRARGJ-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224418806 GUQQLMHMPQLFKZ-UHFFFAOYSA-N 448.932 2.810 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 224543521 VEHMZOXTHBXJQS-IBGZPJMESA-N 433.530 2.580 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC[C@H](c2nc(C)c(CC(=O)N(C)C)c(C)n2)C1 257217041 CXEPIUHJIALENY-KRWDZBQOSA-N 440.544 2.761 0 40 IFAB Cc1nc([C@H]2CCN(CC(=O)N3CCCCC3)C2)nc2c1CCC(=O)N2CCC(C)C 257236651 HDCDLTFSTJBZAV-IBGZPJMESA-N 427.593 2.912 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 408619100 LZUSBZXWYZLJLQ-UHFFFAOYSA-N 447.557 2.890 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)cc1 408666345 YSUARGHPAQJSOZ-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OCC 408677461 CZBBAWSGRFSZNI-UHFFFAOYSA-N 428.532 2.681 0 40 IFAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 408714290 NEEUQRFQQLEWCC-UONOGXRCSA-N 435.373 2.830 0 40 IFAB CO[C@@H]1C=C[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@H](C)CCC=C1C 585660734 XBLHNZRXAORYAC-DNLJFXLDSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro COc1ccc(Cn2cc(C(=O)NC[C@H](Cc3ccccc3Cl)C(N)=O)cn2)cc1 597779161 QHFOLIZJXFNQAE-KRWDZBQOSA-N 426.904 2.667 0 40 IFAB Cc1ccc(C(=O)N2CCN3[C@H](C2)C(=O)N(Cc2ccccc2)C32CCOCC2)s1 1772595465 ZPPYWRAPYADEPR-LJQANCHMSA-N 425.554 2.732 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888921999 ZBVYRHMEKBJFMS-MRXNPFEDSA-N 445.520 2.723 0 40 IFAB CC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 3007751 GAHFPYNGWZUKQG-UHFFFAOYSA-N 433.464 2.524 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(N)=O)cc3)C2=O)c1 4471883 QPWBNASRBFQENL-LICLKQGHSA-N 425.466 2.534 0 40 IFAB CC(C)[C@H]1C(O)=Nc2ccccc2N1C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)O)C(C)C 8768957 MKGAFIGIUOMEDF-KURKYZTESA-N 430.505 2.929 0 40 IFAB O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 8894792 CPZJSSLSSILIIS-GOSISDBHSA-N 443.550 2.973 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 8938974 KDPCVHOESUNZQV-SFHVURJKSA-N 430.526 2.821 0 40 IFAB COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)c1 9124443 WVLVJRNNRQIQNJ-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB COc1ccc(-c2noc(CN(C(=O)CN3C(=O)c4ccccc4C3=O)C(C)C)n2)cc1 9194111 QOJRORRRHLVUJH-UHFFFAOYSA-N 434.452 2.778 0 40 IFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O 9579949 QODHINQOORTELR-PIGZYNQJSA-N 441.269 2.730 0 40 IFAB Cn1cc(C(=O)NCc2ccc(Cl)cc2)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 9659638 HNRGVKIJNYCFOX-UHFFFAOYSA-N 426.835 2.740 0 40 IFAB COc1ccccc1CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 9708129 LLDVOPJCGAJYPT-OAQYLSRUSA-N 433.508 2.867 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1 9746784 OTZYVXBEQBLKHL-INIZCTEOSA-N 439.534 2.575 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)C2CC2)cc1 9751655 DSSMETTWIQIGOL-HSZRJFAPSA-N 443.450 2.932 0 40 IFAB CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 9789380 DUKUAZVBJSQJNS-BFUOFWGJSA-N 429.498 2.550 0 40 IFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 9869967 WWDULSPXUSQANJ-UHFFFAOYSA-N 444.582 2.919 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCC3)cc1 10186731 OAWXHAHMNGVTRL-UHFFFAOYSA-N 449.536 2.865 0 40 IFAB Cc1ccc(Cn2c3c(=O)n(C)c(=O)n(C)c3n3c(-c4ccc(Cl)cc4)nnc23)cc1 10968825 TUIMOSGTLIMMLX-UHFFFAOYSA-N 434.887 2.759 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCCC[C@H]3c3cccnc3)CC2)Nc2ccccc21 12085889 WXRKTCCSSNTSOU-OFVILXPXSA-N 447.539 2.700 0 40 IFAB CCc1[nH]c(C(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1C(=O)OC 12533354 JQAUEBUWVYFQBK-INIZCTEOSA-N 427.501 2.566 0 40 IFAB CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 12744424 DWYLVRIABMZPDY-AEFFLSMTSA-N 441.509 2.822 0 40 IFAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(OC)c1 12821221 IKRKZYISHAUBKQ-UHFFFAOYSA-N 444.553 2.729 0 40 IFAB Cc1ccc(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C 12880903 DJQLHEHYOSXHII-UHFFFAOYSA-N 444.340 2.921 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)cc1 12917225 COLNCSGNWGGYIR-ZDUSSCGKSA-N 447.542 2.938 0 40 IFAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1cccnc1 13566407 GSCZQXXNMPLXJT-UHFFFAOYSA-N 437.521 2.837 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)c1 14919926 VOWQWEKMXDXYNG-INIZCTEOSA-N 436.965 2.685 0 40 IFAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 17178639 TVHNVTZEYWXZGG-GOSISDBHSA-N 437.418 2.713 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2nc(O)cc(-c3ccccn3)n2)C1 19134412 ROLVRTJYACXHAJ-OAHLLOKOSA-N 426.498 2.739 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)CC1 19520275 BHXKJMKJRAKBOM-IBGZPJMESA-N 431.562 2.587 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 19522992 LEEMAIJIMWZFHG-JOCHJYFZSA-N 430.512 2.547 0 40 IFAB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1c[nH]c2ccccc12 19680830 OCGUFZAGXCYCHR-UHFFFAOYSA-N 428.485 2.782 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3N)C2)ncc1C(=O)NCc1ccc(F)cc1 19765509 KIZLQJWIUZUAOE-QGZVFWFLSA-N 448.502 2.851 0 40 IFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccc(C(F)(F)F)cc1 21712944 YJTACSHPBDLUBH-UHFFFAOYSA-N 427.375 2.862 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)Cc1ccccc1Cl)CSC2)NC[C@H]1CCCO1 23139178 OODTZVKIFMPMLE-CQSZACIVSA-N 434.949 2.760 0 40 IFAB CN(CC(=O)NCc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc2ccccc2c1 24577283 DFZFPANKWRYECU-UHFFFAOYSA-N 442.522 2.888 0 40 IFAB O=C(Cn1ncc2ccccc2c1=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 28506981 MJDPEMDYYRDCOT-UHFFFAOYSA-N 445.548 2.864 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2Oc2ccccc2)NC(=O)N[C@H]1CC 32666192 BGWNDRQHPHMGCX-INIZCTEOSA-N 425.441 2.939 0 40 IFAB Cn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2cc(S(N)(=O)=O)ccc21 32946579 MOHIYHWRLBUBCS-MRXNPFEDSA-N 430.555 2.507 0 40 IFAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(C)cs1 35225765 OIBICBQUOLVMTF-UHFFFAOYSA-N 446.558 2.732 0 40 IFAB CC(=O)N1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CC1 57860209 WVOVUZFNCYFGHK-NRFANRHFSA-N 427.932 2.762 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc([C@H]2CCCN(S(C)(=O)=O)C2)nc1 72374399 KNXZGETUIGUCMY-SFHVURJKSA-N 439.541 2.873 0 40 IFAB COc1ccc(C[C@H](CO)CNC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O 79076268 WTHCCQFLARPOFU-WMZOPIPTSA-N 442.556 2.784 0 40 IFAB CN(C(=O)COC(=O)c1ccc(NC=O)cc1)c1ccccc1C(=O)NCc1ccco1 89365563 GRWZDWRVMOMFBN-UHFFFAOYSA-N 435.436 2.598 0 40 IFAB NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]1c1ccccc1O 103890809 LNLNNOKYZLOYAG-NSHGMRRFSA-N 445.500 2.590 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 223002252 KGFWRIWOEWPAQU-NRFANRHFSA-N 435.524 2.925 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223606916 SASODUUKKQARRR-IBGZPJMESA-N 445.585 2.623 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCn3ccnc3)c2)cc1 224285211 RXZOWBAQZKNRRN-UHFFFAOYSA-N 428.514 2.537 0 40 IFAB CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 224347025 PNBCGRNFINXICP-UHFFFAOYSA-N 439.541 2.847 0 40 IFAB CN1CCN(C(=O)C[C@H]2CN(C(=O)CC3CC3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 257308537 TXCPEOVZYDOJCG-RXVVDRJESA-N 433.980 2.900 0 40 IFAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)C1 306141558 WANWOGXDFVWYGU-HNNXBMFYSA-N 448.495 2.682 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408666676 RNEBORAFABGCGS-AYJQOQHFSA-N 446.503 2.811 0 40 IFAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)c4ccc(N5CCCCC5)nn4)C[C@H]3C2)nn1 1888863790 RDFJSTHXNHCLFR-QZTJIDSGSA-N 435.576 2.763 0 40 IFAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2)cc(C(=O)OC)c1 834049 JHGWAPONRAIFDC-UHFFFAOYSA-N 428.260 2.823 0 40 IFAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN(C)C)CC(=O)N32)c1 2157425 QKRMGQWGVIDUHD-DHLKQENFSA-N 446.551 2.813 0 40 IFAB biogenic COc1ccc(OC)c(/C=C/C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c1 2659092 GJLDIMTUBOOEPS-BJMVGYQFSA-N 435.379 2.818 0 40 IFAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N 3302294 OPOXJOZECKYLPH-UHFFFAOYSA-N 432.333 2.517 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(CC)cc2)n1 4400511 BJEGVOQCLGEYOM-UHFFFAOYSA-N 432.531 2.518 0 40 IFAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1nnc(C)s1 6878497 AHOADOHJQCRKFT-UHFFFAOYSA-N 445.574 2.987 0 40 IFAB CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccco2)n(C)c(=O)n3C)CC1 9561417 RVBSZMGDRSUFTD-UHFFFAOYSA-N 426.473 2.502 0 40 IFAB COc1cc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc(OC)c1 9608570 WDJAGLPEOKNODG-UHFFFAOYSA-N 432.278 2.941 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cccc(F)c3)C2)cc1 9673732 BJBVJVQAHZDANL-GOSISDBHSA-N 433.461 2.740 0 40 IFAB COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnc(C)s2)c1 10254788 GZVYILWVXOXSFQ-UHFFFAOYSA-N 432.527 2.956 0 40 IFAB COC(=O)C1=C(CNCCc2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1C 12463038 UYJQNANPEPPCGH-JOCHJYFZSA-N 439.512 2.626 0 40 IFAB Cc1ccccc1[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12556647 BMEUEUXXBPILGB-MRXNPFEDSA-N 428.558 2.942 0 40 IFAB O=C([C@H]1Cc2ccccc2O1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 12932873 LLXBZEAZVMPUPY-HXUWFJFHSA-N 436.899 2.538 0 40 IFAB COc1ccccc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1 13150898 DIXMDGZTLPNOCY-OFNKIYASSA-N 434.544 2.772 0 40 IFAB COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN(S(C)(=O)=O)CC1 13810675 SGCRJODAJONNRS-LJQANCHMSA-N 427.526 2.990 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccnn1Cc1ccccc1 14190192 USFNNHBDWQLJJV-UHFFFAOYSA-N 440.525 2.513 0 40 IFAB CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccc(C)cc1 16678336 CXTVUTCORZTGCO-UHFFFAOYSA-N 429.586 2.971 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)cc1 17043332 MFSVSAOJZJTMEH-SFHVURJKSA-N 432.523 2.597 0 40 IFAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1OC 19567811 ZBCCSNWSSVOMFL-INIZCTEOSA-N 429.517 2.668 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN3C(=O)c3cnccn3)nc21 19740007 XSMHJLFKSMHVMN-LJQANCHMSA-N 444.495 2.650 0 40 IFAB CCN(CC)C1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CC1 19751693 SKCKUAOWIFDUEQ-UHFFFAOYSA-N 428.508 2.573 0 40 IFAB Cc1nn2c(=O)cc(CSc3nnc(NC(=O)COc4ccccc4)s3)nc2s1 20983466 CAPOCIILJDWYKX-UHFFFAOYSA-N 446.539 2.621 0 40 IFAB CCOc1cccc(CNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 22517283 COFOULAAMXNTAC-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)c1)C1CC1 25404086 KXYHEGVKPORMCT-LJQANCHMSA-N 445.516 2.644 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)N[C@H]1CCOc2ccccc21 27675492 DMZPLCDKTITZNF-SFHVURJKSA-N 425.510 2.511 0 40 IFAB O=C(CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccccc21)NC1CCCC1 35312499 BVJPJDHXMSALER-UHFFFAOYSA-N 427.526 2.561 0 40 IFAB CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(C(=O)n4nc(C)cc4C)cc32)cc1 35314809 RQVDVDTWQZUSND-UHFFFAOYSA-N 448.479 2.951 0 40 IFAB Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 36023378 CFYVOVNTGUPIAB-UHFFFAOYSA-N 443.617 2.640 0 40 IFAB Cc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(F)cc4)c3=O)n2)cc1C 38486763 VOLQZHNZZYZZNB-UHFFFAOYSA-N 431.431 2.891 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 44883744 HUAJMPTVTUHSTI-HNNXBMFYSA-N 438.571 2.741 0 40 IFAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 48252377 UIAZGSXSLDOWQO-GOSISDBHSA-N 447.557 2.516 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)CC1 48262718 QDBMTCJGDUIWFK-LGVFNWMJSA-N 444.620 2.520 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)cc1 58049696 RKPHZBRADFSWHH-UHFFFAOYSA-N 441.509 2.726 0 40 IFAB NC(=O)[C@H]1CC(C(=O)NCc2cccnc2Oc2cccc(F)c2)=NN1c1ccccc1 58224832 FYUMIHWEWAIKEO-HXUWFJFHSA-N 433.443 2.749 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 71286275 RANNVVJXUGDICW-UHFFFAOYSA-N 429.908 2.769 0 40 IFAB C[C@@H]1CN(CC(=O)NC[C@@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 72308700 AMIVIOXLGKSOEE-FPOVZHCZSA-N 441.597 2.700 0 40 IFAB COc1cc(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)ccc1OCC(N)=O 72375746 AITRRPKHOZLHJR-SFHVURJKSA-N 434.500 2.825 0 40 IFAB Cn1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(-c2ccccc2)c1=O 77100620 FHUASXLSYYVIOQ-CYBMUJFWSA-N 438.962 2.854 0 40 IFAB Cn1nc(C2CCN(CC(=O)Nc3cc(F)ccc3F)CC2)n(-c2ccccc2)c1=O 77100654 RWPCHVPZEZZVFH-UHFFFAOYSA-N 427.455 2.667 0 40 IFAB COc1ccc2c(ccn2CCNC(=O)C[C@@H]2N=C(O)N(CCc3ccccc3)C2=O)c1 95478737 YMNRFLKDCORMEU-FQEVSTJZSA-N 434.496 2.524 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1 100036739 XHVRNTPDGGNIOS-MSOLQXFVSA-N 427.848 2.589 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cc(F)ccc3F)C2=O)cc1Cl 101168986 GYPDRMMKRFBZJU-SJORKVTESA-N 449.801 2.559 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 113942323 FEYXFPQLHLVZEX-UHFFFAOYSA-N 442.585 2.784 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)n2)c1 222592106 MIBLCBVFRVWXDB-UHFFFAOYSA-N 426.498 2.905 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc3ccccc3c1)O2 223623895 IIXFHWCFZRPTKG-QFIPXVFZSA-N 440.521 2.870 0 40 IFAB CN1CCN(C(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)CC1 225865054 HQTHRYRXOASITJ-UHFFFAOYSA-N 433.961 2.869 0 40 IFAB Cc1ccc(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)cc1F 257247610 IZSDWLIXXWICLT-UHFFFAOYSA-N 425.570 2.989 0 40 IFAB Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 257254714 KEIRAGLHFWYQIJ-OAQYLSRUSA-N 448.571 2.522 0 40 IFAB CCn1cc(S(=O)(=O)N2CCN(C)C(=O)[C@H]2Cc2ccc(-c3cccs3)cc2)cn1 257288656 PVCAHOCZFAWXNM-LJQANCHMSA-N 444.582 2.706 0 40 IFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1ccnc1 408619149 MLIMCIGZYAWRKM-UHFFFAOYSA-N 432.933 2.938 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1 408655987 DXODWSMQVMKHLI-ZYNNUQKQSA-N 446.459 2.802 0 40 IFAB CN(Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1)S(C)(=O)=O 408702491 GYEOOJKZYHKMHN-UHFFFAOYSA-N 430.570 2.938 0 40 IFAB Cn1cc(CCC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c2ccccc21 585165379 MSJCPMPFJZIUCM-LJQANCHMSA-N 449.555 2.713 0 40 IFAB Cc1ccc([C@H](CC(F)(F)F)NS(=O)(=O)c2cnc3nc(O)nc(O)c3c2)cc1 1662625214 GINBYLMKDUBJCK-ZDUSSCGKSA-N 428.392 2.716 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775968875 YBAXNLHFKCYODJ-GFCCVEGCSA-N 430.299 2.858 0 40 IFAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1 1888922038 SGEQCGUKACPZBN-FDDCHVKYSA-N 433.516 2.699 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)cc1 932333 NWALTZKXXFCZIW-UHFFFAOYSA-N 443.485 2.587 0 40 IFAB COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)cc1 1268973 BSWMKEPCZYIBMH-UHFFFAOYSA-N 425.876 2.746 0 40 IFAB COc1ccccc1/C=C/C=c1\sc2nc(=O)c(Cc3ccccc3Cl)nn2c1=O 1451321 BWOPVGDPTXLRNR-MUFYDRSQSA-N 437.908 2.977 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CC2 8764591 BHNZBBAZUZDDFY-AWEZNQCLSA-N 441.484 2.570 0 40 IFAB biogenic O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccccc1C(F)(F)F 8954932 DWTLBWKUEOIZCU-UHFFFAOYSA-N 429.445 2.969 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccc(OC)cc34)CC2=O)c(OC)c1 9197012 URFQSOYDFOGNIC-INIZCTEOSA-N 437.496 2.906 0 40 IFAB CCc1nnc(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)s1 9415981 DDBIWAXPJFOEAS-CSKARUKUSA-N 436.559 2.936 0 40 IFAB CC(C)c1ccc(-c2nnc(NC(=O)Cn3nc(C(N)=O)c4ccccc4c3=O)s2)cc1 9712869 JRXAHJGQJKUWEF-UHFFFAOYSA-N 448.508 2.776 0 40 IFAB COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(OC)c1 9985616 MYIBYBGABOEKKY-QKFKETGDSA-N 446.500 2.567 0 40 IFAB CC[C@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11498115 FSFKMMUBQJQQMN-OAQYLSRUSA-N 433.549 2.617 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccccc3C)CC1)NC2=O 12086529 HLNLPRXJHJYWBX-CJAUYULYSA-N 434.540 2.872 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc(-c2csc(C)n2)s1 12397138 RCWRAOFPWLZZJV-UHFFFAOYSA-N 437.568 2.809 0 40 IFAB CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12813390 KIKLIABANTZUPG-AWEZNQCLSA-N 438.579 2.548 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 12853420 HEJGUYRCENWEFD-UHFFFAOYSA-N 428.963 2.652 0 40 IFAB CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccc(OC)cc1 12948738 ZLLHVPKENDLIIQ-MRXNPFEDSA-N 427.320 2.986 0 40 IFAB CC(=O)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 13040820 VHMCTMLJDDHCFX-UHFFFAOYSA-N 428.466 2.978 0 40 IFAB COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14068126 YBBHICCWDYWEEG-UHFFFAOYSA-N 428.869 2.761 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4ccccc4n3C)CC2)cc1C 15132358 JIHVROZORJTMKO-UHFFFAOYSA-N 440.569 2.907 0 40 IFAB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)N1CCN(CCOc2ccccc2)CC1 15554622 FXZQIJFVAGLXKU-VOTSOKGWSA-N 439.468 2.698 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 16685044 HXBUYEDMYNAGKR-IBGZPJMESA-N 440.887 2.874 0 40 IFAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 16850446 FNOAYBNKLWKUBC-UHFFFAOYSA-N 430.511 2.570 0 40 IFAB Cc1ccccc1C1(O)CCN(CC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 19236909 PJQQDRZUBUYOHR-SFHVURJKSA-N 442.581 2.872 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)[nH]c(=O)c2C1 19239454 XWLIUARWVUFZOV-NRFANRHFSA-N 449.555 2.916 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@@H]3c1cccc(F)c1 20308464 MIKPPJKQHIGKLS-OAQYLSRUSA-N 438.455 2.818 0 40 IFAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C 20467092 BJGQPUPLKOIZNJ-JZCCEULGSA-N 434.577 2.877 0 40 IFAB biogenic,in-vitro COc1ccc(CCCNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 22335851 HTDQPFMXYPWRMM-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB CCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2cc(S(N)(=O)=O)ccc21 23105639 DWZPNAMULGKQLB-UHFFFAOYSA-N 429.527 2.541 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 23386127 WHDNJWCKEDMDBC-UHFFFAOYSA-N 441.509 2.648 0 40 IFAB Cc1ccc(CN(C)S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 26752738 ZLEYGIOCAWRNFL-UHFFFAOYSA-N 425.304 2.909 0 40 IFAB Cc1cccn2c(NC(=O)Cn3nnn(-c4cccs4)c3=O)c(-c3ccccc3)nc12 32865605 DNPKPNUWDXOBAN-UHFFFAOYSA-N 431.481 2.752 0 40 IFAB Cc1c(NC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)c(=O)n(-c2ccccc2)n1C 33533733 QTDPTOZZZNSFJX-UHFFFAOYSA-N 440.459 2.872 0 40 IFAB O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c(NC(=O)Cn2cncn2)c1 36397621 YYRVANGMQANQGM-UHFFFAOYSA-N 432.253 3.000 0 40 IFAB CS(=O)(=O)N1CC[C@H](C(=O)NCCSCc2ccco2)Oc2ccc(Cl)cc21 38852146 BDJYDWYMPSKMHU-QGZVFWFLSA-N 444.962 2.900 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 40052223 CNARWEJYXLWHCE-UXHICEINSA-N 441.528 2.633 0 40 IFAB C[C@@]1(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 69084680 MHHHRCUBLQJJSF-WIYYLYMNSA-N 434.945 2.895 0 40 IFAB Cc1cc(C(=O)NC2CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)on1 69416122 AAZASOYKGOWAHF-UHFFFAOYSA-N 433.892 2.761 0 40 IFAB O=C1CCC(=O)N1CC(=O)N(C[C@H]1CCCO1)c1nc2c(C(F)(F)F)cccc2s1 77099413 SQDCFALLNHIAHW-LLVKDONJSA-N 441.431 2.976 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 89909778 KMZVURWAQQAEKT-HXUWFJFHSA-N 433.556 2.876 0 40 IFAB CCCC(=O)N1CCc2nc3cc(C4CCN(CC5=CCCOC5)CC4)nn3c(O)c2C1 100232602 PRMSHXCBBBLLKR-UHFFFAOYSA-N 439.560 2.646 0 40 IFAB COc1ccccc1N1C(=O)[C@H]2NN=C(C(=O)C(c3ccccc3)c3ccccc3)[C@H]2C1=O 100672114 GCXHKNRHZSTLPF-GGAORHGYSA-N 439.471 2.914 0 40 IFAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 101374232 JKOKCYUFCICFQW-UHFFFAOYSA-N 445.535 2.667 0 40 IFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 102422941 RMFISHJSQJVLNJ-CALCHBBNSA-N 440.887 2.832 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 165647173 UHVHIBCOKNYCIX-WYZBVHOTSA-N 426.513 2.841 0 40 IFAB CN(c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(Cl)c1)S(C)(=O)=O 222513354 KHWDEJDSOQAKNN-UHFFFAOYSA-N 425.913 2.837 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 224115277 COYRJJGFUQTHCZ-UHFFFAOYSA-N 438.933 2.974 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@H]12 252394524 ONLBMTKUPJXPHO-DMAMZFHHSA-N 438.094 2.848 0 40 IFAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)c1 260805397 CHISVRKABSBLTB-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@@H](C(=O)NCc2ccc(F)cc2)O3)s1 306137738 REPGDNCTMYCEJP-IBGZPJMESA-N 445.560 2.817 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408655046 HGUQPSVRNOUENC-GAMLAWPCSA-N 442.512 2.623 0 40 IFAB COc1ccc(N2C(=O)N(Cc3noc(C)n3)c3ccccc3S2(=O)=O)cc1OC 1889061964 KWYWUGRBAWXNHS-UHFFFAOYSA-N 430.442 2.731 0 40 IFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCC(Cc2ccccc2)CC1 8025709 YANIVSKPLRBUGX-KRWDZBQOSA-N 427.570 2.566 0 40 IFAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 8718494 JFJRAROAOCUYBK-UHFFFAOYSA-N 443.319 2.588 0 40 IFAB CCOCCCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 8912363 BXQUDATYJZKUKW-UHFFFAOYSA-N 438.980 2.871 0 40 IFAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 8917064 OWQGUVWYYAEYSY-YWZLYKJASA-N 439.489 2.924 0 40 IFAB CCn1c(SCc2c(C)noc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9126405 UFUXGDXEOPKOTE-UHFFFAOYSA-N 436.559 2.974 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)CC1 9134694 BRJYKGSGBWTBBF-NRFANRHFSA-N 444.553 2.795 0 40 IFAB Cn1c(=O)c2c(SCc3nc(-c4ccccc4)no3)nc(C(C)(C)C)nc2n(C)c1=O 9170063 ZXVDXQXWZWXJTC-UHFFFAOYSA-N 438.513 2.667 0 40 IFAB O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9303714 LVJOAHQOOXCRIT-INIZCTEOSA-N 445.516 2.992 0 40 IFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 9465596 LSENVHKZQXJWCQ-SHACYNPGSA-N 435.480 2.741 0 40 IFAB CC1CCN(C(=O)C2CCN(C(=O)[C@H](C(=O)c3ccccc3)n3ccccc3=O)CC2)CC1 9659897 ULDAONYYYRPCKV-QHCPKHFHSA-N 449.551 2.769 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 9672429 HBQFMPNQXQGAAK-UHFFFAOYSA-N 449.540 2.716 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2Cl)c1 9807430 GLWYIZCMOTWYNV-INIZCTEOSA-N 449.960 2.865 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 10032396 VJWCLNCIZKGPQW-UPCLLVRISA-N 437.544 2.665 0 40 IFAB C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC(=O)c1ccccc1 10139176 DKIVHQFHLNUQMN-INIZCTEOSA-N 437.496 2.801 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)c1 10446053 CUMPIQPYKIAXPO-UHFFFAOYSA-N 448.497 2.695 0 40 IFAB COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1S(=O)(=O)N1CCCCC1 11199476 CUEUXGZXEWLAEF-UHFFFAOYSA-N 434.562 2.791 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@H]1CCCO1 11613407 WIJDXMGDZVVGDX-HUUCEWRRSA-N 445.932 2.568 0 40 IFAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cncn2-c2ccc(F)cc2)c(=O)[nH]c1=O 12547326 KIDWHVOYJNAPCH-UHFFFAOYSA-N 442.495 2.547 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OCC(=O)O)cc1)n2CCC(C)C 12556476 QXKYEUOAUGCLLS-UHFFFAOYSA-N 428.489 2.863 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 12608368 SJPDPHYNFUOECA-OAQYLSRUSA-N 430.464 2.630 0 40 IFAB O=C(CN1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1)Nc1cccc(F)c1 12616056 OZLISNLAICWFQC-UHFFFAOYSA-N 443.504 2.653 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)NC(=O)N[C@@H]1C 12639387 WCNMZWWKMUPAIB-LLVKDONJSA-N 432.864 2.509 0 40 IFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NCCCOCC2CC2)cc1 12738376 VFAJQMVIFIMWPM-UHFFFAOYSA-N 432.329 2.634 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12860820 FVVGDFGRLSGNAU-MGPUTAFESA-N 429.904 2.651 0 40 IFAB CCOC(=O)N1CCN(C(=O)Cc2csc(-c3cc(OC)c(OC)c(OC)c3)n2)CC1 13690452 LMHKLMQSNWJIKT-UHFFFAOYSA-N 449.529 2.679 0 40 IFAB O=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cnn1-c1ccccc1 15162804 XGMOWDYBNRZEGN-UHFFFAOYSA-N 448.907 2.536 0 40 IFAB O=C(CSc1nn2c(=O)c3c(nc2s1)CCN(C[C@H]1CCCO1)C3)c1ccccc1 15414339 TYWGLVFBNDTUQH-OAHLLOKOSA-N 442.566 2.663 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 15780568 PNCFQLGARJZZFI-UHFFFAOYSA-N 430.935 2.998 0 40 IFAB COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 15831128 VBAQZAWEEMSAHA-KRWDZBQOSA-N 441.505 2.940 0 40 IFAB Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 19133743 XHOPQJINLZWVMW-CYFREDJKSA-N 443.613 2.870 0 40 IFAB CC(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)Cc3coc4c(C)c(C)ccc34)[nH]c2=O)C1 19221714 ZBIXUPKUXQSEGQ-NRFANRHFSA-N 448.523 2.944 0 40 IFAB Cc1csc2c([C@H]3CCCN(C(=O)CCCN4C(=O)NC(C)(C)C4=O)C3)nc(C)n12 19240402 MRRLILYJDUMNCF-HNNXBMFYSA-N 431.562 2.829 0 40 IFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19577594 FRZXKKGEKSJFAS-UHFFFAOYSA-N 428.509 2.781 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(C(=O)c1ccccn1)C2 19701256 SYQOICSLRNVZFM-LJQANCHMSA-N 446.486 2.534 0 40 IFAB CCN1C(=O)[C@](CN2CCN(c3cccc(Cl)c3)CC2)(NC(C)=O)c2ccccc21 20592199 CAHXVOBDVBGBKK-HSZRJFAPSA-N 426.948 2.860 0 40 IFAB O=C(NCCc1ccccn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 21330489 XSZBIRQEGJMYDM-UHFFFAOYSA-N 441.475 2.860 0 40 IFAB COc1cc(Cl)c(C)cc1NCC(=O)NCc1ccccc1S(=O)(=O)N(C)C 21368182 QPXVGIZUGHXFJV-UHFFFAOYSA-N 425.938 2.636 0 40 IFAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 22766611 CGEDCKWPAPYANR-MRXNPFEDSA-N 443.447 2.775 0 40 IFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 31517067 NSEAGHWYWDERQT-CYBMUJFWSA-N 447.285 2.993 0 40 IFAB Cc1cc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n2ncnc2c1 32853446 UHAODOMZPLJICV-UHFFFAOYSA-N 434.422 2.697 0 40 IFAB CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@H]1CCS(=O)(=O)C1 32900169 CABHVONIXPMTKU-HNNXBMFYSA-N 434.518 2.784 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)N2CCOCC2)cc1 32902363 STZALFQCEUTPFA-GOSISDBHSA-N 439.434 2.835 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)c1 57489810 MGNGINYBCDASAG-UHFFFAOYSA-N 435.505 2.847 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c2)C[C@@H](C)O1 58196605 MQTRKODKGKIYAR-QKLQHJQFSA-N 448.589 2.526 0 40 IFAB CO[C@@H]1/C=C/[C@@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@@H](C)CC/C=C/1C 67913526 XBLHNZRXAORYAC-WLLPQAGNSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)C1 68816375 DJCBMHPALGSZEU-ROUUACIJSA-N 436.574 2.973 0 40 IFAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc(OC)c1 71327267 QQRZYURICJMKDM-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB CC(=O)N1CCC(Cc2cc(-c3ccc(F)cc3)no2)(C(=O)N2CCC[C@@H](O)C2)CC1 72395293 OOLCTKAXQNFKQJ-LJQANCHMSA-N 429.492 2.635 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)NCCn1ccc2ccc(Br)cc21 72400860 SJAUVXFGYCBBAM-UHFFFAOYSA-N 440.301 2.715 0 40 IFAB O=C(NCCn1ccc2ccc(Br)cc21)[C@@H](c1ccccc1)n1cnnn1 80328244 YHPDFOUYXHRELC-GOSISDBHSA-N 425.290 2.796 0 40 IFAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)C(=O)Nc1ccc2c(c1)OCCO2 90613769 TVAWGWGQMJXRTH-GOSISDBHSA-N 430.507 2.917 0 40 IFAB COc1ccc2c3c1O[C@@H]1[C@H](Oc4nnnn4-c4ccccc4)C=C[C@@H]4[C@H](C2)N(C)CC[C@@]341 103836323 UPQLBICYPVVGMW-ZTTBMTQGSA-N 443.507 2.564 0 40 IFAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 222749649 QPOMDCDEILOCQH-KRWDZBQOSA-N 444.553 2.992 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)CC1 223107152 GQSXPZLARKZVPL-LBPRGKRZSA-N 448.317 2.795 0 40 IFAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(OC)c(C)c1 223230640 GGYYHOPCFDFCOR-OAQYLSRUSA-N 445.585 2.821 0 40 IFAB COCCCNC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 223392269 CJSXRTRUAWHHHS-UHFFFAOYSA-N 436.530 2.604 0 40 IFAB CCN1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 224433917 PNFOWTLUCZRBFL-UHFFFAOYSA-N 435.977 2.938 0 40 IFAB CCCSc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)s1 225163662 DTFCKTQOTHJSGK-CYBMUJFWSA-N 428.561 2.514 0 40 IFAB CO[C@H]1CC[C@H](C(=O)N2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)CC1 257257962 KRUHTMDOTXUALH-IRJFHVNHSA-N 428.533 2.553 0 40 IFAB Cc1ccsc1CN1CCC2(CC1)CN(C)S(=O)(=O)c1cnc(NC(C)C)nc12 306127687 GEWWCFRQXZOYRE-UHFFFAOYSA-N 435.619 2.835 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)N(C)C1=S 409209985 KEGNOXCTKXOMST-YVLHZVERSA-N 444.484 2.986 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)NC2COC2)C12CCN(C(=O)C(C)(C)C)CC2 1549174383 ATKPIEPPOKCGLX-HXUWFJFHSA-N 441.572 2.557 0 40 IFAB COC(=O)Cn1cc(CN2CCc3c(O)nc(-c4ccccn4)nc3C2)c2ccccc21 2038006026 ZVNZFGKPKDXHDD-UHFFFAOYSA-N 429.480 2.930 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1OCC 3301640 XTOSXICPWIDIQI-MRXNPFEDSA-N 440.496 2.735 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nnc3sc4ccccc4n23)c1 4199878 PSKCNGBEPMUTMF-UHFFFAOYSA-N 447.567 2.925 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C 4410971 OGSSNVWEJUTHOS-UHFFFAOYSA-N 432.531 2.952 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 6408135 QHVSJCRJTAEBDZ-UHFFFAOYSA-N 428.510 2.612 0 40 IFAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9184536 STKUEEGDUXCSPB-INIZCTEOSA-N 445.516 2.992 0 40 IFAB Nc1nc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)nc(Nc2ccc(F)cc2)n1 10026758 UKHMDZYAMQMVCP-QFIPXVFZSA-N 433.447 2.620 0 40 IFAB COc1cccc(-c2nc(COC(=O)c3cc(S(N)(=O)=O)ccc3OC)cs2)c1 10455695 BIKKTMCVUCNFSS-UHFFFAOYSA-N 434.495 2.832 0 40 IFAB O=C(CSc1nnc(N2CCCCC2)n1C[C@H]1CCCO1)NCc1ccc(F)cc1 11431227 DTNZCHFEUVBCJI-GOSISDBHSA-N 433.553 2.995 0 40 IFAB CCn1c(COc2ccc(-c3nnco3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 12629331 DBKHOPXHJPXBQA-UHFFFAOYSA-N 427.486 2.936 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCNC(=O)[C@H]2c2c(C)nn(-c3ccccc3)c2C)c1 12817174 MVVVMCPMWIGKEQ-JOCHJYFZSA-N 438.553 2.968 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)OCc1cc(=O)n2c(n1)sc1ccccc12 13132114 MKYJYISVCJERRI-UHFFFAOYSA-N 428.491 2.816 0 40 IFAB COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C=C(C)C)s2)CC1 13564550 NOXGEYVNGCPERT-UHFFFAOYSA-N 447.586 2.892 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)c1C 14015669 SDWPSMACYHSICE-UHFFFAOYSA-N 437.518 2.710 0 40 IFAB O=C(c1cccs1)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 14247842 QZDUSQGXJSZVRI-UHFFFAOYSA-N 443.388 2.742 0 40 IFAB Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccc(=O)n(C)c4)n3C)sc2c1 16849535 YXFITYKKKJIHBS-UHFFFAOYSA-N 426.527 2.830 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cccnc2)CCO1 19529293 GOWGSKIGEPMDIB-VWLOTQADSA-N 430.508 2.734 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3snnc3C)CCO2)c1 19692795 LBGIKGDEAMJEAK-QGZVFWFLSA-N 440.529 2.592 0 40 IFAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2C(=O)C(C)(C)OC)cc1 19766745 YLCLZUCREOMRFY-IBGZPJMESA-N 426.517 2.812 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 22337907 OBCLRZYQVDCVJQ-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB COCc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1Cc1ccccc1 22448558 YQYTZAQGRKEYGO-UHFFFAOYSA-N 448.523 2.558 0 40 IFAB Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)s2)o1 24779977 XGZAIYITSYTDIA-UHFFFAOYSA-N 435.513 2.958 0 40 IFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 32592563 MQMVWFIHWAYCRZ-WEVVVXLNSA-N 438.889 2.949 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 32760753 GJGDQKPNTRZCLF-FQEVSTJZSA-N 425.916 2.929 0 40 IFAB CN(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1Cl 32855981 XOUQIRBNSHDJFG-QGZVFWFLSA-N 430.979 2.862 0 40 IFAB COc1ccc(-c2nnc(CN3CCC(NS(=O)(=O)c4ccccc4)CC3)o2)cc1 32879631 BGDAFDXGMUYLDP-UHFFFAOYSA-N 428.514 2.688 0 40 IFAB CCS(=O)(=O)N1CCc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc21 32903003 PTCWGKZSGBEUJS-UHFFFAOYSA-N 431.539 2.974 0 40 IFAB COc1cc2c(cc1NC(=O)CN1CCC[C@@H](CNS(C)(=O)=O)C1)oc1ccccc12 32916334 GIJFFRNZHZCYSQ-HNNXBMFYSA-N 445.541 2.794 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1ccc(N3CCOCC3)c3nonc13)[C@H]2C(=O)O 35898141 AQSHUXMEBUYNTN-DECQCQTCSA-N 426.473 2.691 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)CC1 39986897 GXJFMECLWZUPKU-UHFFFAOYSA-N 432.542 2.652 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 40087669 PKUWXNBKAWJDBF-INIZCTEOSA-N 426.579 2.969 0 40 IFAB O=C(CCC(=O)N1CCc2sccc2C1)N1CCN(CCOc2ccccc2)CC1 40156682 HWQAFKVAGUNQNS-UHFFFAOYSA-N 427.570 2.636 0 40 IFAB CCc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O 44899989 OGXRHYBSZVABIB-UHFFFAOYSA-N 426.542 2.826 0 40 IFAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccc(N2CCNC2=O)cc1 48304016 SQFBSCOCRWNSGX-UHFFFAOYSA-N 438.513 2.611 0 40 IFAB CN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 57350743 STOWUAHQLDEXHG-QGZVFWFLSA-N 429.567 2.948 0 40 IFAB CC[C@H](c1nnc(SCc2nc(-c3ccco3)no2)n1CCN1CCOCC1)N(C)C 58157165 NTSOKJOHJDDPOU-OAHLLOKOSA-N 447.565 2.558 0 40 IFAB O=C(Nc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1Br 71807267 OVZXRXSEZBVVBG-GFCCVEGCSA-N 437.315 2.618 0 40 IFAB CN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 72241262 AFZNOOBAAIHZAW-YADHBBJMSA-N 427.932 2.583 0 40 IFAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1)c1cccc(F)c1 72321235 RKSFBSOTUAFGEV-FYYLOGMGSA-N 435.455 2.934 0 40 IFAB biogenic,in-vitro O=C(Cc1ccccc1)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 72356034 XTYBQTXUZXMKFB-UHFFFAOYSA-N 430.508 2.517 0 40 IFAB COc1ccc(OCCS(=O)(=O)Nc2cccc(NC(=O)CCn3ccnc3)c2)cc1 79001514 IOHFOFOAEHWHTM-UHFFFAOYSA-N 444.513 2.741 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc(Cn2ccccc2=O)cc1 84606405 ANRGFXANZGLLIE-WFXMLNOXSA-N 426.542 2.561 0 40 IFAB Cc1sc2[nH]c(CCC(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)nc(=O)c2c1C 89565236 PCAPGJSWBKRXGG-CYBMUJFWSA-N 445.570 2.868 0 40 IFAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)C1=O 96262795 NWAJOMFSJGLGDJ-RUZDIDTESA-N 427.589 2.726 0 40 IFAB COC(=O)c1cn(-c2ccc3c(c2)OCCO3)cc2c(=O)n(-c3ccc(OC)cc3)nc1-2 100253223 WDLHNAJMZZHRLV-UHFFFAOYSA-N 433.420 2.694 0 40 IFAB CC(C)/N=c1\ccccn1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 102796012 DSRBZHOYEXCSAF-KNTRCKAVSA-N 426.336 2.521 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 107798426 CNQZYONCEPEHGW-NSHDSACASA-N 443.319 2.772 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1OC 220238678 DMLDQFYLAFBQJC-OAHLLOKOSA-N 438.521 2.746 0 40 IFAB CN(c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1)S(C)(=O)=O 222412086 XSDQDFBHMIELEL-UHFFFAOYSA-N 427.482 2.858 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1Cl 223685549 WPVNSRZRCJNBQK-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB Cc1ccc(CN(CC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 224160168 CCRDIFIQCSCHQZ-UHFFFAOYSA-N 434.543 2.527 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)ccc1OC 224673966 KSVVENAMDJEIEV-UHFFFAOYSA-N 431.558 2.519 0 40 IFAB COc1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 224812460 ILXKALMPASSGOH-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)s1 225606264 DITPEDKRJJGTED-UHFFFAOYSA-N 426.589 2.749 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)c3cccc4cccnc34)C2)nc2c1CCN(C(C)=O)C2 257242050 IAWANLDBBUTPJX-KRWDZBQOSA-N 430.512 2.601 0 40 IFAB Cc1ccccc1CC(=O)N1CCO[C@@H](Cn2nnc3c(Nc4ccccc4)ncnc32)C1 306131570 KIUGNYBCGOIJLT-HXUWFJFHSA-N 443.511 2.743 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408694191 FEPFXKWWZLSLJQ-UHFFFAOYSA-N 439.484 2.755 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 409142367 CPPNWIYYSRZUNR-UHFFFAOYSA-N 442.368 2.929 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCOC(C)C)C2)cc1Cl 409387760 BIZOQPXSYBRUIA-HNNXBMFYSA-N 432.970 2.681 0 40 IFAB CN(Cc1cccnc1)C[C@@H]1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)CO1 585104919 XFWYNMIKMWUFLC-QFIPXVFZSA-N 429.586 2.915 0 40 IFAB Cc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4cnc5ccccc5n4)C3)C2=O)cc1 618254628 BLHFAMAHBPVTFJ-LJQANCHMSA-N 431.496 2.860 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(Cc3cn(C)cn3)CCO2)C1=O 643559569 YPKLZOXYMACKSY-DEOSSOPVSA-N 426.561 2.645 0 40 IFAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)N1Cc1ccccc1F 1775963801 DIUCHWZWPOQCPU-KRWDZBQOSA-N 448.451 2.690 0 40 IFAB biogenic,in-vitro Cc1ccsc1S(=O)(=O)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2cccnc2)CC1 2055793418 AWNAYLVKHPKXMI-YLJYHZDGSA-N 434.587 2.565 0 40 IFAB Cc1ccnc(N2CCC[C@@]3(CCCN(S(=O)(=O)c4ccc5c(c4)CCO5)C3)C2)n1 2056224509 LCRNHMJOZZZBLC-JOCHJYFZSA-N 428.558 2.791 0 40 IFAB C[C@H]1CCCCN1C(=O)CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12 1325735 MEFITKBJQNLULR-INIZCTEOSA-N 440.573 2.800 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1 3368662 ATFUZZMHYIBQAJ-UHFFFAOYSA-N 443.861 2.731 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 3374842 LAGZYYIXLMIOAP-IBGZPJMESA-N 426.494 2.817 0 40 IFAB Cc1nn2c(=O)cc(COC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)nc2s1 3433549 NVAJZZLOGVZAJF-LJQANCHMSA-N 448.504 2.544 0 40 IFAB COc1ccc2c(CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)coc2c1 3528639 QHCOTSIXWRCRKZ-UHFFFAOYSA-N 442.516 2.761 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCCCC3)cc2c1 6196846 LCJVLPGOFNLIJO-NQIIRXRSSA-N 438.532 2.668 0 40 IFAB Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)CC2)n1 8855714 RTWQSKRQQNRVOK-UHFFFAOYSA-N 446.960 2.759 0 40 IFAB O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)N1CCNC1=O 8860764 MEVYIBXCNHWOSV-UHFFFAOYSA-N 427.555 2.817 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCCCCC3)CC2)cc1 8981321 KDZWMXNGDCRKHQ-SFHVURJKSA-N 436.574 2.730 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)Nc1nc(C)cs1)n2CC(C)C 9507228 UGIDZTYEXCFPFW-UHFFFAOYSA-N 432.550 2.679 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1 9616623 DVAULKXATLXYDD-SFHVURJKSA-N 442.483 2.650 0 40 IFAB CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9662621 RNVYWQSYXPMKRF-SFHVURJKSA-N 442.566 2.672 0 40 IFAB C[C@@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1)c1ccccc1 9690620 JUQCAGUZUFNESL-MRXNPFEDSA-N 448.508 2.954 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 9957442 SPIZKXYMRYYRMP-CQSZACIVSA-N 443.481 2.846 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2cc(OC)ccc2OC)n2nnnc2N3)cc1 10295951 SXHWPGBUVVDPNV-FQEVSTJZSA-N 447.455 2.946 0 40 IFAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 11457158 PGYKMCHIMBGTDL-UHFFFAOYSA-N 435.908 2.882 0 40 IFAB CC[C@@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 11722569 VXCKQVHAJUTZBZ-SJORKVTESA-N 427.588 2.753 0 40 IFAB CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)N1 12892349 ORSQOPFGRYPMEL-ZSEKCTLFSA-N 432.480 2.735 0 40 IFAB biogenic CCCCN(C(=O)CSCc1c(C)noc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 12897792 FUMFXQPRQZGIIO-UHFFFAOYSA-N 437.566 2.590 0 40 IFAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2)NC1CC1 12996323 MZZGROWAPQRWIG-UHFFFAOYSA-N 436.917 2.581 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccc(Br)o2)o1 13013174 VNPKOTMPSQAWSF-SFHVURJKSA-N 445.229 2.822 0 40 IFAB COc1ccc([C@H]2C/C(=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)NN2C(C)=O)cc1 13549193 IESFCGHTGXBANL-LYHOESIGSA-N 426.473 2.999 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc2c(c1)OCO2 16023265 DQDXLWQPWRWXDZ-UHFFFAOYSA-N 430.526 2.839 0 40 IFAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)c1 16321552 ULXOKPDSEYXVKK-UHFFFAOYSA-N 431.514 2.883 0 40 IFAB C[C@@H](C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12)N1C(=O)c2ccccc2C1=O 18948186 AEKJAQSJZMIMMA-AWEZNQCLSA-N 447.447 2.528 0 40 IFAB Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19234505 FFUCCAFLGOLPSU-QHCPKHFHSA-N 444.597 2.724 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19920638 NVYLJMJIVWXQST-QGZVFWFLSA-N 441.915 2.766 0 40 IFAB CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O 20030527 SLIFLUJFEAZJPS-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCN(C)CC1 20676065 HTCWSXRPGXUFAC-IBGZPJMESA-N 425.558 2.615 0 40 IFAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N1CCN(c2ccccc2)CC1 22798834 OCOTZGPKSRINJO-UHFFFAOYSA-N 435.597 2.763 0 40 IFAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2n1 23107325 GGGTXRGOFAMMGE-JOCHJYFZSA-N 436.487 2.811 0 40 IFAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 25460208 JLZBSOJZQWDVQD-OAQYLSRUSA-N 447.988 2.838 0 40 IFAB COc1cc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)ccc1OCc1ccccc1 25770560 UHROEDOYZIRWGR-LJQANCHMSA-N 432.542 2.705 0 40 IFAB CS(=O)(=O)c1ccc(F)c(NCC(=O)Nc2cccc(I)c2)c1 26789347 VQTBNPQKLDAYQU-UHFFFAOYSA-N 448.257 2.884 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3nccn3C(F)F)C2)s1 29183424 JMIRQKRKSHGRNM-CYBMUJFWSA-N 432.518 2.707 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1S(=O)(=O)N(C)C 32895371 AJNYRHIJCJQOKH-UHFFFAOYSA-N 438.449 2.945 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1C(=O)NCC(C)C)O2 38855183 RUUQYRDCUKBVJT-FQEVSTJZSA-N 445.541 2.547 0 40 IFAB O=C(Nc1nncs1)[C@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 40151012 LQWFQXBQHOBBRM-NSHDSACASA-N 425.308 2.557 0 40 IFAB COc1ccc(CNC(=O)Cn2nc3c(Oc4cccc(C)c4C)nccn3c2=O)cc1 49008541 BZKUCTXOGAQXJF-UHFFFAOYSA-N 433.468 2.625 0 40 IFAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)cc1 57428156 YFFNTVOZSRTJNP-UHFFFAOYSA-N 449.532 2.988 0 40 IFAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)NCCCc1ccccc1 57507040 KHDSPZRPYHNRJR-UHFFFAOYSA-N 429.571 2.764 0 40 IFAB Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C(=O)NCc1ccc(F)c(Cl)c1 67336472 RKKRLRCSQHPWEB-UHFFFAOYSA-N 441.898 2.503 0 40 IFAB O=C(COc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1 67896784 WDUUFFSULXGGTB-RCZVLFRGSA-N 447.491 2.560 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccc(SC)cc3)C3=C2COC3=O)cc1 71326822 MZTAGCOFNFLMNP-FQEVSTJZSA-N 439.493 2.933 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3-c3cc(C)no3)C2)cc1 72334766 FIGPFDUNHIFGRE-OAHLLOKOSA-N 429.502 2.900 0 40 IFAB Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1cnc[nH]1 95473830 MIIUVSOSCYSKRE-UHFFFAOYSA-N 427.306 2.886 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 95478674 DSMJIYBWDFAPBV-MRXNPFEDSA-N 434.928 2.580 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCNc2ccnc3cc(Cl)ccc23)C1 222619111 ROBZABMRXRNJPE-OAHLLOKOSA-N 438.981 2.868 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl 224143018 QSNRDRZWJFTHTA-UHFFFAOYSA-N 432.876 2.888 0 40 IFAB CCN(CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(C)cc1 225091901 IWZCSXQWHBYHNB-UHFFFAOYSA-N 429.542 2.843 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2nc(-c3ccccc3Cl)no2)S(C)(=O)=O)cc1 225631794 BKYCGKYCCCKLRP-UHFFFAOYSA-N 448.932 2.776 0 40 IFAB O=C1CCCN1CCCC(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257229061 FWNWTPXUWHJYTA-LJQANCHMSA-N 427.480 2.662 0 40 IFAB COc1ccccc1[C@@H]1CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@]12CCCCC(=O)N2 257235493 GYCGETJEYHFAKB-RXFWQSSRSA-N 448.567 2.914 0 40 IFAB Cc1cc(C(=O)N2CC[C@@](O)(CN(C)Cc3ccc(F)cc3)C2)nc(N2CCCCC2)n1 257326395 WXBMLAZOWYIILB-XMMPIXPASA-N 441.551 2.623 0 40 IFAB CCN(CC)C(=O)c1c[nH]nc1[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 257344512 ZXQXGLLRDHQUJG-LJQANCHMSA-N 447.561 2.766 0 40 IFAB CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1OC 408591275 JJWQWEFKMBBTSF-DAVUEJTQSA-N 427.251 2.612 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408668742 VJPQPUANZUZWIH-WYZBVHOTSA-N 426.513 2.841 0 40 IFAB CC1(C)CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)[C@H]1c1ccncc1 1526775033 BFQFANUWOZJFMC-OFNKIYASSA-N 436.556 2.764 0 40 IFAB COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc(OC)c1OC 646456 VOZRLNPYBXJLPL-IBGZPJMESA-N 436.472 2.935 0 40 IFAB COc1cc(OC)cc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)c1 929514 INNXIYXRGWOGHK-UHFFFAOYSA-N 429.454 2.891 0 40 IFAB Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(-c4ccc5ccccc5c4)cn23)n(C)c1=O 2411261 ABVQPXMVJPHEJM-GOSISDBHSA-N 429.480 2.686 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)NC(C)(C)C 3319350 FORVQKMQZJBIOF-UHFFFAOYSA-N 446.525 2.518 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3428254 YCCYILKGZCAPLZ-OAQYLSRUSA-N 429.542 2.705 0 40 IFAB CCCCN(C(=O)CCOc1cc(C)ccc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 8232265 QWWLUNZSPNLAPV-UHFFFAOYSA-N 430.549 2.994 0 40 IFAB NC(=O)NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl 9120713 XIXRPIWSBPZJIA-UHFFFAOYSA-N 441.904 2.606 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1c(=O)oc2ccccc21 9349242 VTOCNMXAUOXGJK-UHFFFAOYSA-N 441.484 2.867 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)c1 9450628 ZQPLCTLVGKDNSE-UHFFFAOYSA-N 437.901 2.793 0 40 IFAB CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 9593954 YUUTZSKWCNGSDC-OAHLLOKOSA-N 434.514 2.956 0 40 IFAB O=C(CSc1nnc(NC(=O)c2ccc(Br)o2)s1)NC[C@H]1CCCO1 9599965 FRIHHCXVZMWIDZ-MRVPVSSYSA-N 447.336 2.533 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccccc1OC 9761792 UAEZKULUHKQUGA-UHFFFAOYSA-N 437.452 2.744 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCCCN(C)C)S(=O)(=O)c1ccc(C)cc1 10111378 ZUMZFDKNZCGKLW-UHFFFAOYSA-N 433.574 2.575 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1C 10220590 OLQATJYUMLYXIA-UHFFFAOYSA-N 442.497 2.627 0 40 IFAB COc1cc(NC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)c(OC)cc1Cl 10684682 LTXYFIUSIMIGGJ-UHFFFAOYSA-N 447.879 2.526 0 40 IFAB O=C(c1cncc(Br)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11003704 FHHJOVXYNFXZHE-UHFFFAOYSA-N 442.310 2.520 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnc(N3CCCC3)n2C2CC2)cc1OC 11375644 LHTZUKOSSXXLLW-UHFFFAOYSA-N 431.562 2.681 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 12229880 VVLLETYZUUBNPN-KRWDZBQOSA-N 439.493 2.933 0 40 IFAB CCc1nc2sc([C@H](c3ccco3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1 12341910 VPSVVTYOTIDBHW-INIZCTEOSA-N 427.486 2.792 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCSc3ccc(Br)cc3)ccc21 12807601 FJDHDERXGZESPK-UHFFFAOYSA-N 448.342 2.994 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12895566 SWFNMAGFJAJSFO-AYHJJNSGSA-N 440.656 2.965 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CN(C)C)c3ccccc3)CC2)cc1 12920812 WLPQWJYMGSDWJO-QFIPXVFZSA-N 429.586 2.815 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)C1 12999213 MBXDQUFQHXPZMD-IYBDPMFKSA-N 440.529 2.581 0 40 IFAB COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1S(=O)(=O)N1CCOCC1 13026739 WNEAAHDTNFPXNG-UHFFFAOYSA-N 447.538 2.887 0 40 IFAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 13360065 DOPQXTIFUNYZJO-UHFFFAOYSA-N 447.694 2.718 0 40 IFAB CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCC3)cc2OCc2ccccc2F)C1=O 13722293 ODVQGNCFAZJDBU-UHFFFAOYSA-N 447.488 2.588 0 40 IFAB C[C@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14236959 XMCCSAVAELEPCK-LBPRGKRZSA-N 431.495 2.642 0 40 IFAB O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)N[C@H]1CCS(=O)(=O)C1 16097355 SYSOZTPECKENEZ-HNNXBMFYSA-N 428.539 2.769 0 40 IFAB Cc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)nc3)C[C@]23CCCCC(=O)N3)n1 19236386 IGSRXEZLHYVEOT-SQJMNOBHSA-N 435.572 2.650 0 40 IFAB Cn1ccnc1C(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccncc1 19291176 DOZVUUPSSKBOHQ-ACRUOGEOSA-N 433.487 2.725 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@H]2CCCO2)C1 19448779 JAEOATFFBBKYPG-RCZVLFRGSA-N 436.556 2.999 0 40 IFAB COCc1ccc(C(=O)N2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)cc1 19693378 GQQUMYFXGGKSFQ-HXUWFJFHSA-N 432.480 2.603 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738824 GTGMHZIBIQNZDQ-IBGZPJMESA-N 444.539 2.670 0 40 IFAB CC[C@@H](C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCOCC1 19746161 LPLNOMWZNFUBMO-KRWDZBQOSA-N 439.438 2.590 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1 19749355 UPVCRRVYMMTKNF-UHFFFAOYSA-N 434.481 2.596 0 40 IFAB COc1cc(OC)c2cc(C(=O)N3CCCC[C@@H]3c3ncc(C(N)=O)c(C)n3)n(C)c2c1 19764567 BSHWTHHCDRCFML-QGZVFWFLSA-N 437.500 2.760 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 19934487 RNXJKCLERMZCJN-UHFFFAOYSA-N 439.921 2.730 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(Cc3ccccc3)c1=O)NCC2 20326859 NXPCOYOAWLTYSO-IBGZPJMESA-N 425.510 2.912 0 40 IFAB Cc1nnc2ccc(N3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)nn12 20732385 OMJDGALTSUQHOP-UHFFFAOYSA-N 439.951 2.651 0 40 IFAB COc1cc(C(=O)N[C@H](C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc(OC)c1OC 20888998 NDPZIYYMJAMFAY-FQEVSTJZSA-N 444.484 2.512 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 21686714 HQMVMLMQWJHVDU-AWEZNQCLSA-N 439.921 2.591 0 40 IFAB COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 22925592 SLOBZAPJIMIKRU-IBGZPJMESA-N 426.561 2.785 0 40 IFAB COc1cccc([C@@H](CNS(=O)(=O)c2cc(C)c(C)cc2OC)N2CCOCC2)c1 23108066 CGKZKXUJOKZPMG-HXUWFJFHSA-N 434.558 2.672 0 40 IFAB COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 23701310 UDMICNYHFWZHQZ-QKFKETGDSA-N 446.500 2.567 0 40 IFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(F)cc1Br 24841921 ODRLRLDOPHTPNM-JTQLQIEISA-N 443.294 2.592 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 29986744 HVADPNDIHLYRQQ-SFHVURJKSA-N 430.505 2.604 0 40 IFAB CC(C)c1nc2ccccc2c2nn(CC(=O)Nc3ccccc3-n3ccnc3)c(=O)n12 72347038 GWRVYTBNJJTOSL-UHFFFAOYSA-N 427.468 2.992 0 40 IFAB O=C(CN(C1CC1)S(=O)(=O)[C@@H]1CCN(Cc2ccccc2)C1)Nc1cccc(F)c1 95431835 CWSMNEYLLHLNEW-OAQYLSRUSA-N 431.533 2.833 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100138196 CHVKMGCJFNTZNM-CABCVRRESA-N 446.511 2.744 0 40 IFAB CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)CN3CCCC3=O)CC2)nc2ccccc12 100658057 CPNDMVNNCKEZCN-HDICACEKSA-N 436.556 2.949 0 40 IFAB CCCOc1cc2c(cc1CN1[C@H]3CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C3)OCO2 100737918 QPASWKJVVANDGK-OALUTQOASA-N 441.528 2.627 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@@H]3C2=O)cc1Cl 101168891 FELOWRWIMVWPIA-OALUTQOASA-N 441.875 2.897 0 40 IFAB CSc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C(=O)N1CCCC1 225263427 WURCBCRNWCBJEU-HNNXBMFYSA-N 448.566 2.763 0 40 IFAB Cc1ccnn1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(N)=O)C1 257226936 FMURCOKUFPXEAD-YJBOKZPZSA-N 449.349 2.516 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cncc(-c4cccc(F)c4)n3)C2)c(C)n1 257318398 VNTVHNYVWFFVQY-LJQANCHMSA-N 431.493 2.570 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408680552 NHSWLZXEIDJJMB-UHFFFAOYSA-N 439.484 2.899 0 40 IFAB CCN(CC)CCCNC(=S)N(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4131165 CTVVNFDZYYFAOO-UHFFFAOYSA-N 432.634 2.936 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(C(=O)OC)ccc21 8598858 CEYDVUZXHUNEGG-DQRAZIAOSA-N 428.466 2.648 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2cccnc21 8604861 DORCOEFMZVZFDS-UHFFFAOYSA-N 430.464 2.644 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2cccs2)C1=O 8942340 YRQLMNONXCGWBO-VGSWGCGISA-N 426.542 2.860 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3C)n2C)s1 9263978 VMPNVFTXAFSNKT-UHFFFAOYSA-N 445.574 2.758 0 40 IFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)s1 9317672 QFGIYRCUSFDZMZ-CQSZACIVSA-N 435.571 2.846 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1C 9438560 IENXUKKITSQZFI-MBOZVWFJSA-N 436.574 2.959 0 40 IFAB Cc1ccc(-c2nc(SCC(=O)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 9517513 UUAURVAYASKKFT-UHFFFAOYSA-N 432.505 2.978 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCc2c(F)cccc2Cl)cc1C 9647814 CKTKQALVPWJWND-KUHUBIRLSA-N 441.908 2.963 0 40 IFAB CN(CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 9691295 AXZDBYBAGOKSGK-FQEVSTJZSA-N 435.977 2.914 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccccc2)cc1 9961329 DIWIPYCLHWEQEO-JKSUJKDBSA-N 434.514 2.711 0 40 IFAB CC1CCN(c2nnc(SCCN3C(=O)c4ccccc4S3(=O)=O)n2C2CC2)CC1 11424332 WREINALWBHLORQ-UHFFFAOYSA-N 447.586 2.786 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccccc3C)CC1)NC2=O 12086530 HLNLPRXJHJYWBX-BVZFJXPGSA-N 434.540 2.872 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)CC2)c1C 12793270 AFMQILXJSBGYRX-CMDGGOBGSA-N 444.601 2.817 0 40 IFAB CC(C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 13002308 LQFCDQZOBNCBNN-AWEZNQCLSA-N 425.776 2.738 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 13098799 LBZQMGCQGBIHNC-LRQRDZAKSA-N 432.567 2.844 0 40 IFAB Cc1ccccc1NC(=O)Cc1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1 13130516 JZZWBXJRDAIQLQ-UHFFFAOYSA-N 426.498 2.866 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N1CCc2ccccc21 13572489 RRIHNRJBZZPTHP-DOTOQJQBSA-N 425.579 2.875 0 40 IFAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 13626209 XVFQESNBXYQSTJ-PBZQEHOFSA-N 428.488 2.934 0 40 IFAB COc1ccccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 14578450 KGXWILHFEMFREC-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB N#CCc1ccc(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 15512982 CQHRDOZSTNYYOA-UHFFFAOYSA-N 439.427 2.906 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)N(C)C)cc1 15534283 MSJBJXJXTFSQON-MRXNPFEDSA-N 426.542 2.754 0 40 IFAB O=C(Nc1nc(CCC(=O)N2CCN(c3ncccn3)CC2)cs1)NC1CCCCC1 16849257 NMAALPOJMIAGSA-UHFFFAOYSA-N 443.577 2.669 0 40 IFAB COc1ccc(NC(=O)C(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1Cl 16955199 BJSKJLQNSCTDLY-HXUWFJFHSA-N 431.920 2.867 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2cccs2)c2ccco2)cc1 17043346 QKCGHAUEQCBFSA-GOSISDBHSA-N 432.523 2.597 0 40 IFAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C 17861361 IXGPFJZWATWWNX-HNNXBMFYSA-N 425.485 2.908 0 40 IFAB O=C(CCn1cccn1)N1CCO[C@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 19293319 OGEALAYQZOKYRC-INIZCTEOSA-N 435.406 2.866 0 40 IFAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19404160 WBGZBSQRLDHVMN-NQIIRXRSSA-N 436.560 2.952 0 40 IFAB CCC(=O)N1CCc2nc(N3CCCC3)nc(CC[C@@H]3CCCN(C(=O)CC)C3)c2C1 19499081 XFEYMBKZZNBGBP-SFHVURJKSA-N 427.593 2.953 0 40 IFAB Cc1ncc(CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)s1 19693035 HCOHWYBJQPUUIC-LJQANCHMSA-N 438.557 2.647 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1 19694811 CTXNTYNPEYKODA-SFHVURJKSA-N 434.544 2.900 0 40 IFAB Cc1nc(CC(=O)N2CCC(CC(=O)N3CCN(c4ccccc4)CC3)CC2)cs1 19748488 MEZURFDXIQSEKI-UHFFFAOYSA-N 426.586 2.972 0 40 IFAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)c(=O)n1 19755331 YPAGWISRLBBVRH-HXUWFJFHSA-N 446.511 2.575 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 19862523 UIOASPAJODQJFQ-KRWDZBQOSA-N 434.489 2.793 0 40 IFAB COc1cc([C@@H]2CC(=O)c3cnc4c(c3C2)c(=O)[nH]c(=O)n4C(C)C)cc(OC)c1OC 19962318 XVHPBSGSKRJYQE-LBPRGKRZSA-N 439.468 2.604 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c1 21280344 KVVYXEPLZABNCL-UHFFFAOYSA-N 429.498 2.994 0 40 IFAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 21554699 JLZBSOJZQWDVQD-NRFANRHFSA-N 447.988 2.838 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22233305 YYAPKPUEWABBLS-HNNXBMFYSA-N 440.949 2.836 0 40 IFAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22784741 UKUDJBGHTLCBRZ-AUSIDOKSSA-N 437.565 2.897 0 40 IFAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O 23674667 BMPBHAKRMSTRSE-WNSKOXEYSA-N 442.516 2.524 0 40 IFAB O=C(NCc1ccc(N2CCCC2)nc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 31315252 ZRLYDSQYALSXRE-SFHVURJKSA-N 446.548 2.538 0 40 IFAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)Nc1cccc2ccccc12 32615761 OHXGNLLPGTWKJG-UHFFFAOYSA-N 437.459 2.745 0 40 IFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccccc3)CC1)C2=O 36705963 ALHVYIFOQVLLGT-UHFFFAOYSA-N 426.561 2.862 0 40 IFAB Cn1c(=O)[nH]c(=O)c2ccc(C(=O)Nc3ccc(F)c(NC(=O)C4CCCCC4)c3)nc21 40110753 LDBDUMICEFEWAD-UHFFFAOYSA-N 439.447 2.532 0 40 IFAB Cc1nc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2c(-c3ccccc3)csc2n1 57380572 VZIAOHUAVFDVIC-QGZVFWFLSA-N 428.583 2.976 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC 67287369 ISIUMSCHHUNPSC-OAQYLSRUSA-N 447.532 2.615 0 40 IFAB Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)Cn4[nH]c(C)c(C)c4=O)CCNC3=O)cc2)c1 72391039 UMURQJHJTYEFRH-HSZRJFAPSA-N 446.551 2.586 0 40 IFAB CCOC(=O)c1cccc(S(=O)(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)c1 78808807 MIKALBMTHVRTQA-SFHVURJKSA-N 431.470 2.631 0 40 IFAB COc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)nc1I 95444727 JQAWFGOOTOGFCJ-RWMBFGLXSA-N 431.318 2.791 0 40 IFAB COC(=O)c1nc(NC(=O)CCn2c(C)cc(O)cc2=O)sc1-c1ccc(F)cc1 95472813 KPIXXYLJIDDDRT-UHFFFAOYSA-N 431.445 2.940 0 40 IFAB Cc1cnc(C(=O)N2Cc3ccccc3C3(CCN(c4ccnc(N(C)C)n4)CC3)C2)cn1 96242643 IVKUIWRDKSSDMN-UHFFFAOYSA-N 443.555 2.835 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1Cl 96367023 YVKVATQYRXPTAW-AWEZNQCLSA-N 429.947 2.976 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccc(C)cc1 96521118 LEXFKUVSACOELM-MNOVXSKESA-N 433.105 2.947 0 40 IFAB C[C@H](NC(=O)[C@@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 100180914 VJXFDZRSUUSAGA-LCZITNEWSA-N 439.556 2.849 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2cccs2)no1)c1ccccc1F 222662294 QNDMSLATCQPVHU-UHFFFAOYSA-N 438.506 2.800 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@H]4CCCO4)o3)cc2)C1 252427591 LZDURJFBXFJCPQ-CKEIUWERSA-N 434.518 2.840 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)CCN2CCCCC2)CC1 257321462 WBUIWZFOPNEVFE-SONWIMMPSA-N 429.605 2.698 0 40 IFAB COc1ccc2c(c1)C=C(C(=O)N1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 257333447 YBOYYRURQYJUMW-QFIPXVFZSA-N 445.479 2.505 0 40 IFAB CN1c2ccccc2N(C2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)S1(=O)=O 390830943 OLTQFWOVSCDCTO-UHFFFAOYSA-N 440.447 2.906 0 40 IFAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 408598194 XUKHMJNWHWNMSK-UHFFFAOYSA-N 438.458 2.860 0 40 IFAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccccc1)C2 1615525627 JGRDQTBPCCPLBC-AREMUKBSSA-N 447.535 2.794 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)Nc3cc4oc(=O)n(C)c4cc3F)CCO2)cc1OC 1662562173 IKAGZAFVNJNAFG-IBGZPJMESA-N 431.420 2.893 0 40 IFAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)N1Cc1ccccc1 1775964133 SYGMBUNBOQCBCR-KRWDZBQOSA-N 430.461 2.551 0 40 IFAB biogenic,in-vitro O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 1361417 PHMGJKKMLFFRLO-UHFFFAOYSA-N 446.536 2.840 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 3328640 RWGXKNDZSFKDEH-CABCVRRESA-N 427.588 2.701 0 40 IFAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O 4766382 OUWRPDXWESMEMH-UHFFFAOYSA-N 438.503 2.982 0 40 IFAB C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)N1CCCC1 9083337 RPVJIYNMACKPHM-OAHLLOKOSA-N 431.514 2.681 0 40 IFAB CCCCn1c(N)c(N(CC)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(=O)[nH]c1=O 9245135 VSVVQADYHMLNOX-UHFFFAOYSA-N 436.516 2.649 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)CC2)cc1 9308319 LRVIFVMVFGRBHO-VOIIDZAXSA-N 434.602 2.986 0 40 IFAB O=C([C@@H]1CN(C(=O)CSc2nc3ccccc3o2)c2ccccc2O1)N1CCOCC1 9755673 YIVQWRGDQFKHAW-IBGZPJMESA-N 439.493 2.573 0 40 IFAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1NS(C)(=O)=O 10112991 XNXMUOCAWBVRMH-INIZCTEOSA-N 431.514 2.528 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 10231936 NWWRMXLTMXEFLQ-MRXNPFEDSA-N 440.803 2.560 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 10447228 NBRKWQYTOZEAHT-UHFFFAOYSA-N 446.525 2.753 0 40 IFAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)N4CCOCC4)CC3)c12 12133601 KPCAVOAOVAJJOL-UHFFFAOYSA-N 441.576 2.865 0 40 IFAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCn3nccc3C)CCOCC2)C1 12156942 FVCXEPYYSLIHEH-GOSISDBHSA-N 426.517 2.696 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)cc1 12788811 XYUVLOFRQKPPJV-WOJBJXKFSA-N 429.586 2.957 0 40 IFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 13163585 KJXIRKBALBNSBW-PSLXWICFSA-N 439.468 2.651 0 40 IFAB CN(C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccccc1 13670482 IWOBKXXDQJTCPJ-UHFFFAOYSA-N 444.294 2.720 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14162021 RBZHCTREQNYTEI-VWLOTQADSA-N 446.507 2.708 0 40 IFAB COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1 14184203 YCTWREWDEAVWCM-UHFFFAOYSA-N 425.348 2.964 0 40 IFAB COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N2CCOCC2)=N1 15319980 HAYFWGXRARXSOK-OAHLLOKOSA-N 434.827 2.742 0 40 IFAB O=C(COc1cccc(F)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15506423 DKWYOCPHNKUWLW-UHFFFAOYSA-N 428.869 2.518 0 40 IFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCN(C)Cc4ccccn4)C3)c2N)cc1 19213188 FLMJSSCGSJWKHC-LJQANCHMSA-N 446.555 2.711 0 40 IFAB O=C(CSc1ccc(F)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 19247328 GGPVAIGKZJKBQF-UHFFFAOYSA-N 426.510 2.731 0 40 IFAB CCN(CC)c1ncc2c(O)nc(C3CCN(CC(=O)N4CCCCC4)CC3)cc2n1 19526550 MXYCPUJPORLKBO-UHFFFAOYSA-N 426.565 2.769 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(CN(C)C)cnc3cc(C)nn23)cc1 19743516 IUFISKUDECHTNW-IBGZPJMESA-N 429.546 2.634 0 40 IFAB COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4nccn4C)CC3)nc2C)cc1 19763839 SEHLDBBOIPAGLU-UHFFFAOYSA-N 434.500 2.799 0 40 IFAB CC(=O)N1CCC(C(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)CC1 19766056 IWQNXKSCEYQVEK-LJQANCHMSA-N 435.528 2.612 0 40 IFAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2 22063324 KOEZVGVALFAIMS-FZSIALSZSA-N 447.528 2.827 0 40 IFAB in-vitro CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2 23001960 BYVPYJYHCMIHMK-LIRRHRJNSA-N 445.507 2.948 0 40 IFAB CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCCc2ccccc21 24071577 PHLKAIQDAYKRCZ-NRFANRHFSA-N 445.560 2.668 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)ccc1OC 32745320 UGGXKCUCKLOJJV-GFCCVEGCSA-N 447.469 2.580 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)c1 32859727 JCQUESSVHVCGLE-UHFFFAOYSA-N 437.521 2.893 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccccc1SC(F)F 32882816 CTIBIGZQGAJTGI-UHFFFAOYSA-N 425.438 2.992 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NCC1CCCCC1 34857697 OPIWNBIBISNEJM-UHFFFAOYSA-N 433.618 2.568 0 40 IFAB COc1ccc([C@@H]2SCC(=O)N2[C@@H]2C(=O)N(c3ccccc3)N(C)[C@H]2C)c(OC)c1 36108836 VZOZFTFPRORIHG-FSJXIACGSA-N 427.526 2.929 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C(=O)c2ccccc2)CC1 36321844 PRVPDEGNCJVTAW-UHFFFAOYSA-N 434.496 2.659 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)N(CC(C)C)C(C)C)CC2)cc1 40158446 HWVAMXAQHHUKMZ-UHFFFAOYSA-N 438.594 2.874 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)[nH]c(=O)c21 40388705 BSYQFDZSVVEYNE-ZNMIVQPWSA-N 439.516 2.634 0 40 IFAB CCSc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)n1 40398467 DBJCZZZFAZDASC-UHFFFAOYSA-N 434.485 2.643 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 44038248 CNAQJDBFMZZYFK-UHFFFAOYSA-N 436.433 2.557 0 40 IFAB CCCCN(C(=O)CN1CCC[C@@H]2CCC[C@@H](C)[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O 48361662 WFTCTBMYTZPMNR-AOIWGVFYSA-N 433.597 2.563 0 40 IFAB CCn1nnnc1SCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57315402 OSZAALDHZYTANF-UHFFFAOYSA-N 437.573 2.746 0 40 IFAB COc1ccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 65086661 SZZAZCIMYIPOJW-UHFFFAOYSA-N 440.949 2.727 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(NC(C)=O)cc4)ncn3n2)cc1 67208937 ULKJWNPWYOPUKK-UHFFFAOYSA-N 430.468 2.718 0 40 IFAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 70762572 GRLMOZXOLMYEKM-LJQANCHMSA-N 442.459 2.651 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 77196512 MVARKBLBWNOBEN-UHFFFAOYSA-N 443.554 2.646 0 40 IFAB COc1cc(OC)c(NC(=O)c2cn(C[C@H](O)c3ccccc3OC)nn2)cc1Cl 77197253 XOECCOUAUUNNGW-INIZCTEOSA-N 432.864 2.943 0 40 IFAB Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1 84331592 IBPYUSMTJVRHOF-LEWJYISDSA-N 434.496 2.627 0 40 IFAB Cc1nc(CSc2ccccc2C(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)cs1 89712531 RLWGYVJUCQTJTE-HNNXBMFYSA-N 429.571 2.551 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139106 WRIFRSPQDJHICX-LIRRHRJNSA-N 446.511 2.711 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](C(=O)c2ccc(Cl)cc2)n2ccccc2=O)CC1 199415585 VTUDDJRVLTZXAF-IBGZPJMESA-N 430.888 2.727 0 40 IFAB COC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 223214405 IVLGWROBMREQKN-UHFFFAOYSA-N 446.525 2.838 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C(=O)N1CCOCC1 223893376 NLFJDCGIKWOOEH-UHFFFAOYSA-N 438.546 2.841 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1Cl 224346065 LKXLOYQRTLFMLJ-UHFFFAOYSA-N 425.942 2.996 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)cc1 224766654 MWYOPFMMBNYRJX-SFHVURJKSA-N 445.585 2.762 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(OC)c(OC)c1 225160837 FRKODBHJMXXYPB-SFHVURJKSA-N 436.530 2.573 0 40 IFAB Cc1ncccc1O[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2OCC(N)=O)CC[C@@H]1O 257253906 KATIODPKHFHYIC-UNMCSNQZSA-N 441.572 2.956 0 40 IFAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 408592189 KMAGIESOYGIPMJ-UHFFFAOYSA-N 442.541 2.886 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 408650543 BMLMUHRGTZJMMJ-INIZCTEOSA-N 443.887 2.578 0 40 IFAB O=C(COc1ccc2ccccc2c1Br)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1637479745 HUAXZFVUYYCKBG-GJZGRUSLSA-N 438.343 2.874 0 40 IFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 3411473 UYYZLOCAFPDIET-ZDUSSCGKSA-N 425.432 2.867 0 40 IFAB CN(CC(=O)NC[C@@H](c1ccco1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 3439253 IQBXTPDWUBAFOA-KRWDZBQOSA-N 425.938 2.507 0 40 IFAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 3480477 RYHOXTPGWOQABM-UHFFFAOYSA-N 430.526 2.565 0 40 IFAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)cc1OC 3644628 XZQWRUGOVITTQV-GOSISDBHSA-N 432.542 2.734 0 40 IFAB CCOc1ccc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1OCC 5342352 OLOQRFUCCWGTCH-GOSISDBHSA-N 425.485 2.976 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 6531074 JBFWJJPWKGSFID-GJZGRUSLSA-N 429.952 2.613 0 40 IFAB CC(C)[C@H]1C(O)=Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O 8770644 NXPBFYJZXGLYMJ-XLIONFOSSA-N 438.484 2.641 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 8822886 ZPVDSCHBHCNSKK-UHFFFAOYSA-N 448.448 2.581 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 8966087 YQCDHCCZEURKEF-INIZCTEOSA-N 434.496 2.981 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9255887 IZRVOGUCJWOHCI-UQBPGWFLSA-N 449.507 2.809 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9509500 TXVAOAYRVPZBLL-VQIMIIECSA-N 436.574 2.944 0 40 IFAB CCOc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9588242 SRHMPXOOYUUPCT-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)OC(C)C)cc3)C2=O)c1 9592004 QWCQMVYRSFYKEI-HSZRJFAPSA-N 439.468 2.666 0 40 IFAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3OC(F)F)nc2n1 9635096 FLQNINNBPGHHDW-UHFFFAOYSA-N 442.325 2.984 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2F)c1 9983879 QYOCPSHCKDARSV-UHFFFAOYSA-N 435.521 2.945 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10357626 MJADKIPHASQOHS-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2cn(CC)c3cc4c(cc3c2=O)OCO4)n1 12323140 PGDZKRHKKFHVIU-UHFFFAOYSA-N 429.454 2.565 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1 12567733 WBJFOVFXDXKZHF-UHFFFAOYSA-N 428.554 2.786 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 12697052 XGWSRXPZFXSMIW-UHFFFAOYSA-N 444.553 2.995 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(CCO)cc3)cs2)cc1 13727648 XPOAPDYTABQUMT-UHFFFAOYSA-N 447.538 2.669 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc3ccccc3c2)NC(=O)N1CCCC(=O)O 14196579 MHFURERLGDEAIW-JOCHJYFZSA-N 437.496 2.904 0 40 IFAB COc1ccc(CCNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 15391173 YOKPUXBVOJBLON-IBGZPJMESA-N 446.569 2.996 0 40 IFAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21 15867593 HCBYUBUSNKRWTE-UHFFFAOYSA-N 440.569 2.982 0 40 IFAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)cc1 19209746 GNTVCKHFJVLWGE-NRFANRHFSA-N 434.540 2.669 0 40 IFAB O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19348123 KXBQCMVTLAAZKK-JOCHJYFZSA-N 447.514 2.769 0 40 IFAB COc1ccc(CN2C[C@@H](c3c(F)cccc3F)[C@@]3(COCCC(=O)N3)C2)cc1OC 19561213 STZSGGAFLPZTHG-HJPURHCSSA-N 432.467 2.857 0 40 IFAB COc1nc(C)c(CC(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)c(OC)n1 19579439 QFTVOSVCKINWDM-LJQANCHMSA-N 426.448 2.632 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)CCc1ccccc1OC)C2 19707400 YZSVQEIVHWNLFP-FQEVSTJZSA-N 437.544 2.728 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)C3)C1 19743846 FXQPEZJXMZJJRC-IBGZPJMESA-N 444.539 2.968 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744393 HKYBPYXVOSHUJR-KRWDZBQOSA-N 446.486 2.823 0 40 IFAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccco3)[C@H](O)[C@H]2[C@@H]1C 20467090 BJGQPUPLKOIZNJ-SICCFQPGSA-N 434.577 2.877 0 40 IFAB biogenic,in-vitro Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(=O)n(CCN4CCOCC4)nnc3c12 20650159 FGONMBJBDGPFKP-UHFFFAOYSA-N 442.932 2.757 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccc(F)c(F)c2)c2sc3nc(C)nn3c2O)CC1 22627012 ANRKDTDVOUBZPI-OAHLLOKOSA-N 437.472 2.947 0 40 IFAB CCN1CCN([C@@H](c2ccc(OC)c(OC)c2)c2nnnn2Cc2ccc(F)cc2)CC1 22929379 CWOMUBNSMLHTJY-QFIPXVFZSA-N 440.523 2.605 0 40 IFAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 22932399 JXZFBLFERGXZLO-NRFANRHFSA-N 447.988 2.818 0 40 IFAB CCc1c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cnn1-c1ccc(F)cc1 24679225 YIDBIZVOPAMUMI-UHFFFAOYSA-N 436.534 2.816 0 40 IFAB COC(=O)c1ccc2c(=O)n(C[C@H](c3ccc(OC)cc3)N3CCCCC3)c(=O)[nH]c2c1 24939744 IVDJRYFRYKOPCI-OAQYLSRUSA-N 437.496 2.712 0 40 IFAB O=C(CN1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)CC1)NCc1ccccc1 27129426 PWIUNDGIOFCIFE-VOTSOKGWSA-N 441.915 2.543 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccc(Cl)cc3)[nH]c(=O)n2)cc1 27643402 GBQXJRBIJWNDMA-UHFFFAOYSA-N 444.900 2.927 0 40 IFAB COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 28524335 FHTGZEVOZWRYEL-XOKLNVNFSA-N 433.457 2.532 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)ccc1Cl 30938951 PFWIDVLHAUBBQA-QGZVFWFLSA-N 438.889 2.601 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 31602490 PZGPLBBDVXGNLO-SFHVURJKSA-N 432.542 2.763 0 40 IFAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC2(C(N)=O)CCOCC2)cc1 32911544 RZOYPNIPUUZHIZ-UHFFFAOYSA-N 434.496 2.560 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)NC(=O)CCS2 32983152 FGTZCAWKSZJVBE-UHFFFAOYSA-N 438.509 2.646 0 40 IFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 44840542 OSJNBORMKQPJJD-QGZVFWFLSA-N 438.503 2.622 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 44841219 BXFRJJFHNFUSLF-UHFFFAOYSA-N 435.402 2.857 0 40 IFAB COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3[nH]ncc3c2=O)cc1Cl 51316646 KOSQNXHZEUQTNZ-UHFFFAOYSA-N 448.917 2.958 0 40 IFAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)c1 57428044 XSCGJLWZHFQYAA-UHFFFAOYSA-N 449.532 2.988 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1 57428929 DDRPWNLADGYNPW-UHFFFAOYSA-N 434.477 2.811 0 40 IFAB COc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)c3ncccc23)cc1 58155925 PTBQEADJHLVEHW-QGZVFWFLSA-N 446.550 2.934 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 67287274 DZRATKYHBLYJOL-JOCHJYFZSA-N 444.551 2.947 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2C)cc1OC 67322947 CIQBIDDFAVMAKL-UHFFFAOYSA-N 431.399 2.773 0 40 IFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1 70921340 LPSAXYAOBXNRJB-UHFFFAOYSA-N 444.557 2.507 0 40 IFAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(OC)cc3OC)c2)n1 71768559 CWYCYUVOYOFHNN-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@@H]2CCCO2)CCO1 72389186 UERCIKNBCTVYGK-WIOPSUGQSA-N 437.540 2.592 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)c1 96024235 RRCGCSJFMYLYBN-UHFFFAOYSA-N 440.569 2.588 0 40 IFAB CS(=O)(=O)[C@@](Br)(I)[C@H](O)c1cccc(Cl)c1 96520950 SKKXVTONIKCXNV-BDAKNGLRSA-N 439.496 2.902 0 40 IFAB COCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 113938101 BIHQZOFPHUIEFR-UHFFFAOYSA-N 426.922 2.697 0 40 IFAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224321956 QMGSDQGCMBSVCL-SFHVURJKSA-N 446.569 2.996 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 225128692 HWNVROYVPSLBNN-UHFFFAOYSA-N 426.542 2.567 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257246055 ISGGRBNMEHEONG-LJQANCHMSA-N 432.524 2.798 0 40 IFAB COc1ccc(Nc2ncccc2C(=O)N2CCC[C@@](C(N)=O)(c3ccccn3)C2)cc1 257273777 NIDHOXGMCTZNGT-DEOSSOPVSA-N 431.496 2.888 0 40 IFAB CCCN1CCN(C(=O)CNC(C)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257336916 YQOCOZYWMRMYHB-NRFANRHFSA-N 439.531 2.868 0 40 IFAB CCc1ccc(NC(=O)CN2[C@H](C(=O)N(C)C)C[C@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 257338579 YYBDFERGSCXMIH-FIXSFTCYSA-N 436.556 2.596 0 40 IFAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)c1 408603544 KSDVICLFRYTJQS-UHFFFAOYSA-N 427.482 2.586 0 40 IFAB Cc1cc(C)n(-c2ccc(-c3nc(-c4cccc([C@@]5(C)NC(=O)NC5=O)c4)no3)cn2)n1 546500277 BWQDIBNKJABKHW-JOCHJYFZSA-N 429.440 2.656 0 40 IFAB CN1c2ccccc2N(C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)S1(=O)=O 575414185 KMHHEEMDLDJWEA-DTQAZKPQSA-N 433.555 2.653 0 40 IFAB O=C(c1cccc2ccccc12)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549162941 YLMUCMAKHFGGHA-OAQYLSRUSA-N 433.508 2.888 0 40 IFAB CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 1611219920 FYTZIRRXWRTRAQ-QGZVFWFLSA-N 427.892 2.999 0 40 IFAB CC(C)n1cnc(S(=O)(=O)N(C)C2CN(c3ncnc(-c4ccccc4)c3F)C2)c1 1775973303 MCNTUELAMDXNNT-UHFFFAOYSA-N 430.509 2.569 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1C 2644847 FYZKLMVZTAXUEQ-HSZRJFAPSA-N 425.485 2.934 0 40 IFAB COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl 3014170 QEQLEBYWWQDXHH-LLVKDONJSA-N 427.741 2.727 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ncc(C(F)(F)F)cc1Cl 3255709 XBETZKLXCKQZCW-UHFFFAOYSA-N 433.745 2.805 0 40 IFAB CCc1c(C)sc2nc(SCn3nnc4ccccc4c3=O)n(CCOC)c(=O)c12 3443723 AMBUGCQVOAOJPC-UHFFFAOYSA-N 443.554 2.830 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)sc(C)c1C 6552142 UFKNSOXIABQRFO-UHFFFAOYSA-N 447.498 2.587 0 40 IFAB aggregator COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)cc1 8590109 AMZYQLHSUBPOAY-QGZVFWFLSA-N 427.478 2.631 0 40 IFAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cnc3ccccc3n2)c(=O)[nH]c1=O 9253818 FPQSXIDEGWBUFY-UHFFFAOYSA-N 444.495 2.709 0 40 IFAB CC(C)[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)N1CCC(C(=O)O)CC1 9488227 XJLKETLQCXMHRT-NRFANRHFSA-N 434.492 2.976 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccccc1Br 9512449 YBHKZHLXLYLOKY-AWEZNQCLSA-N 440.363 2.894 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 9708136 SBOJBRCXBZPAKR-IBGZPJMESA-N 433.464 2.910 0 40 IFAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1 9708761 YWGVYIWQKLBMCV-UHFFFAOYSA-N 434.591 2.899 0 40 IFAB CCN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCS(=O)(=O)C1 9882800 ARGFMZNWWRQJDV-ZETCQYMHSA-N 431.171 2.922 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 10220899 ADIRUBFTGICYLB-UHFFFAOYSA-N 440.456 2.742 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)c(OC)c1 12231260 RIKMIFSUWPKVSH-UHFFFAOYSA-N 438.480 2.884 0 40 IFAB CCOC(=O)c1ccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)cc1 12488040 SWSDAHXEEIYKGB-UHFFFAOYSA-N 445.541 2.603 0 40 IFAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12785978 NSVSPSJMHOCJQJ-UHFFFAOYSA-N 425.510 2.807 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1 13120035 VDMAYIDYMXYLCT-UHFFFAOYSA-N 444.451 2.941 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nn1-c1ccccc1F 15586289 BCXBFZMPWNSSLL-UHFFFAOYSA-N 435.864 2.989 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 15919121 LRXNZGPUAMWTJG-UHFFFAOYSA-N 434.489 2.960 0 40 IFAB Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1F 16253014 XGHXTWSHPQUOKJ-UHFFFAOYSA-N 429.433 2.790 0 40 IFAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)CCCN3CCCC3=O)C[C@H]21 19520097 VRTKXEHSIZMBGP-PZJWPPBQSA-N 441.572 2.941 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19528370 DQZBSAWCXSVUGK-QFQXNSOFSA-N 448.567 2.514 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694133 BSIFAOWQUIXHQB-INIZCTEOSA-N 444.536 2.651 0 40 IFAB Cc1ccn2cc(C(=O)N3CCO[C@@]4(CC=CCN(CCc5ccccc5)C4=O)C3)nc2c1 19704463 UWXQZLZSPZNUNS-SANMLTNESA-N 444.535 2.885 0 40 IFAB NC(=O)c1cc([C@@H]2CN(C(=O)c3ccnc(N4CCCCC4)c3)CCO2)nc2ccccc12 19762138 YRCULURCDYZDBR-QFIPXVFZSA-N 445.523 2.933 0 40 IFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 20034978 WUJGMCVCGYCATE-IAGOWNOFSA-N 427.636 2.633 0 40 IFAB O=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@@H](COc1ccc(Cl)cc1)O2 20494795 HSRQKNLJNNFPDB-GCJKJVERSA-N 430.888 2.624 0 40 IFAB CC(=O)Nc1ccc(SCCCC(=O)N2CCN(CCc3ccccc3)CC2)nn1 21148933 HWYNRIOTEHRJQH-UHFFFAOYSA-N 427.574 2.694 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 22413399 OAEYZSUGRUWMJR-IBGZPJMESA-N 438.553 2.923 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928974 QMHVCKKLCWOWOC-RPWUZVMVSA-N 448.571 2.768 0 40 IFAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)nc2)C1=O 22989778 ZLDUARCCCKLISV-DEOSSOPVSA-N 440.463 2.826 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)c1 26832307 IESVXHTULBSMQN-UHFFFAOYSA-N 436.917 2.728 0 40 IFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@@H](CN1CCOCC1)c1ccccc1 28875795 YXKYSMUCCPYEGV-LFCNWEHWSA-N 425.573 2.509 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3cc4ccccc4o3)C1=O)OCO2 30345796 SBKINOJKSJJSJZ-HSZRJFAPSA-N 449.419 2.770 0 40 IFAB CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O 30884114 UCAOEWRYTXQODZ-ILRDCQBQSA-N 430.593 2.903 0 40 IFAB biogenic,in-vitro CCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 32830881 DLSNKQPISXKVSW-CQSZACIVSA-N 430.505 2.966 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 32841529 YEFOSSJGUNDBRX-UHFFFAOYSA-N 431.539 2.769 0 40 IFAB C[C@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)CCn1cnc2ccccc21 32916446 VSVNISWNLDCUEX-HXUWFJFHSA-N 441.601 2.557 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2Br)cc1OC 33407898 ZLHAGRLTVMOQTD-LLVKDONJSA-N 443.319 2.772 0 40 IFAB Cc1ccc(CNCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 33757755 RLYOSAVUKBKZAL-UHFFFAOYSA-N 437.565 2.771 0 40 IFAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)c1 38828477 YIAMWWRGSRWYIH-ZENOOKHLSA-N 425.489 2.610 0 40 IFAB Cc1cccc(CSCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 38851674 GIKPULRLTZTPLS-FQEVSTJZSA-N 434.583 2.880 0 40 IFAB CON(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3ncccc23)cc1 40152688 BBBFQYGYCNBHTL-UHFFFAOYSA-N 441.918 2.871 0 40 IFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 44840674 ODNOSMXDRKVZQW-CQSZACIVSA-N 441.484 2.799 0 40 IFAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1C 57589663 XQZTVKRSVGRUOF-HSZRJFAPSA-N 444.539 2.726 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 58151199 NSJZNNWYSVLOBJ-UHFFFAOYSA-N 426.542 2.565 0 40 IFAB COc1ccccc1CN1CCc2nc(SCC(=O)NCc3ccco3)nc(O)c2C1 67291242 FPIPRDVQZMXHQE-UHFFFAOYSA-N 440.525 2.751 0 40 IFAB COC(=O)[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F 69563300 NPNHNEGJEOHRPZ-YOEHRIQHSA-N 441.450 2.964 0 40 IFAB O=C(O)c1cccc(N2C(=O)C[C@@H](N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)C2=O)c1 69598140 OXJCRRSKACWNDE-OAQYLSRUSA-N 447.491 2.574 0 40 IFAB COc1ccccc1CCNC(=O)[C@@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1 70656071 GNKJSDWPUSKFOB-HXUWFJFHSA-N 434.544 2.863 0 40 IFAB CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccc(OC[C@@H](O)CN(C)C)cc2)cc1 79066780 TVHPXHHSXHPMDB-NRFANRHFSA-N 425.529 2.823 0 40 IFAB O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCc2c(ncn2CCc2ccccc2)C1 95456439 WATFFVFYPJIFJR-VWLOTQADSA-N 430.552 2.912 0 40 IFAB CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cnc(N2CCOCC2)nc1 100142739 DRTOXYFYVJWPNB-IEBWSBKVSA-N 433.560 2.915 0 40 IFAB O=S(=O)(c1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)CCCOc2ccccc2)C1 211106979 NVIIBCBHMOBVJN-FQEVSTJZSA-N 441.546 2.863 0 40 IFAB COC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)cc1 224867867 RRRULMIIFYLOQJ-UHFFFAOYSA-N 427.862 2.504 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1ccc(F)c(F)c1 224891022 YTVXQWDPKIIKSK-UHFFFAOYSA-N 430.448 2.845 0 40 IFAB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224956279 BNERTHLEEFWKJM-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB NC(=O)Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 225998170 OTKWXHWFCHHVEN-UHFFFAOYSA-N 429.542 2.677 0 40 IFAB CCN1CCN(C(=O)Cn2nc(C)nc2C)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 257237351 HGBONOZOUASFKF-HXUWFJFHSA-N 437.569 2.925 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1F 257258913 KWBNIJUGNHKUAM-GOSISDBHSA-N 429.477 2.825 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)nc(C)c1CC(=O)NC1CCCCC1 257276590 NUKHXQHYPZTSBD-GHTZIAJQSA-N 428.577 2.970 0 40 IFAB Cc1ccc(-c2noc([C@@H]3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)n2)cc1 257341693 ZLKZXEBIQUXPLV-MRXNPFEDSA-N 427.482 2.994 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 260846329 MGYWQTQNLCLVOY-CYBMUJFWSA-N 444.912 2.837 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 408627070 XUTSEZPSZKCJEN-NSHDSACASA-N 428.894 2.671 0 40 IFAB CCc1nc(S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C(=O)O)n[nH]1 408630894 DOUIFWNISQYFHD-IZZDOVSWSA-N 428.264 2.811 0 40 IFAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NC1CCCCC1 408677799 RQMDUEOPXZWCSO-UHFFFAOYSA-N 446.525 2.965 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408877487 VLNJZLQQTPODNR-LUDQZLGDSA-N 449.532 2.828 0 40 IFAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(C)cs1 409340361 VUJTVMYYMDNKKX-UHFFFAOYSA-N 434.522 2.863 0 40 IFAB CC(=O)c1cccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 409409900 JWAMCTVRSQMFEW-UHFFFAOYSA-N 445.541 2.680 0 40 IFAB O[C@@]1(COc2ccc(F)cc2)COCCN(Cc2cccc(OCCn3ccnc3)c2)C1 2037932426 IRLAOYNBGMMORJ-XMMPIXPASA-N 441.503 2.744 0 40 IFAB O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O 1243340 LWRFPVGDMPQPFQ-UHFFFAOYSA-N 425.416 2.729 0 40 IFAB CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C[C@@H]3CCCO3)cc2c1 1373089 QOGYOUZDZGGNCO-FQEVSTJZSA-N 448.527 2.900 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1cccs1 3247211 JXEFVZKNDJBSDG-UHFFFAOYSA-N 436.555 2.786 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1C 3391440 RMMGXSBJHGTGKC-PSLXWICFSA-N 429.517 2.922 0 40 IFAB CCN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(C)cc2)cn3C)CC1 9119047 OTNDQOIGHRMQKI-UHFFFAOYSA-N 443.544 2.961 0 40 IFAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)c1OC 9253122 VYIHZJOZZPRGFP-ZKMNFCBKSA-N 434.514 2.504 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 10673340 JBTYPEGEEZWDPG-MRXNPFEDSA-N 441.553 2.950 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]2Cn2nnc(-c3cccs3)n2)cc(OC)c1OC 12084982 FMNGQWGGTOMBNU-CQSZACIVSA-N 429.502 2.732 0 40 IFAB O=C(NCCCN1CCCCCC1=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12536671 PZJOAKKYXDLATH-UHFFFAOYSA-N 446.573 2.690 0 40 IFAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C 12778336 VLEKTVOUYDJTRI-UHFFFAOYSA-N 441.435 2.653 0 40 IFAB CCOC(=O)c1ccc(OC[C@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 12947965 BAHBNACGNJLQMB-MRXNPFEDSA-N 447.289 2.719 0 40 IFAB C[C@@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12974798 ZFTBGWLUQNAHPA-HNNXBMFYSA-N 447.523 2.849 0 40 IFAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 12978404 SVFGOYQGLGOWGT-UHFFFAOYSA-N 449.476 2.737 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)[C@@H]1C 13056975 NVWPVKPZBCFCNL-PWHSHALESA-N 447.645 2.813 0 40 IFAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 13164947 IWYSFFGPXBKZGY-CHWSQXEVSA-N 445.570 2.545 0 40 IFAB Cc1ccc(O)c(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 15972695 GCZCLYGXMMZTIH-UHFFFAOYSA-N 438.553 2.835 0 40 IFAB Cc1csc(NC(=O)COC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n1 16256824 QQCFAQRKZRATQN-UHFFFAOYSA-N 442.423 2.639 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 19568191 UQSWWTXAFZOTHD-JOCHJYFZSA-N 448.502 2.740 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)[nH]n2)C1 19707737 RRQAIUIYVCFDDQ-CYBMUJFWSA-N 447.542 2.614 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccc(F)cc1 19744292 NMOOFLCYVAEPMA-IBGZPJMESA-N 448.502 2.767 0 40 IFAB Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)ncc1C(=O)NCc1ccc(F)cc1 19766586 LYBDQYMESMZVGO-UHFFFAOYSA-N 439.535 2.656 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 19797327 AWOLLVJRDLEQGX-OAQYLSRUSA-N 446.550 2.892 0 40 IFAB Cc1cccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1C 19929037 PRELODSOTTXPPV-XYOKQWHBSA-N 441.597 2.927 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc12 20079648 IPSDWEXALCBWFB-JOCHJYFZSA-N 448.502 2.740 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20105242 MMHDITDVCGXWHD-JOCHJYFZSA-N 435.634 2.999 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20460720 XBUDILGXZOMOGW-LJQANCHMSA-N 432.498 2.809 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(C)cc1 20674622 NDCWRDAJXXOZTG-FGZHOGPDSA-N 434.540 2.519 0 40 IFAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 21351895 VSHKUWUUGVYCQF-KRWDZBQOSA-N 441.509 2.978 0 40 IFAB COc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)c1 22775926 QAUMGMNLJIXLMM-UHFFFAOYSA-N 427.549 2.772 0 40 IFAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCN(CC(=O)N2CCCC2)CC1 23178937 OOCHNZJPBNUGKI-UHFFFAOYSA-N 430.936 2.694 0 40 IFAB C[C@@H](c1nnc(S[C@H](C)c2nc(N)nc(N(C)C)n2)n1-c1ccc(F)cc1)N(C)C 24904229 YLRZTAFTXRJSFF-NWDGAFQWSA-N 431.545 2.716 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 31066070 DKTVBRVWNUIGIP-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB O=S1(=O)CC[C@@H](N(Cc2cccc(F)c2)C[C@@H](O)COc2ccc(Cl)cc2)C1 32594249 KKDTWOFEPUNPTQ-RTBURBONSA-N 427.925 2.908 0 40 IFAB CCN1C[C@H](CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)Oc2ccccc21 32781127 USBOEHYPCOAOKW-SFHVURJKSA-N 431.558 2.733 0 40 IFAB COc1cc(-n2c(=O)c3ccccc3n(CC(=O)C(C)(C)C)c2=O)cc(OC)c1OC 34858144 MKGDEXAFZSLWJR-UHFFFAOYSA-N 426.469 2.793 0 40 IFAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(Cl)cc3)c(=O)n12 35982220 AJQGTQBEYHJKPB-UNONDDSJSA-N 440.908 2.512 0 40 IFAB Cn1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@@H]2c1ccco1 38519864 LCCCCFRGRIYFIN-SWLSCSKDSA-N 437.431 2.618 0 40 IFAB COCCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 39591890 LOSZUFSGQMCYMK-OAHLLOKOSA-N 429.546 2.850 0 40 IFAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCn2c1nc1ccccc12 40086695 GHWPFLKLQGZZMZ-DEOSSOPVSA-N 429.480 2.772 0 40 IFAB CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)ccc1Cl 40151958 ZEVMFLFXVIYUHF-XUSGNXJCSA-N 434.924 2.775 0 40 IFAB CCc1nc(CN2CCN(C(=O)[C@@H](NC(=O)c3ccc(OC)cc3)C(C)C)CC2)cs1 48313965 RCQVMSAGZKIBPC-NRFANRHFSA-N 444.601 2.813 0 40 IFAB O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCN(c2ncccn2)CC1 67262597 NAYZSKZYKJQILZ-UHFFFAOYSA-N 446.902 2.735 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850254 YDQKTUUAXDGORG-KRWDZBQOSA-N 434.518 2.542 0 40 IFAB CCN(C(=O)CN1CCCN(Cc2ccccc2)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 72308372 OSYGPFIVUSLWEA-OAQYLSRUSA-N 441.597 2.939 0 40 IFAB C[C@@H](C(=O)N1CC[C@@H](c2ccccc2)C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326722 MIFNXXLMGPXENM-UDJSKEQPSA-N 447.535 2.922 0 40 IFAB Cn1nc(C2CCN(C(=O)c3ccc(Br)o3)CC2)n(-c2ccccc2)c1=O 77146489 BCPSDECQNROPSJ-UHFFFAOYSA-N 431.290 2.946 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1OCC 89267955 JIHVOAANVXZDPJ-QFIPXVFZSA-N 445.541 2.671 0 40 IFAB C[C@H](O)C[C@@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 89895225 VJQLMTWIDHYBCW-RDJZCZTQSA-N 438.571 2.714 0 40 IFAB O=C(c1cc(=O)c2cc(Br)ccc2o1)N1CCN(CCc2ccncc2)CC1 95099720 LVLNIZCUOGKZGQ-UHFFFAOYSA-N 442.313 2.951 0 40 IFAB COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N1CCc2ccc(C)cc21 95441976 DDCOFRKBLGPHAT-UHFFFAOYSA-N 425.304 2.616 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Nc4cccc(OC)c4)CC3)C2=O)cc1 100209968 BLBPLMJXFGFVHR-NRFANRHFSA-N 437.496 2.690 0 40 IFAB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 106446233 SPYBVEWMODTHLX-XFFZJAGNSA-N 435.820 2.627 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(OC(C)C)c(OC)c2)Oc2ccccc21 218788148 ZZTGMTNANRTMAJ-OAQYLSRUSA-N 448.541 2.716 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)c1 222601315 LQMNEJRJWSQIFP-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1nnc(SC(C)C)s1 222898858 VTMNSZXEVSNISV-UHFFFAOYSA-N 444.604 2.869 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223074685 VAJIHHSBDQZZGG-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB Cc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 224355717 CLOVWLGDRRZURC-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1OC 225162116 DLKIAWQYSYMUSH-UHFFFAOYSA-N 448.526 2.595 0 40 IFAB CCn1cc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)c(=O)c2ccc(C)nc21 225735687 YLRLVIIZDUVSNI-UHFFFAOYSA-N 446.555 2.792 0 40 IFAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 257258299 KTGCNHGMANCBAE-JOCHJYFZSA-N 445.523 2.650 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 408593681 NTAWGDQEROTOBD-UHFFFAOYSA-N 428.514 2.578 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccccc1 408624786 UMFLBBBWWGYJNC-UHFFFAOYSA-N 442.541 2.602 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408671418 YATHBYRLRYKMQZ-RJYYBVGHSA-N 432.904 2.877 0 40 IFAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccccc1 408710025 LUZLAZGOUAZASG-UHFFFAOYSA-N 431.492 2.923 0 40 IFAB O=C(NCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710126 PPIHMLUHFPZWDF-UHFFFAOYSA-N 445.475 2.643 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CCNC(=O)c1ccco1 501148411 GYEPYZTZAYXYIY-FQEVSTJZSA-N 436.512 2.861 0 40 IFAB Cc1c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)sc2nc3n(c(=O)c12)CCCCC3 520300806 JXPLSWRYPQLQGO-LBPRGKRZSA-N 428.480 2.859 0 40 IFAB O=C(Cc1ccccn1)NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN21 585110220 YGHMNTKMCVAUNJ-PKTZIBPZSA-N 441.535 2.829 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCc1cc(OC)no1)C2 643576167 QTTARENXBHJVLY-UHFFFAOYSA-N 445.516 2.722 0 40 IFAB Cc1cc2n(n1)C1(CCN(C(=O)c3c(C)noc3C)CC1)CC(=O)N2Cc1ccncc1 1772596387 CJWPEXULRFPBQT-UHFFFAOYSA-N 434.500 2.760 0 40 IFAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc(OC)c1OC 2198527 PNVIMXXNKKGLES-HXUWFJFHSA-N 438.480 2.926 0 40 IFAB Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCOCC4)CC3)c3ccccc23)cc1 2367889 GFXRQOSEFPFPOX-UHFFFAOYSA-N 431.540 2.586 0 40 IFAB CC(C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 3319337 WQVQMJLDUIMQPX-UHFFFAOYSA-N 442.896 2.986 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cc(=O)n2cc(Br)ccc2n1 3375816 VGYVZUGRASLCHX-QHHAFSJGSA-N 429.226 2.942 0 40 IFAB CNC(=N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)NC)cc3)c(N)c2)cc1 4821858 ZWYFJHVUYCSVJQ-UHFFFAOYSA-N 443.511 2.863 0 40 IFAB COc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)cc3o2)[C@H]2CCS(=O)(=O)C2)cc1 8915169 VYQOSPDJOVCQDX-KRWDZBQOSA-N 441.505 2.940 0 40 IFAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)Nc1cccc2ccccc12 9001302 YPWYMRNWFNDLHE-UHFFFAOYSA-N 437.459 2.793 0 40 IFAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3c(NC(C)=O)sc(C)c3C)nc2c1 9253991 YXPQHZKXPJXRMH-UHFFFAOYSA-N 429.454 2.703 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3F)C2)c1 9410921 GJXSLWRSZBKEMG-GOSISDBHSA-N 433.461 2.740 0 40 IFAB CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 9471420 HSCCYOHWOMHGDJ-UHFFFAOYSA-N 440.331 2.627 0 40 IFAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3CCc2ccccc2)n(C)c1=O 9519129 WGVGTXWVGBMSCT-GOSISDBHSA-N 443.551 2.952 0 40 IFAB CC(C)c1ccccc1OCC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9588068 SSEJSBOFLGWZII-UHFFFAOYSA-N 436.505 2.988 0 40 IFAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 12141911 UOMDQQFIPXUBIT-FQEVSTJZSA-N 441.557 2.816 0 40 IFAB CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(S(=O)(=O)CC)CC1 12156681 CAYHSRZXQUDGFL-QGZVFWFLSA-N 426.510 2.704 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(NC[C@@H]3CCCO3)s1)OCO2 12761626 MANPTXCHBFGRJD-NSHDSACASA-N 436.515 2.791 0 40 IFAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cnn1-c1ccccc1 12790713 ANYCELWKSNIJBS-UHFFFAOYSA-N 446.479 2.606 0 40 IFAB COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S[C@@H](C)c3nc(C)no3)nc2c1 12821161 STKRGEKADTWOBE-FZMZJTMJSA-N 430.486 2.907 0 40 IFAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccccc2Cl)CC1 12850324 FPUZAUXKRPOZBA-OAHLLOKOSA-N 429.904 2.531 0 40 IFAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1OCC 12997265 WGGPQHOCBDOYKO-GFCCVEGCSA-N 438.365 2.517 0 40 IFAB CNS(=O)(=O)c1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 12998499 AEWUXVCBXVFTAN-UHFFFAOYSA-N 442.537 2.834 0 40 IFAB Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1 14120745 YPILKKPBBCPSLF-UHFFFAOYSA-N 429.473 2.956 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCN(CC)C2 15823444 IUEYONJZGULKAA-UHFFFAOYSA-N 441.509 2.538 0 40 IFAB C[C@@H](NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1)C12CC3CC(CC(C3)C1)C2 16050698 QSKRVUNJERYGKA-XSXQVXRUSA-N 434.558 2.936 0 40 IFAB COc1cccc(-n2nnc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)cnc32)c1 16960701 GGBFOAVJVPNGCB-UHFFFAOYSA-N 444.373 2.643 0 40 IFAB COc1ccc(CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)c(OC)c1 19552170 XZIGONKQGPTGAK-OAQYLSRUSA-N 428.533 2.512 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2cnccn2)CCO1 19580832 GUUUGWCNQDAFHA-VWLOTQADSA-N 448.498 2.825 0 40 IFAB Cc1ncc(CN2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)s1 19693034 HCOHWYBJQPUUIC-IBGZPJMESA-N 438.557 2.647 0 40 IFAB Cc1nn2c([C@H]3CCN(C(=O)COc4ccccc4)C3)ccnc2c1Cn1ccnc1C 19707971 PSYWNTLKHHODQU-IBGZPJMESA-N 430.512 2.986 0 40 IFAB CS(=O)(=O)N1CCC(c2ccc(C(=O)Nc3cccc(-n4cccn4)c3)cn2)CC1 19708141 SQEWRKOYVVBXGL-UHFFFAOYSA-N 425.514 2.659 0 40 IFAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CCN(C)C2 19708830 ARSBRTYFIGMSAJ-OAHLLOKOSA-N 433.553 2.522 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 20021111 DREIYUYFOLWTFA-AWEZNQCLSA-N 426.922 2.521 0 40 IFAB COC(=O)c1cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)ccc1Cl 20245347 DUFSQBVFIAHHCW-UHFFFAOYSA-N 443.884 2.517 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(O)c4ccccc4n3)CC2)cc1 22053193 HXHGHNGFSVOSGU-INIZCTEOSA-N 426.542 2.965 0 40 IFAB CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCC(C)CC4)CC3)C2=O)cc1 22133999 NKHXTTWHHYIJQN-NRFANRHFSA-N 427.545 2.688 0 40 IFAB CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccc2ccccc2c1 27515964 XCMZMJFBJIDKSB-YDUAIELLSA-N 435.476 2.923 0 40 IFAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1NC(=O)c1ccccc1)NCc1ccccc1 27516670 QHIFZOVOEHPPTM-OAQYLSRUSA-N 442.475 2.875 0 40 IFAB Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C[C@H]2CCCO2)c1C 27956245 MZRNSWJQALGIMC-OAHLLOKOSA-N 438.500 2.804 0 40 IFAB CCn1c(=O)n(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc21 32847991 QJVFBKWJFGQQGG-UHFFFAOYSA-N 447.461 2.976 0 40 IFAB CCOC(=O)C1=C(CSc2nc3nc(C)cc(C)n3n2)NC(=O)N[C@H]1c1ccccc1 32910396 FPEYFVQUFAMUDB-KRWDZBQOSA-N 438.513 2.705 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N(C)Cc3ccccc3)CC2)c(C)c1 34868165 KRXSKCVYRCWIPC-UHFFFAOYSA-N 429.586 2.577 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCc2ccccc21 36390556 ZTXQMUAETZXQRX-DNVCBOLYSA-N 430.526 2.709 0 40 IFAB Cc1c(Br)cc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1Br 36612300 FQBREXVCYIBFBB-UHFFFAOYSA-N 448.140 2.916 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 36613867 FRXCIXQLQQVDCM-HUUCEWRRSA-N 440.466 2.851 0 40 IFAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1)c1ccc(OC)cc1 38753504 PBWKSXPVFMEAIA-FQEVSTJZSA-N 448.541 2.606 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 38755736 WYWWMZCXEZMQQK-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC 40309252 RTRXCFVUOVPMQV-PXNSSMCTSA-N 430.505 2.672 0 40 IFAB biogenic COc1cc(C)ccc1Oc1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cn1 58077514 WBCIKTABZWRTQG-UHFFFAOYSA-N 434.518 2.736 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C(=O)O)ccc2C)N2CCCC2)cc1 71281993 ZCOCTWZTJKOCNB-HXUWFJFHSA-N 425.485 2.594 0 40 IFAB COc1cccc(Cc2cccc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)n2)c1 72350348 QVBBCTSEVRVTCG-GOSISDBHSA-N 426.542 2.983 0 40 IFAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 95447502 RKUOILFLEWBTQI-UHFFFAOYSA-N 439.578 2.669 0 40 IFAB O=C(c1c2c(N3CCOCC3)ncnc2n2ccccc12)N1CCC(N2CCCCC2)CC1 96146716 PIAFFVHEXDGMST-UHFFFAOYSA-N 448.571 2.810 0 40 IFAB COC(=O)c1nccc2c1cc(I)n2S(=O)(=O)c1ccccc1 96321340 NYILJEQBXITCEY-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB Cc1cc2nc(C[C@H](NC(=O)c3c(C)cc(C)n(C)c3=O)c3ccccc3)cc(O)n2n1 100220756 YIQNDFIFWXRABQ-IBGZPJMESA-N 431.496 2.773 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccc(OC)cc45)C3)C2=O)c(OC)c1 100792847 JPTJNPBUCICDGR-OAQYLSRUSA-N 435.480 2.884 0 40 IFAB biogenic O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC1(c2ccc(Br)cc2)CCC1 102138970 VILGATZUWXEEGD-LUVWLHFXSA-N 429.314 2.752 0 40 IFAB Cc1ccc(CN2C[C@H](C(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1 105771239 QIUQNOZTESHRCK-RPBOFIJWSA-N 448.611 2.839 0 40 IFAB CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 220672776 NHVQKSTZDDWPJP-GOSISDBHSA-N 434.514 2.675 0 40 IFAB O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@H](Cc4nc(-c5ccsc5)no4)C3)ccc2o1 220946919 FRCBNJVWEOOODH-GFCCVEGCSA-N 446.510 2.876 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 222686080 JUUAZSAVOXRPQT-HNNXBMFYSA-N 446.525 2.742 0 40 IFAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OCC 223736942 CCZXYHDVXRCZJU-GFCCVEGCSA-N 442.563 2.970 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)CC1 224198059 IYIJZWRSXZNVCN-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB COc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 224651388 BCJMULTXFNPWKH-UHFFFAOYSA-N 432.527 2.710 0 40 IFAB CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)[C@@H]3CCS(=O)(=O)C3)(c3ccccc3)CC[C@@H]2O1 257298794 RNHGWVKSXWAXDH-DJOKNYQHSA-N 449.613 2.594 0 40 IFAB O[C@H](CN=c1[nH]c(=NC[C@H](O)Cc2ccccc2)[nH]c2ccccc12)Cc1ccccc1 511459934 HACPVMVSBJPQJE-FCHUYYIVSA-N 428.536 2.505 0 40 IFAB O=C(C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21)NCC1CCOCC1 585095197 JPAGUZVURFGOHY-LFCNWEHWSA-N 440.588 2.916 0 40 IFAB COc1ccccc1Cc1nnc(S[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)o1 589275769 NBKFNAHNGVLUFH-MAUKXSAKSA-N 432.546 2.510 0 40 IFAB C[C@@H](N)C(=O)N1CCOCCOc2ccc(-c3cncnc3)cc2Cc2cccc(c2)C1 643555886 AMLOKAFZVVDSDW-GOSISDBHSA-N 432.524 2.819 0 40 IFAB O=C(O)C[C@H]1COCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 675094987 BEOSQIDSTNBSEK-LPHOPBHVSA-N 430.888 2.903 0 40 IFAB Cc1cc(C)cc(C2(C(=O)N3CCN(Cc4ccccc4)C[C@@H]3C(N)=O)CCOCC2)c1 1848352582 LUMWTYHUNSIVSK-HSZRJFAPSA-N 435.568 2.550 0 40 IFAB COc1ccc(CCN2C[C@H](CN3C(=O)NC4(CCCCCC4)C3=O)CC2=O)cc1OC 2298064973 JGELVSYYCAZDOA-GOSISDBHSA-N 443.544 2.740 0 40 IFAB CCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1 3270288 DZENZNGVWLYFSG-AWEZNQCLSA-N 434.568 2.916 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 3272360 AYXSWFHXPLBMSC-UHFFFAOYSA-N 425.485 2.854 0 40 IFAB CCOCCCn1c(SCC(=O)N[C@H](C)COC)nc2sc(C)c(C)c2c1=O 4790121 OCVCQUMUCJVQEE-GFCCVEGCSA-N 427.592 2.745 0 40 IFAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3Cc2ccccc2Cl)n(C)c1=O 8706086 ILSCRSRPCFWTTJ-UHFFFAOYSA-N 434.887 2.512 0 40 IFAB COc1ccc(CNC(=O)Cc2c(C)c3ccc(OC(C)=O)cc3oc2=O)cc1OC 9410370 SCBGHLKWZVTEJM-UHFFFAOYSA-N 425.437 2.903 0 40 IFAB O=C(c1cnn(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1)c1ccccc1O 9544408 KVYBBVFBVWHCDO-UHFFFAOYSA-N 433.445 2.822 0 40 IFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC[C@@H]1COc2ccccc2O1 9712816 YZCISMHUDZFTFD-CYBMUJFWSA-N 427.438 2.514 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1C 9761601 YBFBRDMVZUPAEK-UHFFFAOYSA-N 446.456 2.933 0 40 IFAB NS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1 11691606 NMIRFUKLVZBVPM-UHFFFAOYSA-N 437.886 2.507 0 40 IFAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc2c(c1)OCO2 12233181 JEJBJHLNYHTPNF-HNNXBMFYSA-N 447.476 2.987 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2s1 12360313 BKWLCIHADVJHRB-UHFFFAOYSA-N 430.551 2.895 0 40 IFAB CC(C)(C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12512071 OJEYRLKYVUPGQV-UHFFFAOYSA-N 441.937 2.893 0 40 IFAB COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)on2)cc1 12857881 DDDQFBJVEFLSRM-UHFFFAOYSA-N 431.489 2.996 0 40 IFAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCC(=O)N1CCOCC1 12979338 FNCPXTUUPFNRFK-UYRXBGFRSA-N 436.464 2.586 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 13036852 ZUXQTKUHRAXOLK-UHFFFAOYSA-N 443.511 2.880 0 40 IFAB C[C@H](NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)c1cc2ccccc2o1 13128790 DGIRDFKFEIPPJX-SBUREZEXSA-N 449.507 2.736 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c(C)c1 13669998 LEGVURWATHYUER-UHFFFAOYSA-N 426.441 2.855 0 40 IFAB COc1ccc(-c2cc3ccc(OCC(=O)NCCN(C)C)cc3oc2=O)cc1OC 13719106 SPTXNHLQCNNBDB-UHFFFAOYSA-N 426.469 2.534 0 40 IFAB COc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1S(=O)(=O)N(C)C 14252351 BMWFZHFPJFDONS-IBGZPJMESA-N 443.525 2.848 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(OC)c(Cl)c1)c1ccc2c(c1)OCCO2 14398501 VTHVWZBCXWWBDV-UHFFFAOYSA-N 440.905 2.915 0 40 IFAB O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 15824920 KZFRFDCYXCPXHR-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccn1 16050594 GZRNJOLPJAQYIO-OAQYLSRUSA-N 443.594 2.994 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 17028076 DSTKIGUHOLPXIJ-UHFFFAOYSA-N 435.480 2.906 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2cnccn2)CCO1 19580834 BAWDYYSXRIVCFR-RUZDIDTESA-N 430.508 2.686 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 19591848 PSQNVPVRSCAGDE-AREMUKBSSA-N 445.519 2.957 0 40 IFAB Nc1n[nH]c2nc(C3CCN(C(=O)COC[C@@H]4CCCCO4)CC3)cc(C(F)(F)F)c12 19745108 GJHMGDHVEYOCSR-ZDUSSCGKSA-N 441.454 2.851 0 40 IFAB CCOC(=O)C1=C(CNCc2ccccc2F)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 20518229 QZFLRQOUMVQHIF-HXUWFJFHSA-N 427.432 2.515 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@@H]3c1cccs1 20567090 BPWLHZSRVCYLMS-LJQANCHMSA-N 426.494 2.741 0 40 IFAB CCCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 22388963 XMZVPUSRMQCUDV-UHFFFAOYSA-N 426.560 2.884 0 40 IFAB Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)o2)cc1 24777885 RWZYAHALOUDOJE-UHFFFAOYSA-N 443.511 2.907 0 40 IFAB O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCN(C(=O)C2CC2)CC1 25169921 JOPKVUOKNSFEHN-UHFFFAOYSA-N 425.489 2.829 0 40 IFAB CC(C)[C@@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O 36398781 JJYZZVBOMDNFOP-IIAWOOMASA-N 434.566 2.713 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 40018286 MQZDLXZGZNEHEY-FQEVSTJZSA-N 441.915 2.999 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1 40309854 XVKLSEKTYYXKGR-ICSRJNTNSA-N 430.505 2.672 0 40 IFAB biogenic COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)CCC(=O)O 50025834 BRIHFMHKMIHWAK-GOSISDBHSA-N 445.497 2.609 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318396 YIDCPKPRIKJPKS-QFIPXVFZSA-N 438.503 2.737 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)c1 57490162 KXTXFHOLEQMBIB-UHFFFAOYSA-N 435.505 2.847 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)n1 72334720 LDDZAEMZVMIQKC-LJQANCHMSA-N 426.484 2.843 0 40 IFAB Cc1nn([C@@H](C)CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338882 JZLBQYJTFKADCW-RCDICMHDSA-N 445.589 2.728 0 40 IFAB COCc1cc(N2CCOCC2)nc(C2=CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)n1 72339635 VMOCFJVKWGWINC-OAQYLSRUSA-N 444.963 2.936 0 40 IFAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2Oc2cccnc2)cc1 78737205 ANWFTBLKXHVLPT-UHFFFAOYSA-N 436.515 2.510 0 40 IFAB O=C(OCc1ccccc1)N1CCC[C@@H]1CS(=O)(=O)N1CCC(n2ccnc2)CC1 84539387 LQDKHABMNCGBKX-HXUWFJFHSA-N 432.546 2.651 0 40 IFAB O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 95429892 FPAIKTQRZDHLKT-HNNXBMFYSA-N 429.402 2.931 0 40 IFAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 95459230 BCZWGPYRCXINJL-RBUKOAKNSA-N 435.446 2.981 0 40 IFAB CN(Cc1cnc(N(C)C)nc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 95468537 AXTQVDMZFGRIJG-UHFFFAOYSA-N 443.504 2.755 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H](COCC(=O)NC2CCN(C(=O)c3ccco3)CC2)C1 95984271 UCHRXMFLVZWDOZ-KRWDZBQOSA-N 449.548 2.664 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 105117278 JDNMJGGAOGRPRJ-VGSWGCGISA-N 438.553 2.826 0 40 IFAB CCc1ccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 224187882 CFNNLUQDKMHPDE-UHFFFAOYSA-N 433.574 2.674 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)c2)cc1 224285534 LHHINGXAPJRYKV-NHCUHLMSSA-N 432.542 2.896 0 40 IFAB CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 224389803 PTMIFDWPHSQQFP-FQEVSTJZSA-N 432.542 2.706 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224752140 ZBOHRJXOCLFBSF-IBGZPJMESA-N 445.585 2.705 0 40 IFAB COc1ccc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c(OC)c1OC 225526211 IOUHZLLUUKCLKI-UHFFFAOYSA-N 439.559 2.595 0 40 IFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c(OC)c1 225845951 IJQSLENPKLKSKK-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB COc1ccccc1[C@H]1CN(C(=O)c2ccccc2OCCN2CCOCC2)CCN1C 257292202 QKLKGZAQAOGTIL-JOCHJYFZSA-N 439.556 2.535 0 40 IFAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)ncn1 257325442 WSYPVSMGXBVHRQ-FQEVSTJZSA-N 448.449 2.784 0 40 IFAB COc1cccc(Nc2ncccc2C(=O)N2CCC[C@@](C(N)=O)(c3ccccn3)C2)c1 257329431 XJZFXTLXYMTNLM-DEOSSOPVSA-N 431.496 2.888 0 40 IFAB Cc1cc(C)cc(CN2CCC3(CC2)CNS(=O)(=O)c2cnc(N4CCCC4)nc23)c1 306143720 YKKOMYSGKLIYCM-UHFFFAOYSA-N 441.601 2.519 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 408588387 FWSGQZAHXCYTKG-UHFFFAOYSA-N 446.525 2.958 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408655529 DHRSVOWEYZXKFH-JLMKVHRTSA-N 439.295 2.896 0 40 IFAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)N2NC=NC2=N1 409378546 PYSWFDOUIPMICN-INIZCTEOSA-N 431.374 2.899 0 40 IFAB CN1CCOc2ccccc2CCCCCC2(CCN(C(=O)Cn3cncn3)CC2)C1=O 643562006 DUQHDAMMSNADES-UHFFFAOYSA-N 439.560 2.541 0 40 IFAB COc1cc2cc(C(=O)N[C@@H](C)C(=O)NCCc3ccccc3)[nH]c2c(OC)c1OC 1627654797 UCFWILKSSYVBRE-AWEZNQCLSA-N 425.485 2.671 0 40 IFAB Cc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1C 655970 YBGBIHSBTZCMJH-UHFFFAOYSA-N 442.541 2.506 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 6531073 JBFWJJPWKGSFID-GASCZTMLSA-N 429.952 2.613 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 8944440 ICBLDBUWFBKEJA-HZPDHXFCSA-N 447.532 2.636 0 40 IFAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 9123805 FWHWUPWANJGDDO-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br 9324352 UNUURQRNISYYSW-WUXMJOGZSA-N 444.259 2.512 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nnc3[nH]c(=O)ccn23)sc2c1CCCCC2 9829341 YKPJSRGGPMIUDA-UHFFFAOYSA-N 447.542 2.656 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10860013 GJTJKMSTFTXYRZ-LBPRGKRZSA-N 431.445 2.514 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(OC(F)F)cc1 11070128 DONVQIRHWCNEQO-AWEZNQCLSA-N 446.454 2.922 0 40 IFAB CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)[C@@H]1CCS(=O)(=O)C1 11347787 VPOGIVFNDOIZFQ-CYBMUJFWSA-N 434.543 2.736 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2ccccc2F)CC1 12133203 XPCKGSVEZNYUJM-UHFFFAOYSA-N 446.548 2.568 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 12916632 ZVJHIUNTKNZKKN-OAHLLOKOSA-N 442.965 2.930 0 40 IFAB Cc1c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cnn1-c1ccccc1F 12946303 SAIKXSJFBSLAKM-UHFFFAOYSA-N 442.516 2.903 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)OC(C)(C)C)ccc2Cl)C[C@H](C)O1 13287704 FVPCFEVTAHXZMH-STQMWFEESA-N 447.937 2.636 0 40 IFAB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2cccc(C)c2C)CC1 13504275 RVUBFXYMMRRUCC-HSZRJFAPSA-N 436.560 2.857 0 40 IFAB O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 13566579 JBWPHAMLIGMFPU-UHFFFAOYSA-N 425.466 2.584 0 40 IFAB COc1ccccc1N1CCN(c2nc(CSc3nc(C)cc(C)n3)cc(=O)[nH]2)CC1 13611406 SOGODWOIOURTQO-UHFFFAOYSA-N 438.557 2.804 0 40 IFAB COc1cc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)cc(OC)c1OC 13732598 YHJKWJDHRAYZNX-UHFFFAOYSA-N 437.499 2.946 0 40 IFAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 14136786 OGWYVQXAGZNCQQ-HUUCEWRRSA-N 431.514 2.695 0 40 IFAB CN1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 14520493 RERDVJRKXAZUDZ-HXUWFJFHSA-N 449.580 2.875 0 40 IFAB Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)CN4CCCC4=O)C3)c2)c1 19235431 ALVNDTRRDUNNOM-AREMUKBSSA-N 433.552 2.921 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2ccccn2)CCO1 19529286 UTMSQEMNNIVTAR-RUZDIDTESA-N 430.508 2.734 0 40 IFAB COc1ccccc1S(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2 19698054 CRYICTWGGIZKHE-UHFFFAOYSA-N 446.573 2.940 0 40 IFAB CC(C)NC(=O)c1cc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12 19759691 IFQPBXJSXPDELK-QFIPXVFZSA-N 434.544 2.803 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)C2)ncc1C(N)=O 19763744 WPQSVSQZVMCDQC-ZDUSSCGKSA-N 446.433 2.659 0 40 IFAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCCN2S(=O)(=O)N2CCCC2)n1 19767190 LIVVVPGBOONXTN-HXUWFJFHSA-N 443.573 2.583 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20107366 AXYZXRLMHMWBPU-UHFFFAOYSA-N 437.493 2.562 0 40 IFAB COc1ccc(-c2nnc([C@@H](C)N3CCN(CC(=O)N4CCCCCC4)CC3)o2)cc1 22804473 ZQXJOWNZCLRAML-GOSISDBHSA-N 427.549 2.826 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 23256820 VWOIFSLJPAQSMG-UHFFFAOYSA-N 447.583 2.645 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 24831457 FYYNIQQDEDISAP-QFIPXVFZSA-N 445.585 2.520 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 26187816 HVATTXIZFRECQE-UHFFFAOYSA-N 431.539 2.835 0 40 IFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 29197343 OIDIZGQCUBTREN-CQSZACIVSA-N 447.504 2.912 0 40 IFAB COc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1 30878990 OFNDFAYCMWWBBO-SSPYTLHUSA-N 439.556 2.755 0 40 IFAB biogenic,in-vitro O=C(Nc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1)c1cccs1 32722132 QXPVJZMHNXJDLG-QZTJIDSGSA-N 448.566 2.809 0 40 IFAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 32885672 VHAWZGWFULTXBK-OAQYLSRUSA-N 425.533 2.723 0 40 IFAB O=C(CN1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1)NCc1ccccc1 32907714 CTNUNKKNTSTJQM-UHFFFAOYSA-N 443.551 2.565 0 40 IFAB O=S(=O)(CCCNS(=O)(=O)c1ccccc1Br)Cc1ccccc1 32916429 YITYYJFQLMCPKI-UHFFFAOYSA-N 432.361 2.733 0 40 IFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)c1 36623054 LGUGGUDJKJIYMW-UHFFFAOYSA-N 428.533 2.606 0 40 IFAB CCn1c(SCC(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)nc2ccccc21 58162093 XDNWAACDQUOFEE-MRXNPFEDSA-N 436.628 2.625 0 40 IFAB CCOc1ccc(C[C@@H](CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C(N)=O)cc1 58162149 FIEUNYOHAMEORQ-KRWDZBQOSA-N 449.515 2.539 0 40 IFAB Cn1ccnc1COc1ccc(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)cc1 65604807 PYBYPTCGFQKWOP-FQEVSTJZSA-N 447.539 2.949 0 40 IFAB CCOC(=O)N1CCC(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@H](C)CC)CC1 67239288 XCZMXNMQJNUMKC-CQSZACIVSA-N 449.577 2.833 0 40 IFAB COc1ccc(CCNC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)cc1OC 77100438 WWJOCLZNOXEVJL-UHFFFAOYSA-N 437.378 2.551 0 40 IFAB O=C1CCCN1c1ccc(Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 90610209 ZUDYCFXMFKNEAV-UHFFFAOYSA-N 432.455 2.970 0 40 IFAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 96099619 PSAMRZKNHOWWIA-UHFFFAOYSA-N 449.525 2.800 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 100395415 NQAKXRMWKLZAAY-NWCWSAAOSA-N 432.398 2.795 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4)[C@H]3C2=O)cc1Cl 101168782 SDDJWDYPONSLJZ-ZWKOTPCHSA-N 427.848 2.589 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c2)C[C@@H](C)O1 106149532 MQTRKODKGKIYAR-MBOZVWFJSA-N 448.589 2.526 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 222505391 VNMICZMBAMLCGE-QGZVFWFLSA-N 448.944 2.825 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1NC(C)=O 223906762 PXDOHJPIOLQOAP-UHFFFAOYSA-N 436.877 2.836 0 40 IFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 224161737 AEHMCUXGKCJNJA-GFCCVEGCSA-N 448.526 2.847 0 40 IFAB CCn1nc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)cc1C 257321215 WAPQPJVFSDTCGT-KSSFIOAISA-N 449.349 2.759 0 40 IFAB O=C(NCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408626948 YNBGEAIGGDXJTO-DEOSSOPVSA-N 439.581 2.565 0 40 IFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)C1=O 409012628 KUJCUUFMFUTVOU-SEJMYLSOSA-N 437.470 2.625 0 40 IFAB CN(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409061876 JLSZLEDROVIVKE-XZOQPEGZSA-O 431.491 2.908 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)[C@H](C)S(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 502611849 DYWYXMAACVLKQW-KBPBESRZSA-N 445.928 2.629 0 40 IFAB CN(c1nnc(-c2nnc(O)c3ccccc23)n1C)C1CCN(C(=O)c2ccccc2)CC1 584200934 VYSLJLHLBBMCRP-UHFFFAOYSA-N 443.511 2.872 0 40 IFAB Cn1c(CNC(=O)CN2CCC[C@@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)nc2ccccc21 585183569 VIBOQRNJHPLNCU-HXUWFJFHSA-N 447.518 2.875 0 40 IFAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)cc1 585270415 WBZBVBPSTLSSCS-HXUWFJFHSA-N 428.529 2.568 0 40 IFAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H](Cc2ccc(Nc3ccccn3)nn2)C1 585292724 RVAQSEPTLOOACW-FMAYLGMYSA-N 431.544 3.460 0 40 IFAB CN1CCN(CC(=O)NC2CCCC2)CCOc2ccccc2Oc2ncccc2C1=O 643575565 KYTPKUFHKOSHNW-UHFFFAOYSA-N 438.528 2.699 0 40 IFAB NC(=O)c1ccc(CCC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 1154077792 FFPKEFUMWONKMH-IBGZPJMESA-N 437.544 2.976 0 40 IFAB Cc1cccc(F)c1C(=O)NC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2ccccc2)CO1 2055759252 CNRBRRUQKKMTCV-KRWDZBQOSA-N 436.487 2.669 0 40 IFAB COC(=O)Cn1nnc(-c2nnn(COC(C)=O)c2-c2ccccc2)c1-c1ccccc1 1060976 PTSSDSDZXYXGLD-UHFFFAOYSA-N 432.440 2.564 0 40 IFAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O 1461413 ZQUHIZNGLHHKTL-CYBMUJFWSA-N 442.855 2.961 0 40 IFAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)NCc1ccccc1 3235144 LPFHSHSBRYHXSZ-UHFFFAOYSA-N 436.917 2.598 0 40 IFAB O=C(OCc1c(F)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3463911 ZSCQJUXHCJIWBK-UHFFFAOYSA-N 431.844 2.996 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2C)no1 3480267 JLZJUWMKXZFVLH-HNNXBMFYSA-N 435.436 2.801 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1ccc(Cl)cc1)n2C 6153255 BFIZYGFKRXLODD-UHFFFAOYSA-N 448.976 2.769 0 40 IFAB Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CSCC(=O)O)n1 8623075 SMJUHXOHQAPKSR-XHSDSOJGSA-N 446.598 2.625 0 40 IFAB biogenic,in-vitro CCOc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 9124833 XCJANACRUBZKLF-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 9224912 MXVODZLYRABOQV-UHFFFAOYSA-N 449.488 2.881 0 40 IFAB COc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC(C)C)CC3=O)cc2)cc1 9329303 MZYXECBYUMYERN-QGZVFWFLSA-N 439.512 2.838 0 40 IFAB COc1ccc(C(=O)NCCc2nnc(S[C@H](C)C(=O)NC3CCCCC3)n2C)cc1 9505859 PBGFHWODXMNLLE-OAHLLOKOSA-N 445.589 2.726 0 40 IFAB CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)N1CCc2ccccc21 9583056 JPAYWCJOWLXIFE-UHFFFAOYSA-N 428.543 2.617 0 40 IFAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[C@H](C)C2 9599739 UODMCBVJQMAXGL-LBPRGKRZSA-N 435.571 2.735 0 40 IFAB O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 9646982 XYEQEZGZCCQTEZ-UHFFFAOYSA-N 436.946 2.734 0 40 IFAB CC1CCN(C(=O)Cn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)CC1 9715042 MAVDBQQOKVICKC-UHFFFAOYSA-N 449.555 2.782 0 40 IFAB COc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1OC 11693846 CMMHTIUDHKIBFY-UHFFFAOYSA-N 437.431 2.756 0 40 IFAB COc1cccc(C(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)c1 11914210 PARSELTXEHVGGY-CYBMUJFWSA-N 428.304 2.880 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCCC[C@@H]3c3cccnc3)CC2)Nc2ccccc21 12085887 WXRKTCCSSNTSOU-BWKNWUBXSA-N 447.539 2.700 0 40 IFAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1 12289050 DSWULZXTPNAZAA-QGZVFWFLSA-N 443.507 2.876 0 40 IFAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O 12758025 BXTIDMRWBISFHV-UHFFFAOYSA-N 428.533 2.659 0 40 IFAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 12815425 JTCWHEXTRGLUAY-OAQYLSRUSA-N 441.553 2.691 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12913951 NWDZEHKYHFUVAK-UHFFFAOYSA-N 428.554 2.901 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)o2)cc1 12917221 COLNCSGNWGGYIR-CYBMUJFWSA-N 447.542 2.938 0 40 IFAB CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 12984735 CNTDERBHFFKEEB-UHFFFAOYSA-N 435.933 2.882 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 13632312 NVGRDIBDEVVHFJ-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB O=C(Nc1nnc(Cc2cccs2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 13653606 HDWMYLHHMKHURQ-OAHLLOKOSA-N 436.490 2.653 0 40 IFAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 15506136 ZOORSAIISUSPPR-OYHNWAKOSA-N 432.423 2.764 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(-c3cccc(F)c3)c1=O)NCC2 17196798 CFORGQQKKOQWSH-GOSISDBHSA-N 429.473 2.992 0 40 IFAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)CCn4nccc4C)CCO3)c2)cc1 19212672 AFAMXMFQMFXSIG-AREMUKBSSA-N 446.551 2.883 0 40 IFAB Cc1cn(CC(=O)N2CC[C@](Cc3ccc(-c4ccsc4)cc3)(C(=O)N(C)C)C2)nn1 19238737 SGMKAQVNNKANOU-HSZRJFAPSA-N 437.569 2.865 0 40 IFAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)CCn3c(C)cc(C)nc3=O)CC2)n1 19692113 IVQJKMQDOZBVLD-UHFFFAOYSA-N 432.528 2.817 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CCN(C)C2 19708642 IHTBIFDERCHPET-OAQYLSRUSA-N 448.571 2.606 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1 24176425 BSSZSAHSYVDNPV-SFHVURJKSA-N 433.530 2.862 0 40 IFAB CCOC(=O)c1ccc(C(=O)Cn2nc(N)n(Nc3ccc(OC)cc3)c2=S)cc1 28535188 CMTDFECMGPMNGK-UHFFFAOYSA-N 427.486 2.940 0 40 IFAB COC(=O)c1cc(-c2csc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)n2)c[nH]1 30987043 XIXAVDBGKUTWBV-UHFFFAOYSA-N 429.483 2.794 0 40 IFAB CCOc1ccccc1NC(=O)Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2 32616287 PZQRZDAYJGEHHO-UHFFFAOYSA-N 436.493 2.657 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1-n1cnnn1 32646405 LWLKNXDABJTXSM-UHFFFAOYSA-N 441.333 2.819 0 40 IFAB COc1cc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)ccc1OC(C)C 32741403 XTZSWYABFFBLIR-GOSISDBHSA-N 449.573 2.928 0 40 IFAB CN(Cc1ccccc1NC(=O)Cn1nnn(-c2cccs2)c1=O)C1CCCCC1 32900677 MIVMKHHXZVGMID-UHFFFAOYSA-N 426.546 2.894 0 40 IFAB Cc1ccccc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 32933024 XLCYGXFAKPAEOP-UHFFFAOYSA-N 434.583 2.549 0 40 IFAB CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)sc2n1 32937108 UCPHBRSDYDKNFP-UHFFFAOYSA-N 428.514 2.673 0 40 IFAB O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 35807634 SAPRKDGLPXUFSO-RPWUZVMVSA-N 430.552 2.969 0 40 IFAB biogenic COC(=O)c1cnc(N[C@H](C)c2cc(C)sc2C)c(S(=O)(=O)N2CCOCC2)c1 40153585 PYLKYBGFVCAXNA-CYBMUJFWSA-N 439.559 2.741 0 40 IFAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 49551752 GTGTWCVOPBDLPY-GFCCVEGCSA-N 434.880 2.959 0 40 IFAB COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 55408738 KFAIVIJYKNHWBC-FCHUYYIVSA-N 428.554 2.833 0 40 IFAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c12 57286212 LDZQNNUYAFFCPV-QGZVFWFLSA-N 428.583 2.976 0 40 IFAB COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC 57531371 BZYJITTWENPWEU-GJYPPUQNSA-N 440.443 2.973 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C)CC23CCCCC3)NC(=O)N[C@@H]1c1ccccc1 72308921 GSCUQVMOUJKJRB-OAQYLSRUSA-N 426.561 2.808 0 40 IFAB COc1ccc2c(c1)C=C(CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3cnc(OC)nc3OC)C1)CO2 72392616 BLXAOIYZHXGZET-LZBHBKQYSA-N 439.512 2.508 0 40 IFAB CSc1cccc(NC(=O)[C@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 80332039 UCAGHLIQEKQZGP-GOSISDBHSA-N 428.562 2.693 0 40 IFAB CCc1ccc(S(=O)(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)s1 96024236 YKIOTNWAVNRZRL-UHFFFAOYSA-N 446.598 2.595 0 40 IFAB COc1c(C(=O)N2CCN(Cc3ccccc3)CC2)nnn1Cc1ccccc1Cl 96183546 PJNXCGXQANEYLJ-UHFFFAOYSA-N 425.920 2.946 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccc(F)cc1 96521129 TWOWEPGQTYZZDT-VHSXEESVSA-N 437.068 2.778 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@H]3[C@H](C(=O)[C@@H]4OC[C@@H]3O4)[C@H]3C=Cc4ccccc4N23)cc1OC 100249566 NOZZTXUAPWQXFG-DHAHFQNYSA-N 433.460 2.727 0 40 IFAB biogenic,in-vitro CC(=O)Nc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1 101503339 RNHYDVQKXBJLJI-INIZCTEOSA-N 444.451 2.768 0 40 IFAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)n1 113481309 NHNSVEGLUJJAHX-CHWSQXEVSA-N 434.974 2.973 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(NCC(C)C)c(C(=O)O)c2)cc1OC 217621954 HZIIDKYLWCHCAD-UHFFFAOYSA-N 436.530 2.991 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222555332 HAZBYFIEDIIFDH-UHFFFAOYSA-N 448.497 2.673 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1NC(C)=O 223907168 WROGQCHBNXNAHT-UHFFFAOYSA-N 430.486 2.833 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccccc1F 224855129 XOQSRFDVYOMUFV-UHFFFAOYSA-N 430.505 2.874 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCC1)c1ccc2c(c1)OCO2 225370706 AVCWZBOPBLNNBL-UHFFFAOYSA-N 428.576 2.754 0 40 IFAB Cc1ccc(-n2nccc2-c2nc(C(=O)NCCCn3ccnc3)c3cnccn23)cc1 306128058 GPAWLJCDKHQRGT-UHFFFAOYSA-N 426.484 2.907 0 40 IFAB O=S1(=O)c2ccccc2O[C@]2(CCN(Cc3cccnc3)C2)CN1Cc1ccccn1 306145128 ZZAPPYLXEBGOSY-QHCPKHFHSA-N 436.537 2.705 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCOCC1 408693292 MUXRFDAWBRMAHB-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB O=C(CN1C(=O)N/C(=C/c2cc(Br)ccc2O)C1=O)Nc1ccccc1F 409214200 WODRNGHKUCFGQT-RIYZIHGNSA-N 434.221 2.825 0 40 IFAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)c1 409364082 LDLYIOPRKSUXAW-VCHYOVAHSA-N 439.493 2.843 0 40 IFAB O=C(Cn1ccnc1)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643574950 CZRPEXMEZGQSSG-UHFFFAOYSA-N 426.561 2.549 0 40 IFAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccncc2)cc1 1418787 QFXRNZXBIZIIJA-HSZRJFAPSA-N 433.464 2.927 0 40 IFAB CCN(CCS(=O)(=O)c1ccc(Cl)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 3434111 UQRVLUJWKSCNGD-UHFFFAOYSA-N 438.933 2.846 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 3593394 KAIAWCPIQLQXPY-NRFANRHFSA-N 444.329 2.965 0 40 IFAB CC(C)CCNC(=O)CCc1nnc2n(CCCOC(C)C)c(=O)c3ccccc3n12 4193523 GTFXOESKSZWIOB-UHFFFAOYSA-N 427.549 2.954 0 40 IFAB Cc1cc(C)cc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)c1 8636474 XNDLTVPCAXEIAF-HGJUEJDCSA-N 425.554 2.613 0 40 IFAB biogenic,in-vitro CCOc1ccc(OCCNC(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)cc1 8727984 SGIGDSNNDSIRCW-QHCPKHFHSA-N 443.475 2.577 0 40 IFAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)COc3ccccc3F)c2n1 8942774 CTAAIWTWHODVND-UHFFFAOYSA-N 432.525 2.950 0 40 IFAB O[C@@H](CNCc1ccccc1)COc1ccc(OC[C@@H](O)CNCc2ccccc2)cc1 9144807 SPDPKQTVSTWZBZ-ZEQRLZLVSA-N 436.552 2.746 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1 9428097 OTWIUEYALLAGOV-AWEZNQCLSA-N 427.486 2.947 0 40 IFAB CCCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O 9461901 ZMDPRQGTJNRBGN-QNGOZBTKSA-N 449.532 2.837 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccn2)CC1 9585717 XASGXKJZGHCJQA-UHFFFAOYSA-N 428.558 2.609 0 40 IFAB CSCC[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2[nH]1 9670774 ZVGGPZMYFWWKBM-INIZCTEOSA-N 429.546 2.728 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccccc3F)C2)c1 9677757 BBNORZNVJHKBGP-SFHVURJKSA-N 425.507 2.698 0 40 IFAB Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)NCc4ccc5c(c4)OCO5)nc32)cc1 9712349 SCQSVJHVGOYIIT-UHFFFAOYSA-N 449.492 2.554 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(F)c2)c(C)c1 9806387 GPRDQLYGIDAWKN-LJQANCHMSA-N 447.532 2.659 0 40 IFAB COc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 11000952 YRQQLMGPTBYAAR-UHFFFAOYSA-N 448.541 2.558 0 40 IFAB COc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1Cl 12069442 RWGFIYXAABHASA-UHFFFAOYSA-N 430.936 2.616 0 40 IFAB COCCN1CCS(=O)(=O)c2c(F)c(F)c(C(=O)Nc3ccc(OC)cc3)c(F)c21 12322756 XINQFYQEWVXVON-UHFFFAOYSA-N 444.431 2.605 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O 12522359 ZYOVSNUSTOTFLU-HJPURHCSSA-N 428.533 2.599 0 40 IFAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1OCC 12977510 FHNANIHWERTQJT-UHFFFAOYSA-N 448.541 2.639 0 40 IFAB CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 12983097 LOFIGRRAYFBJQU-KRWDZBQOSA-N 435.594 2.886 0 40 IFAB CCOC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13149557 NAUNUUMAGZNBFI-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(Cc3ccccc3)C(=O)c3ccccc32)cc1 18068388 ZBNAPTLRTBIWDU-KGENOOAVSA-N 433.489 2.970 0 40 IFAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19404157 WBGZBSQRLDHVMN-GHTZIAJQSA-N 436.560 2.952 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 19449061 WXLWHLMPAUYEPH-CYFREDJKSA-N 439.581 2.980 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cn2ccnc2)CCO1 19529263 MZHSMOGPEQSOLN-QHCPKHFHSA-N 438.553 2.588 0 40 IFAB COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 19561893 HTBFQVWRRAYJTI-IBGZPJMESA-N 437.475 2.627 0 40 IFAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694128 DWBZJHWPSWQUJL-OAHLLOKOSA-N 444.536 2.651 0 40 IFAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 19824320 QYLVQQFMNMMWQR-UHFFFAOYSA-N 430.618 2.954 0 40 IFAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20024589 OOSGNYHSSHBNMW-KRWDZBQOSA-N 432.542 2.526 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccccc1F 20461209 LRCRRPXQXAZFDQ-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 20466851 UIYBYOQFZGGRHH-UXSJUTMFSA-N 444.616 2.936 0 40 IFAB biogenic,in-vitro CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 27466043 XFABIDWKHYGSQF-HXUWFJFHSA-N 438.509 2.951 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 31066114 WVXUTKPMRPPHHZ-INIZCTEOSA-N 426.469 2.855 0 40 IFAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1C 32125305 LJEMBWJPXYUEEM-UHFFFAOYSA-N 446.598 2.512 0 40 IFAB C[C@H](Nc1nc2ccccc2s1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 32768640 FVMCVZDMEXQTNK-INIZCTEOSA-N 444.582 2.771 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)n1 36360303 BMULBYQKVNICBZ-UHFFFAOYSA-N 438.465 2.852 0 40 IFAB COC(=O)c1cn(Cc2ccc(C(C)(C)C)cc2)nc1S(=O)(=O)N1CCSCC1 49402204 CWCGZLRCYMVTAU-UHFFFAOYSA-N 437.587 2.753 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CCc2ncc(C(=O)O)c(Nc3ccccc3)n2)cc1 49469768 VLMOIOPSZCKJOF-UHFFFAOYSA-N 426.498 2.954 0 40 IFAB O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)N1CCN(c2ccc(Cl)cc2)CC1 49483697 ZKJHLYJMVPPWSC-UHFFFAOYSA-N 438.919 2.533 0 40 IFAB COc1ccccc1Cn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccsc2c1=O 57425596 SCIFPKFYPHWQNJ-OAHLLOKOSA-N 445.566 2.902 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 58144049 VDHBIFFCUGKQIW-HOZJOUCCSA-N 426.561 2.501 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1Cl 62580532 VKPLDMNOJGRDFA-UHFFFAOYSA-N 434.942 2.785 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)NC(=O)N1CCN(c2ccccc2)CC1 71328991 LKEFNORALGKCIW-MRXNPFEDSA-N 439.516 2.512 0 40 IFAB Cc1nc(N)c2c(C(F)(F)F)cc([C@@H]3CCCN(C(=O)c4ccn(C)c(=O)c4)C3)nc2n1 72346268 STAVWLRQFPWLPK-CYBMUJFWSA-N 446.433 2.653 0 40 IFAB Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)c4cnccn4)C3)on2)cc1 72396002 JCPMAXYOOUINOA-XMMPIXPASA-N 433.512 2.993 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)NCCn1ccc2cc(Br)ccc21 72401561 RZTRMCRFKXUIOM-UHFFFAOYSA-N 425.286 2.930 0 40 IFAB CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 78877650 XHVXGKLHCVISMG-CVEARBPZSA-N 438.571 2.884 0 40 IFAB CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[C@H]1S(C)(=O)=O 83855557 JLCGXPJZLGJICT-IAGOWNOFSA-N 449.495 2.971 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(C(=O)OC)c3)n2)cc1 84746646 CSHLDAXYDQYSKG-UHFFFAOYSA-N 437.456 2.722 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)c(C)c1 95351725 ZSRKRMRGEWIZRI-INIZCTEOSA-N 435.933 2.951 0 40 IFAB COCc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1OC 95965977 GNHLVGPOEOVTEJ-HNNXBMFYSA-N 425.485 2.678 0 40 IFAB COc1cccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@@H]3C2=O)c1 101277533 BLEYRPWDQPMCOZ-OALUTQOASA-N 432.440 2.855 0 40 IFAB CCCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 223037354 FFXGZNWGOFOSTL-UHFFFAOYSA-N 434.558 2.854 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccc(F)cc1F 224812247 GNCAIUGHWXDWDD-UHFFFAOYSA-N 426.485 2.844 0 40 IFAB CNc1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)ccn1 257258029 KSBXXQYJSBSCFD-HXUWFJFHSA-N 425.464 2.821 0 40 IFAB CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306126541 DYTMTPNGONNGEC-QPPBQGQZSA-N 433.560 2.611 0 40 IFAB C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)NC1CCCCC1 408593904 QNWNLQRCCBQXAM-HNNXBMFYSA-N 445.541 2.803 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(OC)c1 408657797 PJULIZDSKGOIDC-DOTOQJQBSA-N 426.469 2.795 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 504331362 ZWDYXNOEIUTSHH-XHOYROJHSA-N 435.549 2.982 0 40 IFAB biogenic COCC(=O)Nc1nc2ccc(-n3c[n+]([O-])c(C(=O)Nc4ccccc4)c3C)cc2s1 1547211203 ZQEJGAZROCSZNL-UHFFFAOYSA-N 437.481 2.866 0 40 IFAB CCOc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(Br)cn2)CC1 1888901225 ASHDDCKHNCQGOJ-UHFFFAOYSA-N 442.335 2.870 0 40 IFAB Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C)c1Cl 676896 DTRJAGGESGSWTI-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 780768 TUYRVTQKGVBZSK-KRWDZBQOSA-N 440.924 2.965 0 40 IFAB O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 2652169 WZDDXYONJDGZJC-UHFFFAOYSA-N 425.510 2.721 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3393557 DPZBLFMFIVIRJQ-JTSKRJEESA-N 444.484 2.907 0 40 IFAB O=C1CC(=O)NC(NN2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)=N1 5838666 PGWSHZXVGCVESQ-DHDCSXOGSA-N 442.262 2.530 0 40 IFAB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)c1cn(C)c2ccccc12 8994545 JSSFLXUOAIDKJF-UHFFFAOYSA-N 426.425 2.812 0 40 IFAB CCOc1ccc(N2C[C@@H](CNC(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1 9039647 MJIHMFNECGPQND-QGZVFWFLSA-N 427.501 2.955 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NCC(=O)Nc2cc(C(=O)OC)ccc2C)c1 9220576 LNSITGHITMUXSV-UHFFFAOYSA-N 433.530 2.863 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 9341444 ORZLKSXTUZGZDJ-NRFANRHFSA-N 431.533 2.636 0 40 IFAB Nc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518052 KWTFGMXKPRLOTG-UHFFFAOYSA-N 431.424 2.613 0 40 IFAB CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)s1 9591763 HGNKNFNTEQACJD-QHCPKHFHSA-N 439.537 2.987 0 40 IFAB Cc1ccc(NC(=N)Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 9935242 ISXDPHBPGOXCEY-UHFFFAOYSA-N 433.501 2.805 0 40 IFAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc2ccccc2oc1=O 9980214 VTBIHEMPTMOPNV-UHFFFAOYSA-N 427.210 2.920 0 40 IFAB O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Cl 11455767 HRKUJBDXMHKQNI-OAHLLOKOSA-N 431.913 2.984 0 40 IFAB Cn1nc(C2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)CC2)c2cccnc21 12186801 MNQAJHXVIMPRSH-UHFFFAOYSA-N 426.542 2.928 0 40 IFAB COc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1O 12329047 XPLXWOGTWAYXMR-UHFFFAOYSA-N 427.526 2.713 0 40 IFAB COC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 12602979 JKHQTOAKPJNMSG-UHFFFAOYSA-N 446.403 2.679 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12746510 ANZPRBADCXVIRM-UHFFFAOYSA-N 430.526 2.905 0 40 IFAB COc1ccc(NC(=O)NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 12854413 DSSXQKRBCZGKCK-UHFFFAOYSA-N 446.529 2.630 0 40 IFAB C[C@H]1CCc2c(sc3ncn(C[C@H](O)COCc4ccc5c(c4)OCO5)c(=O)c23)C1 12910296 JXFGKSKJNKSNLU-ZFWWWQNUSA-N 428.510 2.889 0 40 IFAB Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C 13565778 GKKWIJLELPNNBH-UHFFFAOYSA-N 428.558 2.934 0 40 IFAB CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@@H]1c1ccccc1Cl 13566258 SFASTPMVWDRHJS-GFCCVEGCSA-N 425.923 2.737 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2cccc(O)c2)cc1 13573754 ZVKWZBOZIZDKEE-JOCHJYFZSA-N 433.464 2.540 0 40 IFAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 16215335 RBWQVOODPZHSIE-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(Br)o1 16777637 AUMZERJPLKEDPV-UHFFFAOYSA-N 445.317 2.950 0 40 IFAB NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)CCC4CCCC4)CC3)no2)C1 19292180 RDIHOLFVYDVGNL-SFHVURJKSA-N 430.549 2.689 0 40 IFAB CC(C)c1nccn1CC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 19454354 DAXCQXCCVFWHMP-UHFFFAOYSA-N 434.548 2.726 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCc4c(C)noc4C)C3)c2N)cc1 19580565 GELJUGGXBLNCNP-MRXNPFEDSA-N 437.500 2.732 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693419 KEVZNHDUOXTYED-SFHVURJKSA-N 434.544 2.955 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 20013944 ZUIGYPQAZMVUHU-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB CC[C@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1ccc(F)cc1)S(C)(=O)=O 20111380 NPUVNPMAAORRGX-LJQANCHMSA-N 430.505 2.872 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCCNC(=O)c3ccco3)cc2)C1 21339062 OTEUAOGLTSPCTK-INIZCTEOSA-N 433.530 2.849 0 40 IFAB Cc1cc(C)c(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c(C)c1 22388646 SQKPCWYALCOHQP-UHFFFAOYSA-N 433.549 2.866 0 40 IFAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1 22925297 PYOQMNZVPIIDCD-UHFFFAOYSA-N 436.600 2.815 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 23681093 QXDGBTLUKVWMQR-PXNSSMCTSA-N 437.587 2.562 0 40 IFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1 24750144 DLSHFHPMWKNCJC-UHFFFAOYSA-N 435.634 2.920 0 40 IFAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 24809638 POTLZLRRNLMAPL-UHFFFAOYSA-N 434.340 2.630 0 40 IFAB CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2cccnc2)c1 25347210 VKOKLKFYKHATSO-UHFFFAOYSA-N 426.336 2.708 0 40 IFAB COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 35144225 HFSPPLAXLBIXIO-CXUHLZMHSA-N 431.422 2.855 0 40 IFAB CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CSc1ccc2c(c1)OCCO2 58229454 SGZZUVKLJNPPMB-QGZVFWFLSA-N 436.574 2.816 0 40 IFAB CN(C(=O)c1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1Cl)C1CCCCC1 58438426 ABGPXVXQJJAYQV-UHFFFAOYSA-N 444.985 2.806 0 40 IFAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 71279795 FZRIUXRLGKDXKO-UONOGXRCSA-N 435.502 2.701 0 40 IFAB Cc1c(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)oc2c(C)cccc12 72313756 HIBJXDMBZOIQAD-UHFFFAOYSA-N 434.452 2.795 0 40 IFAB CN1CCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)CC1 72347980 ICIYNRBLKPZGFP-OAQYLSRUSA-N 443.555 2.705 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1OC 77100042 OUUZCXMNDOUWEU-VQHVLOKHSA-N 446.511 2.867 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 89618647 OBAGALHDWUJCJA-UHFFFAOYSA-N 431.558 2.565 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@](C)(O)c3ccc(-c4ccccc4)cc3)cc21 96025776 OFTJKHBKEXBRBY-QHCPKHFHSA-N 438.505 2.985 0 40 IFAB COC(=O)C[C@H](c1c(O)cc(C)n(CC(=O)O)c1=O)c1ccc(OC)c2ccccc12 96222151 VUXKMYXOIACJKL-KRWDZBQOSA-N 425.437 2.804 0 40 IFAB biogenic COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 100210154 ZPKGMTPGTKOPNI-ZQAYVECASA-N 437.883 2.780 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@H](c3ccco3)CC(=O)[C@H](C)[C@@H]24)c1 100786006 SOLPERFSTZHDQZ-YYQCEGSNSA-N 448.475 2.728 0 40 IFAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 102813687 UZOQQYAEEPJMRW-DURKPXIESA-N 440.908 2.512 0 40 IFAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3CN3CCC[C@H]3CO)c2c1C 106924729 WKNMYJDJDRXGTD-OALUTQOASA-N 445.633 2.566 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220344452 DQTZCMRAKOFUOX-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccccc2F)cc1 223232901 PFZCNKLHCMQKOI-UHFFFAOYSA-N 426.535 2.504 0 40 IFAB COc1ccccc1CN(C)S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 223500974 HKWJQECASZXATK-UHFFFAOYSA-N 432.527 2.928 0 40 IFAB CCCOc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 223588030 GCGPMKRZHBNVCY-UHFFFAOYSA-N 426.564 2.833 0 40 IFAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cc1 224490561 ZUDYXHHIWJCXJQ-UHFFFAOYSA-N 439.921 2.561 0 40 IFAB Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 225697576 SWXBZHJMPGRGJU-UHFFFAOYSA-N 429.542 2.631 0 40 IFAB COc1ccc(CCNC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1OC 225950201 YSYYDECPLZICOQ-QGZVFWFLSA-N 440.949 2.697 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 226002078 VUHMTHVVBXSDBU-UHFFFAOYSA-N 430.526 2.849 0 40 IFAB O=S1(=O)CC[C@H](S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)C1 247314109 JLXGPDMDOXBTIA-WMZOPIPTSA-N 442.534 2.915 0 40 IFAB Cc1nc(C(=O)N2CC[C@@]3(CCn4ncnc4[C@H]3NC(=O)Nc3ccccc3)C2)cs1 306130747 JOKIRXKNDSFLRX-DYESRHJHSA-N 437.529 2.842 0 40 IFAB CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408559943 XHLMEPOTWQROEY-UHFFFAOYSA-N 432.970 2.825 0 40 IFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575612253 KKLONEJGBDCQJD-LLVKDONJSA-N 434.262 2.749 0 40 IFAB C[C@@]1(c2cccc(CNC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)NC(=O)NC1=O 1115985781 NQPRURQGHSXJCL-GCJKJVERSA-N 442.903 2.678 0 40 IFAB Cc1ccc(C(=O)[C@H](NC(=O)c2cccs2)Nc2ccc(S(N)(=O)=O)cc2)cc1 2995513 PMEUTMTXQIVWDZ-IBGZPJMESA-N 429.523 2.755 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 3341859 KGEZJXZFZHBYJT-LLVKDONJSA-N 430.404 2.798 0 40 IFAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 5706771 IMKAKHAILFSCIT-UIAACRFSSA-N 428.485 2.845 0 40 IFAB Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 8704212 CNJSCSHZOCDKBN-IBGZPJMESA-N 448.571 2.861 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9124747 MEPGQCRLMHFWDO-LJQANCHMSA-N 441.553 2.848 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3cccc4ncccc34)CC2)cc1 9217011 XHOUWVJXPCHHBT-UHFFFAOYSA-N 438.553 2.878 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9341136 JJVSXKUKWDEISB-QGZVFWFLSA-N 446.916 2.860 0 40 IFAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)c1 9410012 DAEUQYJMWHGXSC-ZGDJDIHISA-N 436.464 2.638 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 9427817 GORGYMRBLRTABL-UHFFFAOYSA-N 448.501 2.620 0 40 IFAB Cc1ccccc1-c1nnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1C 9724065 YBXXXWBVKFLOIF-QGZVFWFLSA-N 448.614 2.841 0 40 IFAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 10218378 ZQMMLTLPCGKKER-UHFFFAOYSA-N 429.454 2.700 0 40 IFAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n2C)cc1Cl 10233774 ILCOOEPLSTYRMP-UHFFFAOYSA-N 429.908 2.625 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nnc(CC)[nH]2)c(C(=O)OCC)c1C 11712244 DERYXQCRUTWWFU-UHFFFAOYSA-N 426.520 2.821 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)c3ccccn3)CC2)on1 12133130 UFJAUGILFIXRFU-UHFFFAOYSA-N 447.543 2.607 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 12236008 WQXTWTFJRTZVPB-AWEZNQCLSA-N 437.465 2.679 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)nc4ncccc34)C2)cc1 12254044 DJMYMENURFSYTC-MRXNPFEDSA-N 425.514 2.860 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12887331 PUFAUNJSGVSNDY-UHFFFAOYSA-N 442.463 2.960 0 40 IFAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@H]1CCCO1 12981737 DHAZPJRAMYHICX-SWLSCSKDSA-N 436.361 2.577 0 40 IFAB CN1CCN(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 13425445 VYLLMKKOISMOLN-UHFFFAOYSA-N 429.443 2.672 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 13992301 ADECUGRCAQFDEA-UHFFFAOYSA-N 431.876 2.500 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cc1 14226800 WJYGRIYQYXLKSH-UHFFFAOYSA-N 427.482 2.647 0 40 IFAB CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15446768 JEIUXPHXZUDNIV-LJQANCHMSA-N 445.907 2.957 0 40 IFAB O=S(=O)(c1ccc(CNCc2ccc(Br)cc2)cc1)N1CCOCC1 17317370 CWEMCGSDDGYEJC-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB Cc1ccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 17780661 RANFALVLDVGJJU-CALCHBBNSA-N 436.574 2.831 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCC(O)(Cn3ncc4cc(NC(C)=O)ccc43)CC2)cc1 19022289 IGKSMOATGPCVHV-UHFFFAOYSA-N 449.511 2.620 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 19528421 PRDPJVRRSQMHMA-CYFREDJKSA-N 439.581 2.981 0 40 IFAB CC1CCN(CCC(=O)N2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)CC1 19692449 SOJMHDNPTBFGSF-HSZRJFAPSA-N 436.556 2.869 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768541 RYQRKEFCYYDMSG-UHFFFAOYSA-N 438.571 2.657 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 25456579 MOQQUOLWRHYHQC-XXBNENTESA-N 425.460 2.965 0 40 IFAB O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 27664418 DDDPLLOHRYKKSO-RVKKMQEKSA-N 426.322 2.658 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1F 30849876 XWDPNZSIWVHVCH-UHFFFAOYSA-N 437.474 2.831 0 40 IFAB O=C(CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccc2c(c1)CCC2 32871185 WIIFISXNELABBW-UHFFFAOYSA-N 447.582 2.712 0 40 IFAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 32969298 GPWNGCRRGLXVAR-RUZDIDTESA-N 444.491 2.704 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)c(C)c1 34889292 FBPZIPSMHQFHHV-HXUWFJFHSA-N 429.586 2.970 0 40 IFAB COc1ccc([C@H](CC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)NC(C)=O)cc1 34889327 IXGMUYSZOBZELX-SXGZJXTBSA-N 446.573 2.967 0 40 IFAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCC(N)=O)c1 36393021 NYUNVHRCBMKYRO-FRIJYXMCSA-N 427.545 2.846 0 40 IFAB Cc1cccc(CSCCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44786506 BAPFPHJCQLUFBU-FQEVSTJZSA-N 434.583 2.962 0 40 IFAB NC(=O)c1cn(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c2ccccc12 48287889 GVBWAHXWHNTMHI-NRFANRHFSA-N 440.931 2.583 0 40 IFAB Cc1cccc(NC(=O)Cn2nc3cc(C)nc(N4CCc5ccccc5C4)n3c2=O)c1 57505844 NWYZYIWRVYKCGZ-UHFFFAOYSA-N 428.496 2.709 0 40 IFAB CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 57738412 PLYIDAGUNBEPRI-UXHICEINSA-N 434.945 2.753 0 40 IFAB C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc2c(c1)OCCCO2 64029904 DOFFQGAICLEGPT-CYBMUJFWSA-N 425.528 2.828 0 40 IFAB CCc1cc(C(=O)N(C)Cc2nc(NC)cc([C@H]3CC(=O)N(Cc4ccccc4)C3)n2)on1 72391853 SYXNKPLWNGJVDN-KRWDZBQOSA-N 448.527 2.857 0 40 IFAB CCN(CCNC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 95471653 UJHQYOREPWWGBF-NRFANRHFSA-N 431.558 2.555 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21)Nc1ccc(Br)cc1 101388035 SUUITKOOGZOWKG-JKSUJKDBSA-N 446.236 2.520 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)CC1 220121056 GYAGEVBTCCVGPC-GOSISDBHSA-N 431.558 2.507 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1N1C(=O)CCC1=O 222871990 CUPCLZBNHBGVQU-UHFFFAOYSA-N 444.494 2.668 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 223340239 VPJWOLAQULTRDQ-UHFFFAOYSA-N 434.905 2.635 0 40 IFAB CC(C)Sc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 223848741 BCSXFHSPAHSTQA-LBPRGKRZSA-N 448.979 2.858 0 40 IFAB CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 225616500 FHVWEQNFSQZNGI-UHFFFAOYSA-N 426.538 2.956 0 40 IFAB COc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 306134889 OAMZMLMXGOEXAZ-RSXGOPAZSA-N 444.535 2.882 0 40 IFAB CC(C)N1C[C@]2(CCN(Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O 306135463 ORPFQIBTGZJTPF-JOCHJYFZSA-N 430.526 2.852 0 40 IFAB COc1ccc(-c2nnc3n2C2(CCN(C(=O)Cc4ccccc4)CC2)CN(C)C3)cc1 306141633 WCPJEFZQJJDKKD-UHFFFAOYSA-N 431.540 2.960 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C 408589907 GJOIJIYGMQOPSJ-LBPRGKRZSA-N 442.921 2.980 0 40 IFAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 408596185 RMBYVXXQWLNGJK-OAHLLOKOSA-N 433.530 2.985 0 40 IFAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 408648056 WZWJFEDBLWOMGW-QGZVFWFLSA-N 442.468 2.623 0 40 IFAB CCn1c(SCC(=O)Nc2ncccn2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409124778 KOGYBZKSVSACLD-CQSZACIVSA-N 425.518 2.618 0 40 IFAB Cc1ccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(=O)NC(C)C)o1 585107047 OZHWQGZZMOAWNN-DEOSSOPVSA-N 433.512 2.860 0 40 IFAB CC(=O)N1CCC(CC(=O)Nc2ccc3nc[nH]c3c2)(N2Cc3ccccc3C2=O)CC1 1565524607 LTSVRGBVCARHKS-UHFFFAOYSA-N 431.496 2.929 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1F 1347157 MMHCOQPXRSNUFK-HNNXBMFYSA-N 434.489 2.945 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)c2ccccc2C1=O 3347185 WIMKRSOTKURNNO-GOSISDBHSA-N 426.494 2.895 0 40 IFAB CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 6953228 ZDPUACFHLUSXQU-IBGZPJMESA-N 429.586 2.823 0 40 IFAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)c(=O)[nH]c12 8582587 RYCAEYBFASCZEV-QFIPXVFZSA-N 444.495 2.785 0 40 IFAB aggregator CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cc2C1=O 8692861 JQECRWINANQWRS-UHFFFAOYSA-N 443.525 2.894 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(-c3cccc(C)c3)n1C)n2C 8725189 CKKSQIMFMQHXBV-UHFFFAOYSA-N 439.545 2.620 0 40 IFAB CN(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 9420741 MBAYIVOBDPUSEO-CQSZACIVSA-N 445.570 2.797 0 40 IFAB COc1cc(Cl)c(C)cc1-n1ccnc(NCCc2ccc(S(N)(=O)=O)cc2)c1=O 9639340 CSYVEKZYBPULME-UHFFFAOYSA-N 448.932 2.505 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCCCC1 9665733 XOYWTFQTOCEILZ-UHFFFAOYSA-N 432.498 2.671 0 40 IFAB Cc1ccc(CN(c2ccc(C(=O)NCCCn3ccnc3)cc2)S(C)(=O)=O)cc1 9668798 ADCBWEWGBSFVAN-UHFFFAOYSA-N 426.542 2.978 0 40 IFAB O=C(CSc1ccc2c(c1)CCC2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 9684537 DYXJORQRDSLCKM-UHFFFAOYSA-N 446.594 2.605 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1 10323814 BVCQANSUZBJAAB-UHFFFAOYSA-N 449.504 2.832 0 40 IFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 12188548 HYEWFDWCZUWKSC-UHFFFAOYSA-N 447.417 2.863 0 40 IFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3ccco3)ccc21 12293362 BCGHVIKXCPSDMD-UHFFFAOYSA-N 425.466 2.501 0 40 IFAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1C 12807230 CSGIYIZVQGITPV-UHFFFAOYSA-N 429.542 2.799 0 40 IFAB CS(=O)(=O)Nc1nc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2s1 13724362 QWKSOFJCOLWJST-UHFFFAOYSA-N 434.518 2.769 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)ccc2OC(F)F)ccc1OCC(N)=O 14014331 QHSWJHASWUOGDQ-VMPITWQZSA-N 449.406 2.908 0 40 IFAB Cc1ccc(NC(=O)CS(=O)(=O)c2nnc([C@@H](C)NC(=O)OC(C)(C)C)o2)c(C)c1 15989278 WCPUUUOIHDTVFW-CYBMUJFWSA-N 438.506 2.685 0 40 IFAB O=C(Nc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 16097222 WWWGYNYJPUZQIO-UHFFFAOYSA-N 442.537 2.986 0 40 IFAB CN(CCCNS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 19074924 XRZJSFSQWHHONL-UHFFFAOYSA-N 437.370 2.983 0 40 IFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499392 LGBABQGTFJLYRI-HNAYVOBHSA-N 428.508 2.873 0 40 IFAB Cc1ncsc1-c1nnc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)o1 19563094 YRXVNHZWWDUHOO-CYBMUJFWSA-N 434.499 2.799 0 40 IFAB CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 19797515 YTYHDXDBAXMQJE-NRFANRHFSA-N 437.544 2.890 0 40 IFAB Cc1nc2ccccc2n1Cc1nnc2sc(CN3C(=O)c4ccccc4C3=O)nn12 20102467 MWYOZHSWGAMSKK-UHFFFAOYSA-N 429.465 2.688 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1 20310035 QEJYSJATXCBCHG-UHFFFAOYSA-N 432.480 2.835 0 40 IFAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCC(Cc2ccccc2)CC1 20745200 ANUWIEVIIHBVSQ-FQEVSTJZSA-N 449.507 2.707 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OCC 22362563 NDNZBFCRGXUCAO-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 22388253 SCFCGLZQGPRJAM-UHFFFAOYSA-N 445.585 2.584 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22401255 FYTHEBWFYWMUBF-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 22808297 WJONOXFQDAXGLI-JTHBVZDNSA-N 441.597 2.788 0 40 IFAB CN(C)C(=O)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1 23137545 LXAAYVLUVBNVBC-UHFFFAOYSA-N 445.541 2.627 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(Br)cc2F)c1 25127583 GYQDJPFYDHPOID-UHFFFAOYSA-N 429.311 2.913 0 40 IFAB CCOc1cccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 30862845 YARQMJKKPCGHLE-UHFFFAOYSA-N 426.922 2.830 0 40 IFAB C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 32860341 NRZVXLJPNONGEB-CVEARBPZSA-N 428.510 2.750 0 40 IFAB C[C@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(S(N)(=O)=O)cc1 32862985 LFQANQQCUDBCRQ-ZDUSSCGKSA-N 442.994 2.637 0 40 IFAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 34720894 VYZUHYWZYUGPET-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc(C)n2)n1 36705450 JROQBAJOCBJLMD-UHFFFAOYSA-N 440.935 2.969 0 40 IFAB CCc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(F)cc4)c3=O)n2)cc1 38486762 POZMLDGDXKZBML-UHFFFAOYSA-N 431.431 2.836 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OC[C@H]2CCCO2)c(OC)c1 58953585 RPIAZVSOEOPMDJ-QGZVFWFLSA-N 433.526 2.977 0 40 IFAB CCOc1cccc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 59059082 RIZLDMYZMSDSPU-IBGZPJMESA-N 426.513 2.810 0 40 IFAB CC(C)[C@@H](CNC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCN(C)CC1 72281863 DPJOVLJXDKVDAV-LJQANCHMSA-N 438.601 2.998 0 40 IFAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@H]1CCC[C@@H]1S(C)(=O)=O 72308711 NMTXQZCODOMEJM-HOTGVXAUSA-N 444.619 2.959 0 40 IFAB O=C(Cc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321245 RBKQWVGHDLAVCD-RCZVLFRGSA-N 431.492 2.724 0 40 IFAB biogenic,in-vitro COc1ccc2nc(CN3CCc4c(O)nc(N5C[C@@H](C)O[C@H](C)C5)nc4C3)ccc2c1 72335596 MNYOAYLEVBYXGA-HZPDHXFCSA-N 435.528 2.911 0 40 IFAB COC(=O)c1cc(S(=O)(=O)N2CCc3cc(C(=O)O)ccc32)ccc1Br 78648307 KPSNIAOWHYKNTH-UHFFFAOYSA-N 440.271 2.685 0 40 IFAB COC(=O)C[C@@H](c1c(O)cc(C)n(CC(=O)O)c1=O)c1ccc(OC)c2ccccc12 96222153 VUXKMYXOIACJKL-QGZVFWFLSA-N 425.437 2.804 0 40 IFAB biogenic COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)CN4CCCC4)CC3)[nH]c2C(N)=O)cc1 100687900 VTYIZVMTKNVBSO-MAEOIBBWSA-N 439.560 2.670 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 195528614 MAKXRHGKYHEXQX-LUSYIJFBSA-N 435.471 2.996 0 40 IFAB CCOCCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223397479 RJXKBWFSYBXEPS-UHFFFAOYSA-N 439.346 2.802 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 223685228 YKIKECZEYKADDE-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224631417 PADRITYIPNBUNV-OAHLLOKOSA-N 433.530 2.628 0 40 IFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)cc2)cc1Cl 224871013 IYERQNJVVFHMHK-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225109914 YXRULQQPJAIONU-UHFFFAOYSA-N 439.461 2.688 0 40 IFAB COc1ccccc1C(=O)N1CCN2[C@H](CN(C(=O)c3ccccc3F)CC2(C)C)C1 253402438 OIKZSTZGODGGDA-KRWDZBQOSA-N 425.504 2.895 0 40 IFAB biogenic,in-vitro COc1ccc(CN2CCO[C@]3(CN(C(=O)CC(C)C)C[C@H]3c3cccnc3)C2=O)cc1 306125854 DDYMTLUFCVRDMS-DHLKQENFSA-N 437.540 2.860 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(C)cc2)cc1 408601454 AAGGBKYWBKGRAQ-UHFFFAOYSA-N 442.541 2.602 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652329 CGWNAIQXPWNGTG-CESHALSISA-N 439.295 2.895 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408659711 MSAJEKNBOVVBBE-CQSZACIVSA-N 430.844 2.661 0 40 IFAB CCCN1C(=O)S/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)C1=O 409359118 VYXPEYUKYPDNKT-AQTBWJFISA-N 434.514 2.769 0 40 IFAB O=C1C[C@@H](c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)N2NC=NC2=N1 409375786 PHTKIWBKOQURMV-HNNXBMFYSA-N 431.374 2.899 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)Nc3cc4c(cc3F)N(C)S(=O)(=O)N4C)CC2=O)cc1C 575611001 CYMJHSOJSUZKDA-CQSZACIVSA-N 446.504 2.565 0 40 IFAB CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCC(=O)OC 3310177 JPOXSKDODUSICK-UHFFFAOYSA-N 437.572 2.581 0 40 IFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 3503394 NETAXLVGQDYNLH-UHFFFAOYSA-N 440.239 2.852 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1OC 8883465 WGFFWNRRQUHOEU-KOSHJBKYSA-N 437.496 2.665 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)cc1 8906104 QFPXZILHEFQSMZ-ZDUSSCGKSA-N 434.543 2.693 0 40 IFAB O=C(C1CCN(Cc2ccccc2F)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9062712 DRXIWQBFGWMISJ-UHFFFAOYSA-N 445.560 2.571 0 40 IFAB Cc1csc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)n1 9262422 GEQFJCQVYFBXGD-NSHDSACASA-N 434.522 2.941 0 40 IFAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2cc(S(N)(=O)=O)ccc21 9467046 GTRPEOFDOSWDNY-LBPRGKRZSA-N 434.543 2.832 0 40 IFAB Nc1nc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)nc(Nc2ccccc2)n1 9669487 NIAHDCALXANSJY-UHFFFAOYSA-N 438.513 2.855 0 40 IFAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)N1CCCc2ccccc21 10255330 CYJQKBXXNGFWHT-QGZVFWFLSA-N 425.554 2.983 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)cc1OC 10338774 KGLVQLHOOGVERY-UHFFFAOYSA-N 431.448 2.808 0 40 IFAB CSc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 10663270 OSZUUQGAUSXFOL-UHFFFAOYSA-N 429.951 2.813 0 40 IFAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Cl 11796343 DEVTXJPSWCRDEZ-UHFFFAOYSA-N 439.940 2.751 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 12573251 QPABWLVOTGMAAQ-GFCCVEGCSA-N 445.526 2.973 0 40 IFAB Cn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 13565235 FTGCERLTTBCLLZ-INIZCTEOSA-N 429.546 2.709 0 40 IFAB NC(=O)CCN(Cc1ccccc1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 14199977 XQCHDIMXRXVOGQ-UHFFFAOYSA-N 440.503 2.963 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCCc2ccccc2OC)cc1 15391107 JPXCIVNBLNMERB-IBGZPJMESA-N 446.569 2.996 0 40 IFAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)CC(c1ccccc1)c1ccccc1)CC2 16986752 XQSIRLIVVWMLFP-UHFFFAOYSA-N 445.519 2.651 0 40 IFAB COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CCNC(=O)OCc1ccccc1 17044474 CZDJLEBHQCQYAU-LJQANCHMSA-N 430.526 2.894 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccccc4F)CC3)C2=O)cc1 18217923 IPCOVKFEMUXFOA-HXUWFJFHSA-N 425.460 2.821 0 40 IFAB CC(=O)N1CCCN(C(=O)c2cc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)no2)CC1 19017651 KUESTHNTKGICOL-SFHVURJKSA-N 442.491 2.528 0 40 IFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1 19349728 HJUJCTOJKAPFDQ-KRWDZBQOSA-N 439.415 2.840 0 40 IFAB COc1ccc(S(=O)(=O)NS(=O)(=O)c2nnc(-c3ccccc3Cl)s2)cc1 19419336 XCCZTTUPWSJIRP-UHFFFAOYSA-N 445.931 2.534 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2nonc2N)C1 19528577 OEYHXNWCHBUWPH-DEOSSOPVSA-N 433.512 2.920 0 40 IFAB COc1cccc(CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1OC 19694976 HJSNPNSTMGMMHP-HXUWFJFHSA-N 436.516 2.590 0 40 IFAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CN(C)CC2 19710585 KAXWDRCJFVKRBB-HNNXBMFYSA-N 433.553 2.522 0 40 IFAB CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4cccnc4)C3)nc3ccccc23)CC1 19759221 OJBGLCDFAUQEEF-LJQANCHMSA-N 429.524 2.647 0 40 IFAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)c3cc[nH]n3)CC2)cc1 19759322 WZLMCXQBMAXXNO-UHFFFAOYSA-N 434.500 2.864 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 19858079 UWHAXHWWNXETPR-KRWDZBQOSA-N 430.526 2.947 0 40 IFAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C(=O)O)c(O)c1 20152602 HVMIEJUVAFHRFS-UHFFFAOYSA-N 425.260 2.988 0 40 IFAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)cc1 20456757 QJJISMRLXCSYBO-HNAYVOBHSA-N 448.541 2.888 0 40 IFAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NC[C@@H]1COc2ccccc2O1 22459193 LMIYREZMAPLHJE-CQSZACIVSA-N 444.285 2.505 0 40 IFAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)N1CCCCCC1 22807520 UMYDCWJHIHWFPJ-UHFFFAOYSA-N 439.556 2.739 0 40 IFAB CSc1ncc(C(=O)NCc2ccnc(N3CCOCC3)c2)n1-c1ccc(F)cc1 25291367 FNFAFCNDBJJYBF-UHFFFAOYSA-N 427.505 2.895 0 40 IFAB O=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCOCC3)sc21)c1ccc(F)cc1 32615674 RHAJNFYJRRWIPD-UHFFFAOYSA-N 440.456 2.972 0 40 IFAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 33047523 JRRREXFUOOYERK-SMASLZHESA-N 447.557 2.713 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1 35363890 SWVRIMJCONVLAH-AJGMTHFWSA-N 433.508 2.580 0 40 IFAB biogenic CCOc1ccc(CN2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1 36614796 XULLWACLIAIQQB-UHFFFAOYSA-N 428.505 2.800 0 40 IFAB COc1cc(CCC(=O)NCCCCNC(=O)CCc2ccc(O)c(OC)c2)ccc1O 39559753 OHINCKONHZEPNF-UHFFFAOYSA-N 444.528 2.693 0 40 IFAB biogenic C[C@H]1CN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)cc2F)C[C@H](C)O1 40145487 NHGZRTHVBQWCPJ-STQMWFEESA-N 425.482 2.535 0 40 IFAB Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCN(S(=O)(=O)c2cccnc2)CC1 40154003 JFFDXIHCTSRAIW-UHFFFAOYSA-N 445.976 2.795 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(Cl)sc1C(=O)OC 49549155 KASZPUDTRAPOTP-UHFFFAOYSA-N 449.890 2.793 0 40 IFAB Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c(O)c1 57988036 XNKQPHMOILXSSW-HXUWFJFHSA-N 434.514 2.804 0 40 IFAB CC(C)(C)C(=O)NCCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 58581955 XEMXMKMEFGVOCR-UHFFFAOYSA-N 435.590 2.693 0 40 IFAB COc1cc(=O)c(C(=O)N2CCC(N3CCCCC3)CC2)nn1-c1ccc(F)c(F)c1 67350199 QEBLNYWMUMHZDF-UHFFFAOYSA-N 432.471 2.610 0 40 IFAB O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 69328002 KZQHEQYHSAGSSY-GFCCVEGCSA-N 438.297 2.781 0 40 IFAB O=C1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccncc2N1 72300967 HKLFFCYQSBUVRM-UHFFFAOYSA-N 442.541 2.564 0 40 IFAB Cc1nc(N)c2c(C(F)(F)F)cc([C@H]3CCCN(C(=O)c4ccn(C)c(=O)c4)C3)nc2n1 72346269 STAVWLRQFPWLPK-ZDUSSCGKSA-N 446.433 2.653 0 40 IFAB CN1CCN(C(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)[C@H](c2ccccc2)C1 72392194 IAJDMOVUFGBKSM-QFIPXVFZSA-N 448.498 2.755 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNC(CC)(CC)CC 78969947 GKBRAXIDHRVMAH-UHFFFAOYSA-N 441.594 2.603 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cc(F)ccc3OC(C)C)C2)cc1 95454958 UOODNWNRRQHEBF-UHFFFAOYSA-N 437.493 2.816 0 40 IFAB Cc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 95481501 KXQGADCIKNZSHN-UHFFFAOYSA-N 435.977 2.759 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3[C@H]3ON=C(c4ccc(OC)cc4OC)[C@H]23)cc1 100204558 BIFZSCVBWDVLQM-CHRHFRJDSA-N 448.475 2.887 0 40 IFAB C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@H](C)[C@@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 104885017 MBEKJHUHBKSWHB-YXISZKLHSA-N 430.501 2.959 0 40 IFAB COC(=O)c1cc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)ccc1Cl 219438279 BIFJBYICQLIBBS-UHFFFAOYSA-N 436.873 2.690 0 40 IFAB COC(=O)c1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 224017687 QLLFFKFLRFMQLC-UHFFFAOYSA-N 446.525 2.838 0 40 IFAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224891239 DUZACZWCSHTRHP-UHFFFAOYSA-N 448.497 2.580 0 40 IFAB COC(=O)c1cc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc(C(=O)OC)c1 225232433 OPTPLTQGIJKDAJ-UHFFFAOYSA-N 442.541 2.606 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4scnc4C)CCO3)c2)cn1 257219522 DHBXQXUMAOMEHP-IBGZPJMESA-N 437.525 2.790 0 40 IFAB Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](N4CCC(F)(F)CC4)C3)cc2)n1 257227766 FQUIRIFDYBJGFO-VXKWHMMOSA-N 434.531 2.855 0 40 IFAB COc1ccccc1[C@H]1CN(CC(=O)Nc2ccc(C)c(NC(C)=O)c2)CCN1C(C)=O 257235314 GXHFWXQLJOCMCD-JOCHJYFZSA-N 438.528 2.806 0 40 IFAB O=C(NCCSc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 559437056 PAOVPCMCWVZVCQ-UHFFFAOYSA-N 449.935 2.672 0 40 IFAB CC(C)N1CC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](C=CCOc3ccccc3C1)C2 958317889 WSPCLCPLWMVQLQ-PMACEKPBSA-N 425.573 2.979 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2cccnc2Cl)c1 2651368 RGRSLAPGGFZNEH-UHFFFAOYSA-N 432.893 2.602 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)Oc1c(Br)cc(C=O)cc1OC 3250663 ZGSYNPXGOXVHDT-UHFFFAOYSA-N 429.244 2.825 0 40 IFAB C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4155992 XSNLHIWRTQZZSU-JRRBAZMTSA-N 434.286 2.595 0 40 IFAB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 5541893 HGAINBGRJFALTP-NMOFPLQQSA-N 440.492 2.998 0 40 IFAB O=c1c2sc3c(=O)n(Cc4ccccc4)c(=O)c3sc2c(=O)n1Cc1ccccc1 8763868 PYDRUJMNUPYFNM-UHFFFAOYSA-N 434.498 2.694 0 40 IFAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@H](C)O[C@@H](C)C2)s1 8912394 NXXZBCDIJZJWGE-KBPBESRZSA-N 444.600 2.692 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3ccccc3F)n2N)c1C 9594834 WBLZYMJWCMBSKT-UHFFFAOYSA-N 447.492 2.807 0 40 IFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 9594872 QJGLCVBYTDMXAH-JOCHJYFZSA-N 437.456 2.535 0 40 IFAB CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCCO2 9729117 ZCXUPPLXZULZJN-NRFANRHFSA-N 444.509 2.506 0 40 IFAB C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 9984636 AFOUBXMOIMMBTP-INIZCTEOSA-N 429.542 2.705 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@@H]1CCCO1 11613405 WIJDXMGDZVVGDX-CABCVRRESA-N 445.932 2.568 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3cccc(F)c3)CC1)NC2=O 12086532 HOMWIRYWIBSCBL-UPCLLVRISA-N 438.503 2.703 0 40 IFAB CCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2c(F)cccc2Cl)n(C)c1=O 12231815 WQEFOBMNAHJSMP-UHFFFAOYSA-N 430.871 2.560 0 40 IFAB COc1cccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(F)F 12506912 ZOFZPDZVWMXHTG-KRWDZBQOSA-N 431.399 2.904 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)cc1 12791666 UKJUJXMPKDITDM-UHFFFAOYSA-N 432.590 2.540 0 40 IFAB C[C@H]1CCc2c(sc3ncnc(N4CCN(CCNC(=O)c5ccco5)CC4)c23)C1 12813721 OAJGKTJOQPJLBL-HNNXBMFYSA-N 425.558 2.961 0 40 IFAB O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1cc(Cl)ccc1F 12887049 CTFSZYGUVVZIIA-UHFFFAOYSA-N 425.913 2.565 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)Cc1ccccc1F 15183033 HZTPKQXUZFNRIK-UHFFFAOYSA-N 437.265 2.737 0 40 IFAB CCC(C)(C)C1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 18213388 HVUZGJBJVWQLLX-UHFFFAOYSA-N 437.606 2.895 0 40 IFAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CCC[C@H](C2)N3Cc2cc3c(cc2Cl)OCO3)n1 19131304 XRQOICBWKPZPHS-AQKKSAQBSA-N 431.920 2.882 0 40 IFAB NC(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)CCCc2ccccc2)CCO1 19702816 HPXHREIBLHYDPG-QGZVFWFLSA-N 445.566 2.731 0 40 IFAB COc1ccc2c(c1)C=C(C(=O)N1CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CO2 19757834 PWGDUUGMEIAYFT-KRWDZBQOSA-N 448.523 2.822 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)ccc21 22680786 HXVXHWHCLZXELO-LJQANCHMSA-N 440.569 2.974 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCN(CCOc3ccccc3)CC2)nn1-c1ccccc1F 23804907 YLHVQROYUKOGBD-UHFFFAOYSA-N 436.487 2.517 0 40 IFAB Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)Nc3ccccc3Cl)CC2)c1 24336063 HFEKLNVOTBIWMH-UHFFFAOYSA-N 428.964 2.863 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)CCCn3cnc4ccccc4c3=O)sc2c1 24689180 IQQXQPUFBZANPV-UHFFFAOYSA-N 442.522 2.829 0 40 IFAB Cc1cc2oc(=O)cc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)c2cc1Cl 25099106 JBWWWZADYRSEPN-UHFFFAOYSA-N 434.901 2.749 0 40 IFAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1 29264478 UAGULIKBPGDFPL-UHFFFAOYSA-N 429.542 2.667 0 40 IFAB COc1ccc([C@@H]2CCCN2CC(=O)NCC2(N3CCOCC3)CCCCC2)c(OC)c1 32751538 LBTXISGRIIOHPD-QFIPXVFZSA-N 445.604 2.992 0 40 IFAB COc1cc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc2c1OCCO2 32819055 OUJLOYXNQZXKFM-BDUNBXCCSA-N 430.526 2.731 0 40 IFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC(C)C)C1 40121295 BACVVMRGDHHJHW-AZUAARDMSA-N 429.561 2.701 0 40 IFAB COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 40152710 ASZIXOMBHPJYBW-ZFWWWQNUSA-N 431.518 2.697 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)nn2)cc1C 49406342 SFDGEPXEFGGWHW-UHFFFAOYSA-N 446.555 2.985 0 40 IFAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccccc3)c2=O)cc1 51319566 CARWCTVBDAOKPJ-UHFFFAOYSA-N 435.505 2.598 0 40 IFAB CCc1cc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c(-c2cccc(F)c2)n1 57508290 HTWWVPROKWOQMW-UHFFFAOYSA-N 425.460 2.945 0 40 IFAB Cn1cc(C(=O)NC2CCN(Cc3nc4sc(-c5ccccc5)cc4c(=O)[nH]3)CC2)cn1 57991000 IWDQCTBOXCVQSK-UHFFFAOYSA-N 448.552 2.780 0 40 IFAB COc1cc(C(=O)O)c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1OC(F)F 58999953 JGPOPNBCRGIOKO-UHFFFAOYSA-N 445.396 2.957 0 40 IFAB O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)NCCc1ccc(Cl)cc1 64945724 PSBLOFATLWTXPG-UHFFFAOYSA-N 441.944 2.997 0 40 IFAB COc1ccc2cc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)[nH]c2c1 72338808 KMKBYFQZRJBBED-OAQYLSRUSA-N 440.525 2.759 0 40 IFAB COC(=O)c1nc(NC(=O)COc2coc(C)cc2=O)sc1-c1ccccc1OC 72403929 HOBBBKQHHRRVKE-UHFFFAOYSA-N 430.438 2.884 0 40 IFAB COc1ccc(CN2C[C@@H](C(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 79024933 KYVLJVZEZRNCPW-APWZRJJASA-N 434.496 2.895 0 40 IFAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C(N)=O)c4)nc3)CC2=O)cc1 79481485 PFLYHAMVMOROLT-MRXNPFEDSA-N 446.463 2.973 0 40 IFAB O=C(NCc1cc(Br)c2c(c1)OCO2)[C@@H]1CCCN1C(=O)c1ccccc1O 84497958 PDGAOZAEBFGHQP-HNNXBMFYSA-N 447.285 2.804 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 89920249 BXJPPZDPPCJCCF-QZTJIDSGSA-N 444.553 2.826 0 40 IFAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 95347486 KIECQJLJFISQRO-QGZVFWFLSA-N 428.341 2.526 0 40 IFAB Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNC(=O)CSc1nnnn1C 95482040 RIXRUILOPIXLOQ-UHFFFAOYSA-N 430.868 2.619 0 40 IFAB O=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 107288783 PXMTWSFGSHWZCO-PKOBYXMFSA-N 449.486 2.619 0 40 IFAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(C(=O)O)cc1OC 170559020 KLJUFZYYDHOOSP-ZDUSSCGKSA-N 428.441 2.711 0 40 IFAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)nc1 223129885 UWBMUORHGXIMDY-XZOQPEGZSA-N 448.596 2.880 0 40 IFAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225044579 PGMHTUPYNLUNMV-MRXNPFEDSA-N 437.591 2.723 0 40 IFAB S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 226014179 ZQBBAMKYVLDNGE-UHFFFAOYSA-N 440.573 2.935 0 40 IFAB COc1cccc(-c2cncc([C@@H]3CN(C(=O)CCc4c(C)nc(N)nc4C)CCO3)n2)c1 257298389 RLKQPFWQAQXXJR-QFIPXVFZSA-N 448.527 2.674 0 40 IFAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)CCCN2CCCCCC2)[C@H]1c1ccccc1 257322558 WGMGAGDZHYMGRY-FIXSFTCYSA-N 442.604 2.578 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2nnc(-c3ccccc3)s2)Oc2ccccc21 260769584 PNMVIGGLINDTME-MRXNPFEDSA-N 430.511 2.761 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCOC(C)C)C2)cc1C 408561694 VEMNOIDFSXOPFV-SFHVURJKSA-N 426.579 2.726 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 408667165 RTCWOLLRBNQZKJ-UHFFFAOYSA-N 438.436 2.702 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408669479 WERFHGLNPCVQLG-CESHALSISA-N 437.279 2.671 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 409066244 HPRMQCPYMLOJDR-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC[C@H](C)N1CCc2sccc2C1 524986017 TXOJFYJAIXFDEB-INIZCTEOSA-N 433.599 2.773 0 40 IFAB Cc1cc(O[C@H]2CCCN(C(=O)CN3CCN(c4ccccc4F)C3=O)C2)nc(C)n1 575608994 IARADBOWWCPPKH-KRWDZBQOSA-N 427.480 2.545 0 40 IFAB COc1c(C=O)c(CCN(C)C(=S)NCc2ccc3c(c2)OCO3)cc2c1OCO2 2107637 HUXMRWHIVMIILD-UHFFFAOYSA-N 430.482 2.514 0 40 IFAB biogenic CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCN(C)CC2)cc1 2252518 LZKAHSAPRMOXNJ-UHFFFAOYSA-N 427.530 2.581 0 40 IFAB Cc1cccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)c1C 2291797 AWCHYKAMRZPLCW-UHFFFAOYSA-N 444.539 2.835 0 40 IFAB COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)coc2c1 3609661 ZMZROKKWNKBBNP-UHFFFAOYSA-N 428.510 2.825 0 40 IFAB CCN(CC)CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 6779501 VMTGQMJACAWGNX-UHFFFAOYSA-N 427.501 2.562 0 40 IFAB O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NCCc1c[nH]c2ccccc12 9076820 JFEAECKPGRKQLH-UHFFFAOYSA-N 448.523 2.906 0 40 IFAB O=C1CN(C(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccccc2N1 9172879 DHIYDDVGMANASL-FMIVXFBMSA-N 437.477 2.757 0 40 IFAB CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)s1 9255544 KFSWEDUFYINUIH-QFIPXVFZSA-N 425.510 2.523 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CCn3nc(-c4cccs4)oc3=O)cc2)CC1 9379200 ICEWIIINANBSLB-UHFFFAOYSA-N 427.530 2.736 0 40 IFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9414269 FPBNGDGCPIBNQR-UHFFFAOYSA-N 440.525 2.600 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9601285 NWJJPILBNFLJGW-OAHLLOKOSA-N 436.917 2.786 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 9745018 OKBAYTQWLXAFRE-LJQANCHMSA-N 447.532 2.822 0 40 IFAB COc1ccc(Cl)cc1C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822405 YWVNDZFRYYCKES-UHFFFAOYSA-N 437.887 2.733 0 40 IFAB C[C@@H]1CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)CCO1 11495683 PHPPHGHZTXQJSW-CYBMUJFWSA-N 445.472 2.741 0 40 IFAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)[C@@H]4CC(=O)N(c5ccccc5F)C4)C[C@@H]32)Nc2ccccc21 12086090 FGGDMVHWBCZUAW-LEUODAHVSA-N 448.498 2.599 0 40 IFAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12771512 OTYKCKLWVIWIIV-SFHVURJKSA-N 438.528 2.521 0 40 IFAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 12802453 PFMFUTWPFBAVKU-OAQYLSRUSA-N 449.858 2.938 0 40 IFAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 12906349 JHEKICANSJBSBH-HUUCEWRRSA-N 431.514 2.695 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cc(Cl)ccc1Cl 12988490 HBQSILPFCFDFJL-UHFFFAOYSA-N 430.313 2.578 0 40 IFAB Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 13070891 DUZVMDRKRPGOIG-UHFFFAOYSA-N 442.459 2.926 0 40 IFAB Nc1nc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)n[nH]1 13117377 NDHNNLSDEGJTLR-UHFFFAOYSA-N 442.570 2.988 0 40 IFAB CC[C@@H](c1nnnn1Cc1ccco1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13496002 IMVJFZBYGJDZNJ-NRFANRHFSA-N 436.516 2.800 0 40 IFAB COc1ccc(OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 13519136 XVSGXUDDOOSODG-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCNC(C)=O)ccc1Cl 13778887 HHJCAWYRPRDZRR-UHFFFAOYSA-N 425.894 2.614 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)cc1 14167092 QOJUCBGVWNIPGE-OXQOHEQNSA-N 433.302 2.964 0 40 IFAB Cc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(F)cc4F)c(=O)n3c2)cc1 15829593 PWBUPZITVADKSC-UHFFFAOYSA-N 437.406 2.974 0 40 IFAB COc1ccc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1OC 17012252 HXXOMEWCZQLDMZ-UHFFFAOYSA-N 425.533 2.755 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1 19370656 BPKYFPRIAMRGNY-NRFANRHFSA-N 443.551 2.672 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cn2cncn2)C1 19449310 XYJLZUHZEOETNX-QHCPKHFHSA-N 437.569 2.993 0 40 IFAB Cc1ncsc1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)CC1 19562062 ODYREGANBDWSEI-UHFFFAOYSA-N 440.573 2.986 0 40 IFAB COCCN1CC=CCC2(CCN(CC(=O)N(Cc3ccccc3)C(C)C)CC2)C1=O 19742691 QEPJRFRIVWXJIC-UHFFFAOYSA-N 427.589 2.941 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1 19749411 HUCBLNLGFAVZIP-GOSISDBHSA-N 438.459 2.502 0 40 IFAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 19757026 ZAVZXCFYFZSBSX-UHFFFAOYSA-N 446.548 2.804 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 22227239 CUDQYBWHFKNKKV-UHFFFAOYSA-N 430.526 2.605 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1cc2ccccc2o1 23349182 NBUSLUMLQCVZHW-GFCCVEGCSA-N 425.470 2.739 0 40 IFAB CN(C)Cc1ccccc1CNC(=O)CCn1cnc2ccc(Br)cc2c1=O 23444827 DGYITOJIYWSLLV-UHFFFAOYSA-N 443.345 2.927 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(=O)OC)CC2)cc1 23652066 SRWYTSKMTRPERI-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB Cc1cc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)no1 25136637 VOFXHMHGFPXOBC-UHFFFAOYSA-N 431.558 2.921 0 40 IFAB Cc1c(CC(=O)N[C@H](CSCc2ccccc2)C(=O)O)c(=O)oc2cc(O)ccc12 26771586 JNKHFKXZZWKRHX-GOSISDBHSA-N 427.478 2.852 0 40 IFAB biogenic CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(OC)c(Cl)c2)n1 27743798 TYRQTNJDEINZAU-UHFFFAOYSA-N 434.699 2.947 0 40 IFAB CCOC(=O)c1sc(NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)nc1C 27913160 MRKJCVIWNUCOLD-UHFFFAOYSA-N 430.530 2.696 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NCc1cccs1 29852712 DOKYWDQPAJXTID-UHFFFAOYSA-N 448.397 2.678 0 40 IFAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Br 32096422 BSAHNQHZUKPYEM-LBPRGKRZSA-N 434.265 2.696 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092933 MFKHXFHMYVBDGS-GPMSIDNRSA-N 440.374 2.513 0 40 IFAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1cc(N2CCOCC2)ncn1 35598370 PPNQDFNKTLELHX-ZDUSSCGKSA-N 441.315 2.583 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC 38834993 BRCXYTUYOSBGMA-QGZVFWFLSA-N 440.905 2.913 0 40 IFAB COc1cc(-c2ccccc2)sc1C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@H](C)C1 40154283 UTTNCGVDGIVAMT-GASCZTMLSA-N 438.571 2.593 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=c2\sc3ncnn3c2=O)cc1 47154586 ITULAAYMYWGSGD-MFOYZWKCSA-N 426.885 2.678 0 40 IFAB Cc1ccc(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)nc1 57806621 HABWEKRKOJHFOE-ZDUSSCGKSA-N 434.529 2.776 0 40 IFAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 58169349 WYUILEBKTSVEIH-UHFFFAOYSA-N 437.562 2.504 0 40 IFAB O=C(Cc1ccccc1Cl)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 71005023 IZJMMVOGRKGPHM-UHFFFAOYSA-N 438.797 2.789 0 40 IFAB NC(=O)Cn1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c2ccccc21 72342668 DIWSJUUTFHUJJI-UHFFFAOYSA-N 442.567 2.997 0 40 IFAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(O)(CN2CCOCC2)CC1 95983426 LMBCUWQKTSFVEG-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(F)cc(F)c21 101042152 PNYMPTWXBMFYKC-UZYVYHOESA-N 426.466 2.772 0 40 IFAB COC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101172104 SICSYKJAIHVUAS-AEFFLSMTSA-N 427.844 2.564 0 40 IFAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@H]1C=C[C@H]2[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 217574154 ZKXHQSHCOVDPJB-BGSOWLKRSA-N 434.398 2.692 0 40 IFAB COc1ccc(CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1OC 222561444 UVCMFPTWZCUNBJ-UHFFFAOYSA-N 432.542 2.996 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 224056615 LIIVMXUMLZQQPE-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccccn3)CC2)Oc2ccccc21 253616711 ODFKUDMPIVWDHG-LEEZHDJYSA-N 446.551 2.681 0 40 IFAB O=C(NC[C@]1(O)CCCN(c2ccc(F)cn2)C1)c1ccc2nc(C(F)(F)F)[nH]c2c1 257271423 MYGWHLSOJUHFIY-LJQANCHMSA-N 437.397 2.877 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)n1 257319828 VUFGCCZSGKXHCO-OAQYLSRUSA-N 438.915 2.791 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 260805381 BZFOWUFVBAGHIG-KRWDZBQOSA-N 427.636 2.800 0 40 IFAB Cc1ccc(C)c(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)c1 260907947 UUDQLGFEOIFLGE-SFHVURJKSA-N 432.542 2.806 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 408704043 IXXJBLNPLLWKLE-UHFFFAOYSA-N 448.497 2.695 0 40 IFAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 408705436 FSZLHVREPVFEQM-FQEVSTJZSA-N 434.514 2.512 0 40 IFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 585147300 QTUFOCMOFGCKNT-IBGZPJMESA-N 444.557 2.562 0 40 IFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccccc2Br)nn1 1888888284 RXBHDCPWBGPYKZ-YIONKMFJSA-N 441.351 2.744 0 40 IFAB CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)o1 922232 SRUKMUJLVIXXIN-UHFFFAOYSA-N 426.564 2.728 0 40 IFAB Cc1ccc2nc(NC(=O)COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1 3258566 VEHLPGVJBHCVFD-UHFFFAOYSA-N 433.511 2.651 0 40 IFAB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1OC 3627113 LOBAHERHRVIINR-GOSISDBHSA-N 441.337 2.588 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)nc(OC)n1 4244485 HYSXZTRXIFIRAU-UHFFFAOYSA-N 444.469 2.556 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCCC1=CCCCC1)C2=O 7979971 XHWWMNLYZKUNMH-MWTRTKDXSA-N 433.549 2.673 0 40 IFAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 8791993 CXXSLXBWZJJKJP-GUYCJALGSA-N 427.888 2.762 0 40 IFAB biogenic COc1cccc(NC(=O)Cc2nnc(SCC(=O)N3CCc4ccccc43)n2C)c1 9263469 WNRDUSXCACCGFQ-UHFFFAOYSA-N 437.525 2.686 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2c1 9341253 FCWSJWNUMDENRG-GOSISDBHSA-N 441.553 2.936 0 40 IFAB Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCN1c1ccc(Cl)cc1 9406694 JMPOMWKMIDDKNE-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB COc1ccc(Cn2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 9533259 UWDOFSMIBPFBAS-AWEZNQCLSA-N 438.513 2.586 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1C 9544417 TTWKTEXIEKMJMM-KRWDZBQOSA-N 436.468 2.635 0 40 IFAB COc1cc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc(OC)c1 9608600 SSSKHLKRZCNTMH-UHFFFAOYSA-N 432.278 2.941 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 9633136 MCNFVSYGVYXPGZ-ONNFQVAWSA-N 444.509 2.571 0 40 IFAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 9962366 HDMBQXYIQLKLKW-CQSZACIVSA-N 447.513 2.516 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 10678667 FZQPVOFJYGDDRJ-UHFFFAOYSA-N 429.372 2.784 0 40 IFAB O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)C1CCCCC1 12115086 NTNOXAGJVIVHML-UHFFFAOYSA-N 449.617 2.620 0 40 IFAB CC(C)OCCCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232965 QJKMXQBTJYEHPE-INIZCTEOSA-N 427.530 2.550 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@@H](O)c3ccccc3)cc2)cc1 12407982 KSVDHVREGUNXND-JOCHJYFZSA-N 440.521 2.637 0 40 IFAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cc1S(N)(=O)=O 12561554 GQHNBWCPIAGABN-UHFFFAOYSA-N 430.574 2.703 0 40 IFAB CCn1c(SCC(=O)OCC(=O)NC(=O)c2ccccc2)nnc1-c1cccs1 12686335 AQOVSQQAPUHGSF-UHFFFAOYSA-N 430.511 2.618 0 40 IFAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12805642 OXUQERJAPSVXRV-UHFFFAOYSA-N 436.559 2.859 0 40 IFAB CN(C)S(=O)(=O)c1cccc(COC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12866032 ZSUJUWJIAXIDTJ-UHFFFAOYSA-N 448.585 2.703 0 40 IFAB CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 12867611 AZINHPPSOGHBMO-UHFFFAOYSA-N 427.570 2.535 0 40 IFAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)cc2c1C 12886444 FCMHRCLKCWPVGK-UHFFFAOYSA-N 427.526 2.736 0 40 IFAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCO2 13501861 IRZAJHXTRVXUHY-UHFFFAOYSA-N 446.529 2.929 0 40 IFAB O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 14188596 IUKLYFYYOXRSCV-UHFFFAOYSA-N 429.904 2.533 0 40 IFAB O=C(c1cccc(OC(F)F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14229327 NKBCWXBOXLFCTM-UHFFFAOYSA-N 436.480 2.923 0 40 IFAB Cc1ccc(N(Cc2nnc(SCC(=O)Nc3ccccc3)n2C)S(C)(=O)=O)cc1 15019656 ICUDMYFQMKCQQA-UHFFFAOYSA-N 445.570 2.821 0 40 IFAB Cc1cn([C@H]2C[C@@H](OC(=O)c3ccccc3)[C@@H](COC(=O)c3ccccc3)O2)c(=O)nc1N 15107665 NCTJUBXGPJXNME-VAMGGRTRSA-N 449.463 2.504 0 40 IFAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC 15440177 ZTFJDFUXTUTIDR-UHFFFAOYSA-N 438.571 2.825 0 40 IFAB O=C1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)CN1Cc1ccccc1 16695080 VAIHPKLHKIFVHI-SFHVURJKSA-N 425.916 2.673 0 40 IFAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCCN1CCO[C@H](c2ccccc2)C1 16955254 IESDGGQPGQPUES-FQEVSTJZSA-N 431.920 2.867 0 40 IFAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1=O 19344135 WJLPFPLJIWXNQP-UHFFFAOYSA-N 445.932 2.683 0 40 IFAB COc1ccc(CCC(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19692773 KBXHJHRYUIRVKV-NRFANRHFSA-N 448.527 2.541 0 40 IFAB Cc1nn2c([C@@H]3CCN(C(=O)COc4ccccc4)C3)ccnc2c1Cn1ccnc1C 19707970 PSYWNTLKHHODQU-LJQANCHMSA-N 430.512 2.986 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCCCCC3)CC2)cc1 20037358 UZRLMHLLDLBXBT-UHFFFAOYSA-N 435.634 2.919 0 40 IFAB CCN(Cc1ccccc1)[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1CCOC 20083770 FGNFPNMACDNWRA-QFIPXVFZSA-N 448.527 2.781 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2C[C@@H]1C 20449203 RDRKPOHPPLPRFL-INIZCTEOSA-N 431.533 2.889 0 40 IFAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 22780921 DGHMBXABBHDLBQ-VWLOTQADSA-N 446.551 2.568 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(Cc3ccco3)CC2)cc1I 22932007 BKFORAAYPOQMPC-UHFFFAOYSA-N 439.297 2.949 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 22960659 NOYCZNASKSACOK-GASCZTMLSA-N 431.514 2.695 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 30872597 KEPFYSSPRFOJRY-UHFFFAOYSA-N 445.541 2.757 0 40 IFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(OC)c1 36448931 BZWCOEQXLXJBDW-UHFFFAOYSA-N 425.529 2.646 0 40 IFAB COc1ccc(C(=O)Nn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 40391040 HMPADKBRDWLMAA-UHFFFAOYSA-N 426.436 2.807 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1cccs1 57416046 UBSZEGGYLIFLGX-HXUWFJFHSA-N 426.542 2.660 0 40 IFAB COc1ccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)cc1OC 57506563 RIQDTOQVEUTUDS-UHFFFAOYSA-N 434.496 2.770 0 40 IFAB CCOc1cc([C@@H]2NC(=O)NC(CN3CCc4ccccc4C3)=C2C(=O)OC)ccc1O 67285622 YVEJJLMTUCLNEH-QFIPXVFZSA-N 437.496 2.630 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70924010 SNQGOKREYYUJRK-UHFFFAOYSA-N 435.527 2.871 0 40 IFAB Cc1ccc(NC(=O)CN2CCCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 72308621 CBXLRXQLBLUIFI-UHFFFAOYSA-N 443.569 2.797 0 40 IFAB Cc1nc(C2CCN(C(=O)CN(C)C)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 72371158 WUPRJUAFLAWTPR-UHFFFAOYSA-N 439.535 2.671 0 40 IFAB CCN1CCN(c2ccc(C(=O)NCc3n[nH]c(-c4ccc(OC)cc4)n3)cc2F)CC1 78440317 NMWJXUOWRCIQAM-UHFFFAOYSA-N 438.507 2.691 0 40 IFAB CC1(C)CN=C(N2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)CC2)S1 78969367 LTENUPKXHGWQHC-AWEZNQCLSA-N 429.359 2.614 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)O[C@@H](C(=O)N1CCCCC1)Cn1ccnc12 96144791 KMTHDJAZWSMXPM-LJQANCHMSA-N 441.507 2.957 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 100278956 QJUQTUHYQBIKIC-GMLHRNBNSA-N 443.455 2.864 0 40 IFAB CCOc1cc(/C=c2/s/c(=C\C(=O)c3ccc(OC)cc3)[nH]c2=O)cc(Cl)c1OC 105630614 KPVMVCUCECITHT-ZZUVKVOASA-N 445.924 2.998 0 40 IFAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220197074 WSOUDZMLQPFWRC-LBPRGKRZSA-N 444.431 2.905 0 40 IFAB CCOc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 222603508 ZGWRHANILLLADT-UHFFFAOYSA-N 446.525 2.658 0 40 IFAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223493128 AAEPWMPNYQHXKZ-NRFANRHFSA-N 435.524 2.659 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)COc3ccccc3)s2)c1 224115675 SICFXMFFXARZFA-AWEZNQCLSA-N 432.527 2.845 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 224342805 JCCWASARYNWAHJ-UHFFFAOYSA-N 437.537 2.586 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224642685 HKDKEOHFTKIJIW-LJQANCHMSA-N 445.585 2.705 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 224875211 JGHJLYQGHDFVON-UHFFFAOYSA-N 435.399 2.976 0 40 IFAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 224987995 CIULBJCDXGAZAS-UHFFFAOYSA-N 437.949 2.890 0 40 IFAB CCOc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 408608520 NWHWDKMOVOVRKO-UHFFFAOYSA-N 445.585 2.817 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409379756 ZEFSQEALQOBNCM-INIZCTEOSA-N 446.525 2.830 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1C 409410545 NUZWQKWAGGQBKL-SFHVURJKSA-N 433.549 2.946 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 502611853 DYWYXMAACVLKQW-UONOGXRCSA-N 445.928 2.629 0 40 IFAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575422070 LXLJJWNVODMNTP-FQEVSTJZSA-N 438.615 2.750 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(-c2cccs2)no1 604419718 WTUNEIHNMYCHPI-SDYXESRWSA-N 438.509 2.957 0 40 IFAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)CC(C)C)C[C@@H]1CO2 1772594713 UGUZQGXSMQZLGB-GOSISDBHSA-N 426.517 2.848 0 40 IFAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccc4ccccc4c3)c2n1 8947306 ZPQVXSZAXKBBNV-UHFFFAOYSA-N 448.552 2.968 0 40 IFAB O=S(=O)(c1ccc(Sc2nnc(NCc3ccccc3)s2)nc1)N1CCOCC1 9207967 KKQZLJGNWSPVRJ-UHFFFAOYSA-N 449.583 2.717 0 40 IFAB COc1cc(NC(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)c(OC)cc1Cl 9655848 FWJLCJFMBARTNH-UHFFFAOYSA-N 427.862 2.556 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9742930 PGFAFIUASPOXDJ-LJQANCHMSA-N 429.542 2.683 0 40 IFAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCCC1=CCCCC1)CS(=O)(=O)C2 10250581 QWVVNVQZUGGZBN-UHFFFAOYSA-N 442.541 2.554 0 40 IFAB Cc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 10719990 UBEXDRJJLYWNDW-HNNXBMFYSA-N 440.481 2.770 0 40 IFAB O=C(c1cccs1)N1CCC(c2nc(N3CCOCC3)ncc2-c2cnccn2)CC1 12155028 GIORCSYISZQXSF-UHFFFAOYSA-N 436.541 2.852 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2)n1 12782898 LFGZVWDUDYKXQN-HSZRJFAPSA-N 446.507 2.614 0 40 IFAB CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2)C(C)C)CC1 12872388 XPTXDFFAELYJMH-PMACEKPBSA-N 434.556 2.517 0 40 IFAB biogenic NC(=O)c1ccc(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 13042229 UTEMSQQAINBDRH-UHFFFAOYSA-N 441.841 2.613 0 40 IFAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 13149170 XWMDWJMCWDQWOJ-UHFFFAOYSA-N 435.480 2.967 0 40 IFAB COc1ccc([C@H](CNC(=O)CN2CCC(C(N)=O)CC2)c2c[nH]c3ccccc23)cc1 13164346 RQMUTTJICFBECV-NRFANRHFSA-N 434.540 2.622 0 40 IFAB NC(=O)C1CCN(C(=O)CSc2nc(C3CC3)nc3c2cnn3-c2ccccc2)CC1 13561685 SIRYYSKRDJXXKN-UHFFFAOYSA-N 436.541 2.509 0 40 IFAB O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 15609650 GUSBWAQHPGSFGT-UHFFFAOYSA-N 441.553 2.962 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 15882175 PPENUNNBMXIISL-UHFFFAOYSA-N 438.509 2.984 0 40 IFAB O=S(=O)(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 16049919 RSSFWYILWBCOAA-UHFFFAOYSA-N 435.354 2.689 0 40 IFAB Cc1ccc(CN(C)C(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 16428781 HRGATRWQCGXXBE-UHFFFAOYSA-N 447.576 2.798 0 40 IFAB COc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 16516653 SEZQBMQKTCUROS-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB CCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F 16588533 PRZQISFLMIIVOL-UHFFFAOYSA-N 436.434 2.992 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)N1CCCc2ccccc21 17200538 XAERDYRFYQJCEU-UHFFFAOYSA-N 444.466 2.725 0 40 IFAB c1csc(-c2nc(N3CCN4CCC[C@H]4C3)ncc2-c2ccnc(N3CCOCC3)n2)c1 19343940 WSNCAAHOMQIZCO-KRWDZBQOSA-N 449.584 2.783 0 40 IFAB CCCc1cc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)no1 19694707 FBMDEKDUYLYFDP-QGZVFWFLSA-N 448.527 2.879 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3c(C)nc4c(C)cccn34)cc2)[C@@H](C(N)=O)C1 19698766 VSEQJYKLXFJDHD-YADHBBJMSA-N 433.556 2.630 0 40 IFAB COc1ccccc1C(=O)N1CCC[C@@H](c2nc(CN(C)C(C)=O)cc(N(C)C)n2)C1 19709625 WMPHHYCDHMXCRB-QGZVFWFLSA-N 425.533 2.549 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2Cc1cccc(F)c1 19743708 QCOHVPTZKNNCQJ-KRWDZBQOSA-N 448.502 2.767 0 40 IFAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(S(=O)(=O)C3CCCC3)CC2)n1 19756314 BIUWNVCZKPUJLQ-UHFFFAOYSA-N 444.601 2.877 0 40 IFAB Cn1nccc1C(=O)N1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759665 KMTDUGOTBDYCEU-IBGZPJMESA-N 448.508 2.891 0 40 IFAB CCCCn1c(N)c(N(C)C(=O)Cc2csc(-c3ccc(C)cc3)n2)c(=O)[nH]c1=O 20004831 MSZCOOCVCYVIFG-UHFFFAOYSA-N 427.530 2.556 0 40 IFAB C[C@H]1Oc2ccccc2N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 22283867 KYDGJBXCIQKVRZ-OAHLLOKOSA-N 448.445 2.953 0 40 IFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2CN2CCN(Cc3ccccc3)CC2)C1 22789099 MOVOUNAHPYLWFD-NRFANRHFSA-N 438.597 2.789 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22932685 VOPDEDZYKIRZLZ-FUHWJXTLSA-N 440.510 2.956 0 40 IFAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCCC3)cn1C)O[C@H](C)C2 26887524 BNGVXWHBXRYZKH-CQSZACIVSA-N 433.530 2.784 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@H]1CCOc2ccccc21 28665821 PETXRNWBCCPLHR-INIZCTEOSA-N 444.431 2.894 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2Nc2ccccc2F)NC(=O)N[C@@H]1C 32910694 OHJQWHLDIDQPRU-GFCCVEGCSA-N 428.420 2.640 0 40 IFAB COc1ccc([C@H]2C[C@H](c3ccccc3)N=C3N=C(NC(=O)CCCC(=O)O)NN32)cc1 38198252 YIXCZMTVSHQVTK-RTBURBONSA-N 435.484 2.785 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cn1)c1cn(-c2cccc(Br)c2)nn1 40086654 UZQFKVOLGYBXNB-UHFFFAOYSA-N 429.278 2.514 0 40 IFAB Cc1cc(S(=O)(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c(Cl)cc1Cl 49482774 QQZGQHOPRJMADJ-UHFFFAOYSA-N 426.285 2.930 0 40 IFAB O=C(NCc1cc(Br)ccc1F)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 58283376 AOHLRMDZDKLNFX-RDJZCZTQSA-N 439.256 2.619 0 40 IFAB COc1ccc(C2(C(=O)N3CCC[C@@H]3Cn3nnc4c(O)nc(C)nc43)CCCC2)cc1 72324967 TZYYBNJRKOCVMW-QGZVFWFLSA-N 436.516 2.747 0 40 IFAB O=C(Nc1cc(N2CCOCC2)ncn1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 77100882 FALBUNHGUVAGSB-IBGZPJMESA-N 445.527 2.625 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)C(=O)c1cccc(F)c1 96518564 KOCKOCOPWILBDM-JTQLQIEISA-N 435.052 2.927 0 40 IFAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3ccc(Br)cc3)[C@H]2C1=O 97020866 SJBCFKTVGHHJJO-SJLPKXTDSA-N 442.269 2.781 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@@H]6C=C[C@H]5C6)CC4)nn3c(O)c2C1 100243093 GMLORYHJPHUEKP-BPQIPLTHSA-N 449.555 2.648 0 40 IFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC 206798680 FNRWTJXBJSOULF-MJGOQNOKSA-N 431.460 2.997 0 40 IFAB COC[C@@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218185975 MXNGOLUEEXBSTG-ZIFCJYIRSA-N 439.942 2.927 0 40 IFAB CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O 220503796 IATZOMZEQMREIR-QFIPXVFZSA-N 429.586 2.884 0 40 IFAB CC[C@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220721944 FUAQYIAQZGJHHX-MRXNPFEDSA-N 430.954 2.605 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223651545 WFWAMBUIQPMQBW-LJQANCHMSA-N 445.585 2.623 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(F)cc1F 224629429 AULLTKJBBBRBJS-UHFFFAOYSA-N 437.512 2.643 0 40 IFAB CCSc1nnc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)s1 225465379 MNKNEZKQZUSQIY-NSHDSACASA-N 430.577 2.760 0 40 IFAB COc1ccccc1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225537628 GKEJQCARMKQSGC-GOSISDBHSA-N 434.533 2.984 0 40 IFAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)c(OC)c1 225563711 OVZIZZODLGMPKU-IBGZPJMESA-N 448.541 2.606 0 40 IFAB COCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 257235557 GYIMDRXMYLXQIO-GOSISDBHSA-N 427.423 2.607 0 40 IFAB Cc1cc(S(=O)(=O)N2CC[C@H](c3cc(C(=O)Nc4nccs4)[nH]n3)C2)ccc1F 257344949 ZZIMHEGMFWMWSC-LBPRGKRZSA-N 435.506 2.744 0 40 IFAB O=C1C[C@@H]2N(S(=O)(=O)C3CC3)CC[C@]2(c2ccccc2)CCN1Cc1ccccn1 306142692 XGMWNDZGDIXPEJ-GMAHTHKFSA-N 425.554 2.709 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408601411 AUBFMJJRFLUTAB-LBPRGKRZSA-N 440.905 2.831 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C)c2C)c(Cl)c1 408637312 ZYMHFOHKDJUYPZ-UHFFFAOYSA-N 426.922 2.899 0 40 IFAB O=CN(CCc1c[nH]c2ccccc12)C1(C(=O)NCCCn2ccnc2)CCSCC1 575443862 ODFPXSDBIFIHBF-UHFFFAOYSA-N 439.585 2.838 0 40 IFAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(C(=O)NC[C@@H](O)CO)ccc21 643576319 WIWYOVBBCAUQQV-HSZRJFAPSA-N 447.620 2.935 0 40 IFAB O=C(Cn1c(S)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1)NCc1ccc(F)cc1 1889264629 IFRYFDBZIOZOFB-KRWDZBQOSA-N 439.516 2.538 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O 2659665 WWWKHOYACGNXCE-JOCHJYFZSA-N 440.525 2.522 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 8887279 MQEVDKHHXFBVLY-VWLOTQADSA-N 444.491 2.947 0 40 IFAB O=C1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(F)cc1 9036322 MXZZCVAGBDTRQI-LBPRGKRZSA-N 427.295 2.920 0 40 IFAB COc1cccc(-n2nnnc2SCC(=O)NCCc2c[nH]c3cc(OC)ccc23)c1 9059169 HQEPEYDSDABYJM-UHFFFAOYSA-N 438.513 2.612 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCSc3ccccc32)cc1 9222098 NCOUDPLLVQUVSQ-GOSISDBHSA-N 433.555 2.619 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 9613799 GSASRNUJZUAXRQ-QHCPKHFHSA-N 436.468 2.607 0 40 IFAB CCc1cccc2c(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)c[nH]c12 9789034 HCJVIMMNGGGPTN-ZDUSSCGKSA-N 432.571 2.811 0 40 IFAB COc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 10102746 IPZSERBYMTUNRN-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O 12086536 WXUPZCULPWAEGB-UPCLLVRISA-N 438.503 2.703 0 40 IFAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130176 HPYVXHDRBQOIKV-LSDHHAIUSA-N 446.360 2.737 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 12761187 TXXHVVHAMIAVJM-UHFFFAOYSA-N 426.517 2.847 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12772600 HVGUTRZSAYWDSM-IBGZPJMESA-N 430.526 2.527 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 13062722 LSTBNTQNWZZOEF-GOSISDBHSA-N 434.540 2.669 0 40 IFAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)CC1 13117018 OAQIWPOYBMHGPI-LJQANCHMSA-N 442.633 2.898 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1 13865588 JLXJZVIFHCHJSG-LSCADSNKSA-N 440.477 2.688 0 40 IFAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2cccc3ccccc23)n1N 14557710 JINURWRFDTUWIK-AWEZNQCLSA-N 426.546 2.698 0 40 IFAB CCc1cc(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)on1 19692713 LPJBJOLSBQDEQV-FQEVSTJZSA-N 437.500 2.982 0 40 IFAB Cc1ncc(C(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c(C)n1 19692729 UZRKVRMICMWAKH-HXUWFJFHSA-N 436.491 2.969 0 40 IFAB CCCn1cc(S(=O)(=O)N2CC[C@H](c3c(C(=O)NC)sc4ncccc34)C2)c(C)n1 19702440 IXINDQJLGKIMJB-AWEZNQCLSA-N 447.586 2.749 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ncc1C(=O)N1CCOCC1 19764143 RRFAHJDNFAMDLM-GOSISDBHSA-N 445.523 2.825 0 40 IFAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1OC 20726758 XOSFXHLAEQFENH-MRXNPFEDSA-N 426.469 2.505 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc(C)c1 20801579 VDVSVDWZNRJAPU-SFTDATJTSA-N 438.503 2.663 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22932683 VOPDEDZYKIRZLZ-SJLPKXTDSA-N 440.510 2.956 0 40 IFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 23078587 BQPONQOFTKTVRG-MAUKXSAKSA-N 429.464 2.935 0 40 IFAB CCn1c(CN2C(=O)CC3(CCCCC3)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 31760299 XGSGITOSQAAJFI-UHFFFAOYSA-N 432.546 2.516 0 40 IFAB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(NC(=O)CCn2ccnc2)c1 32935148 OGMZBOPGLAKDOM-UHFFFAOYSA-N 433.468 2.666 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)sc2c1CCCC2 34802311 AYNGNTYWMNXGOX-UHFFFAOYSA-N 429.542 2.880 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38835163 KNROOJQXAHUUNS-IBGZPJMESA-N 446.525 2.936 0 40 IFAB CC(C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945427 GYXUMHVXVQUPBG-HXUWFJFHSA-N 430.524 2.561 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 57490158 MTCHKWIZDHFTGI-UHFFFAOYSA-N 435.505 2.847 0 40 IFAB CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4ccncc4)no3)C2)s1 62022926 PJXQPJQAEJJHTN-CYBMUJFWSA-N 431.547 2.946 0 40 IFAB CCOc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 72309759 XYQULCLABSYXLU-CALCHBBNSA-N 429.521 2.582 0 40 IFAB Cc1nc2nc([C@H]3CCCN(C(=O)c4cccnc4N)C3)cc(C(F)(F)F)c2c(=O)[nH]1 72350874 ULIYAFATADCYPI-NSHDSACASA-N 432.406 2.642 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 72391099 CBSACROKCPYTRP-UHFFFAOYSA-N 430.526 2.786 0 40 IFAB CCCC(=O)N1CCc2nc(C3CCN(Cc4ccc5nccnc5c4)CC3)[nH]c(=O)c2C1 72398748 JJSDNJWLTCRBLM-UHFFFAOYSA-N 446.555 2.778 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1nnc(SCc2ccccc2)s1 95482164 PAGLBFIOZAGGPN-UHFFFAOYSA-N 446.535 2.614 0 40 IFAB O=[N+]([O-])c1c(I)n(S(=O)(=O)c2ccccc2)c2ccncc12 95845557 SPUONAAEOUHWGV-UHFFFAOYSA-N 429.195 2.786 0 40 IFAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O 96144348 ZTZNEBWMFZVUQX-OAQYLSRUSA-N 439.647 2.729 0 40 IFAB Cc1cc(C)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1 96855719 DYGVDHRXVFPECW-GZTJUZNOSA-N 443.550 2.947 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)[C@@H](C)Cn4nc(C)nc4C)C3)nn2c1O 100138469 DJSXKFAOWUNPOF-SUMWQHHRSA-N 425.537 2.556 0 40 IFAB Cc1cc(C)cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC3CCCCC3)[C@@H]4C2=O)c1 100435237 XICHVSHOOMAYPQ-IIOACPQZSA-N 438.524 2.582 0 40 IFAB COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@H]2O4)cc1 100788230 CJOSQSGPEHYFBB-CTVDGRRTSA-N 433.464 2.579 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(C)ccc4C)[C@H]3C2=O)cc1Cl 101168861 RODLKIMCNVZDPM-RBUKOAKNSA-N 441.875 2.897 0 40 IFAB CSc1cccc(N(CC(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)c1 220076244 OVQWZTQMCNBCMS-UHFFFAOYSA-N 446.554 2.849 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSC2CCCCC2)cc1OC 222814380 KQWJSZYHMAMUAE-UHFFFAOYSA-N 430.592 2.506 0 40 IFAB CSc1nnc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)s1 223144784 DFBZFZQQDMYGRW-UHFFFAOYSA-N 427.360 2.972 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 223715226 WSQGFRYTVIENCX-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 224099308 FVOXQBKOIOVKFI-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1cccc(OC)c1)S(C)(=O)=O 225061484 ZWXQKEPKHCOXOS-MRXNPFEDSA-N 449.554 2.792 0 40 IFAB CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515991 PDXCEXPRYLTROM-NLWGTHIKSA-N 437.901 2.517 0 40 IFAB CN(C)S(=O)(=O)N1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 257278513 OCOBNURODFDXTC-UHFFFAOYSA-N 434.537 2.924 0 40 IFAB CCn1ccc(NC(=O)[C@H]2CN(C(=O)c3nc(C)sc3-c3ccccc3)CCN2C)n1 257320394 VWPQYAKLUONKMQ-QGZVFWFLSA-N 438.557 2.730 0 40 IFAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c1 408534403 SGDFHOCFEIQWOT-UHFFFAOYSA-N 434.514 2.814 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 408665440 RQGMJUTVVKDBHR-KHDMTIDOSA-N 426.513 2.841 0 40 IFAB COC(=O)c1cc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(Br)cc1F 610327133 DMQZOXMWEAEDAF-NUPCCRGMSA-N 428.258 2.506 0 40 IFAB CCOC(=O)c1[nH]cnc1C(=O)N1CCO[C@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037835866 DOQMELZYKWJFQA-AWEZNQCLSA-N 442.501 2.704 0 40 IFAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(C[C@@H]1CCCO1)C3=O 2440036 CZFMXNQNNJKXRZ-HTAPYJJXSA-N 448.475 2.690 0 40 IFAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3297036 MSXPYNVGMKZSMF-FQEVSTJZSA-N 428.441 2.848 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O 3479959 ABBWKBNPWNGZBH-NSHDSACASA-N 436.342 2.752 0 40 IFAB CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cnccn2)C1 4237221 OPPWWDBRBOWHGK-PKOBYXMFSA-N 429.524 2.626 0 40 IFAB biogenic,in-vitro CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 4373737 YNYNFYUQBFGBCL-JSXRDJHFSA-N 426.469 2.902 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCOC)cc2c1 6196656 DQKCUUWQSCJHLL-IBGZPJMESA-N 433.574 2.819 0 40 IFAB COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C 6444378 HIAUGOYXJCXGMB-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB CCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1 8828641 CIDWMBFGIDEDKO-UHFFFAOYSA-N 435.370 2.975 0 40 IFAB O=C(NCc1ccccn1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 9061284 PZFATHDPBKJXOJ-OEMYIYORSA-N 429.398 2.703 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 9262362 AOLOWTJONONKTD-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB COc1ccc([C@@H]2CCCCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 9314479 XDZVWWCNHUCIEU-IBGZPJMESA-N 428.533 2.898 0 40 IFAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 9631159 VODMWVRHJYXKRF-ABPVARSCSA-N 433.961 2.967 0 40 IFAB O=C(NCc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 9740130 CWAYERZDWBVUHC-UHFFFAOYSA-N 447.582 2.592 0 40 IFAB O=C(c1ccco1)N1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 9743176 DTMRENRFRLFUKQ-UHFFFAOYSA-N 442.475 2.636 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)c2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1 9797226 ZIFGQQKMOUMCRA-UHFFFAOYSA-N 434.427 2.746 0 40 IFAB CCOCCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)c(C)n23)n(C)c1=O 9829503 HHOFCNJSYYBJDK-UHFFFAOYSA-N 429.908 2.754 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc2c(s1)CCCC2 9992430 IQPCIFCTHHHFKH-UHFFFAOYSA-N 426.585 2.639 0 40 IFAB CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 10249703 YYQMYDSLNXIHLH-UHFFFAOYSA-N 447.495 2.877 0 40 IFAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(OC)cc3OC)c2=O)cc1 10272597 QZXHHZMUMZSPPS-UHFFFAOYSA-N 427.482 2.989 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029816 VTRCMOCJHOOMBP-INIZCTEOSA-N 447.456 2.919 0 40 IFAB O=C1N[C@@]2(COC3(CCN(C(=O)C4=Cc5ccccc5OC4)CC3)C2)Nc2ccccc21 12085461 IJRKKKRGTUYURR-VWLOTQADSA-N 431.492 2.796 0 40 IFAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12867905 VUBRIBMPJWGVFA-UHFFFAOYSA-N 443.500 2.946 0 40 IFAB CN(C)Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 12888120 VHRMTCWTLDNSQQ-UHFFFAOYSA-N 433.549 2.992 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 12904231 VNXXJPSZWPOZPZ-UHFFFAOYSA-N 439.537 2.793 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 13580774 PTVLSYDDDUDXOI-HNNXBMFYSA-N 449.504 2.832 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 14595222 UOAZFSKXOLZMKQ-UHFFFAOYSA-N 448.497 2.527 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 14846057 FXZLHKGHNXBUJR-UHFFFAOYSA-N 425.510 2.633 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O 15351176 WJRMAKJXFOUZHU-OAHLLOKOSA-N 440.500 2.863 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 15858202 JQRCHTDROBZWTA-UHFFFAOYSA-N 430.482 2.818 0 40 IFAB Cc1ccc(C2(CN3CCN(Cc4ccc(CN(C)S(C)(=O)=O)o4)CC3)CC2)cc1 19208416 LPKQMVQTUCKXEL-UHFFFAOYSA-N 431.602 2.829 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2)NCc1ccc(F)cc1 19334564 PNSOYBOTGQUSFM-QFIPXVFZSA-N 444.894 2.660 0 40 IFAB CC[C@@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1ccc(F)cc1)S(C)(=O)=O 20111382 NPUVNPMAAORRGX-IBGZPJMESA-N 430.505 2.872 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)cc1 20393615 ZPUIQBHQSAJUFT-RQXXJAGISA-N 425.847 2.910 0 40 IFAB CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)s1 23141802 DSYUGKKYTXRNKY-UHFFFAOYSA-N 444.586 2.599 0 40 IFAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 23265997 HGCCKFMWZCJKCO-NSHDSACASA-N 439.873 2.911 0 40 IFAB COc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 24589768 NVAXPFMMPRTLRJ-HNNXBMFYSA-N 427.526 2.867 0 40 IFAB O=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 24747401 NZYKOJIZBCCBRY-MRXNPFEDSA-N 440.468 2.675 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)CC1 24865497 GCQFYCACSIDRBT-UHFFFAOYSA-N 449.504 2.849 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COc2cccc(C(C)(C)C)c2)CC1 25895267 OXANWQIPKRBNQO-UHFFFAOYSA-N 435.546 2.501 0 40 IFAB CCOC(=O)c1ccc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCC4)ccc32)o1 27915106 YPRRFNOSBNUUKJ-UHFFFAOYSA-N 434.470 2.587 0 40 IFAB COc1ccccc1NC(=S)N[C@H](NC(=O)N1CCOCC1)C(Cl)(Cl)Cl 28293933 CANVSCHOJOFINX-GFCCVEGCSA-N 441.768 2.720 0 40 IFAB CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4nc5ccccc5o4)n3)c(C)n2)CC1 39383791 FHBOZLFYTUQBRR-UHFFFAOYSA-N 432.488 2.562 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49590077 HHLQNIOTTMCJBQ-IBGZPJMESA-N 447.539 2.797 0 40 IFAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(CN(C)CCOc2ccccc2F)C1=O 49622740 FTOROYUAOWPFPW-QHCPKHFHSA-N 427.476 2.886 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H](C)c4cccc(OC)c4)ncn3n2)cc1 51316946 RYQMPKBETDXKPY-MRXNPFEDSA-N 447.495 2.843 0 40 IFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cc(OC)c(OC)c(OC)c1 71745230 GOXJFHIELMUNEL-QHCPKHFHSA-N 439.468 2.650 0 40 IFAB biogenic CCOC(=O)C1=C(CN(C)Cc2nc3ccccc3n2C)NC(=O)N[C@@H]1c1ccccc1 72312002 JYHWDWKAHQDFIS-JOCHJYFZSA-N 433.512 2.876 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccccc1Br 89643169 CFLXRFJFAPNUFW-UHFFFAOYSA-N 440.315 2.998 0 40 IFAB Cc1ccc(F)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 95995728 CAJOQXNOFPINBO-UHFFFAOYSA-N 448.925 2.609 0 40 IFAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104010544 PSWBNFCDLVFUFQ-PMPSAXMXSA-N 434.496 2.563 0 40 IFAB C[C@@H]1[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC[C@H]1C 110523656 QJWQBNBLMGDWSK-ILXRZTDVSA-N 434.027 2.649 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(OC(C)C)c(OC)c2)Oc2ccccc21 218788066 ZZTGMTNANRTMAJ-NRFANRHFSA-N 448.541 2.716 0 40 IFAB COc1cccc(N([C@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)c1 220186165 OAASVIVXVISJAM-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1CCN1CCOCC1 223155839 LOKXHRISPGSPFU-GOTSBHOMSA-N 448.596 2.631 0 40 IFAB COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1I 223982522 FRGKBKBWODPQSV-UHFFFAOYSA-N 435.258 2.960 0 40 IFAB COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 225318349 SDNMNXIBZKWPKR-UHFFFAOYSA-N 431.558 2.511 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OCC(=O)O 409072904 WHQDPCKASJOYEK-MRACZJACSA-N 443.861 2.800 0 40 IFAB O=C(NCC1(c2ccsc2)CCOCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 952990257 WPZFDAWFCHSTGK-UHFFFAOYSA-N 427.526 2.678 0 40 IFAB COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c(=O)oc2c1 2099303 JTPWJULERQEDGX-FQEVSTJZSA-N 434.448 2.946 0 40 IFAB biogenic Cc1ccc(CNC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 3319383 HQPSHVHCPBZJEL-UHFFFAOYSA-N 448.516 2.782 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2ccc(F)cc2F)c1 3370805 FXVMCSDPZRKMHF-UHFFFAOYSA-N 433.440 2.831 0 40 IFAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 8755614 PNUJVUIYPHNAJW-AHKGRUIUSA-N 447.557 2.549 0 40 IFAB COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1OC 8822426 KNHXHOVLVPWVDU-UHFFFAOYSA-N 434.499 2.809 0 40 IFAB COc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CS(=O)(=O)C2 8910510 BFNCQSQFTPLGCK-UHFFFAOYSA-N 427.482 2.635 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 9001263 ISTPSMQQNKRZHR-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCC[C@@H]43)C2=O)cc1 9128988 SAIOMVGMCIZMNJ-DVECYGJZSA-N 437.471 2.667 0 40 IFAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc(OC)c1OC 9344517 IBUPZQHUPXPKFW-LJQANCHMSA-N 425.437 2.746 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(O)cc1 9373560 OFZXDAIJFZPRMF-UHFFFAOYSA-N 432.498 2.671 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)n(C2CC2)c1C 9587510 OLMYSXHAMRJWQU-UHFFFAOYSA-N 433.530 2.722 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O 9985676 KNDLITRGKXMGRH-FYSMJZIKSA-N 441.528 2.646 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)cc2)n2nnnc2N1 10232162 UJHXRYUZBVUEKA-MRXNPFEDSA-N 440.803 2.560 0 40 IFAB Cn1cc(-c2cc(C(=O)N3CCC(c4ncc(Cl)cc4S(C)(=O)=O)CC3)on2)cn1 12186821 XMKLPYRIVJZHST-UHFFFAOYSA-N 449.920 2.547 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C(C)C)cc2)c(=O)n1N 12347850 NDCIHACDWJGLLJ-UHFFFAOYSA-N 439.541 2.806 0 40 IFAB O=S(=O)(c1cccc(Br)c1)N1CCN(C(=S)NC2CCCCC2)CC1 12589604 QCZXDNSISUXKOK-UHFFFAOYSA-N 446.436 2.963 0 40 IFAB CN(Cc1ccco1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 12603573 VKDDQJSLKACUER-UHFFFAOYSA-N 444.557 2.932 0 40 IFAB CCOC(=O)C(NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)C(=O)OCC 12688562 WDNOQIFRKQFCHK-UHFFFAOYSA-N 437.448 2.993 0 40 IFAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 12773417 CHZZZOAKGLKTDC-UHFFFAOYSA-N 440.507 2.865 0 40 IFAB CCc1cc2c(COC(=O)CCn3cnc4sccc4c3=O)cc(=O)oc2cc1O 12876989 GNPMQCTXBPCEFJ-UHFFFAOYSA-N 426.450 2.966 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 14200108 POVHPMMMLZBWDQ-UHFFFAOYSA-N 430.482 2.848 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnnn2C2CCCC2)cc1 14247832 CIJIIUKPCAGLNA-CYBMUJFWSA-N 438.579 2.594 0 40 IFAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2cccc3ccccc23)n1N 14557707 JINURWRFDTUWIK-CQSZACIVSA-N 426.546 2.698 0 40 IFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 16455940 MJHIKBFZFATHKA-QHCPKHFHSA-N 440.475 2.713 0 40 IFAB COc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1S(=O)(=O)NC1CCCC1 16599140 GDGOOZHEJUZVSN-HXUWFJFHSA-N 445.585 2.949 0 40 IFAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCCO3)C1 19020863 OMIWOEQSZGZDNP-LAUBAEHRSA-N 429.542 2.963 0 40 IFAB COc1cc(C)c(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC 19356954 MQYDLULCZGLPGD-OAHLLOKOSA-N 443.525 2.812 0 40 IFAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)c1cnn(-c2ccccc2)c1N 19583002 WTSPCUSLRQLZLY-OAQYLSRUSA-N 447.539 2.882 0 40 IFAB CN1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4cc5ccccc5c(=O)[nH]4)C3)n2)CC1 19588202 RGNWZYNSNIYISQ-GOSISDBHSA-N 447.539 2.853 0 40 IFAB O=C(/C=C/c1ccccc1)Oc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12 19881250 OBXQVOFKTLTRGW-RMKNXTFCSA-N 434.447 2.952 0 40 IFAB CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1N1CCOCC1 22093052 RSISFYVTDDNJFI-UHFFFAOYSA-N 441.351 2.961 0 40 IFAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 22190564 PIYWBVMHPRGSTJ-IEBWSBKVSA-N 440.496 2.786 0 40 IFAB COc1cc(OC)cc([C@@H](NC(=O)[C@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 25160653 DYCCXPYWSFRCPW-VBKZILBWSA-N 436.468 2.812 0 40 IFAB O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)Nc1cc2c(cc1Cl)OCCCO2 27144086 SRMIIEJVYYDMHR-QGZVFWFLSA-N 433.892 2.814 0 40 IFAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3cccnc3N3CCOCC3)cc2)c1C 30634493 OOKDRGZGJAPRFV-UHFFFAOYSA-N 449.511 2.519 0 40 IFAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 32391553 RITGSKYUKVVRJN-HNNXBMFYSA-N 448.483 2.611 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3C)n2N)c(OC)c1 32719433 UUBBKQVNDNSWGY-AWEZNQCLSA-N 427.530 2.954 0 40 IFAB Cc1cccc2c(=O)n(CCCC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cnc12 36397381 KXSIMEFUUZDJDY-UHFFFAOYSA-N 445.523 2.992 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc2)cc1 36569597 HIABLRDSDJBSOA-QFIPXVFZSA-N 440.521 2.637 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 38754751 JKCHWGJJFKIFAM-HNNXBMFYSA-N 430.505 2.791 0 40 IFAB CCOc1cccc(CNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 44847967 OEOJXGPXFHPEPO-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c(Cl)c1 44902055 OFCVXAPWPDMLPN-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)nn2)ccc1F 49406493 PEXGIHAAURUZNX-UHFFFAOYSA-N 425.439 2.889 0 40 IFAB O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 58085880 XRBSUBBULCVGMB-MOPGFXCFSA-N 435.981 2.542 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC 67286449 XDXIUQCIYZKQQN-LJQANCHMSA-N 447.532 2.615 0 40 IFAB O=C(Cc1ccc2c(c1)OCCCO2)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395677 MKQHZFXFUAYKQO-DLBZAZTESA-N 447.486 2.911 0 40 IFAB CCOC(=O)C[C@@H](c1cccc(OCc2ccccn2)c1)c1oc(CO)cc(=O)c1O 72400999 ALYQIMDVNOAMFC-IBGZPJMESA-N 425.437 2.897 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1CCc1ccccc1 79481960 LXYCXZLBTUJVPH-IBGZPJMESA-N 448.508 2.930 0 40 IFAB O=C(NCCCCCc1nnc2ccccn12)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79494182 AMHPZHQBAPQIDY-MRXNPFEDSA-N 427.940 2.918 0 40 IFAB O=C(N[C@H]1CN(c2ccc(F)cc2)C1=O)c1ccc(F)cc1I 95469332 DVTHQCJOIARVOO-AWEZNQCLSA-N 428.176 2.715 0 40 IFAB COCCCN(C(=O)Nc1c(C)cc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 95983795 KNVASLSPLZTSML-AWEZNQCLSA-N 449.367 2.824 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccc(C)cc1 96521121 LEXFKUVSACOELM-QWRGUYRKSA-N 433.105 2.947 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@H]3C2=O)c1 101261845 YTNZDYOTVRDDIH-RBUKOAKNSA-N 448.439 2.556 0 40 IFAB O=C(c1ccc(-n2nnc3ccccc3c2=O)cc1)N1CCN(Cc2ccccc2)CC1 138790931 CLDHZFFAGBWZBM-UHFFFAOYSA-N 425.492 2.739 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220179695 OIRIRWGBIHAIEU-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB Cc1cc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)ccc1N1CCCC1=O 223250530 OQJQHBUCCZGLSE-UHFFFAOYSA-N 437.547 2.759 0 40 IFAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224249193 WZCCFGOBGOMXOE-LJQANCHMSA-N 440.949 2.943 0 40 IFAB COc1ccc(N(CCCC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 224695276 LFZFHNNMSSPXBD-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(Cl)c1 225271716 OWCGLHFEAYERFV-QGZVFWFLSA-N 438.933 2.842 0 40 IFAB COc1cc(-c2nc3sc(=CC4=Cc5ccccc5OC4)c(=O)n3n2)cc(OC)c1OC 254874638 NYKSYFDEPMCZDC-UHFFFAOYSA-N 449.488 2.819 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 257202161 AKSVWSCHJCFCPY-RPWUZVMVSA-N 437.584 2.972 0 40 IFAB O=S(=O)(Cc1ccco1)[C@H]1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 585268448 UMSFJJLNIHFVKK-INIZCTEOSA-N 437.461 2.818 0 40 IFAB O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1S(=O)(=O)C(F)F 1670290431 ZIMMJIXCYHSEAZ-MRXNPFEDSA-N 441.477 2.848 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)cnc2c1 1889279052 OZBXMJWRCDEIJM-UHFFFAOYSA-N 434.496 2.916 0 40 IFAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 2432104 LSHREOLZGWNOJJ-UHFFFAOYSA-N 436.376 2.999 0 40 IFAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 4522131 QNFJSZLAVLYOII-ACJLOTCBSA-N 434.518 2.518 0 40 IFAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)O 8790192 WIGDHKGVWYHZSB-BTYIYWSLSA-N 442.471 2.828 0 40 IFAB biogenic Cc1cc(C)n2nc(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)nc2n1 9223521 UGGIFPOVQRTNGZ-GOSISDBHSA-N 436.516 2.618 0 40 IFAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NS(=O)(=O)c1ccc2c(c1)OCCO2 9506834 HJRNJSXFJRTVES-UHFFFAOYSA-N 443.481 2.729 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCc2c(F)cccc2Cl)cc1C 9647815 CKTKQALVPWJWND-LIRRHRJNSA-N 441.908 2.963 0 40 IFAB Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 9860700 DHGASWJTXWJWCY-VQTJNVASSA-N 443.594 2.956 0 40 IFAB COc1ccc(F)c(C[C@@]2(CCC(=O)N(C)C[C@@H](O)c3ccccc3)CCC(=O)N2)c1 11783481 AXCLSLQJVVPSEI-QPPBQGQZSA-N 428.504 2.998 0 40 IFAB COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)c(OC)c1OC 12467893 VFKNUJCMNFBXPA-QGZVFWFLSA-N 429.477 2.864 0 40 IFAB C[C@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 12551760 UQTIOYVHKAPHSY-HNNXBMFYSA-N 431.514 2.508 0 40 IFAB CSc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12733638 DXTNYCASZCEIHE-UHFFFAOYSA-N 445.488 2.969 0 40 IFAB COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S[C@H](C)c3nc(C)no3)nc2c1 12821167 STKRGEKADTWOBE-RISCZKNCSA-N 430.486 2.907 0 40 IFAB Cc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)c(=O)oc2c1 12870120 VEPNCCSVTGANNC-HNNXBMFYSA-N 428.510 2.867 0 40 IFAB COc1ccc(NC(=O)COc2ccccc2C(C)C)cc1S(=O)(=O)N1CCOCC1 12888624 MSCRFBVBTLQSDD-UHFFFAOYSA-N 448.541 2.857 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 13670469 SJDNESOTQQXSIL-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccccn2)cn3C2CC2)CC1 13688205 JHHFJCVKQSKRJQ-UHFFFAOYSA-N 449.486 2.791 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3nc(C)cs3)cc1O2 13718890 VRANOAXCKAKXIH-UHFFFAOYSA-N 429.498 2.815 0 40 IFAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@H]2C1 13731884 MINDMHTZAPEIRD-SJORKVTESA-N 432.523 2.569 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(I)c2)cc1 15305480 VOKUAWXYSAAWIJ-UHFFFAOYSA-N 430.267 2.794 0 40 IFAB O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 15360710 OYFBSCZBKSJZQI-UHFFFAOYSA-N 437.359 2.891 0 40 IFAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(S(C)(=O)=O)CC3)ccc21 15400947 HDFRGHVTQDYXLO-MRXNPFEDSA-N 428.558 2.719 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 16048331 MSIPKNJNYKSQRU-NRFANRHFSA-N 431.395 2.547 0 40 IFAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2ccccc2)CC1 16489044 ORTYTENELRFSEB-UHFFFAOYSA-N 443.569 2.635 0 40 IFAB COc1cccc2sc(N(Cc3cccnc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc12 16847960 SIMOHURLQPPFGZ-OAHLLOKOSA-N 446.554 2.657 0 40 IFAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 16850378 VMXXQBGVSUENNK-UHFFFAOYSA-N 445.522 2.878 0 40 IFAB COc1cccc(N(C)CCC(=O)N2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)c1 19693556 QTJGWNFVHZDJFD-HSZRJFAPSA-N 433.512 2.974 0 40 IFAB Cc1nonc1NC(=O)CN1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19698386 RTZMBBMWTZDSLV-HXUWFJFHSA-N 441.507 2.773 0 40 IFAB CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)Cn2cc(C)nn2)CC1 19700096 BSAMLIFBSZFYND-UHFFFAOYSA-N 449.530 2.990 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CC[C@H](c3cc(COc4ccccc4Cl)[nH]n3)C2)n1 19704622 GCRNMTJAMWYSOX-HNNXBMFYSA-N 427.892 2.523 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCN(Cc2ccccc2)CC1 23290670 NTZPSWDCJPVWSU-UHFFFAOYSA-N 448.489 2.920 0 40 IFAB COc1ccc(-n2ncc(C(=O)N(C)C[C@H]3COc4ccccc4O3)c2C(F)(F)F)nn1 24664042 IARLOAKIJSNHGQ-LBPRGKRZSA-N 449.389 2.602 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cccnc2SC(F)F)cc1 25061512 HUOZIJOPTYPOBZ-UHFFFAOYSA-N 432.470 2.882 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 25754951 ODTWTDNXTIEPQK-QFIPXVFZSA-N 447.023 2.928 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 29997681 YANJVRMIKAMZFI-UHFFFAOYSA-N 435.576 2.651 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)cc1 30947336 POILBMGTBQJKPO-UHFFFAOYSA-N 429.542 2.736 0 40 IFAB C[C@@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)c1nc(N)nc(N(C)C)n1 31804986 GIUUPJMFIKHCKX-SECBINFHSA-N 443.924 2.861 0 40 IFAB COc1ccc(-c2nc(CC(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cs2)cc1OC 32722580 QKWPWYBAPMJGGH-GOSISDBHSA-N 437.521 2.809 0 40 IFAB CNC(=O)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 32876563 AGYXAKXIHUMSQR-UHFFFAOYSA-N 445.504 2.871 0 40 IFAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 40152722 XPWFMQPJMWZBQV-HXUWFJFHSA-N 427.545 2.599 0 40 IFAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855577 CIEPDZYIMTZULZ-JXFKEZNVSA-N 446.525 2.641 0 40 IFAB COC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)o1 49408496 SJYIXSKJEDCFKT-UHFFFAOYSA-N 444.444 2.952 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 59816869 AUGWQUXFVSSKIN-HEHGZKQESA-N 425.489 2.610 0 40 IFAB Cc1cc(C(=O)CN2CC[C@H](N(C)Cc3ccccc3)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 72308748 JHOHVSDHIQXHKH-VXKWHMMOSA-N 443.613 2.854 0 40 IFAB CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3ccnc(-c4cccnc4)n3)C2)cc1 72335827 IMJKGFXOGLWXII-LJQANCHMSA-N 436.537 2.891 0 40 IFAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)CNS(C)(=O)=O)C2)n1 72356210 GYTUNFZRZWWCDM-SFHVURJKSA-N 435.977 2.889 0 40 IFAB COc1cc(NC(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc(OC)c1 77196670 FYKFLGJBUSJCIE-UHFFFAOYSA-N 435.488 2.859 0 40 IFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 79189310 VVEAUEIOLRLSJI-RXVVDRJESA-N 447.399 2.819 0 40 IFAB biogenic CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccccn4)CC3)c3ccccc32)CC1 96052960 XNIZCKIFAOLHSJ-FQEVSTJZSA-N 432.568 2.907 0 40 IFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)Cc1nonc1C 100141384 MBFOZGZKJBBZCZ-AUUYWEPGSA-N 430.468 2.927 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 206681677 CIGIYUKLIGLGJQ-UHFFFAOYSA-N 428.491 2.702 0 40 IFAB Cc1cccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C 223046139 JZTVIUXMLJYQBV-UHFFFAOYSA-N 429.586 2.835 0 40 IFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 225442686 HWWHAUREXHSRAC-CQSZACIVSA-N 434.514 2.879 0 40 IFAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c1 245093434 RNGHJQDFWSMBHL-LJQANCHMSA-N 439.537 2.892 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 257264117 LTAGUFTZAXIZDA-DEOSSOPVSA-N 449.580 2.847 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(Cl)c1 408546812 GOGMYWFDNBHYSA-UHFFFAOYSA-N 443.903 2.733 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)c1 408616551 AGBIHBRIXNIQGE-NSHDSACASA-N 428.894 2.671 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCO2 409170220 URXSHYJOKBVFBA-UBKPWBPPSA-N 426.406 2.819 0 40 IFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 524671236 FJBCRAUDFOMHJH-UHFFFAOYSA-N 437.481 2.722 0 40 IFAB O[C@@]1(COc2ccc(F)cc2)COCCN(Cc2cccc(OCCn3cccn3)c2)C1 585273149 ATJSBVFMJMFPGZ-XMMPIXPASA-N 441.503 2.744 0 40 IFAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1CC[C@@]2(O)CCCC[C@@H]2C1 604419642 OFFFOCNZAWTYHK-BPKZHXITSA-N 445.519 2.955 0 40 IFAB biogenic C[C@]1(c2cccc(-c3noc(-c4cccc(Nc5ncccn5)c4)n3)c2)NC(=O)NC1=O 680735588 FAANESYUPACLHT-JOCHJYFZSA-N 427.424 2.992 0 40 IFAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)C[C@H](N2CC[C@H](n3cncn3)C2)C1=O 681590230 GDBJTFDCHWXACX-PXNSSMCTSA-N 449.898 2.741 0 40 IFAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1199775359 AHMDSJKOGYLRDL-JOCHJYFZSA-N 426.448 2.919 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3NC(=O)C[C@@H]3c3ccccc3)c2)C1 1654089495 UPVSWFMRLBMEDB-LLGFUMIMSA-N 441.553 2.972 0 40 IFAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(c5cc(C(F)(F)F)nc(C)n5)C[C@H]4C3)ncn2)n1 2086869115 TYIFLIMIFFRGRJ-IYBDPMFKSA-N 444.465 2.969 0 40 IFAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1080729 VMXPKINUOWOAFI-UHFFFAOYSA-N 437.521 2.946 0 40 IFAB Cc1cccc2cc(CN(CCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c12 1224314 GCZOJUXPDYYDSY-UHFFFAOYSA-N 440.569 2.638 0 40 IFAB COc1cc(-c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc(OC)c1OC 2386419 NYKSYFDEPMCZDC-OCKHKDLRSA-N 449.488 2.819 0 40 IFAB O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1-c1cccc(Br)c1 8601178 PDYVMKZQXWTVSE-UHFFFAOYSA-N 445.292 2.754 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC 9171664 BNNMIWVCBDLINX-CIQXWFTPSA-N 445.475 2.609 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263697 UUNNWULZVSTCFB-UHFFFAOYSA-N 439.497 2.939 0 40 IFAB Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 9269413 YEPISOALXVRNDB-LEWJYISDSA-N 441.553 2.967 0 40 IFAB Cc1cccc(Nc2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)s2)c1 9367925 HPNFCTBGTDZMMH-UHFFFAOYSA-N 445.570 2.870 0 40 IFAB CCSc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570262 NTZDNHVOODNQGL-UHFFFAOYSA-N 433.599 2.680 0 40 IFAB O=C(NCCCn1ccc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9670971 BFQFSVCTXKTRKQ-UHFFFAOYSA-N 440.569 2.889 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 9846845 BZFCDVSFDZFQJG-MRXNPFEDSA-N 439.295 2.849 0 40 IFAB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 9862257 FAXHXMLIHPNYDF-NVXWUHKLSA-N 433.603 2.958 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 10969336 XLSJUCWXENYNAU-CQSZACIVSA-N 425.510 2.953 0 40 IFAB Cc1ccc(NC(=O)Cn2nc(-c3ccco3)oc2=O)cc1I 11643439 KLWVJPOHOGEDJT-UHFFFAOYSA-N 425.182 2.648 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)Nc1ccc2ncccc2c1 12085598 MSCLJMCLVGONQI-DEOSSOPVSA-N 429.480 2.738 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 12635428 GAOOYKXBVLKCJY-UHFFFAOYSA-N 434.492 2.697 0 40 IFAB O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 12749437 KKSXBMHBWCORLN-NSHDSACASA-N 430.349 2.945 0 40 IFAB COc1cccc(-c2nc(CS[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)c1 12931315 QGIBWIIWVOGAOF-JSGCOSHPSA-N 426.585 2.744 0 40 IFAB CN(CCOc1ccccc1)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13131162 IBAQUFLZNNYCSO-UHFFFAOYSA-N 431.558 2.811 0 40 IFAB O=C1CCCN1c1ccccc1NCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 15361519 KVGIRHYIIGWGFL-SFHVURJKSA-N 433.574 2.574 0 40 IFAB Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CSCC(=O)O)n1 15672521 NIEPCSMZLSPURD-OTWHNJEPSA-N 440.569 2.564 0 40 IFAB biogenic,in-vitro COc1ccc(-c2cc(C(=O)NCc3ccccc3)n[nH]2)cc1S(=O)(=O)N1CCCC1 15860808 BINMQHMAYRYQTA-UHFFFAOYSA-N 440.525 2.800 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527409 SSALSVQMHIWYRV-WOJBJXKFSA-N 439.581 2.743 0 40 IFAB Cc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1Cl 20237494 KDPLOWPFVYCZCG-UHFFFAOYSA-N 435.977 2.759 0 40 IFAB Cc1ccc(NC(=N)NC2=N[C@H](CC(=O)Nc3ccc(Br)cc3)C(=O)N2)cc1 20799165 GRJPXPYZZNRFCX-OAHLLOKOSA-N 443.305 2.577 0 40 IFAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12 22793792 DCDXZGSTZKCWCU-LJQANCHMSA-N 437.565 2.822 0 40 IFAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12 22793801 DCDXZGSTZKCWCU-IBGZPJMESA-N 437.565 2.822 0 40 IFAB CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 24764264 NEHWKMVMXKADMU-UHFFFAOYSA-N 432.542 2.843 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC 26112065 QSRQSGJZRNXAMV-UHFFFAOYSA-N 437.949 2.609 0 40 IFAB C[C@H]1CCc2nc3ccccc3c(C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2C1 29184547 BTCQWFSEEYQFFK-YESZJQIVSA-N 445.585 2.528 0 40 IFAB O=C(Cn1ncc2ccccc2c1=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 29285993 DJVGJPCVIUJFOL-UHFFFAOYSA-N 446.429 2.640 0 40 IFAB COC(=O)c1sccc1NC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C 29356455 RFLLICXVCVFWLB-CQSZACIVSA-N 446.510 2.907 0 40 IFAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31778061 CJZVCFJOQXUMRI-IBGZPJMESA-N 441.553 2.531 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCc1nc(-c2ccccc2)no1 33231664 OWIOLKOCXYTNKD-HNNXBMFYSA-N 428.514 2.926 0 40 IFAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(=O)O)cc3)n2)cn1 35425637 NOVRDAINZSDPNR-KRWDZBQOSA-N 437.456 2.752 0 40 IFAB biogenic,in-vitro Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(OCc3ccccn3)cc1)CC(=O)N2 36358114 LWNDJRTWJWUBIY-GOSISDBHSA-N 428.452 2.712 0 40 IFAB COc1ccccc1NC(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O 56949810 FSQKPHLSOUAQEG-UHFFFAOYSA-N 449.507 2.988 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC(=O)N(C)Cc1ccccc1 58216521 XGSVVKTZCLAHGB-UHFFFAOYSA-N 447.333 2.654 0 40 IFAB O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1ccccc1)N1CCSCC1 58363154 JJMRPUMYSOHZMK-SFHVURJKSA-N 434.608 2.993 0 40 IFAB CS(=O)(=O)N1CCC[C@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 58418794 GLQBBEWGNKFQPO-INIZCTEOSA-N 441.347 2.521 0 40 IFAB O=C(Nc1cccnc1N1CCCC1)N1CCC(NS(=O)(=O)c2cccs2)CC1 69443564 TYOVXLPTBCERPH-UHFFFAOYSA-N 435.575 2.718 0 40 IFAB CN(c1ccc(Br)cc1F)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 71823914 FREQOLWFHBAGGW-UHFFFAOYSA-N 446.250 2.883 0 40 IFAB CON(C)S(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 78564537 HKBCNKRFDKAEJZ-UHFFFAOYSA-N 438.525 2.603 0 40 IFAB COC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc(Br)cc3F)n2)cc1 78876862 UQMUOYNINCCGDD-UHFFFAOYSA-N 434.225 2.667 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)cc1OC 90609674 ICEINTNQLSHHQR-OAHLLOKOSA-N 431.558 2.639 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)CC2)cc1 102342426 KVCADAZCZCTMCC-QIJZPMMNSA-N 446.569 2.556 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)cc1 113563912 OUQVABKODYWBMG-OAGJVSPASA-N 426.450 2.699 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 113938691 GUAMCIXQDYBYOC-QFIPXVFZSA-N 438.505 2.968 0 40 IFAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(OC)cc1 216276698 ABOAAECXJGSBOG-SFHVURJKSA-N 434.514 2.848 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220733770 XEJYCESEFNQXTR-SFHVURJKSA-N 444.981 2.995 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224702609 SZRLEDMTEJNESK-UHFFFAOYSA-N 445.585 2.618 0 40 IFAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224805236 BYIHZIDNIGCDET-UHFFFAOYSA-N 449.548 2.578 0 40 IFAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(c3ccccn3)CC2)cc1OC 253401431 MXDKTJHCVDJPIP-HNNXBMFYSA-N 438.484 2.770 0 40 IFAB biogenic,in-vitro O=C(O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 253496010 YWBBQAWHZQMDHT-YUGWGPBPSA-N 441.909 2.908 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)Cn1c(C)cc(C)nc1=O)C3 257224250 FAYJQXCXGHWSLY-SIKLNZKXSA-N 437.540 2.946 0 40 IFAB CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cn2cncn2)CC1 257236753 HDPXGFTUWDZVNS-UHFFFAOYSA-N 437.569 2.994 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 408622224 MXXYMOOUBFLMRI-KRWDZBQOSA-N 449.548 2.548 0 40 IFAB O=C1C[C@@H](C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)CN1c1ccc2c(c1)OCCO2 533749880 IUPXJTBQCNEXPF-MJGOQNOKSA-N 446.507 2.852 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)c1=O 575614841 KHUFELUZALJASW-UHFFFAOYSA-N 427.408 2.794 0 40 IFAB CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585282046 GHUNRVRADDRBQE-HXUWFJFHSA-N 430.904 2.542 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCc3ccccc3[C@@H]2C(N)=O)sc2c1CC[C@H](C)C2 609355641 YHINELRGZZWFGQ-RNODOKPDSA-N 441.553 2.683 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccc(Oc4ncccn4)c3)CCN2C)c1 1848352732 HLHRXKBQBJTUJE-NRFANRHFSA-N 431.496 2.757 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 923951 CGDCDHNXBLKKDY-UHFFFAOYSA-N 436.917 2.763 0 40 IFAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2092947 BJUDTNWKMRPVDS-NRDMVMEKSA-N 436.556 2.503 0 40 IFAB biogenic CN(CCOc1ccc(Br)cc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 3415421 QFDLFWZDWMNXFK-UHFFFAOYSA-N 441.347 2.850 0 40 IFAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1CC 3521569 MBKHRIMKGOUCKZ-OAHLLOKOSA-N 432.542 2.552 0 40 IFAB CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@@H]1C 8706121 VKQFWQVTWYTRMY-QGZVFWFLSA-N 428.496 2.902 0 40 IFAB COC(=O)C1=NN(c2cccc3ccccc23)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 9075403 MVWMIPNHUXMCRQ-CTNGQTDRSA-N 429.432 2.756 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 9126110 CAPPVAZZCSPXMB-HXUWFJFHSA-N 433.823 2.656 0 40 IFAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCc2ccccc21 9263478 IUXFYNFCIIDVOX-UHFFFAOYSA-N 425.489 2.817 0 40 IFAB CC(=O)N1N/C(=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)C[C@H]1c1ccc(Cl)cc1 9420283 JJIPUSWJWXOXNP-HMNTXPNISA-N 430.892 2.803 0 40 IFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC[C@H]1COc2ccccc2O1 9712813 YZCISMHUDZFTFD-ZDUSSCGKSA-N 427.438 2.514 0 40 IFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9816372 IMYNIEMNBKQAGE-NRFANRHFSA-N 429.860 2.907 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c1 9852859 JOOMUGJYKYAKFU-UHFFFAOYSA-N 433.461 2.657 0 40 IFAB COc1cc(NC(=O)[C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc(OC)c1OC 9856713 WKARRHXOYVSHMR-IBGZPJMESA-N 446.456 2.870 0 40 IFAB COc1ccc(C(=O)NC2CCC(O)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 10028017 QFJZEEXBNYGSHR-UHFFFAOYSA-N 432.542 2.549 0 40 IFAB COc1ccc(Cc2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn23)cc1OC 10311850 DGLPMKHZHQOGLK-UHFFFAOYSA-N 449.492 2.633 0 40 IFAB O=C(NC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1)c1ccccc1 11227294 IUCIVQNZVHZNHA-UHFFFAOYSA-N 441.553 2.506 0 40 IFAB COc1cccc(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 12006081 VLUKKETUBDUNIG-ZDUSSCGKSA-N 436.917 2.634 0 40 IFAB biogenic COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4ccn(C)n4)CC3)C1)c1cccn1-2 12086242 AQFGKDXKHDONTN-DEOSSOPVSA-N 433.512 2.936 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)ccc1OC 12615509 OLPCDEOIMYYLTJ-UHFFFAOYSA-N 431.539 2.965 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)NCC(=O)Nc1ccccc1Br 12700858 ACSOQMYXQPNPGQ-UHFFFAOYSA-N 435.274 2.794 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C 12806994 UPJKHWFYPUEWOT-ZAMGYDSWSA-N 439.468 2.687 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCOCC2)cc1 12904844 OUHRCZVBFBEDFZ-HSZRJFAPSA-N 437.540 2.621 0 40 IFAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1C 12919863 KHFVGABZDRFFDD-OAHLLOKOSA-N 429.542 2.725 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 12985053 AHQXKFJHYDKIRS-SFHVURJKSA-N 438.557 2.544 0 40 IFAB Cc1c(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)oc2cc(O)cc(O)c12 13624230 HMEUTNBLZZVDNR-VMPITWQZSA-N 434.492 2.913 0 40 IFAB COc1cccc(N2CCN(C(=O)c3ccc4nc(NS(C)(=O)=O)sc4c3)CC2)c1 13727810 OCKQWCHZHSSXFH-UHFFFAOYSA-N 446.554 2.639 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3c(F)cccc3F)n2C)cc1 13956694 KMXWIVLCOIZLCD-UHFFFAOYSA-N 447.467 2.763 0 40 IFAB O=C(Nc1ccnn1Cc1ccccc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14245167 VOKNXOOPDXJBDS-SFHVURJKSA-N 449.536 2.731 0 40 IFAB CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC 15503924 AXMPCBSFOYHQIO-GAJHUEQPSA-N 439.512 2.956 0 40 IFAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)cc1 16553617 OUJFXINBTGDYDZ-LJQANCHMSA-N 436.556 2.771 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2-c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccco1 18278530 VVJWUSZHQJMKBV-QGZVFWFLSA-N 440.485 2.527 0 40 IFAB Cc1nc2c(c(N3CCN(C(=O)c4ccncc4)CC3)n1)CCN(Cc1ccccc1)C2 19286218 UDIAGKCRODZIPB-UHFFFAOYSA-N 428.540 2.701 0 40 IFAB CSCC[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cc(=O)[nH]c(-c2cccnc2)n1 19573952 ZORDBZYVDVBDLC-FUHWJXTLSA-N 449.536 2.868 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CCN(C)C2 19708818 BFYQUDNZTYQROF-MRXNPFEDSA-N 427.524 2.820 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C(=O)c3nccn3C)nc2C)c1 19764612 MEKQAFUZVIZZQY-FQEVSTJZSA-N 448.527 2.825 0 40 IFAB CCOC(=O)[C@@H](C)n1c(=O)n(CC)c(=O)c2c3c(sc21)CN(Cc1ccccc1)CC3 19819680 UBDRKDZAYYJRFN-OAHLLOKOSA-N 441.553 2.927 0 40 IFAB COc1ccc(-c2noc(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)n2)cc1 21408465 JPDROHFBGIVMMW-UHFFFAOYSA-N 431.470 2.661 0 40 IFAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NC(=O)Nc1ccccc1 22188447 HAXXMSOJAVEZQV-UHFFFAOYSA-N 437.525 2.902 0 40 IFAB Cc1ccccc1CSCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 22526555 OGVGIYWQPWMNEX-UHFFFAOYSA-N 439.578 2.797 0 40 IFAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 23844508 ZXZFEDKZUFJOFM-XMMPIXPASA-N 435.480 2.558 0 40 IFAB COc1ccc(N2C(=O)N=C(O)[C@]3(Cc4cccc(F)c4N4CCOC[C@@H]43)C2=O)cc1 25185183 NGBGJZGLWQIINZ-VGOFRKELSA-N 425.416 2.705 0 40 IFAB O=C(COc1ccccc1CNC[C@@H](c1cccs1)N1CCOCC1)N1CCCC1 25261335 YUIZNSUQRYWBTH-FQEVSTJZSA-N 429.586 2.912 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 27639423 DYCZTYRMKWGIGL-NSHDSACASA-N 445.419 2.849 0 40 IFAB CCOc1ccc(NCC(=O)NCCc2ccccc2C)cc1S(=O)(=O)N1CCCC1 29936967 YCFVAMDVWDYSFL-UHFFFAOYSA-N 445.585 2.949 0 40 IFAB COC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 33525789 ODRDTAKWWUSSFJ-CXUHLZMHSA-N 431.422 2.855 0 40 IFAB C=CCOc1ccc([N+](=O)[O-])cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 34718882 KVOZGDNFSLOZMB-GDNBJRDFSA-N 427.369 2.632 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)NC2CCCCC2)CC1 40157377 FFMWWVKDVSRKTI-IBGZPJMESA-N 432.590 2.761 0 40 IFAB CCc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O 44901568 VRFNGKMWNZQARP-UHFFFAOYSA-N 426.542 2.826 0 40 IFAB COc1ccc(CN(Cc2csc(-c3ncccn3)n2)[C@@H]2CCS(=O)(=O)C2)cc1 48290188 QAIWLOIHNZOJEA-QGZVFWFLSA-N 430.555 2.798 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCn2c(C)csc2=O)ccc1Cl 57991555 MNUJXEJCFMCWIP-UHFFFAOYSA-N 431.967 2.931 0 40 IFAB COCCOc1ccc(S(=O)(=O)N(CCOC)c2cccc(Br)n2)cc1 96013503 RDQNRQJNUOFWOW-UHFFFAOYSA-N 445.335 2.711 0 40 IFAB Cn1c(=O)/c(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)s/c1=C/C(=O)C(C)(C)C 96759253 YYMQXQHOGLXGBD-ZFPLGESLSA-N 444.560 2.919 0 40 IFAB O=C1[C@@H]2[C@H](C(=O)N1C1CCCCC1)[C@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]12 100088229 KSOCXRSCFJVURG-XLCLMAPBSA-N 436.552 2.916 0 40 IFAB COc1ccccc1[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@@H]2c2snnc2C3)[C@@H](C)C1=O 100214818 JROZTJHXSVBCKJ-JSSFPYSZSA-N 426.542 2.582 0 40 IFAB O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(Cc2ccncc2)CC4)C1 100233674 NYXKCPZSJKZSBH-LJQANCHMSA-N 446.555 2.894 0 40 IFAB Cc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 101165649 YIFYCHUIYSPJQG-DLBZAZTESA-N 442.273 2.689 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 109037596 VDHBIFFCUGKQIW-OJLQRUNKSA-N 426.561 2.501 0 40 IFAB C[C@H](C(=O)NCCCN1CCCc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220324518 XEMAEAJOCOLKND-QGZVFWFLSA-N 433.549 2.939 0 40 IFAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 223882506 OAMJZGZNFMCNNG-UHFFFAOYSA-N 436.530 2.671 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1 245108377 SUFAVKQDEAAAID-FQEVSTJZSA-N 430.507 2.587 0 40 IFAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccc(OC)cc2O1 247956639 OPPOWRYJUILWOL-SKYHNFRHSA-N 429.561 2.798 0 40 IFAB COc1ccc([C@@H]2N=C3NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 253569542 MLCZYSQSTFIVEQ-VGOFRKELSA-N 448.527 2.776 0 40 IFAB C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCOC2(CCOCC2)CC1 546690743 ZJZWFZVKBIGQEB-CQSZACIVSA-N 441.450 2.651 0 40 IFAB CC(=O)N1CCCN(Cc2ccccn2)CCN(C(=O)c2cnc[nH]2)Cc2ccccc21 643567105 SBVCMMAECJEMED-UHFFFAOYSA-N 432.528 2.706 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(Cc1cncn1C)CC2 1549168302 USCTWZIXTNGRNM-JOCHJYFZSA-N 435.572 2.635 0 40 IFAB O=C(CN1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3538079 VQLVPXNZVOVLPZ-UHFFFAOYSA-N 435.549 2.735 0 40 IFAB CN(CCOc1ccccc1F)CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8849791 QDQPFXXUMAOOBD-UHFFFAOYSA-N 435.521 2.560 0 40 IFAB Cc1c(OCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)ccc2c3c(c(=O)oc12)CCC3 8877193 GGWOXEJWUSLBED-SJORKVTESA-N 446.503 2.777 0 40 IFAB biogenic Cc1ccc(OCCCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 8982046 UCLKSYAIERROHR-UHFFFAOYSA-N 436.505 2.953 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c(C)c1 9001031 QEUSQHOSMXNVGI-UHFFFAOYSA-N 429.480 2.565 0 40 IFAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCN1c1cccc(Cl)c1 9124447 UCUPJJRJHRYAOW-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB CCN(C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1)[C@H]1CCS(=O)(=O)C1 9612959 IWEDVPZNJMEQQS-LUYJPIOASA-N 439.580 2.929 0 40 IFAB O=C(CNC(=O)c1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1 9670776 PULASGCEDQBLPB-UHFFFAOYSA-N 430.346 2.960 0 40 IFAB NC(=O)N[C@@H](CC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Oc2ccccc2)c1 9712394 GCVGGSPUQRMUFP-NRFANRHFSA-N 446.511 2.717 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 9844773 GGNHEZUDMVXAAL-UHFFFAOYSA-N 433.917 2.941 0 40 IFAB Cc1cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc2n1C(C)C 10271870 JLBPLVMYQSXATC-UHFFFAOYSA-N 430.306 2.850 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 10444801 GCBCVOWOEGWGDF-UHFFFAOYSA-N 434.514 2.893 0 40 IFAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1ccc(O)cc1 11859614 YNNOFDLJUSZSFF-NRFANRHFSA-N 435.484 2.845 0 40 IFAB CN1N=C(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)CCC1=O 12003653 KUOFUPGOEMGCCB-UHFFFAOYSA-N 440.266 2.961 0 40 IFAB COC(=O)c1c(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc2c1C 12778338 FVOHRPNGDXMPEP-UHFFFAOYSA-N 442.493 2.937 0 40 IFAB Cn1c(=O)c(C(=O)COc2cc(Cl)ccc2Cl)c(N)n(Cc2ccccc2)c1=O 12796533 SSCVOSCWQPEIJR-UHFFFAOYSA-N 434.279 2.746 0 40 IFAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)Cn2ccc(=O)[nH]c2=O)cc1C 12972200 JDYBSRBPCAVTTC-UHFFFAOYSA-N 443.507 2.665 0 40 IFAB COc1cccc(N2CCN(C(=O)[C@H](C)Sc3nc(Cl)nc4nc[nH]c34)CC2)c1 13570780 DYZGLQAAIHFSEL-LBPRGKRZSA-N 432.937 2.844 0 40 IFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCCc2ccccc21 13845038 GITVEKKDTSFKNB-UHFFFAOYSA-N 439.516 2.956 0 40 IFAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14252409 ZAYJIVIRSNKPLR-LJQANCHMSA-N 448.972 2.864 0 40 IFAB C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C(=O)N(C)c1ccccc1 16044052 YTJHNDHSPUYQAH-HNNXBMFYSA-N 438.933 2.791 0 40 IFAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)CCc3cn(C)c4ccccc34)nc2C1 19019011 ULTHLOVXTZLIAH-QFIPXVFZSA-N 447.539 2.875 0 40 IFAB CSCC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 19288655 SASYQVQZBVDDBY-MRXNPFEDSA-N 438.557 2.668 0 40 IFAB CCOc1cc(CCC(=O)N2CCC[C@@]3(CN(C(C)=O)Cc4ccccc4O3)C2)on1 19532348 RNVDPWVCTWWBKT-QHCPKHFHSA-N 427.501 2.808 0 40 IFAB COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)Cc1c(C)nc(OC)nc1OC)C2 19579462 QTSRRDZTSANQCB-NRFANRHFSA-N 441.528 2.733 0 40 IFAB CCOc1ccccc1C(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694957 SYMGFBYPKQJQCN-FQEVSTJZSA-N 434.500 2.612 0 40 IFAB CNC(=O)c1[nH]c([C@H]2CCCN(C(=O)c3snnc3C)C2)nc1-c1ccc(OC)cc1 19698900 REKSNUZZWGMRES-AWEZNQCLSA-N 440.529 2.625 0 40 IFAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19702488 VTMHWBQKFKTHFG-CQSZACIVSA-N 447.586 2.734 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)c1sc(C)nc1C)CC2 19710381 BYFBVYGVHZBZQF-KRWDZBQOSA-N 428.562 2.864 0 40 IFAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1 20152655 OEKLEFMYIRWJTM-UHFFFAOYSA-N 429.476 2.520 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 21583351 QDEDQNZCXNIZOR-INIZCTEOSA-N 439.516 2.602 0 40 IFAB CCN(CC(=O)NC(C)(C)C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 22240790 MKDQLSSZCPELFR-HNNXBMFYSA-N 428.455 2.529 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)nn1-c1ccccc1 22302941 TZOGYXYGNDGCCW-HOTGVXAUSA-N 439.541 2.859 0 40 IFAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 23411663 WFGLEYDWCYXWTG-NRFANRHFSA-N 433.512 2.593 0 40 IFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccnc(N2CCOCC2)c1 25291141 MZWCBRIOYXENOB-UHFFFAOYSA-N 444.539 2.980 0 40 IFAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)cc1 25512951 FBEHSXZVVCBYCZ-HXUWFJFHSA-N 432.542 2.906 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25901423 PCORALLRVOMANM-WMZOPIPTSA-N 429.542 2.788 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 28337766 LKXMMZSRCHQMET-UTPRNQHHSA-N 436.917 2.991 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1ccccc1I 29158287 YSVINMDACQZLEA-UHFFFAOYSA-N 441.313 2.564 0 40 IFAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32768266 GDIOAMMJSSURCZ-GOSISDBHSA-N 434.508 2.633 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1OC 32777502 CQBAFOZYOCEWBL-OAHLLOKOSA-N 449.349 2.832 0 40 IFAB Cc1csc(=O)n1CCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 32858028 JGCMOQXBLVYMDB-UHFFFAOYSA-N 438.556 2.742 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 35400190 MXGCXHDQPCOGSY-LBPRGKRZSA-N 431.942 2.874 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 36398685 GGUYPHFUOINORL-UHFFFAOYSA-N 427.570 2.683 0 40 IFAB CCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3)n([C@H]3CCS(=O)(=O)C3)n2)s1 36631333 GFGRTQGPQUGQOR-ZDUSSCGKSA-N 447.542 2.585 0 40 IFAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 40108518 NXLLZXYJLGXTAX-WOJBJXKFSA-N 426.561 2.810 0 40 IFAB Cc1ccccc1Cc1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)s1 40111733 OEAXVQQOSZYQTO-UHFFFAOYSA-N 447.538 2.909 0 40 IFAB CN(C(=O)CCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1 40121232 YYMRCAIGGKOWCG-LJQANCHMSA-N 425.504 2.776 0 40 IFAB Cc1cccc(CN2CCc3nc(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3C2)c1 49400941 KFTNYUMOJDAUJI-UHFFFAOYSA-N 446.507 2.786 0 40 IFAB COc1cccc(-c2cc3c(N4CCC(C(=O)NC[C@H]5CCCO5)CC4)nccn3n2)c1 67263446 PBVCQPZIADRTPB-HXUWFJFHSA-N 435.528 2.917 0 40 IFAB O=C1C[C@@H]([C@@H]2CCCN(C(=O)CCn3nc(O)ccc3=O)C2)Oc2ccc3ccccc3c21 72342304 WTFNJXAJINRQBU-UTKZUKDTSA-N 447.491 2.765 0 40 IFAB Cn1c(=O)c2ccc([C@H]3CCCN3Cc3ccncc3)nc2n(Cc2ccccc2)c1=O 72373398 BYGFPRFBBOUJNX-JOCHJYFZSA-N 427.508 2.876 0 40 IFAB CN1CCc2nc(C3CCN(C(=O)c4ccc(N5CCCCC5)cc4)CC3)[nH]c(=O)c2C1 72398681 AQGKVFVDFQDGBV-UHFFFAOYSA-N 435.572 2.768 0 40 IFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccncc1 80336745 BVYOSNJEBBNPGR-HXUWFJFHSA-N 429.952 2.908 0 40 IFAB COc1ccc(C(=O)Nc2cccc(/C=c3\s/c(=C/C(=O)C(C)(C)C)[nH]c3=O)c2)cc1 105740449 CQUYOPHLRMFBTR-GRDMYJHDSA-N 436.533 2.922 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2sncc2c1 222891234 TVHNKQQHPFDQOO-UHFFFAOYSA-N 431.539 2.889 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 222973867 ZKEIWQVMYKKDSQ-INIZCTEOSA-N 439.487 2.755 0 40 IFAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)c(C)c1 223417157 GMXRMLWUXKBPBB-HXUWFJFHSA-N 432.542 2.906 0 40 IFAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)S(C)(=O)=O 223763703 YKTYQQZGAZQOIO-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225018381 YAUBXYXISOMMAZ-QGZVFWFLSA-N 447.532 2.702 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)C(F)(F)F)c1 226401467 NQAKXRMWKLZAAY-ZXLDYLNASA-N 432.398 2.795 0 40 IFAB Cc1nc(CN2CC[C@]3(CN(C(=O)C4CC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306123722 AUPFUFICHNNDLK-XMSQKQJNSA-N 427.574 2.984 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)cc1 408547654 KSAPVJWPYFMLPG-UHFFFAOYSA-N 435.933 2.787 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 408550221 BOYQNLXRQFSVRJ-WMZOPIPTSA-N 432.542 2.982 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408671378 XYQLUGNTBPRWJI-WIOUJZMWSA-N 430.888 2.653 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc(OC)c2O)C1=O 409241456 NKWFAYPPPXVLOL-RIYZIHGNSA-N 431.832 2.594 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3OC)cc2)CC1 610058115 JACBLFIQDRXSGD-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(COc4ccc(Cl)cc4)nn23)C1 1501040349 KAIKPDDCXASBRQ-NSHDSACASA-N 427.939 2.557 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](NC(=O)N3CCN(c4ccccc4)CC3)C2)cc1 1355914 AUIYZXHRTJMRJH-HXUWFJFHSA-N 442.585 2.680 0 40 IFAB CCOC(=O)c1cnc(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc1N 6089630 GRGSGFNROBGFIX-UHFFFAOYSA-N 438.531 2.821 0 40 IFAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C1 8840406 WOIXMBFTTIMSID-UHFFFAOYSA-N 444.962 2.857 0 40 IFAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cc(Br)ccc1O 9189641 QANKUGBJQUJPGD-LBPRGKRZSA-N 441.351 2.820 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1F 9380929 PFCILNSIPYTGJL-SFHVURJKSA-N 425.507 2.698 0 40 IFAB CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCC1 9440806 IUVODXXFZALXOW-UHFFFAOYSA-N 443.997 2.954 0 40 IFAB O=C(CSCc1cc(=O)n2c3c(sc2n1)CCCC3)NCc1ccc2c(c1)OCO2 9487023 WQSVIXZBAFNSEC-UHFFFAOYSA-N 443.550 2.913 0 40 IFAB COc1ccc(CN2C(=O)[C@@](NC(=O)CCc3ccccc3)(C(F)(F)F)N=C2O)cc1 9575883 PHLSDNWNSVMFRO-FQEVSTJZSA-N 435.402 2.959 0 40 IFAB CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)Nc2ccccc2)C(=O)N(C)C1=O 9974218 WYWXYVJRRHIRMF-UHFFFAOYSA-N 442.472 2.872 0 40 IFAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 11024049 ASSXKPIYRCOYGI-UHFFFAOYSA-N 447.930 2.814 0 40 IFAB O=c1ccc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 11744838 DATKCRKASMVXIJ-UHFFFAOYSA-N 432.505 2.951 0 40 IFAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CC[C@H](c4ccccc4)C3)CC2)Oc2ccccc21 12086269 UVWSGQKARWMQPE-DFBJGRDBSA-N 433.508 2.534 0 40 IFAB Cc1ncc(-c2ccncc2)c(CN(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)n1 12088876 UNCOGLJILFAZLM-UHFFFAOYSA-N 441.538 2.581 0 40 IFAB C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1N1CCCCC1 12561653 RSLZKFNLSSWCQJ-KRWDZBQOSA-N 430.574 2.783 0 40 IFAB C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CC(=O)Nc2ccccc21 12746781 PYBRLWFOCIUAQR-HNNXBMFYSA-N 430.464 2.892 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 12873561 GPFCCOQDLJTLFL-CMDGGOBGSA-N 428.510 2.701 0 40 IFAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 12941869 QLKKGIJORADTNE-LUKYLMHMSA-N 432.517 2.778 0 40 IFAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2N(C)C)cc1 13893538 SKSLYUVPTZQWPF-SFHVURJKSA-N 428.514 2.511 0 40 IFAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1nc(Cl)ccc1Cl 14122212 YEZHFCDEQXADIN-UHFFFAOYSA-N 434.276 2.801 0 40 IFAB O=C(CCSc1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14196996 SSOPQVIETAOGBZ-UHFFFAOYSA-N 426.510 2.980 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)Cc5ccc(F)cc5)CC4)ncnc32)cc1 15883984 CWLUMXYIDLTWCF-UHFFFAOYSA-N 431.475 2.549 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)C1=O 15951974 PJCOAICJNSQOAG-DEOSSOPVSA-N 436.512 2.558 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)c3nn(C)c(=O)c4ccccc34)CC1)CC2=O 19288466 JUEAQMCIAJNDKQ-UHFFFAOYSA-N 433.464 2.582 0 40 IFAB COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc2C1 19568180 XRFCHNDZKSXXED-QHCPKHFHSA-N 444.539 2.926 0 40 IFAB COc1ccc(CCC(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19692772 KBXHJHRYUIRVKV-OAQYLSRUSA-N 448.527 2.541 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3snnc3C)CCO2)cc1 19693734 IXMLOLQDNMNFIJ-KRWDZBQOSA-N 440.529 2.592 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1nccc3ccccc13)C2 19708871 LJFJCGKKQGBLTM-SFHVURJKSA-N 444.539 2.991 0 40 IFAB CNc1nc(C2CCN(Cc3c(OC)cccc3OC)CC2)nc2c1CCN(C(C)=O)C2 19710954 RNVGOHYCQXPPAJ-UHFFFAOYSA-N 439.560 2.820 0 40 IFAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2ccncc2)CC1 19753724 PICSLDNICBFHNV-UHFFFAOYSA-N 447.539 2.849 0 40 IFAB O=C(COC(=O)Cc1ccc(OC(F)F)cc1)Nc1ccc(CN2CCOCC2)cc1 21912133 FPIWNMRDKVNFEM-UHFFFAOYSA-N 434.439 2.845 0 40 IFAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)N1CCc2ccccc2C1 23142168 WHHQHWQWWBPBCZ-UHFFFAOYSA-N 436.537 2.669 0 40 IFAB CCCn1c(COC(=O)Cc2csc(C)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 23274321 MKKIKQKVUGGSBQ-UHFFFAOYSA-N 436.559 2.747 0 40 IFAB COC(=O)c1occc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 24888300 DCGBEBMOOVHJJS-HNNXBMFYSA-N 429.878 2.766 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 25808032 YICWEQAQCALBFD-HSZRJFAPSA-N 441.484 2.898 0 40 IFAB O=C(NCCN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1)c1ccco1 26864481 XHGGIGWTBGIDJD-UHFFFAOYSA-N 430.555 2.581 0 40 IFAB Cc1c(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 30515670 BDIVVWIXKHSHRW-MRXNPFEDSA-N 425.455 2.681 0 40 IFAB CCn1nnc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)n1 32126242 RLYOYSQMIRWMCO-SNAWJCMRSA-N 431.088 2.879 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 34807834 UURSGXAWWOJNMB-NSHDSACASA-N 425.894 2.613 0 40 IFAB Cc1nc2ccccc2nc1N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(CO)ccc23)CC1 36358930 GMQGCSFDNVPKSK-JOCHJYFZSA-N 431.496 2.860 0 40 IFAB Cc1ccc(N2CCN(C(=O)c3cn(-c4cc(N5CCCCC5)ncn4)cn3)CC2)cc1 49411193 CSQMXFHPSXAHAG-UHFFFAOYSA-N 431.544 2.923 0 40 IFAB Cn1ccnc1COc1ccc(CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 59421056 CHVXTPOVBDWPKC-QHCPKHFHSA-N 448.523 2.626 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(=O)OC)cc4)ncn3n2)cc1 67208887 VFQQCCOJGKPLPE-UHFFFAOYSA-N 431.452 2.546 0 40 IFAB CO[C@@H]1CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)[C@@H]1O 67902814 VMCFTVWDHVWSOB-VQDQHZIESA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccc(CN2C(=O)CSC2=O)cc1 70019435 SJQLWYLXOVGEGZ-UHFFFAOYSA-N 446.550 2.868 0 40 IFAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 71279797 FZRIUXRLGKDXKO-KBPBESRZSA-N 435.502 2.701 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 72328033 FCLHNPCGOMPNIA-PDOGEWKWSA-N 427.545 2.597 0 40 IFAB NC(=O)C1CCN(c2nc(-c3ccccn3)nc3c2CCN(Cc2ccccc2)C3)CC1 72337414 HZEXULIMFYVGQK-UHFFFAOYSA-N 428.540 2.799 0 40 IFAB CC(=O)N1CSC[C@@H]1C(=O)N1CCC(c2nc(C)c(-c3ccnc(C)n3)s2)CC1 72340159 VOZSOWVLVWKDKZ-QGZVFWFLSA-N 431.587 2.844 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(N)nc4)C3)c2)cn1 72353701 BNCDTDCQAWHVPZ-GOSISDBHSA-N 430.512 2.809 0 40 IFAB CCc1ccc(N2CCC(NC3CN(S(=O)(=O)c4ccc(OC)cc4)C3)CC2)cc1 97095485 VEDCBQPQIXSFSP-UHFFFAOYSA-N 429.586 2.889 0 40 IFAB C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 103266923 XSUFDSFPXMQTHC-IACUBPJLSA-N 425.466 2.817 0 40 IFAB CC(C)C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 104207315 ZCHUQDGMAGXSQB-VSZNYVQBSA-N 444.532 2.700 0 40 IFAB C[C@@H]1[C@@H](NC(=O)NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)CCC[C@H]1C 105546740 JWNYPAGYDVUNPH-VYDXJSESSA-N 431.562 2.557 0 40 IFAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(C)(=O)=O)cc1 219140179 KECHEXNODRGUID-LJQANCHMSA-N 428.510 2.734 0 40 IFAB CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220501747 RTKIFQPBGFKFCL-IBGZPJMESA-N 434.558 2.916 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccccc1F)S(C)(=O)=O 220592281 MRMWITPQPGJSNI-SFHVURJKSA-N 437.512 2.858 0 40 IFAB COc1ccc(CCCNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 222594722 YRUSBBJIPNAIMH-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC(=O)Nc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 223277057 OSJRBPPAPUIDSS-UHFFFAOYSA-N 431.499 2.858 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 223841495 KPCBEUGHTZHQGE-UHFFFAOYSA-N 441.845 2.501 0 40 IFAB CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)ccc1OC 223853585 NOABJMGBGGRILJ-UHFFFAOYSA-N 434.514 2.708 0 40 IFAB COc1ccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224009691 QMMQBFUPEDEPLF-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224106435 XCZRCJVOLSIQDZ-OAQYLSRUSA-N 445.585 2.705 0 40 IFAB CCOc1cccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3CC)S(C)(=O)=O)c1 225104370 GPFXHNOCBLMDNZ-UHFFFAOYSA-N 449.554 2.886 0 40 IFAB CC1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 225562268 ZRJBZFWVYNESJZ-LJQANCHMSA-N 430.526 2.740 0 40 IFAB Cc1ncsc1CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 306132168 LAPXEBKOFGIQSF-ROUUACIJSA-N 442.566 2.683 0 40 IFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 409067761 RBSQTSXDMMLSEQ-UGZWPXFQSA-N 444.259 2.510 0 40 IFAB NC(=O)CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 537914535 HWDWUZUTZJKAMF-OOTRUBSTSA-N 425.573 2.702 0 40 IFAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3ccccc3F)CC1)CC(=O)N2CC1CC1 1772596418 FVUBAXMTNPOEBU-UHFFFAOYSA-N 432.521 2.657 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 627804 GCSRYIUBFIRDKF-LUDQZLGDSA-N 434.517 2.807 0 40 IFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)n2N)c1 2399426 HWHOAQOMOPCDCL-UHFFFAOYSA-N 427.486 2.575 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3486998 DRBFPFBSYPAYKT-UHFFFAOYSA-N 446.550 2.544 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)O 3782895 FTYVYAGWBXTWTN-ZVZYQTTQSA-N 449.573 2.875 0 40 IFAB investigational Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6300137 GRKXAVDYTGBOHA-BQHJZSHBSA-N 433.512 2.659 0 40 IFAB COc1ccc(CCNC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 8765045 VCWWWLCRSVSTCC-QFIPXVFZSA-N 448.523 2.779 0 40 IFAB biogenic C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 8772357 WWIVNMYYXVGIMV-IVCQMTBJSA-N 433.508 2.972 0 40 IFAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 9126278 XZKKVDZEBCKMDO-KRWDZBQOSA-N 427.551 2.935 0 40 IFAB COc1ccc(C(=O)N[C@H](C)c2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)cc1 9263350 SJAQQUNFTXYADC-VXGBXAGGSA-N 446.558 2.891 0 40 IFAB COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 9306268 AETJOYCYSYABOQ-OALUTQOASA-N 446.550 2.513 0 40 IFAB Cc1ccc(-n2cnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Cl 9335903 XQPGMPHSGYSGTK-UHFFFAOYSA-N 448.936 2.607 0 40 IFAB CCN(CC)CCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 9669550 PIIWHCBSXSQKBT-QGZVFWFLSA-N 432.590 2.516 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC2CCCCCC2)cc1 9745135 CCGBFMKABAZRBJ-HXUWFJFHSA-N 449.617 2.884 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)NCc1ccc(F)cc1 9761856 HIPHKLPHZIFVPR-UHFFFAOYSA-N 439.443 2.552 0 40 IFAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cn1 9983292 ZKSBMDNRQWLLPO-STQMWFEESA-N 439.921 2.794 0 40 IFAB CN(C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCCO3 10066034 ZBFWJNXIYNHDKD-LJQANCHMSA-N 441.509 2.802 0 40 IFAB CC(=O)N[C@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 10139231 CBMPCFOWIRPKFX-QGZVFWFLSA-N 443.525 2.921 0 40 IFAB C[C@@H]1C[C@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 10219677 WWDUYCDOJXDBMC-CABCVRRESA-N 444.557 2.570 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)cc1C 10301417 TYANLKSNLWJWEO-UHFFFAOYSA-N 449.548 2.502 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)N[C@@H]1c1ccccc1 10433679 YUBGJLRDZKFCHN-LJQANCHMSA-N 432.473 2.779 0 40 IFAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2ccsc2)CC1 12599380 DMFGWJQKQWLQDE-UHFFFAOYSA-N 445.566 2.778 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 12893975 UWTPQYVWRGTCAD-DVECYGJZSA-N 437.496 2.835 0 40 IFAB CN(C)[C@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)c1ccccc1 12951065 IQXVPCMPQCYJEL-MRXNPFEDSA-N 442.610 2.995 0 40 IFAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14094544 AIJQAVQLMYXYOL-MRXNPFEDSA-N 428.492 2.782 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14242842 AHXAFGZPDGRFGY-HKUYNNGSSA-N 425.554 2.985 0 40 IFAB C[C@@H](CNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 15081315 LENCUNYTTMYRJV-QOUGREHBSA-N 432.586 2.942 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3)c2)CC1 16028024 NDVRXUSYEDJQPJ-UHFFFAOYSA-N 438.347 2.638 0 40 IFAB CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 17532218 VSWLXCJCOSQEAA-CQSZACIVSA-N 438.933 2.842 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC1)CC2=O 19562960 ZFCCJPVWEFAPNK-UHFFFAOYSA-N 433.464 2.501 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19580094 FHOPQEAIWOIWTL-QHCPKHFHSA-N 436.537 2.662 0 40 IFAB COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 19593939 XQRZJXSPBRZVBM-NRFANRHFSA-N 426.952 2.880 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(c2cc(C)nc(C)n2)CCO1 19702730 LSIQBMPCAFQCFM-MRXNPFEDSA-N 427.530 2.657 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F 19713169 UPWZFYUCSGIXNI-RBUKOAKNSA-N 434.537 2.900 0 40 IFAB Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1 19809705 BRIZFWLVGJSKAH-UHFFFAOYSA-N 427.574 2.821 0 40 IFAB CCCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O 26533948 AOJCPJIMKDCIHR-XSFVSMFZSA-N 437.496 2.968 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Cn3ccnc3)c2)c1 32933186 QPGFJTBLSNWUJH-UHFFFAOYSA-N 428.514 2.920 0 40 IFAB Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)o1 36360616 BFVKOKVWNHWXPK-SFHVURJKSA-N 431.510 2.909 0 40 IFAB O=C(c1cnccn1)N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1 36716013 NIKVBLLCLZXUJO-UHFFFAOYSA-N 448.346 2.828 0 40 IFAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)Nc2cnccn2)CC1 40151451 FTZHELBJDKQHTL-CYBMUJFWSA-N 432.322 2.917 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 49581398 BSBGLCWNHOPRMC-HSZRJFAPSA-N 449.551 2.542 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)cc1 67288828 KCDFRMSTYYUVHO-JOCHJYFZSA-N 435.480 2.506 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3cccnc3)n2C)cc1 72191633 QWELFYLHYFFNGH-CYBMUJFWSA-N 426.502 2.519 0 40 IFAB CSc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3nccs3)n2C)c1 72191888 JKVJAPRHNBTQMO-UHFFFAOYSA-N 434.572 2.906 0 40 IFAB O=C([C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1)N1CCC(Cc2ccccc2)CC1 96105245 KOYICMSQQIHUCY-OAQYLSRUSA-N 431.544 2.755 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 138597847 VCNDFULHTLFTBR-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB COc1ccc(-c2noc(CNC(=O)CCc3ccc4c(c3)OCCO4)n2)c(OC)c1 222646839 OTOKGFUJUMWKGV-UHFFFAOYSA-N 425.441 2.774 0 40 IFAB COc1ccccc1OCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 224890262 KWXWOYDGNSDYFF-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c1 225059682 LDRLVLVMURUQEF-UHFFFAOYSA-N 449.554 2.792 0 40 IFAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc(C)ccc1C)S(C)(=O)=O 225275067 BBUHURWSHLALTB-QZTJIDSGSA-N 432.542 2.804 0 40 IFAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 253397026 FHWOOTVHCNVDGV-IBGZPJMESA-N 446.548 2.827 0 40 IFAB biogenic,in-vitro O=C(NC[C@H]1CC[C@]2(COCCN(c3ccncn3)C2)O1)c1ccc(Cl)c(Cl)c1 306130136 IXFMEODHIWYKLF-QRWLVFNGSA-N 437.327 2.968 0 40 IFAB Cc1nc(CN2CCC[C@]3(CN(C(=O)c4ccco4)C[C@H]3c3ccnn3C)C2=O)cs1 306133623 MRGYHGGPZVTOEM-HTAPYJJXSA-N 439.541 2.827 0 40 IFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(OC(=O)c2cccs2)cc1 408656339 HPIPZTZYBPCXIH-QJKRXZCLSA-N 426.446 2.891 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 409145192 NBCSLRGODUSFPW-UHFFFAOYSA-N 441.303 2.543 0 40 IFAB CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCC(=O)OC)cc2Br)C1=O 409228028 SSGIZMLJBPKRIY-NTUHNPAUSA-N 441.278 2.702 0 40 IFAB O=C(c1cccc(Nc2ncccn2)c1)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 585261876 GYHDOAKZLBXIQL-VXKWHMMOSA-N 443.507 2.515 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)C(C)(C)OC)CCO2)C1=O 643556601 MEKPWLLICDZEBV-XMMPIXPASA-N 432.561 2.663 0 40 IFAB O=C1CN(C(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)Cc2ccccc2N1 1679960846 WFPQSRZXTQTRAG-OAHLLOKOSA-N 432.402 2.975 0 40 IFAB Cc1cc(C)n2c(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)nnc2n1 2627180 PPFDNVAHNVPQOR-VIFPVBQESA-N 430.559 2.757 0 40 IFAB C/C=C/c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1 3429070 UIDHIMJCYWOEAA-XVNBXDOJSA-N 430.526 2.640 0 40 IFAB CN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9111695 DYFAISJBKJQEGJ-UHFFFAOYSA-N 449.598 2.641 0 40 IFAB C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9307924 GZBFPWVADDGCDT-LJQANCHMSA-N 443.551 2.838 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)n2)cc1 9378867 OMZPGDGQIWSNCM-XMMPIXPASA-N 443.511 2.962 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)NCCc1ccccc1 9518632 FDMCZUYVKYAQPE-UHFFFAOYSA-N 432.452 2.729 0 40 IFAB COc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1 9568993 OIPLCAQGLBKYQV-UHFFFAOYSA-N 439.472 2.903 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@@H]21 9675216 LICGIZAKOGILKS-IAGOWNOFSA-N 433.802 2.859 0 40 IFAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 9716482 VOZBRWZMFIELAY-UHFFFAOYSA-N 446.511 2.619 0 40 IFAB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccnc1)c1ccccc1 10004271 SCJFOLQRKMISSY-RTBURBONSA-N 434.404 2.556 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 10272384 NHNRVUDGOFAJBF-MSOLQXFVSA-N 427.848 2.589 0 40 IFAB COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)cc3OC)nn2)cc1 10324573 KYHKGHBWKVVXPS-UHFFFAOYSA-N 445.497 2.527 0 40 IFAB O=C(CSC1=NCCS1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 10863317 GJBYPYGNHATEKX-UHFFFAOYSA-N 435.596 2.509 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 11216099 VIIIVXWVSLOVFB-OAHLLOKOSA-N 431.514 2.654 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)c(Cl)c1 12360174 UQHVBCOWKLDEIS-UHFFFAOYSA-N 443.862 2.905 0 40 IFAB biogenic,in-vitro O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(C(=O)N2CCCCC2)CC1 12542470 ZNVIGNZMPKWWNK-UHFFFAOYSA-N 428.558 2.700 0 40 IFAB CN(CC(=O)N1CCOCC1)C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 12740392 QQMQCDKTEAHOEG-UHFFFAOYSA-N 446.479 2.810 0 40 IFAB CCCCN(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 13055776 ZKJBEYQNJZIXBI-HNNXBMFYSA-N 437.514 2.552 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 13400816 VELFLYBNDMTWJG-XUDLPTGHSA-N 448.431 2.591 0 40 IFAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 13502924 ZXZUFOOSXKTKSJ-LJQANCHMSA-N 449.573 2.588 0 40 IFAB CC(C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179752 LGAHRWSAFSVFDC-UHFFFAOYSA-N 426.542 2.603 0 40 IFAB C[C@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1cccc(Cl)c1Cl 17598909 CAJDKTOMMYALFT-JTQLQIEISA-N 430.288 2.974 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[nH]c(=O)c2C1 19239466 JISJDTQWXUEIJY-UTKZUKDTSA-N 447.539 2.692 0 40 IFAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(F)cc2)cc(=O)[nH]1 19285180 LIXDQWBFOHWRHE-HXUWFJFHSA-N 426.473 2.961 0 40 IFAB CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(O)n4n3)CN(C(C)C)CC5)CC2)on1 19522717 TWTSRPPSEWCBRT-UHFFFAOYSA-N 438.532 2.772 0 40 IFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)C1 19561321 YZDFTJASBKQAQH-DLBZAZTESA-N 433.574 2.634 0 40 IFAB COCCOc1ccc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19695077 OYCZDSWFODBVOB-SFHVURJKSA-N 448.527 2.655 0 40 IFAB COC(=O)c1sc(NC(=O)COC(=O)CCc2ccccc2OC)c(C(=O)OC)c1C 21548890 YPXYJJXMEIQEPT-UHFFFAOYSA-N 449.481 2.753 0 40 IFAB C[C@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)C[C@@H](C)O1 22767989 VKKSFYXICDLINX-OKILXGFUSA-N 441.919 2.749 0 40 IFAB Cc1cc(CN2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2)no1 22781746 WJMOXMBFGXMHCQ-UHFFFAOYSA-N 433.512 2.992 0 40 IFAB C[C@@H](C(=O)N1CCCCC1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22934016 DKYKRGNRCLUNAJ-INIZCTEOSA-N 426.483 2.663 0 40 IFAB COc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C(F)(F)F)nn1 24049567 FWHBSXVVYWALFF-UHFFFAOYSA-N 446.433 2.648 0 40 IFAB Cn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)cn1 25305869 JZPARBNKWLXEPB-UHFFFAOYSA-N 428.470 2.635 0 40 IFAB NS(=O)(=O)Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 25612658 IFGAMUSZMYENCH-UHFFFAOYSA-N 425.495 2.794 0 40 IFAB O=C(Nc1ccc(N2CCCCC2)nc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 32826796 SLACCTBFTFRJIE-UHFFFAOYSA-N 429.546 2.506 0 40 IFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 32865611 KYTQUZPEDKVVAX-QFIPXVFZSA-N 427.508 2.871 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)N(S(C)(=O)=O)CC2 35313451 DYSZEUOMKAKPRY-OAQYLSRUSA-N 428.510 2.761 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCn2ncc3c(N4CCCCCC4)ncnc32)c1 35598424 AIWBYCIOXSKYJH-UHFFFAOYSA-N 428.562 2.802 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(SCCOc3ccccc3Cl)nc2)CC1 36384673 XAKYLOCXWBGFQN-UHFFFAOYSA-N 427.979 2.842 0 40 IFAB NC(=O)c1cn(CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c2ccccc12 48287891 GVBWAHXWHNTMHI-OAQYLSRUSA-N 440.931 2.583 0 40 IFAB Cc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)c(Cl)c1 49400283 OZLPQZVJTDJHBS-HUUCEWRRSA-N 428.924 2.974 0 40 IFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(I)cc1 58369909 ITRHSFZMVMCRCM-UHFFFAOYSA-N 447.250 2.728 0 40 IFAB O=C(CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)OCc1ccccc1 58405799 NRBKWVDXPIPETA-KRWDZBQOSA-N 431.286 2.662 0 40 IFAB Cc1nc(C)n(C[C@H]2CN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)CCO2)n1 72303621 XYEPZAKYOHVJSO-GOSISDBHSA-N 449.540 2.745 0 40 IFAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4ccncc4)nc32)c1 72380166 JAPIEZXJEVALHG-UHFFFAOYSA-N 445.523 2.983 0 40 IFAB CC1(C)NC(=O)N(CC(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)C1=O 72393465 AITJKLLWEIIKJL-UHFFFAOYSA-N 444.551 2.549 0 40 IFAB O=C(C1CCOCC1)N1CCc2nc(C3CCN(C[C@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72398753 WOQDVHYUYIPKPY-SFHVURJKSA-N 440.588 2.617 0 40 IFAB CCN1C(=O)[C@@]2(CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c2cc(C)ccc21 95473504 BESAEMGQNQDWOW-QFIPXVFZSA-N 428.456 2.800 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c1 101387430 UALHWNPGGNHCJV-SJORKVTESA-N 429.889 2.994 0 40 IFAB Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 143132030 XTNGUQKDFGDXSJ-FFYZIMEISA-N 444.524 2.968 0 40 IFAB in-vitro O=C(NCc1ccccc1-n1ccnc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 216493591 BAQNXYCYLBESRC-UHFFFAOYSA-N 438.553 2.731 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccccc1F)S(C)(=O)=O 220304035 UDHXOXFKBNAWGX-HNNXBMFYSA-N 433.505 2.855 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223028120 CWZYOUMTMUKCBA-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB CN(c1ccc(C(=O)NCCN2CCCC2=O)c(Cl)c1)S(=O)(=O)c1ccccc1 224236723 OUGCPOKSTHGGBV-UHFFFAOYSA-N 435.933 2.517 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 225209604 WFMVEBLXFOFOLK-CQSZACIVSA-N 448.495 2.930 0 40 IFAB COc1ccccc1CCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 225802981 MMWQTNJMTRQYAJ-UHFFFAOYSA-N 434.558 2.636 0 40 IFAB CCN1CCN(c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c(N)cc2C)CC1 226331170 KDISLZGMYFSTQD-UHFFFAOYSA-N 428.533 2.997 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)nc(O)c2C1 253598481 CCHYIZACWYYFQG-QZTJIDSGSA-N 428.558 2.953 0 40 IFAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257209850 BSEABLRLPDMZTO-JOCHJYFZSA-N 431.487 2.935 0 40 IFAB CNc1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)ccn1 257219520 DHBLRWNECWHTJH-HXUWFJFHSA-N 443.454 2.960 0 40 IFAB CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 257249406 JIEYCMJSDNDCOQ-UHFFFAOYSA-N 427.448 2.576 0 40 IFAB CNC(=O)c1cccc([C@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CCN2C)c1 257257531 KQAVWZISKVZGKN-HSZRJFAPSA-N 435.568 2.901 0 40 IFAB CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408701215 ULOUEDOMYFBHKR-GOSISDBHSA-N 426.579 2.762 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 409349778 WGEOFFQAKNERHK-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB O=C1C[C@H](c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)N2NC=NC2=N1 409375244 HRECTKWPLGOZHD-OAHLLOKOSA-N 431.374 2.899 0 40 IFAB COCCN1C(=O)CCC[C@@H]2[C@H]1CCCN2CC1(O)CCN(c2cccc(C)c2)CC1 585283923 PSHFFIKECJMXNP-DHIUTWEWSA-N 429.605 2.818 0 40 IFAB COCC(=O)Oc1cc(OC(=O)COC)c2c(=O)c(-c3ccc(OC)cc3)coc2c1 725397043 HONFWRQZIBSWLE-UHFFFAOYSA-N 428.393 2.572 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1Cl 6090184 MJLSBBVNEWXREC-UHFFFAOYSA-N 437.949 2.851 0 40 IFAB COc1cc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C(C(N)=O)=C(C)N3)cc(OC)c1OC 8589944 PQMNSEXBTSSKCD-GOSISDBHSA-N 439.447 2.884 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 8720168 RGWZXQZHAFRFHM-BVZFJXPGSA-N 445.523 2.993 0 40 IFAB O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NC(=O)NC1CCCCC1 8825368 XMLUDQMLOZBKOT-UHFFFAOYSA-N 449.935 2.894 0 40 IFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cccc(OC)c1OC 8940403 VOLJUGQYTPNJCN-UHFFFAOYSA-N 430.534 2.817 0 40 IFAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC[C@@H]1COc2ccccc2O1 9222143 XDQAQGLYVNJOEZ-MRXNPFEDSA-N 433.493 2.864 0 40 IFAB COc1ccc(-n2cnnc2SCC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 9283151 VBVQMKMFIOSENA-UHFFFAOYSA-N 432.527 2.501 0 40 IFAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9549112 KTOLSWQICZMFBR-OAHLLOKOSA-N 442.497 2.927 0 40 IFAB CCc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)ccc2OC)c1N 9677962 DGBRCLCTWSCFIO-UHFFFAOYSA-N 428.880 2.976 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(C)cc3C)n2)cc1 9844737 ZZYWCRPKRMJMMQ-UHFFFAOYSA-N 427.526 2.904 0 40 IFAB CCNC(=O)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 9865169 SHXFSHMFUVKEMR-GFCCVEGCSA-N 443.447 2.761 0 40 IFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc2c(c1)OCO2 10131925 BTWPRQYXFVAHAZ-UHFFFAOYSA-N 442.269 2.718 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 11666415 BBJMHCLDXFVFRR-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1 12348076 HDFUTZAZFRNERV-UHFFFAOYSA-N 429.933 2.890 0 40 IFAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12556341 SMEKTKUPEWDDQO-UHFFFAOYSA-N 446.529 2.821 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c(Br)c1 12757326 BADJFPQMSMGVGL-UHFFFAOYSA-N 430.258 2.800 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1 12763019 SZPYFDVORBQFBT-UHFFFAOYSA-N 425.510 2.826 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2OC)cc1Cl 12843620 WXRSLSGPVXBCMB-ZDUSSCGKSA-N 426.922 2.731 0 40 IFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 13987927 ZYRJRVZXDQAKNB-UHFFFAOYSA-N 436.556 2.994 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 14084272 HITZRSODGAMSMN-JOCHJYFZSA-N 445.560 2.891 0 40 IFAB COc1ccc2oc(C(=O)OCC(=O)NCC(=O)Nc3cc(C)ccc3OC)c(C)c2c1 14141281 JVZSXAIBWUTRPA-UHFFFAOYSA-N 440.452 2.979 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCOCC2)cc1 14158493 MONZIPCXPYLJQP-IBGZPJMESA-N 427.526 2.543 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)on1 19118762 CPQQYKGTNFFAGH-LJQANCHMSA-N 448.575 2.983 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cn1 19525034 NOQZNBVFCVVAFF-KRWDZBQOSA-N 449.577 2.769 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527456 CXOUSVXKMCQSRP-IRLDBZIGSA-N 437.515 2.621 0 40 IFAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H](C)N2CCCC2=O)C1 19528770 ORXTWQHVOSEYEF-NIYFSFCBSA-N 448.567 2.657 0 40 IFAB Cc1nc(NC(=O)CCC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)sc1C 19560794 OCJALKLUEPRCOR-UHFFFAOYSA-N 427.530 2.653 0 40 IFAB COc1cccc(OC)c1OCC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 19568226 UTLWGFSFXRPZGL-BXKMTCNYSA-N 442.487 2.887 0 40 IFAB COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4ccccn4)C3)nc(O)c2C1 19570606 UFGZFMLEYUQMRY-SFHVURJKSA-N 445.523 2.774 0 40 IFAB COc1ccccc1NC(=O)[C@H]1CN(C(=O)c2cn3ccc(C)cc3n2)Cc2cn(C)nc21 19701599 ZCBYBISMIOWQOP-KRWDZBQOSA-N 444.495 2.763 0 40 IFAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CN(C(=O)CC2CCCCC2)CCO1 19703164 PHRSVCXUWGZSNR-KRWDZBQOSA-N 431.558 2.889 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 19756274 DCMYPXZWPNWYFM-OAQYLSRUSA-N 426.517 2.641 0 40 IFAB NC(=O)c1cc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)nc2ccccc12 19762881 YQSXSXMHMHZUSZ-LJQANCHMSA-N 431.901 2.749 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)c2ccnn2C)ncc1C(=O)NCc1ccc(F)cc1 19764411 XWXYNHXJWDIMRO-LJQANCHMSA-N 436.491 2.955 0 40 IFAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)cc1OC)C3 19816938 MGNWIIHOPLLCSZ-LBPRGKRZSA-N 442.497 2.709 0 40 IFAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NCc1ccccc1 22807551 ZLZSZNMSNXBPIH-UHFFFAOYSA-N 447.535 2.653 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc2c(c1)CCCC2 23224475 RZJLCATWPWVLQH-UHFFFAOYSA-N 444.553 2.776 0 40 IFAB C[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 25339139 BBSMPINLNMSYNB-WXHSDQCUSA-N 444.841 2.622 0 40 IFAB Cc1cc2oc(=O)cc(CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c2cc1C 25404624 QOEGHHPWTIFKRG-HSZRJFAPSA-N 434.492 2.894 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](c3ccc(OC)cc3)c3nccn3C)ccc21 29132731 YZECMQLFXUINGQ-NRFANRHFSA-N 431.496 2.986 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccnc(N4CCCC4)c3)C2)s1 29559206 UNYDSEPDFXLLON-GOSISDBHSA-N 448.614 2.769 0 40 IFAB COc1ccccc1CCNC(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325371 TUMHMJIHMZJFKR-MRXNPFEDSA-N 445.566 2.952 0 40 IFAB Cc1ccc(S(=O)(=O)NCCn2ncc3c(NCCc4ccccc4)ncnc32)cc1 35598429 XXLXVQWUZWBFTH-UHFFFAOYSA-N 436.541 2.768 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccc(F)cc3)CC2)c1 39448987 WIVINMZMEWHACM-UHFFFAOYSA-N 432.517 2.939 0 40 IFAB CCc1sc2nc(N3CCN(CC(=O)Nc4ccccc4)CC3)n3ncnc3c2c1C 57151554 ATLPWCFMLWEBDW-UHFFFAOYSA-N 435.557 2.971 0 40 IFAB COC(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc(C(=O)OC)c1 57412944 DIYYXYGAMBTVRX-UHFFFAOYSA-N 439.424 2.919 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@@H]1c1cccs1 57415942 FKGRFKQHLVGHOO-OAQYLSRUSA-N 440.569 2.968 0 40 IFAB Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)c(O)c1 57988042 XNKQPHMOILXSSW-FQEVSTJZSA-N 434.514 2.804 0 40 IFAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(I)cc1 57999788 DNHNPMXNSOZMRT-UHFFFAOYSA-N 437.281 2.758 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)C3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@H](C)O1 58416139 RJSRFNXBYRYRMM-GJZGRUSLSA-N 427.542 2.630 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCCCCCCOC2=NS(=O)(=O)c3ccccc32)cc1 59417241 UUJFHLCXNDABPP-UHFFFAOYSA-N 443.525 2.776 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(OC)c(OC)c4)c(=O)n3c(C)n2)cc1 67226563 SCTNOUSQVOUSGA-UHFFFAOYSA-N 449.467 2.531 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2C)cc1 67322792 UNNLCCOSIAIMTK-UHFFFAOYSA-N 429.383 2.542 0 40 IFAB COc1cccc(N2CCN(c3ncc(S(=O)(=O)c4ccc(C)cc4)c(N)n3)CC2)c1 67336183 KPOWVFSPAMDHFK-UHFFFAOYSA-N 439.541 2.535 0 40 IFAB COc1cc2c(=O)n(CCO)c(=O)n(Cc3c(Cl)cccc3Cl)c2cc1OC 71279581 DHYNGVAHYJAHNA-UHFFFAOYSA-N 425.268 2.528 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340230 VMBYJNSRPKZUTG-JXALWOEJSA-N 430.520 2.940 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(OC)c1 79112508 ZDHWEBVWVVLVQN-LJQANCHMSA-N 437.543 2.568 0 40 IFAB COc1ccc2c(ccn2CCNC(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)c1 95478736 YMNRFLKDCORMEU-HXUWFJFHSA-N 434.496 2.524 0 40 IFAB O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)cc2C1 96025701 YBGBPYJREVYJQG-UHFFFAOYSA-N 439.449 2.713 0 40 IFAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(Cc2nccs2)CC3)C1=O 96036462 NLNQDLQYLQRAHN-QHCPKHFHSA-N 425.602 2.875 0 40 IFAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 96052920 AVAURYOKNZWZGS-FQEVSTJZSA-N 427.589 2.529 0 40 IFAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccccc4)cc32)n1 96267826 YUWWSXFESQWUPZ-LJQANCHMSA-N 439.541 2.701 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)C(=O)c1ccc(F)cc1 96518561 SAKZLBJOTRRFJT-SNVBAGLBSA-N 435.052 2.927 0 40 IFAB CCCSc1ncc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 100738346 FASPYWQOXMLHPS-OALUTQOASA-N 441.601 2.971 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)cc1 101166185 YHWMJHFWDAQQJZ-ZWKOTPCHSA-N 427.848 2.671 0 40 IFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 101716821 NBGBHYQDHLNULT-HUUCEWRRSA-N 427.328 2.880 0 40 IFAB COc1ccc(CN(C)C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222669216 DYDMZJWMKNYSGT-UHFFFAOYSA-N 448.541 2.671 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2)CC1 223216251 WAMBEZOTFOKPRD-OAQYLSRUSA-N 431.558 2.589 0 40 IFAB CN1CCC(Oc2ccc(NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 224542658 JCDFHXPDQKAYLQ-UHFFFAOYSA-N 449.548 2.699 0 40 IFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n[nH]1 225563792 UALAGNPYQJVDJS-UHFFFAOYSA-N 428.386 2.626 0 40 IFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CCOc1ccccc1C)CC2 257300308 RTUMAXHZMCREIT-SFHVURJKSA-N 437.544 2.516 0 40 IFAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257316243 VETGXGIKTWNMFH-LJQANCHMSA-N 442.969 2.645 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 260848573 NHIZASZYGWYZKF-QGZVFWFLSA-N 429.325 2.879 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3ccc4c(c3)OCO4)C[C@H]2c2cn(C(C)C)cn2)C1=O 306144414 ZEPCGEWVVUXWIX-CYFREDJKSA-N 440.544 2.657 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147571 YWWKCXZRMKGIEC-QHCPKHFHSA-N 431.492 2.989 0 40 IFAB Cc1cc(Nc2cnccn2)nc([C@H]2CCCCN2C(=O)/C=C/c2c(C)nn(C)c2C)n1 585292025 IOBGAERAKKRADB-CSHXORCISA-N 432.532 3.436 0 40 IFAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888863877 SPQKDXGODULETL-KBPBESRZSA-N 439.459 2.712 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 687755 NNHFOGDZZZRVAS-UHFFFAOYSA-N 427.998 2.891 0 40 IFAB COC(=O)[C@H](C(=O)C(=O)Nc1nc2ccc(OC)cc2s1)c1cnc2ccccc2n1 1629327 CSKSCPISDXDWDO-KRWDZBQOSA-N 436.449 2.713 0 40 IFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cccc(I)c1 3353648 IUUFAVHYDPGVTO-UHFFFAOYSA-N 441.269 2.875 0 40 IFAB Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 4093540 HLQQCHRMSZZLHJ-UHFFFAOYSA-N 436.535 2.865 0 40 IFAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21 6578145 ZRFOJDLEAADXLA-UHFFFAOYSA-N 437.550 2.921 0 40 IFAB aggregator CCOC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 9206853 UWBXLNCGDWTCME-GFCCVEGCSA-N 426.498 2.793 0 40 IFAB CN(C)c1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 9302687 RHJKRDYFRDRJGQ-QHCPKHFHSA-N 430.508 2.891 0 40 IFAB CCc1ccc([C@H]2C(C(=O)OCCOC)=C(C)Nc3nc(SCC(=O)OC)nn32)cc1 9427252 PBIAKSRECAGQCC-SFHVURJKSA-N 446.529 2.584 0 40 IFAB Cn1c(=O)c2sc3c(c2n(CC(=O)Nc2ccccc2Cl)c1=O)COC(C)(C)C3 9435290 YNZRRWBGVATNKL-UHFFFAOYSA-N 433.917 2.905 0 40 IFAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 9634939 QTGSGPCILRLPJV-OAHLLOKOSA-N 436.555 2.649 0 40 IFAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9725946 GOZHCWSXQBGLOC-UHFFFAOYSA-N 449.617 2.626 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)cc2F)NC(=O)N[C@H]1c1ccccc1 9777494 HZMINWVWKIVQSS-IBGZPJMESA-N 428.416 2.862 0 40 IFAB O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9796058 YLWCTVPRJLMTAY-UHFFFAOYSA-N 447.601 2.928 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 9844680 YABQYFTZMZGHGZ-UHFFFAOYSA-N 431.901 2.745 0 40 IFAB COc1ccc([C@@H]2SCC(=O)N2[C@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c(OC)c1 11667044 VZOZFTFPRORIHG-ZFGLAFRWSA-N 427.526 2.929 0 40 IFAB O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)NC12CC3CC(CC(C3)C1)C2 12311534 CXQYUABTRYDXHX-UHFFFAOYSA-N 436.455 2.646 0 40 IFAB COc1ccc(C(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c1 12521476 GWUAFZYGZRBPTE-UHFFFAOYSA-N 438.402 2.925 0 40 IFAB O=C(COc1ccccc1-c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 12587394 NXPAWZSHJSIIPA-WOJBJXKFSA-N 429.538 2.927 0 40 IFAB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1 13504262 IECHAFIOSRUBDR-QHCPKHFHSA-N 436.560 2.857 0 40 IFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)OCc1nc(-c2ccc(Cl)cc2)no1 14242743 QVFROOKSHGIPFE-UHFFFAOYSA-N 427.852 2.703 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 14405340 WGYZIOKYVRMCLT-IBGZPJMESA-N 428.489 2.519 0 40 IFAB CCCCc1nn2c(=O)cc(COC(=O)c3cc(OC)c(OC)c(OC)c3)nc2s1 15734091 QKDUAGVJLWKJGA-UHFFFAOYSA-N 433.486 2.876 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 16153373 RBRGZWUNBVTNNP-UHFFFAOYSA-N 440.543 2.679 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C 16283054 SXJUWGAKJMHAGC-UHFFFAOYSA-N 442.921 2.933 0 40 IFAB O=C(N[C@@H](ON1C(=O)[C@@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 16476705 CRHXCVKJKBPJKB-HOTGVXAUSA-N 431.659 2.788 0 40 IFAB COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1OC 18107925 VZSUKHMJXSTGJB-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349313 YCPHUXWVOUQXCE-OAQYLSRUSA-N 433.487 2.840 0 40 IFAB CC(=O)Nc1ccc(OCC(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)cc1C 19570923 SAUBDXQLNZGMST-SFHVURJKSA-N 434.496 2.975 0 40 IFAB COc1cccc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)c1 19697880 JVSUXDIKDALTOU-GOSISDBHSA-N 440.521 2.846 0 40 IFAB Cn1c(=O)c2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)cnc2n(C)c1=O 22760392 FPCLNYWCFQBBDU-UHFFFAOYSA-N 447.520 2.887 0 40 IFAB O=C(Cc1cccc2ccccc12)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134546 GZNZXRBJXQSMQE-UHFFFAOYSA-N 430.487 2.842 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24613014 IAVHGNNUHZMBNS-UHFFFAOYSA-N 434.489 2.777 0 40 IFAB O=C(C[C@H](c1ccc(F)cc1)c1cc(Br)ccc1O)NCCOCCO 27578363 VDRXUKBWFLXLEI-MRXNPFEDSA-N 426.282 2.941 0 40 IFAB COC(=O)c1cccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 36851971 XXASFUZGOYFALU-UHFFFAOYSA-N 443.459 2.907 0 40 IFAB CCOC(=O)c1cn(Cc2cc(F)cc(F)c2)nc1S(=O)(=O)N1CCC[C@@H](C)C1 49402254 QGLPBJGDENBERT-CYBMUJFWSA-N 427.473 2.807 0 40 IFAB COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)c1 49406181 XGFHOOXCEUECCC-UHFFFAOYSA-N 439.903 2.964 0 40 IFAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCN3CCCS3(=O)=O)cccc2c1=O 58418360 PHAZBAFXHLQEHN-UHFFFAOYSA-N 426.494 2.534 0 40 IFAB Cc1cc(N2C[C@H](C(=O)N3CCC[C@@H](C4OCCO4)C3)CC2=O)ccc1Br 69232388 LYXIZWWAUXWTRB-HUUCEWRRSA-N 437.334 2.722 0 40 IFAB Cn1nc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(-c2ccccc2)c1=O 77100621 FHUASXLSYYVIOQ-ZDUSSCGKSA-N 438.962 2.854 0 40 IFAB Cc1cc2ncn(C[C@H](O)CNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)c2cc1C 89609006 IKQPDKSGTMTUFD-GOSISDBHSA-N 437.496 2.565 0 40 IFAB CC(C)Cc1nnc(NC(=O)CCC(=O)NCc2cccc(NC(=O)N(C)C)c2)s1 89856607 FQJWUZOCEKMRSD-UHFFFAOYSA-N 432.550 2.865 0 40 IFAB C[C@H](O)CN1CCC(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 89895894 FPRXXWSABVUMEK-GHTZIAJQSA-N 443.613 2.640 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O)NCCc1c[nH]c2ccccc12 95430260 PWVLDSIXKSYJNV-QHCPKHFHSA-N 436.899 2.874 0 40 IFAB CC(C)Cn1c(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96221544 PMHYXBYZYVTLMI-FQEVSTJZSA-N 447.539 2.882 0 40 IFAB biogenic COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 96345380 RIVLBYGYHMOBIP-VWLOTQADSA-N 441.491 2.816 0 40 IFAB CCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)c2ccccc21 101641620 QJROJJSJNZKVIF-RUZDIDTESA-N 434.540 2.886 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223660170 ZVFJKZGGOCNGLA-UHFFFAOYSA-N 434.558 2.808 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 225255446 QRWDJSQPRVPKFT-GOSISDBHSA-N 444.553 2.985 0 40 IFAB COCCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCc3ccccc3C2)n1 225897747 VQLCJHRFMSGWIB-UHFFFAOYSA-N 426.590 2.962 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)O2 260839012 GPUOYCYWVPFBET-QGZVFWFLSA-N 428.432 2.857 0 40 IFAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 260918176 LDRRJZXOJFWYJH-MAODMQOUSA-N 428.558 2.988 0 40 IFAB Cc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)ccc1NC(=O)c1ccc(Cl)cc1 408616904 BLVIOYHSRNVLJJ-UHFFFAOYSA-N 435.933 2.787 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 408618037 IXOQQAZVFDXLJF-UHFFFAOYSA-N 433.530 2.628 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408679603 OKLTWHXJRGUWIZ-UHFFFAOYSA-N 425.457 2.508 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 408701260 VBQWXCUUAOAQIL-UHFFFAOYSA-N 431.558 2.931 0 40 IFAB COc1cc(OC)c(OC)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409018510 WHSIRMNIVKNSBO-CXUHLZMHSA-N 425.441 2.552 0 40 IFAB CC(C)c1noc2ncc(C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cc12 514908353 WSRMJIYLRKPAFY-IBGZPJMESA-N 436.468 2.613 0 40 IFAB CC(C)n1c(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 604404631 GJGMXHJFKSOGMJ-IBGZPJMESA-N 433.512 2.807 0 40 IFAB biogenic COc1cc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)ccc1OCC(N)=O 1547204186 MHIYDWWHDRFBKB-NRFANRHFSA-N 446.463 2.890 0 40 IFAB CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 925843 CWTTVKWCNSBCII-UHFFFAOYSA-N 446.511 2.589 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@H]1c1ccc(Cl)cc1 2225517 UJHXXLFVTXHFBH-RDJZCZTQSA-N 430.888 2.857 0 40 IFAB O=C(OCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN1C(=O)c1cccs1 3306045 NENIYOQNRWJZNV-QGZVFWFLSA-N 426.494 2.972 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 3601498 BZXYOVZCBJERAB-QFIPXVFZSA-N 440.477 2.974 0 40 IFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 8734664 DDLBKBMVMRXEPM-UHFFFAOYSA-N 438.358 2.972 0 40 IFAB CC(C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1 9045175 ALBSMHDTCCATAY-SKPFHBQLSA-N 437.565 2.756 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9671920 WAEZIXYVDQXTBL-UHFFFAOYSA-N 436.493 2.758 0 40 IFAB COc1ccc(C(=O)N(CCN(C)C)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1 10337342 FFBZEQBOQRDICD-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)COc1ccc2ccccc2c1 10593438 ODRNEWOCGZKPEE-UHFFFAOYSA-N 436.464 2.834 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2N)cc1 10921768 QAPNFDBZNKUCFH-UHFFFAOYSA-N 433.921 2.984 0 40 IFAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(Cl)cc3Cl)=C2)cnn1C 12155055 FJZGZBYNNBJBDO-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB O=C(CSc1n[nH]c(=O)n1C1CCCCC1)NCc1ccc(N2CCCC2=O)cc1 12429209 VHDBAUCPKZUFRN-UHFFFAOYSA-N 429.546 2.612 0 40 IFAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCC4(CC3)OCCO4)c3ccccc32)cc1 12447574 UYKOOKWCPZLOFU-VWLOTQADSA-N 436.508 2.599 0 40 IFAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNCCCN1CCOCC1 12587599 FZHUJEDGLDRTFF-UHFFFAOYSA-N 435.521 2.591 0 40 IFAB CCCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 12881032 SSCZXDDUVIQZGN-UHFFFAOYSA-N 438.532 2.860 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3ccc(Br)cc3)c2c1 13006182 SJUGYQJMCYEXEW-UHFFFAOYSA-N 439.335 2.853 0 40 IFAB CC(=O)NCCc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)cc1 13017459 JPFGUZMZFARSPJ-UHFFFAOYSA-N 447.520 2.837 0 40 IFAB Nc1nc(N)nc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)n1 13120025 BUXMFYUMGOHPEZ-UHFFFAOYSA-N 444.908 2.794 0 40 IFAB COc1ccccc1-c1nnc2ccc(OCCNC(=O)c3ccc(F)c(F)c3)nn12 13525689 NUHLVWJFBASMTB-UHFFFAOYSA-N 425.395 2.887 0 40 IFAB COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 13673419 CMLTXKKLXUWOPV-UHFFFAOYSA-N 442.965 2.930 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 14313187 WZDVBRJUFZTZCL-CYBMUJFWSA-N 441.347 2.956 0 40 IFAB Cc1cc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)nc(C(C)C)n1 15033043 YXQDCELILGUATO-UHFFFAOYSA-N 437.527 2.881 0 40 IFAB O=C(Cn1nnc2ccccc2c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 15629409 FNACVONYQRBWGK-UHFFFAOYSA-N 439.519 2.725 0 40 IFAB COc1ccccc1C(=O)Oc1coc(CSc2nnc(NC(C)=O)s2)cc1=O 16047719 LSDCKNZLZKRZKZ-UHFFFAOYSA-N 433.467 2.970 0 40 IFAB COc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)c(OC)cc1Cl 16188056 BPTNGLYGVKFJIQ-UHFFFAOYSA-N 446.884 2.764 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 19293724 KSCVYLLMYJLFHC-FQEVSTJZSA-N 438.503 2.500 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)CCOC)C1)C[C@@H]2C(F)(F)F 19530928 MCONIJYANQLFPC-AEGPPILISA-N 432.443 2.623 0 40 IFAB C[C@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1 19749249 QLLXNJYOJBQANL-AWEZNQCLSA-N 433.443 2.993 0 40 IFAB CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)nc2ccccc12 19762131 QQLODOLVQAGXDH-QFIPXVFZSA-N 445.523 2.803 0 40 IFAB COc1cc(OC)c(OC)cc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 19889942 WSJGUTMTCHFBRO-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 20061441 DTYIQIFYKCYSLP-UHFFFAOYSA-N 431.533 2.881 0 40 IFAB Cc1nnc(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)s1 20102675 CLFFPAHQYWGYNT-MRXNPFEDSA-N 434.568 2.644 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 20245062 AXKJLKOAUWYLDC-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245726 NNSWSXWALVTIFZ-UHFFFAOYSA-N 432.546 2.567 0 40 IFAB CSCC[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20517960 MMUQSQNTUYTBPE-VWXURSGXSA-N 433.961 2.756 0 40 IFAB CCCc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)ccc12 21619445 OXJYSKPJNTZJDS-QGZVFWFLSA-N 435.542 2.796 0 40 IFAB O=C(NCCCN(Cc1ccccc1)C(=O)c1ccncc1)c1nc2ccccc2c(=O)[nH]1 22472004 WRXOCKUVZGEOQA-UHFFFAOYSA-N 441.491 2.781 0 40 IFAB COc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4cccc(F)c4N4CCOC[C@@H]43)C2=O)cc1 25185175 NGBGJZGLWQIINZ-VGSWGCGISA-N 425.416 2.705 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@@H]1C 28721449 CPQOUQXNDVHRHR-GKVSMKOHSA-N 443.551 2.940 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCc2cccc3cccnc23)cc1C 29851374 LKCAHIQQTOODTI-CTNGQTDRSA-N 440.521 2.719 0 40 IFAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCc3ccc4c(c3)OCO4)cc(C(C)C)nc21 32031823 DINRECHVARBLAM-UHFFFAOYSA-N 438.484 2.523 0 40 IFAB Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2cc(S(N)(=O)=O)ccc21 32946594 FGCMPYIXSXXAQW-UHFFFAOYSA-N 442.469 2.553 0 40 IFAB COc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2cccnc2)cc1 38487699 SAMWSWNRYRIZAI-UHFFFAOYSA-N 429.436 2.997 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C[C@@H](O)COCc4ccccc4F)CC3)n2)cc1 40039716 RLCCQKPMLHRINE-OAQYLSRUSA-N 440.519 2.879 0 40 IFAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)cc1 40049412 ITDBLRNFRLTREI-MRXNPFEDSA-N 441.484 2.667 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN(C)CC(=O)Nc2ccc(F)c(F)c2F)n1 58159565 YKZAQVDFLNFBPN-UHFFFAOYSA-N 431.422 2.994 0 40 IFAB CC(=O)Nc1ccc2nc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)sc2c1 58565784 PNBBOPNUOGBIPB-UHFFFAOYSA-N 429.502 2.790 0 40 IFAB CCOc1cc([C@H]2NC(=O)NC(CN3CCc4ccccc4C3)=C2C(=O)OC)ccc1O 67285614 YVEJJLMTUCLNEH-JOCHJYFZSA-N 437.496 2.630 0 40 IFAB CCn1cc(CN2CCC(c3nc(-c4cccnc4)ncc3S(C)(=O)=O)CC2)c(C)n1 72335870 LTPWPHXIEBLABZ-UHFFFAOYSA-N 440.573 2.847 0 40 IFAB Cc1ccc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3O[C@]3(CCCN(C)CC3)C2)cn1 72394785 SWXCEFJVZRPIQG-DFBJGRDBSA-N 436.556 2.784 0 40 IFAB O=C(Nc1nc(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)co1)c1cnccn1 77099946 MQEHJURCNPNAQC-UHFFFAOYSA-N 447.282 2.986 0 40 IFAB O=C(Nc1cnn(CCN2CCCCC2)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95459049 NSTFAGXAIRZPRC-LJQANCHMSA-N 427.524 2.999 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCc4nc5ccccc5oc4=O)C3)cc2n1 100138218 VEPMAMRNNFBEPT-OAHLLOKOSA-N 447.495 2.838 0 40 IFAB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)c1OC 101279671 QDWYHUVUWIFCLL-PBHICJAKSA-N 431.242 2.759 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 102618941 DATWFLTZESFLSZ-CFINBHSISA-N 428.897 2.963 0 40 IFAB Cc1c(OCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc2c3c(c(=O)oc12)CCC3 208173939 GGWOXEJWUSLBED-DLBZAZTESA-N 446.503 2.777 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220086060 IJCXCBLABOMECQ-ZDUSSCGKSA-N 439.484 2.898 0 40 IFAB COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220457524 NEMPHZNCQXGYPP-AWEZNQCLSA-N 426.485 2.877 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222391272 RZNWNEKPWMUPMF-IBGZPJMESA-N 445.585 2.559 0 40 IFAB CSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 222924685 AJKHLVPKYJEARW-UHFFFAOYSA-N 432.980 2.953 0 40 IFAB COCCNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 223236312 DGILEEZKSQJTQA-UHFFFAOYSA-N 433.461 2.799 0 40 IFAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 223668365 XUGOSMMZGCASMO-UHFFFAOYSA-N 443.569 2.979 0 40 IFAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 231645147 FRNWPTRXNLTCSJ-ZQAYVECASA-N 426.469 2.840 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O 238862346 KYOVHHVQZVADOF-MRXNPFEDSA-N 437.924 2.577 0 40 IFAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cccn3nccc23)C1 257270035 MSNMXZWKVQDWJH-KRWDZBQOSA-N 438.503 2.700 0 40 IFAB Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)COCCN3CCCC3=O)C2)n1 257286435 PLOYYKOUZUDEIP-QGZVFWFLSA-N 441.507 2.623 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 260912206 AOALARMCMQBSFH-GOSISDBHSA-N 434.558 2.970 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 408662821 PQFRHPFCQBRXNR-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB COc1ccc(CC(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OC 408714108 IVOQTJLVZWMTEX-UHFFFAOYSA-N 427.457 2.972 0 40 IFAB CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F 519465013 KIMULOCGIKVWHP-UHFFFAOYSA-N 439.443 2.869 0 40 IFAB O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CCC3(C2)Oc2ccccc2O3)C1 579181105 QYATYFWVQSEJPP-QGZVFWFLSA-N 432.480 2.815 0 40 IFAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)Cn4nnc5ccccc54)CCO3)n2)s1 643550854 PPUADZAZNZYSDD-GOSISDBHSA-N 435.513 2.935 0 40 IFAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc12 2117005 AHEAWSJEHSANGR-BBRMVZONSA-N 433.457 2.646 0 40 IFAB biogenic COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2C)n1N 2368624 SUKZCQMEOWPNJT-UHFFFAOYSA-N 426.502 2.665 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015356 YULZRXSJGMLALF-UHFFFAOYSA-N 447.491 2.882 0 40 IFAB O=S(=O)(c1cccc(-c2nnc(S)n2-c2cccc(Cl)c2)c1)N1CCOCC1 3280988 RPROHCHOXTXKJP-UHFFFAOYSA-N 436.946 2.897 0 40 IFAB Cc1cc2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2c2ccccc12 3302208 AAQVXGVXNOAPCD-UHFFFAOYSA-N 435.509 2.861 0 40 IFAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCN(C(=O)c2ccco2)CC1 3390434 UZKIRAPDLXGAQG-UHFFFAOYSA-N 429.527 2.951 0 40 IFAB CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)NCCN(C)C)[C@@H](CC)C2)c1 5434171 WJACWGJTFFWWSD-ROUUACIJSA-N 432.565 2.811 0 40 IFAB biogenic,in-vitro CCc1cccc(C)c1NC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c1cnn2C 8592177 BCDRSJPCKPCTPX-UHFFFAOYSA-N 431.496 2.704 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C 9264063 PWBZXKGMEGINKI-GFCCVEGCSA-N 446.558 2.889 0 40 IFAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1 9308650 YLMUVYSQTJSQGC-UHFFFAOYSA-N 429.524 2.940 0 40 IFAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4Cc3ccccc3)n(C)c2=O)c1 9308872 RALUTNKSIKFEMX-UHFFFAOYSA-N 429.524 2.972 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 9317563 ZRHJDTUAWFGRDI-LJQANCHMSA-N 438.871 2.610 0 40 IFAB biogenic COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)c1OC 9407955 PICQMQGAWWXGCJ-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(Cc3ccc4c(c3)OCO4)o2)cc1 9702087 KAAZSIJURLSYBW-UHFFFAOYSA-N 443.481 2.890 0 40 IFAB CCN(Cc1ccccc1)C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 9797048 LVGWSOBOTNHNOO-UHFFFAOYSA-N 432.571 2.844 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9823997 QRXGWNORMQHPJX-UHFFFAOYSA-N 429.484 2.572 0 40 IFAB Cc1cn2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc2n1C1CCCCC1 9829442 LTPVXFJFVSGSHH-UHFFFAOYSA-N 449.511 2.706 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4CCc3ccccc3)n(C)c2=O)cc1 10252576 WKUFEGQFLXEUPT-IBGZPJMESA-N 443.551 2.952 0 40 IFAB COc1ccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)NC(C)C 12813121 FMIOSPMKIRJCBF-UHFFFAOYSA-N 447.557 2.709 0 40 IFAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)Cn2ccc(=O)[nH]c2=O)c1 12897872 RMKWQVOESYDEPM-UHFFFAOYSA-N 435.358 2.995 0 40 IFAB COc1cccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1 14241671 XFMZBWVZQYTXRV-UHFFFAOYSA-N 439.331 2.828 0 40 IFAB C[C@@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1C)N1C(=O)COc2ccccc21 15019111 MWVVZNAJONNUJO-HNNXBMFYSA-N 449.536 2.983 0 40 IFAB CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 16046351 QPJKCESZTHCZNX-XMMPIXPASA-N 437.496 2.662 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@H]4C)o3)CC2)cc1 16230897 PTGLJKXKZRFENF-MASUAYHVSA-N 430.526 2.958 0 40 IFAB CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)Nc2c(C)nn(C)c2C)C1=O 19500859 IDQDXHAZYVPIMX-VGOFRKELSA-N 438.484 2.854 0 40 IFAB COc1cc(C(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cc(OC)c1OC 19549493 JFLAEPZWKBVYBI-UHFFFAOYSA-N 425.485 2.729 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C(C)C)C2 19572188 MUESHGYLFHQQJZ-LJQANCHMSA-N 439.560 2.632 0 40 IFAB CCc1nnsc1C(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19692698 ZGHKVJXYOCYATO-QGZVFWFLSA-N 442.520 2.976 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O 19699780 BXZGKWOOBTZABF-HXUWFJFHSA-N 432.609 2.990 0 40 IFAB Nc1nc2c(cc1C(=O)N1CCOCC1)CN(C(=O)C1(c3ccccc3)CCCC1)CC2 19701073 CDTRNOQZYOEFMX-UHFFFAOYSA-N 434.540 2.533 0 40 IFAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N(C)CCOc3ccccc3F)c2C1 19711322 JTTPTZPROKAHKY-SFHVURJKSA-N 441.551 2.845 0 40 IFAB Cc1c(S(=O)(=O)N2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccc(F)cc2)cnn1C 19713540 UGVCZZTWLMJEOF-IFMALSPDSA-N 448.564 2.992 0 40 IFAB NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 20456902 ZWKFJFFDCUXNKE-UHFFFAOYSA-N 435.933 2.619 0 40 IFAB Cc1c(CCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)c(=O)oc2cc(O)ccc12 20621802 NWEVHVVYHDYODQ-UHFFFAOYSA-N 441.572 2.806 0 40 IFAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)n1c(=O)oc2ccccc21 21970025 KOEYSDUUGSCKKP-CQSZACIVSA-N 441.465 2.866 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 22696851 XYBCOOFAUNWZHN-NRFANRHFSA-N 429.517 2.754 0 40 IFAB Cc1sc2nc(CN3CCN(Cc4nnc(-c5ccco5)o4)CC3)[nH]c(=O)c2c1C 22781613 ZDMHOQMGFRNSBZ-UHFFFAOYSA-N 426.502 2.562 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 22907518 NYOVAZVQJPQLNJ-LJQANCHMSA-N 433.464 2.863 0 40 IFAB Fc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928909 XTFUKGXPAQVARO-PKTZIBPZSA-N 436.535 2.898 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3cc(-c4ccccc4)[nH]n3)ccc21 24208867 CGUDPCNPCBELHM-UHFFFAOYSA-N 439.493 2.829 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccccc21 26112690 JYYRFSDBXSCCQV-FQEVSTJZSA-N 449.960 2.606 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)[nH]2)cc1 28855243 CNKKLJDPBLGMDF-UHFFFAOYSA-N 431.543 2.881 0 40 IFAB CCCn1nc(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)c2ccccc2c1=O 40150270 IKYNXUGYVNPEGM-UHFFFAOYSA-N 425.514 2.754 0 40 IFAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(OC)c1)CC(=O)N2 40390501 QAUQKLLMAGBFJF-ZBFHGGJFSA-N 425.489 2.612 0 40 IFAB COc1ccc(NC(=O)Cn2nc3nc(N4CCCCCC4)ccn3c2=O)cc1Cl 49410778 FEKNVHWQTVCVAB-UHFFFAOYSA-N 430.896 2.572 0 40 IFAB O=c1c(Cl)c(N2CCC(C3OCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 69198870 ZMVLFPHXSXFOPV-UHFFFAOYSA-N 430.814 2.889 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 72377748 DAGMBGHIUIFQCA-HNNXBMFYSA-N 426.502 2.587 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C1)O2 72396517 ZCONQPPOJYBVPW-MGPUTAFESA-N 435.484 2.636 0 40 IFAB O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCc2ccccc21 78991128 UJKXTNWXIVQIEL-LJQANCHMSA-N 442.519 2.958 0 40 IFAB CCNC(=O)COc1cccc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)O)c2C)c1 96007267 SNQUIMDHHUBWEP-UHFFFAOYSA-N 434.514 2.555 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl 100683784 LLRKVCSMACZIJA-CHWSQXEVSA-N 444.841 2.623 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 101457558 HIRQDSRUPIDXSW-OYRIPWCXSA-N 434.279 2.893 0 40 IFAB CCOc1cccc(N(CC(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)c1 219144428 FMZSZEHXQYAQGN-UHFFFAOYSA-N 444.513 2.526 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 222656899 FEBAGIJSHBMEBS-UHFFFAOYSA-N 448.541 2.744 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 222711133 ZFQOJHIWRUGUSR-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)ccc21 225051322 BZVMUTCYJRVSRA-GFCCVEGCSA-N 437.568 2.701 0 40 IFAB CCCSc1nnc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)s1 225848609 CHPXEYIAWUQNHQ-UHFFFAOYSA-N 442.544 2.503 0 40 IFAB CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(OC)c3)CC1)COC2 306122953 AALWKRCEOQATNC-QGZVFWFLSA-N 427.549 2.628 0 40 IFAB O=S(=O)(Cc1ccccc1)C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1 390830836 NTLFDDJJDXMFCE-UHFFFAOYSA-N 437.583 2.865 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408550157 ANCCQBJRXNMCEY-UHFFFAOYSA-N 438.267 2.864 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2cccc(C)c2C)CC1 408588738 DSKRDBFOJDRLDQ-LJQANCHMSA-N 445.585 2.636 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408656071 IIWIJDDWYOSVTF-PWDCEVBCSA-N 439.295 2.895 0 40 IFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1OC 409378615 QKFWEARHZUSJPE-UHFFFAOYSA-N 436.530 2.964 0 40 IFAB COc1ccc(C2(C(=O)N3CCc4c(cccc4S(=O)(=O)N(C)C)C3)CCC2)cc1 551675857 IYNOQWOWFGVVIH-UHFFFAOYSA-N 428.554 2.952 0 40 IFAB COc1ccc(NC(=O)C[C@H]2Cc3c(O)nc(NCc4ccccc4)nc3NC2=O)cc1 1548338310 GJQZOECBUAAZSH-OAHLLOKOSA-N 433.468 2.943 0 40 IFAB C[C@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1683303020 HRRAMCLTJJXDFV-DYZYQPBXSA-N 447.344 2.530 0 40 IFAB CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 942852 AALHEJVFGKQASC-UHFFFAOYSA-N 428.470 2.694 0 40 IFAB Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCC4(CC3)NC(=O)NC4=O)c2c1C 9218859 IMLGMSDIUMVION-UHFFFAOYSA-N 442.589 2.718 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(Br)cc1F 9257506 BWVXRWHPLAUATE-UHFFFAOYSA-N 434.221 2.518 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2N2CCCCC2)c1 9635475 GOYWXTMCDZLBNQ-UHFFFAOYSA-N 446.573 2.508 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 9643046 BIVUSXXBHLIFJL-MRXNPFEDSA-N 440.554 2.908 0 40 IFAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9671710 VTEGTDXBAXDRAV-UHFFFAOYSA-N 439.588 2.628 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC 9761818 GNWFMCYFGHWISM-UHFFFAOYSA-N 437.452 2.825 0 40 IFAB COc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 10543176 UBRPHPIDDUVLKS-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB Cc1ccnc2nc(C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)nn12 12904190 BPRKGIYCMKCALS-CYBMUJFWSA-N 440.529 2.534 0 40 IFAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13006340 RKADRBGYKGCFSO-UHFFFAOYSA-N 440.525 2.669 0 40 IFAB CCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1cc(F)ccc1OC 13581216 CFJGSMPETYUFEC-UHFFFAOYSA-N 426.466 2.501 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1nn(-c3ccc(F)cc3)c3c1CCC3)C2=O 14079695 XLCCEHKNUQOCAC-UHFFFAOYSA-N 425.464 2.646 0 40 IFAB COc1ccc(NC(=O)c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)cc1 14105577 PPSIFTOJGSWSJP-UHFFFAOYSA-N 431.514 2.558 0 40 IFAB CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 15385352 TZFMYEULXBQQNX-UHFFFAOYSA-N 448.516 2.720 0 40 IFAB O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 16033737 RDMNATBELOOMFB-MPDZVGHASA-N 434.602 2.925 0 40 IFAB O=C([C@@H]1CN(C(=O)c2cccc(Br)c2)c2ccccc2O1)N1CCOCC1 16964255 ABVZMWKBIIVSNQ-SFHVURJKSA-N 431.286 2.716 0 40 IFAB Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCC(=O)Nc2ccc(F)cc2)cc1 17041430 FDINOQCWTUCSSV-UHFFFAOYSA-N 442.516 2.870 0 40 IFAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)c1ccc(Cl)s1 19240616 PWFZIXOPHGQRBN-UHFFFAOYSA-N 445.863 2.726 0 40 IFAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)c1ccc(Cl)s1 19240617 SRPIGIZQVJUWAS-UHFFFAOYSA-N 445.863 2.726 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 19579710 GOHZIRHDZIUYBZ-SQJMNOBHSA-N 437.515 2.621 0 40 IFAB Cn1nccc1CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19696689 ODOXMBUGTQUKSL-SFHVURJKSA-N 426.542 2.681 0 40 IFAB COc1cc2ncn(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)c2cc1OC 20762748 AKSZIPCZYVQPNW-UHFFFAOYSA-N 440.887 2.907 0 40 IFAB biogenic Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cccc2c1=O 29189599 BBHIPUKIPFEKMT-KRWDZBQOSA-N 440.521 2.922 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 30854591 PGGPWBTZCWGQFR-KRWDZBQOSA-N 448.541 2.739 0 40 IFAB O=C(NC1CCCCC1)[C@H]1O[C@H](CCN2CCN(Cc3ccccc3)CC2)CC[C@@H]1O 30878839 LOLSSQVOHHYTCU-HJOGWXRNSA-N 429.605 2.552 0 40 IFAB biogenic,in-vitro Cc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1 32741195 WLZIYIREQIPBTE-UHFFFAOYSA-N 430.526 2.871 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38754274 UFBDSCIHGKYOSQ-LPHOPBHVSA-N 443.997 2.638 0 40 IFAB CCCc1cc(=O)[nH]c(SCC2=C(C(=O)OCC)[C@@H](c3ccc(C)o3)NC(=O)N2)n1 40058052 VNONWCDLWPOGNK-QGZVFWFLSA-N 432.502 2.587 0 40 IFAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 40390695 LNSSXFPWNHAHNJ-QGZVFWFLSA-N 429.480 2.706 0 40 IFAB CC(C)c1noc(CCCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n1 48300495 HVAPTJSQRKOJJI-UHFFFAOYSA-N 438.525 2.624 0 40 IFAB C[C@H]1C[C@@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)C1 49400237 VFFCURIWCGHADR-BETUJISGSA-N 432.887 2.805 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1 51316698 BXMJPXWXGOYLOQ-UHFFFAOYSA-N 435.465 2.626 0 40 IFAB CONS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 58404405 XUWFBCHKSMOOOK-GOSISDBHSA-N 432.498 2.665 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 59816866 AUGWQUXFVSSKIN-DVOMOZLQSA-N 425.489 2.610 0 40 IFAB C[C@@H]1CN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@@H](C)O1 84706247 XIPZRANJHIAQPA-HMFYCAOWSA-N 439.556 2.766 0 40 IFAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cc2C(=O)O)cc1 89865384 FXFXXAUDDSSSSV-UHFFFAOYSA-N 437.477 2.979 0 40 IFAB O=C1CN(Cc2ccc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)cc2)CCN1 89873232 NHGUNUCABNOQOW-UHFFFAOYSA-N 442.563 2.730 0 40 IFAB CCNC(=O)[C@H]1CCCN(C(=O)c2cccc(=O)n2CCOc2ccccc2Cl)C1 89977383 QWIKXACROODNSC-INIZCTEOSA-N 431.920 2.569 0 40 IFAB CSc1cccc(NC(=O)CN2CCN(Cc3cnnn3-c3ccccc3F)CC2)c1 90590495 DKPUBOJWJZFGED-UHFFFAOYSA-N 440.548 2.885 0 40 IFAB O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)Nc1ccc2c(c1)OCCO2 90610277 ZUQNWZBGTKQDAD-UHFFFAOYSA-N 435.461 2.693 0 40 IFAB Cc1ccc(Cl)cc1N1C(=O)/C(=C\N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 102583361 WXEOBIUYQUXUGG-JQFNYASXSA-N 430.913 2.953 0 40 IFAB CCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O 216407271 PPDQYBFCERVNPZ-UHFFFAOYSA-N 431.514 2.617 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 222539892 XVIOKLJYBGPXHM-SFHVURJKSA-N 430.526 2.832 0 40 IFAB CCOc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OCC 223736994 CCZXYHDVXRCZJU-LBPRGKRZSA-N 442.563 2.970 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224218517 CHQZULIICPEGGK-INIZCTEOSA-N 447.557 2.874 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CSCc2ccccc2F)cc1 224262440 LAUNEBAPUFMCSK-UHFFFAOYSA-N 426.535 2.504 0 40 IFAB CCc1ccc(CC)c(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 224769994 BMDRDBPREYZFPI-UHFFFAOYSA-N 443.613 2.819 0 40 IFAB COc1ccc(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1N1C(=O)CCC1=O 225621105 QKLWHFBYKWRPTB-UHFFFAOYSA-N 436.917 2.913 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731616 PHOXSYCYBFKQGX-UHFFFAOYSA-N 426.464 2.885 0 40 IFAB CCSc1nnc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)s1 225807915 CHASRMUPEIKZTK-UHFFFAOYSA-N 430.577 2.842 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)C1 248322801 WZKRWHFOROLCRA-RZBPJOERSA-N 426.513 2.743 0 40 IFAB O=C1COc2ccccc2C/C=C/C[C@]2(CCCN(C(=O)CCn3ccccc3=O)C2)CN1 257319746 VTXMQBONEWRIAU-SDYFHRIUSA-N 449.551 2.545 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408600990 DGFOLVNQPYQBCQ-UHFFFAOYSA-N 432.420 2.648 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3c(C)nn(-c4ccccc4)c3O)C2=O)cc1 409017988 OOMPHLZIIPIENH-XDHOZWIPSA-N 431.452 2.726 0 40 IFAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)CC1 584906344 JEJZUUQNBALKGP-OPMHRUBESA-N 426.517 2.605 0 40 IFAB C[C@@H](NC(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 1564965559 HUWBUWVCDPVFRG-YLJYHZDGSA-N 435.528 2.625 0 40 IFAB O=C(NCc1ccccc1)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775972425 GAMRTRMIZYTXMF-UHFFFAOYSA-N 428.500 2.608 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1 633764 DLZAUXADFWDGRL-RHSMWYFYSA-N 431.562 2.541 0 40 IFAB CC(C)(C)C(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)CC1 1324883 NOXOSDVBXASDOT-UHFFFAOYSA-N 428.924 2.968 0 40 IFAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CS(=O)(=O)C3)cc1 3008738 VRRUQSZHQMBLIM-UHFFFAOYSA-N 435.461 2.968 0 40 IFAB Cc1ccc(SCC(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1C 4768634 OTGJOFGHLHNKCK-QGZVFWFLSA-N 427.588 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4cccnc4)c(=O)n2C3)cc1 5396991 RFVBNMHZLSBDRC-FUHWJXTLSA-N 437.521 2.727 0 40 IFAB biogenic,in-vitro CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 6461983 OORRUNGRKIZLIO-UHFFFAOYSA-N 431.562 2.899 0 40 IFAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1cccc(O)c1 8830844 BHLKATAHDREZNF-OAQYLSRUSA-N 435.484 2.845 0 40 IFAB CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)O 8877027 HHOKJKXMUMDSCD-UHOSZYNNSA-N 444.532 2.670 0 40 IFAB biogenic COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 8938840 OTWCPABELICPQL-UHFFFAOYSA-N 448.541 2.604 0 40 IFAB COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@H]2CS(=O)(=O)C[C@@H]21 9061178 HQBOKXDQAJGRPX-STQMWFEESA-N 428.885 2.578 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)cc1OC 9216105 UEWMNFOWKUJGHP-PWDRBQJJSA-N 434.514 2.504 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCN(C(C)=O)C2 9383249 FNMUZVLYRLJKQR-INIZCTEOSA-N 430.482 2.608 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2c(F)cccc2Cl)cc1 9720601 YZDDEHQNMIDZJF-UHFFFAOYSA-N 440.924 2.837 0 40 IFAB CN(Cc1ccccc1Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733488 NLMKLTPEVARVMR-UHFFFAOYSA-N 443.978 2.764 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@H]3C2=O)cc1 9835940 PFNSOOOZUMNPKV-QZTJIDSGSA-N 427.848 2.671 0 40 IFAB C[C@H](Sc1nncn1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 10800097 OJCVOGQGCZDWKX-LBPRGKRZSA-N 443.982 2.762 0 40 IFAB COc1ccccc1N1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 11613624 TWLFRCSCVHFLEJ-INIZCTEOSA-N 440.569 2.516 0 40 IFAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)COC[C@@H]4CCCCO4)nn3cn2)cc1 12085120 LYWVONJLWXYPAE-QAPCUYQASA-N 425.489 2.563 0 40 IFAB NC(=O)c1cc(NS(=O)(=O)c2ccc(Br)c3ccccc23)cc(C(N)=O)c1 12291397 GUSVWOKZPXPCJK-UHFFFAOYSA-N 448.298 2.601 0 40 IFAB CCOc1ccc(OCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 12675614 WBGVHBLBMRWIHL-UHFFFAOYSA-N 434.514 2.514 0 40 IFAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O 12767131 TZASCBMOVZIEDV-CYBMUJFWSA-N 435.402 2.916 0 40 IFAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@H](C)C(=O)NC1CC1 12784693 JJYLZXYBIGXVBJ-CQSZACIVSA-N 436.464 2.705 0 40 IFAB CC(C)[C@@H](NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1)c1ccc2c(c1)OCCO2 12809916 HLWKYUXJTYNYAK-XMMPIXPASA-N 443.588 2.996 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12929975 RQWXBGHHDXEWOU-RDTXWAMCSA-N 448.416 2.995 0 40 IFAB C[C@H](N[C@@H](C)c1ccccc1Br)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13037956 FGYPYMKTRLRAIB-RYUDHWBXSA-N 426.336 2.774 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 14893516 LYDQMKDDLIAVKW-MRXNPFEDSA-N 434.489 2.960 0 40 IFAB NS(=O)(=O)c1cc(C(=O)Nc2cccc(I)c2)ccc1Cl 15700115 KTJKQZSBQNGSMN-UHFFFAOYSA-N 436.658 2.844 0 40 IFAB CCCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 16053355 HBKVBTSXBVHPQK-OAHLLOKOSA-N 434.514 2.592 0 40 IFAB COc1ccc(-c2nnc3sc(SCC(=O)NC4CCCCC4)nn3c2=O)cc1 16954623 NKAQIPICSSKHAZ-UHFFFAOYSA-N 431.543 2.763 0 40 IFAB Cc1nc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Cl)cc1Cl 17747673 QUEFMKBLBYENJA-SRVKXCTJSA-N 442.299 2.742 0 40 IFAB CN1C[C@@H](C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)CC1=O 19695300 ZSENMRORJLPDPQ-KRWDZBQOSA-N 425.508 2.533 0 40 IFAB Cc1oc2c(c1C(=O)N1CCc3nc(N)c(C(=O)NCc4ccccn4)cc3C1)CCCC2 19701141 ZBJDBVRGWPCUCG-UHFFFAOYSA-N 445.523 2.968 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1CN(C)CC2 19710520 PWZOBHYIUDARQO-GOSISDBHSA-N 448.571 2.653 0 40 IFAB C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O)c1nc2ccccc2[nH]1 19750602 XLMFMOSFQDUSRF-MRXNPFEDSA-N 429.480 2.532 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)c(C)c1 20004335 JQTNEMAVLWCNNL-SFTDATJTSA-N 430.570 2.797 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(C)cc1 20674562 XJAYZGRVDFWZJU-NHCUHLMSSA-N 438.503 2.663 0 40 IFAB CC(C)Cn1c(N2CCN(C(=O)CCC(=O)O)CC2)nc2sc3c(c2c1=O)CCCC3 20745871 NGVQNGMTQXZPPO-UHFFFAOYSA-N 446.573 2.506 0 40 IFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@@H]1C 21867258 OKIUCZRJNZZCSA-GJZGRUSLSA-N 425.514 2.604 0 40 IFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1cnc2sc(C)c(C)c2c1=O 23038403 MOLGWUKNXRIOEA-UHFFFAOYSA-N 437.525 2.750 0 40 IFAB CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 28414346 CUOQFNIBQABCJN-UHFFFAOYSA-N 437.468 2.841 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 31066157 DMMRJFHGCOHHKO-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32799948 KEMPRDAXRQGTEV-JOCHJYFZSA-N 441.597 3.000 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2C)cc1 34687303 YXRVXOWWNPPIKM-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB CCOc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1OCC 44905207 QGZLJCLVSOVXGO-NRFANRHFSA-N 448.541 2.636 0 40 IFAB CN(CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 44916985 HDHZHXNAUPDOAV-NRFANRHFSA-N 445.585 2.764 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 57415616 RFOYSQKKJICSQG-QFIPXVFZSA-N 444.551 2.947 0 40 IFAB COC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@H](c2cc(C)ccc2C)C2=C1COC2=O 67288656 OJNOQCIBCCORDZ-NRFANRHFSA-N 449.463 2.606 0 40 IFAB Cc1ccc(N2C(=O)N(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)[C@H]2C)cc1 95350631 AZTXZFLXNBMQRF-GOSISDBHSA-N 436.512 2.656 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)N[C@H]3CCC[C@@H]3C(=O)O)cc2)cc1 95970127 XTEDWTVICROTBJ-FEGYVVDRSA-N 444.509 2.879 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@H]3C2=O)cc1 101275124 ANIODPIJFNMOBY-DLBZAZTESA-N 438.831 2.892 0 40 IFAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C2 102448114 QIYCCCZJDWTPDN-CVAIRZPRSA-N 426.604 2.964 0 40 IFAB CCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103432121 JXUBNYDFTNBUGI-ORIJERBGSA-N 436.603 2.737 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 220178792 KXDVUDKVIRGLDW-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c2ccccc12 222583704 ZBBJIUAGGAEBGP-CQSZACIVSA-N 430.482 2.931 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223064428 PTJVUMROORDFOS-UHFFFAOYSA-N 432.477 2.920 0 40 IFAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 223251848 GZDFMZYSMKZJTQ-UHFFFAOYSA-N 434.558 2.911 0 40 IFAB COC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 223392401 XKUPWFHQXOAIKS-HNNXBMFYSA-N 436.530 2.602 0 40 IFAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225861514 YUJVPHXJXOMRGJ-MRXNPFEDSA-N 435.977 2.918 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1O[C@@H]1CCOC1 253402330 OCWPWSKKTNLQMR-CQSZACIVSA-N 446.510 2.759 0 40 IFAB COc1ccc(Cc2cc(C)nc([C@H]3CN(C(=O)Cc4nnc(N)s4)CCO3)c2)cc1 257316486 VFVJFRLHYJNSDV-LJQANCHMSA-N 439.541 2.566 0 40 IFAB NC(=O)C1CCN(CCc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)CC1 504983790 VCWQEOMUKSJTFH-UHFFFAOYSA-N 431.540 2.924 0 40 IFAB CSCC[C@@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)n1c(O)nc2ccccc2c1=O 524732387 XWKIEHVJDKOHKX-LZFQIVBZSA-N 431.558 2.550 0 40 IFAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575424947 CSKCKEGWAYNQRS-KRWDZBQOSA-N 437.027 2.558 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C 575615449 IDHMEGQTGZYILA-UHFFFAOYSA-N 446.495 2.860 0 40 IFAB CC(C)(C)N1C[C@H](NC(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)CC1=O 1565524746 MYHAVKYZBZRYDC-QGZVFWFLSA-N 429.586 2.814 0 40 IFAB CO[C@H]1CCn2cc(C(=O)N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)nc2C1 1615613406 UZZOWURXLHMENF-GJZGRUSLSA-N 427.455 2.731 0 40 IFAB COc1cccc(NC(=O)N2C[C@@H]3CN(c4cc(-n5nc(C)cc5C)ncn4)C[C@@H]3C2)c1 2086896817 JKQFIHMOTIEBSH-HDICACEKSA-N 433.516 2.888 0 40 IFAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2129978 HQVRAAHWGUMKGD-HXPMCKFVSA-N 436.420 2.559 0 40 IFAB biogenic O=C(NCCSCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 2146440 QNGAYZMQCUDONI-UHFFFAOYSA-N 444.962 2.617 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 2481300 CONHQVGVVDODRU-MRXNPFEDSA-N 435.509 2.509 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6300132 OMPAYOFHZAZPJB-KRWDZBQOSA-N 441.919 2.647 0 40 IFAB C=CCNC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(F)cc4F)cc3C(=O)N2C1 8297039 QBMWNKXPBQNXKB-LIRRHRJNSA-N 426.423 2.652 0 40 IFAB biogenic,in-vitro CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 9233854 YZYJSKCVPBPPAM-ZDUSSCGKSA-N 435.402 2.822 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(OC)cc1 9260391 IHNQCZLQPLTBGY-LJQANCHMSA-N 437.543 2.568 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 9408246 DBIBABURPDLQRO-OALUTQOASA-N 445.566 2.717 0 40 IFAB CCCCc1ccc(-n2c(C)cn3c4c(=O)n([C@H](C)C(=O)OC)c(=O)n(C)c4nc23)cc1 9712991 MCBKSJDQOBAMMX-OAHLLOKOSA-N 437.500 2.524 0 40 IFAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc1 9748931 UTWIAWHMRUIXIN-UHFFFAOYSA-N 430.262 2.710 0 40 IFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(F)ccc1F 9949142 XCJRMSMYBBWMRX-UHFFFAOYSA-N 435.431 2.893 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 10692578 WQMOEXHREZHMPC-CQSZACIVSA-N 439.921 2.591 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1sccc1S(=O)(=O)N1CCCCC1 10839611 UMJXUYMPACHZMF-UHFFFAOYSA-N 449.554 2.813 0 40 IFAB C[C@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 11726689 CTKCQBVXKMIEOW-WFASDCNBSA-N 435.546 2.796 0 40 IFAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 12163028 JHSCHRZCALCHAG-NSXLHWASSA-N 428.577 2.573 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2n1 12230427 LDYFTGVEZGZKRS-IUODEOHRSA-N 444.479 2.970 0 40 IFAB COC(=O)CCCNC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C 12324123 LWQIUWIVJZWIQW-UHFFFAOYSA-N 431.923 2.589 0 40 IFAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 12378222 LOWZQHICLLYGSB-MRXNPFEDSA-N 441.509 2.776 0 40 IFAB COc1ccc([C@@H](NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c2nccn2C)cc1 12520798 SAWXNWKXNLFZPQ-OAQYLSRUSA-N 429.480 2.604 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 12543419 RKOFYVMSUUMOPP-HXUWFJFHSA-N 435.977 2.992 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1)Nc1cccc(F)c1 12816691 XJYGZMOXQAGNBU-UHFFFAOYSA-N 440.397 2.558 0 40 IFAB Cc1cc(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c(C)n1CC(F)(F)F 13119810 TXLPJWXLQCUKOG-UHFFFAOYSA-N 441.431 2.945 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 13126604 STQROZLHZPJWHA-CQSZACIVSA-N 440.550 2.741 0 40 IFAB O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N[C@H]1CCS(=O)(=O)C1 13724359 XQITWKQJINHQGJ-INIZCTEOSA-N 447.896 2.796 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 14129653 ZQXNCHPUEDDENO-UHFFFAOYSA-N 445.497 2.604 0 40 IFAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC[C@H]1COc2ccccc2O1 14184528 FETDURVNGOREGB-AWEZNQCLSA-N 425.510 2.683 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 14246396 OZFAUWUZEFGXNK-FQEVSTJZSA-N 443.525 2.848 0 40 IFAB CCCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 15803072 URKJHMNMTRCFRD-MRXNPFEDSA-N 430.526 2.505 0 40 IFAB CSCC[C@H]1N[C@@]2(C(=O)Nc3c(C)cc(C)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15958448 KIYSKRKTROCGKB-PRHHBONVSA-N 427.570 2.720 0 40 IFAB biogenic Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCC(=O)Nc2ccccc2F)cc1 17041485 HODPAWDRWIWESQ-UHFFFAOYSA-N 442.516 2.870 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2Cc1cccc(F)c1 19743706 QCOHVPTZKNNCQJ-QGZVFWFLSA-N 448.502 2.767 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 19823128 LSQXEIAJPUYUEJ-HNAYVOBHSA-N 448.878 2.867 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 19940354 ONAJQDJJAWMULW-OAQYLSRUSA-N 438.532 2.840 0 40 IFAB COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(Br)c1OC(C)=O 20086583 DZIKZPDICAHMPI-CQSZACIVSA-N 434.246 2.783 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC 20486349 BAXWMZWBFAPMGE-HNNXBMFYSA-N 436.530 2.664 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2N)c(OC)c1 21576034 DJAKXFVKPKOGOR-UHFFFAOYSA-N 443.573 2.853 0 40 IFAB COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)c1 22610873 MNRXAKLMGCQRCM-JOCHJYFZSA-N 434.492 2.987 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc2C1 28721457 XKNANCFFSSOZGY-RUZDIDTESA-N 443.551 2.547 0 40 IFAB COc1ccc(OCc2nnc(SCC(=O)NCCSc3ccccc3)n2N)cc1 32739545 TVRDAXVDGLWEKG-UHFFFAOYSA-N 445.570 2.580 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)NC[C@H](c1ccccc1)N1CCOCC1)CC2 32779743 KVYZLTGQOMEOOY-OAQYLSRUSA-N 425.529 2.845 0 40 IFAB COc1ccc(Cl)cc1CC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 32937022 KNJKESURRLVACL-IBGZPJMESA-N 446.931 2.882 0 40 IFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c2ccc(Cl)cc21 36359875 DMHXEUKNRXJEDC-NRFANRHFSA-N 442.903 2.718 0 40 IFAB CCOC(=O)c1sc(NC(=O)COC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1C 40059752 CHAVWRLNVVYMQV-CQSZACIVSA-N 448.497 2.860 0 40 IFAB Cc1oc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 40131534 CUMHJXQFSSLVTF-UHFFFAOYSA-N 445.541 2.863 0 40 IFAB COc1ccc2cc([C@H](C)C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2c1 40157460 MPVDRXOPKIWHIS-ULQDDVLXSA-N 434.558 2.507 0 40 IFAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855285 GIEIPMUNPCGPOT-UZLBHIALSA-N 430.526 2.941 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 58440023 CHIONCOKANGNTQ-CQSZACIVSA-N 448.445 2.691 0 40 IFAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccc(Br)cc2)CC1 70461883 AXXFTXGCHSSYTB-UHFFFAOYSA-N 427.306 2.574 0 40 IFAB O=C(COC(=O)c1[nH]c2ccc(Br)cc2c1Cl)N[C@@H]1CCCCNC1=O 84451708 NGYUEHRBDFGMNR-GFCCVEGCSA-N 442.697 2.526 0 40 IFAB C[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc2c(c1)OCCCO2 84651784 DOFFQGAICLEGPT-ZDUSSCGKSA-N 425.528 2.828 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(c2ccccc2)c2ccccc2)o1 95986211 NJISFEPECHRDHZ-JOCHJYFZSA-N 429.494 2.928 0 40 IFAB O=c1c(CN2CCSCC2)coc(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 101374695 KWDWQOAZKXDZBK-QPJJXVBHSA-N 441.597 2.725 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1(c2ccc(Br)cc2)CCC1 102138967 VILGATZUWXEEGD-DSIZOQBWSA-N 429.314 2.752 0 40 IFAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219111750 QMWKZOIULLNQJD-YWZLYKJASA-N 438.521 2.963 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(F)ccc3OC)n2)cc1OC 223623790 WDQUEAYYMJJDMJ-UHFFFAOYSA-N 437.449 2.722 0 40 IFAB Cc1ccccc1CC(=O)N1C[C@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@H]2C1 306133066 MASMKDOUZXUSMW-ROUUACIJSA-N 433.487 2.851 0 40 IFAB CCn1c(SCC(=O)Nc2ncccn2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409160589 UPKUEQBQGCPYJK-QGZVFWFLSA-N 439.545 2.946 0 40 IFAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCC[C@@H](c5nc(O)n[nH]5)C4)cc3C2=O)c1 517202281 DWTGGWYRLUOQIZ-MRXNPFEDSA-N 445.479 2.948 0 40 IFAB Cc1nc(-c2cccc(-c3noc(CN4C(=O)N[C@]5(CCc6ccccc65)C4=O)n3)c2)n[nH]1 565864937 CSFHKYXEZBZUJP-QHCPKHFHSA-N 441.451 2.724 0 40 IFAB Cc1cc(C)nc(-n2cc(C(=O)N3CCC[C@H](N4CCOCC4)CC3)c(C(C)C)n2)n1 622580123 GQZASNFUGXHLQA-IBGZPJMESA-N 426.565 2.729 0 40 IFAB COc1ccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nc3ccccc3c2=O)cc1Cl 2619495 HBLYCOCMVRPVGP-SNVBAGLBSA-N 432.889 2.723 0 40 IFAB Cc1nn(C)c(-c2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)c1Br 2790306 XGYZWASIGCAYHU-UHFFFAOYSA-N 434.323 2.821 0 40 IFAB CCN(CC)CCCNC(=S)N(CCN(C)C)Cc1cc2ccc(C)cc2[nH]c1=O 4133460 QQXYZWDHPPVXCX-UHFFFAOYSA-N 431.650 2.807 0 40 IFAB CCNC(=S)N(CCCN(CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6194045 IBWIOTYQBTVFBC-UHFFFAOYSA-N 432.590 2.728 0 40 IFAB O=C(Nc1nnc(SCCC2OCCO2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8908529 OYEJNLGOVODWBN-LLVKDONJSA-N 438.506 2.524 0 40 IFAB Cn1c(=O)c2c(nc3n(Cc4cccnc4)c(-c4ccc5ccccc5c4)cn23)n(C)c1=O 9160746 QTICUHAAIUGIOY-UHFFFAOYSA-N 436.475 2.950 0 40 IFAB Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 9263954 XBGLTDQYGJDVFF-UHFFFAOYSA-N 440.916 2.927 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 9526004 ZVRYTHBGTSMJGX-KRWDZBQOSA-N 436.464 2.820 0 40 IFAB COc1cccc([C@H](CNC[C@H](O)CN2CCOCC2)c2c[nH]c3ccccc23)c1OC 9729825 KAVXKBBNRLRKNZ-RXVVDRJESA-N 439.556 2.600 0 40 IFAB CCOC(=O)N1CCC(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)CC1 9805763 IYDJEGCLMGNJSK-UHFFFAOYSA-N 432.304 2.686 0 40 IFAB CNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 9884801 UWHMMZKHRJIQGL-JOCHJYFZSA-N 444.491 2.891 0 40 IFAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1 10201778 FAQGQJMQBKNYBA-VQTJNVASSA-N 427.501 2.994 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 11904789 PKSDVOMOUNIYBP-UHFFFAOYSA-N 446.909 2.963 0 40 IFAB O=C1NC2(CCN(C(=O)c3ccc(Cn4cc(Cl)cn4)o3)CC2)Nc2ccccc21 12117914 PAMCUPKYGPMTNH-UHFFFAOYSA-N 425.876 2.966 0 40 IFAB CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 12231488 YOMCAPNOHWTMJJ-UHFFFAOYSA-N 444.898 2.950 0 40 IFAB COc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 12364825 UEWKPCZAPGTTGO-HDICACEKSA-N 442.512 2.609 0 40 IFAB Cc1oc2nc(SCC(=O)N3CCNC3=O)nc(NC(=O)c3ccccc3)c2c1C 12765550 YUYOGXCVFYEEHP-UHFFFAOYSA-N 425.470 2.736 0 40 IFAB CC(C)CN(C(=O)c1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12927000 YJBKIFBIRUHAMY-UHFFFAOYSA-N 428.439 2.748 0 40 IFAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 13150051 PJJSIDAFCBJVOW-OAQYLSRUSA-N 435.446 2.884 0 40 IFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 14093531 LUWCHGOZSNIPJR-NVXWUHKLSA-N 432.484 2.850 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CCC(=O)NC(=O)NC13CC4CC(CC(C4)C1)C3)C2=O 14163820 DYHVTCUIFFSRQB-UHFFFAOYSA-N 430.549 2.672 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14242841 AHXAFGZPDGRFGY-IEBWSBKVSA-N 425.554 2.985 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)c(C)c1 14921499 IDPCXVYUBDXAAE-INIZCTEOSA-N 436.965 2.685 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OC 15582969 RKBLVQWUMYJNJS-INIZCTEOSA-N 436.505 2.560 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(F)cc2)CC3)ccc1F 15780621 VPVZBYHSHMWKKV-UHFFFAOYSA-N 436.480 2.927 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)NC3CC3)c12 16992727 JIOXUJUAVZRTOZ-MRXNPFEDSA-N 428.489 2.798 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19572419 LJFCMNSXAFQSOB-UHFFFAOYSA-N 446.544 2.704 0 40 IFAB COc1ccc(OC)c(Cc2ccc([C@H]3CN(C(=O)c4cnn(C)c4C)CCO3)nc2)c1 19692356 JJLIQUCHEPLTAE-HSZRJFAPSA-N 436.512 2.945 0 40 IFAB CNc1ncccc1CN1CCc2nc(N)c(C(=O)NCc3cccc(OC)c3)cc2C1 19701002 YFXVTXCLLHOOQT-UHFFFAOYSA-N 432.528 2.597 0 40 IFAB COc1cc2cc(C(=O)N[C@H](C(=O)Nc3ccccn3)C(C)C)[nH]c2c(OC)c1OC 20719726 CMYKNMFTLZGZFJ-KRWDZBQOSA-N 426.473 2.982 0 40 IFAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 21600812 GSFWPNZSIUACGQ-JKSUJKDBSA-N 425.460 2.726 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 22019870 WZCORBCXIRWRNU-UHFFFAOYSA-N 448.522 2.756 0 40 IFAB CCOc1ccc(CCCNC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 22333274 XMSLPWBVDGOLQM-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 22337901 DIIXYVDKBHFFAW-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 23107946 WYADWHAIIFJWJE-UHFFFAOYSA-N 433.839 2.901 0 40 IFAB O=C(CN1CCN(Cc2nc(-c3ccco3)cs2)CC1)NCc1ccc2c(c1)OCO2 23145365 RTUPZAHWFBHAAF-UHFFFAOYSA-N 440.525 2.566 0 40 IFAB CC(C)Oc1ccc(CNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 30863552 XVTOXLRZUKPWDP-INIZCTEOSA-N 448.541 2.716 0 40 IFAB CCn1c(=O)n(CC(=O)N[C@@H](C)CCN2CCN(c3cccc(C)c3)CC2)c2ccccc21 32019908 BARMMLVRPIPWOH-NRFANRHFSA-N 449.599 2.848 0 40 IFAB CCN(CC(=O)NC[C@H]1COc2ccccc2O1)CC(=O)Nc1cc(Cl)ccc1C 32753370 WYOJIQPLRRSSJN-KRWDZBQOSA-N 431.920 2.865 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)nc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 32876126 BOCVWIGKUIJFRD-UHFFFAOYSA-N 436.475 2.956 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1ccc(Cl)s1 33468218 QNYFCELIOZXORM-UHFFFAOYSA-N 443.930 2.771 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@H](C)[C@@H]4[C@]34C=C[C@H]2O4)c1 35485210 SOLPERFSTZHDQZ-KRMLTOGCSA-N 448.475 2.728 0 40 IFAB biogenic COc1ccccc1CNC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 35485521 MDUCHHWJBXGZKD-XWEVFREBSA-N 435.568 2.949 0 40 IFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(OCc3ccccn3)cc1)CC(=O)N2 36358115 LWNDJRTWJWUBIY-SFHVURJKSA-N 428.452 2.712 0 40 IFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 57316182 BNGXXUPXBLFMIF-UHFFFAOYSA-N 440.569 2.969 0 40 IFAB COC(=O)c1c(SCc2cc3c(cc2Br)OCCO3)nc(=O)[nH]c1C 61413668 GIESFCSTJVTZKF-UHFFFAOYSA-N 427.276 2.691 0 40 IFAB CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 95469685 GFWWQCCDGSGJFO-NSHDSACASA-N 437.260 2.515 0 40 IFAB O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 170593799 DDDPLLOHRYKKSO-MPGHIAIKSA-N 426.322 2.658 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC)c1ccc(OC)cc1 216276651 ABOAAECXJGSBOG-GOSISDBHSA-N 434.514 2.848 0 40 IFAB COc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)c1 220152211 QBHBFHAZXCFSAB-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222573259 QIMRSTQXVPVPEH-HNNXBMFYSA-N 441.915 2.880 0 40 IFAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1N1CCCC1=O 225417387 YHBMZIRTPLFMTE-INIZCTEOSA-N 445.541 2.924 0 40 IFAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)c4ccc(COC)cc4)CCO3)n2)cn1 257256648 KMJFJDIPVNGCJH-HSZRJFAPSA-N 446.507 2.863 0 40 IFAB Cc1cc(C)n(CCCC(=O)N(C)C[C@@]2(O)CCCN(c3ccnc4ccncc34)C2)n1 257302544 SDGXEJQBDHNEGB-DEOSSOPVSA-N 436.560 2.713 0 40 IFAB CCOCc1ccc(C(=O)N2CC[C@@H](c3nc4c(c(NC)n3)CN(C(C)=O)CC4)C2)cc1 257323340 WJTKYRJLDBGNSB-LJQANCHMSA-N 437.544 2.589 0 40 IFAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1OC 260941253 RZVFKEOUUJESDP-OAHLLOKOSA-N 432.542 2.836 0 40 IFAB O=c1c(=O)n2c(nn1Cc1cccs1)[C@]1(CCN(Cc3ccc(Cl)cc3)C1)CC2 306130508 JIONJBOTXJJXOB-OAQYLSRUSA-N 428.945 2.716 0 40 IFAB CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(I)c1OC 409032680 MHVYUYDRZDFZTE-XFFZJAGNSA-N 432.283 2.728 0 40 IFAB COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 409191104 ZUMLRJMGPGCCEJ-BHIFYINESA-N 426.472 2.881 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O 409239839 FNKORXNRBUCMAX-RIYZIHGNSA-N 431.832 2.594 0 40 IFAB COC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)c1ccccc1F 610894300 QAOBOLORMCCBLV-PMACEKPBSA-N 429.423 2.524 0 40 IFAB CC[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1694185832 ZWSJHLFXLVIBTQ-INIZCTEOSA-N 430.578 2.754 0 40 IFAB COc1cc(=O)n(C)cc1C(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1776001285 JQWRVHTXVAPBHY-ZDUSSCGKSA-N 425.407 2.739 0 40 IFAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(Br)c3)CC2)n1 1889138819 PEBWVTJLVUWPSM-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB CC(C)CNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 891286 BHUDLWMQMBRXDK-QGZVFWFLSA-N 431.558 2.811 0 40 IFAB CN(CC(=O)N1CCN(c2ccccc2Cl)CC1)S(=O)(=O)c1ccc(Cl)cc1 3314141 CFEPGQMOEHSHBI-UHFFFAOYSA-N 442.368 2.963 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NCc1ccccc1 3318492 CGBDYGKQCDOKKU-UHFFFAOYSA-N 438.505 2.638 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C(O)N(c3ccccc3F)C2=O)cc1 3626893 ULVALYAYYZUZCL-INIZCTEOSA-N 431.367 2.632 0 40 IFAB CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(CC)cc1 6149696 VDOJZPSFZSVCDQ-MRXNPFEDSA-N 446.573 2.708 0 40 IFAB Cc1ccc(OCc2nc(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)cc1 8704381 OGXGOZNKRSWRMP-UHFFFAOYSA-N 445.566 2.959 0 40 IFAB COC(=O)c1c(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)nc2ccccc2c1C 8729027 BAEMLRHCBHHNHC-CYBMUJFWSA-N 425.510 2.928 0 40 IFAB O=C(CSc1ncnc2ccccc12)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9119445 BLNUCNJCKBOPSX-KRWDZBQOSA-N 427.551 2.938 0 40 IFAB COc1ccc(CCNC(=O)COC(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC 9217797 DMXIIUUOJDBMAE-UHFFFAOYSA-N 439.411 2.830 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1F 9318270 ALFBIFRHSYDHIT-UHFFFAOYSA-N 447.488 2.684 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)cnc2ccccc21 9492830 ZSVSCTIYZTYQBP-UHFFFAOYSA-N 440.525 2.518 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)c1 9748990 OWSZZILCVPMLMQ-UHFFFAOYSA-N 432.278 2.941 0 40 IFAB O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9798842 KNTODJNRNNOTJY-QGZVFWFLSA-N 432.498 2.558 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3ccccc3c2=O)cc1 9845852 WUOCDGXBRGBDHD-QGZVFWFLSA-N 425.510 2.782 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)COc1cccc2c1OC(C)(C)C2 9883491 RBCNDVHUUKHLME-UHFFFAOYSA-N 449.481 2.739 0 40 IFAB Cc1ccc(Nc2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)cc1C 10212269 RJGSYYGJOOJXSH-CQSZACIVSA-N 426.589 2.636 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1C 12420579 LBRHZTGRQAJGLN-UHFFFAOYSA-N 432.542 2.937 0 40 IFAB O=C(Cn1cnc2ccc(Br)cc2c1=O)NC(=O)NCCC1=CCCCC1 12748749 WJBZDQIKYLHTPB-UHFFFAOYSA-N 433.306 2.875 0 40 IFAB Cc1cnc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)s1 12851488 LPDSRSIDSJLUTE-UHFFFAOYSA-N 443.558 2.948 0 40 IFAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C(=O)c2ccco2)CC1 13504126 WKIPQTPITOVQOB-HXUWFJFHSA-N 438.532 2.967 0 40 IFAB COc1ccc(-c2cc(NC(=O)COc3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 13720055 NFIBRJLIKKVKIG-KRWDZBQOSA-N 441.509 2.936 0 40 IFAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 14199411 QWZKNRVHJHMTSJ-UHFFFAOYSA-N 441.845 2.969 0 40 IFAB CCCc1cc(C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)no1 19525282 PROHBPXBONVJNO-UHFFFAOYSA-N 430.530 2.683 0 40 IFAB COc1ccc([C@H]([C@@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC 20191925 AUNVLATUOFSGJT-YADHBBJMSA-N 446.569 2.722 0 40 IFAB Cc1ccc(N(CCCC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 20567999 LVZFEXMZHDKVAM-UHFFFAOYSA-N 429.586 2.886 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2cc(C)ccc2C)c1=O 20611477 DYJMVMDMLFIWED-NRFANRHFSA-N 432.480 2.573 0 40 IFAB biogenic Cc1c(Cl)cccc1-n1ncc2c1N=C(O)C[C@]21C(=O)N(CC(N)=O)c2ccccc21 20720643 KDWOILACKSEBHE-JOCHJYFZSA-N 435.871 2.944 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1 20761858 YZMSVZYLPDOGCC-UNMCSNQZSA-N 434.496 2.860 0 40 IFAB biogenic O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccc[nH]1 21727693 JOPIKWMVWGJRLQ-UHFFFAOYSA-N 430.526 2.720 0 40 IFAB COc1ccc(NC(=O)CCNC(C)=O)cc1S(=O)(=O)Nc1ccccc1Cl 22617543 KTTLHUKFXCBYQR-UHFFFAOYSA-N 425.894 2.614 0 40 IFAB Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2c(F)cccc12 32722515 OLPVNONEBLZELP-UHFFFAOYSA-N 432.473 2.831 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 35400193 MXGCXHDQPCOGSY-GFCCVEGCSA-N 431.942 2.874 0 40 IFAB CCN(C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)C1CCCCC1 36447062 RSSNFCBGXOXPBS-UHFFFAOYSA-N 427.998 2.828 0 40 IFAB O=C1COc2ccc(Cl)cc2N1CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 40080344 ZZQGWHINWUYDQG-OAHLLOKOSA-N 429.908 2.747 0 40 IFAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 48326867 VDTFVPGOWZZDTH-UHFFFAOYSA-N 445.476 2.851 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)CC1 49550420 LXWACLMYWPVXPT-UHFFFAOYSA-N 429.427 2.856 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1ccccc1 57414241 NQXABCZTFGLNQI-QHCPKHFHSA-N 434.540 2.907 0 40 IFAB COc1ccc(S(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1Br 65488101 QSYINESIGTZLJY-INIZCTEOSA-N 439.331 2.710 0 40 IFAB CCCCOc1ccc(-c2cc3c4nn(CC(=O)N[C@@H](C)CC)c(=O)n4ccn3n2)cc1 67290642 POZCLJJZLNVYAH-INIZCTEOSA-N 436.516 2.904 0 40 IFAB Cc1nc(NC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)sc1C 72326841 ARJIISVEFGDBPB-ZSEKCTLFSA-N 427.530 2.651 0 40 IFAB O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1 77100428 SVWCHIREVDPFAV-UHFFFAOYSA-N 436.369 2.662 0 40 IFAB CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 79022311 DOZZAWFIPAPCLJ-ZBWQRKBMSA-N 435.409 2.779 0 40 IFAB Cc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 89686107 IBAAISBBDLFSRM-UHFFFAOYSA-N 425.514 2.554 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C[C@H](C)O1 90503016 GLICYGCVGVNGFL-STQMWFEESA-N 432.527 2.742 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 95426523 BMIQLVCFYJIUDX-QZTJIDSGSA-N 428.360 2.607 0 40 IFAB Cc1c(C)n2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 96306485 XXSNGMUWVSKOFK-UHFFFAOYSA-N 425.464 2.510 0 40 IFAB CCc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(F)c(Cl)c4)[C@H]3C2=O)cc1 101166657 XUUXEKPOFNZUBQ-QZTJIDSGSA-N 429.839 2.973 0 40 IFAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 101751342 FITTZZZYRAYFKR-QGZVFWFLSA-N 425.485 2.951 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@H]1C[C@@H]2CC[C@@H]1C2 103139551 MAKXRHGKYHEXQX-LBQONNICSA-N 435.471 2.996 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 138709557 LGTDQBIUROMIBR-UHFFFAOYSA-N 427.457 2.944 0 40 IFAB Cc1c(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 219713091 XYBQCHHGQWPLKO-UHFFFAOYSA-N 442.541 2.524 0 40 IFAB COC(=O)c1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 222676028 YTNYGIRCKKBXTI-UHFFFAOYSA-N 426.441 2.936 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 226517083 QJUQTUHYQBIKIC-XPEDFJHGSA-N 443.455 2.864 0 40 IFAB CCN(CC)C(=O)CSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 409376755 AVFQVQJGPXBWSM-UHFFFAOYSA-N 432.546 2.579 0 40 IFAB O=S(=O)(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccccc1C(F)(F)F 575414571 KYFLCWHUZSVJSU-VIFPVBQESA-N 428.358 2.900 0 40 IFAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)Cn2cnc(C3CC3)cc2=O)C1 1889149066 RQOLFYJUYRMNIM-HNNXBMFYSA-N 435.450 2.662 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ccccn4)C[C@@H]3C2)cn1 2055716069 WOBJSYCQOHMVIW-OFVILXPXSA-N 433.556 2.670 0 40 IFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 2087095723 FWDFSXDRMIWARU-UHFFFAOYSA-N 440.500 2.705 0 40 IFAB COc1ccc(/C=c2/sc3n(c2=O)CN(c2cccc(C(F)(F)F)c2)CN=3)cc1OC 1179542 UQCZYQALKASKRW-GIJQJNRQSA-N 449.454 2.829 0 40 IFAB COc1ccc(C(=O)Oc2c(OC)cc(C(=S)N3CCOCC3)cc2OC)cc1OC 2142415 CHNKPTCDWULZEZ-UHFFFAOYSA-N 447.509 2.948 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3388756 AYRMFVUWTBLPDH-UHFFFAOYSA-N 447.532 2.702 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCOCC1 3565969 YTMOVJWFLQQWPY-FNORWQNLSA-N 430.526 2.985 0 40 IFAB CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 4259086 DXGCSTARTXDVSQ-UONOGXRCSA-N 430.505 2.940 0 40 IFAB biogenic,in-vitro O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CCN(c2ccccc2)CC1 8706757 JPRRBRIITKYPEB-DEOSSOPVSA-N 448.567 2.615 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1Cl 9001053 HMTBIOUZFKEHAF-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB O=C(NCc1ccccn1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@]23C=C[C@H]1O3 9061286 PZFATHDPBKJXOJ-BMQTXXJKSA-N 429.398 2.703 0 40 IFAB CN1C(=O)N(CC(=O)Nc2cccc(I)c2)C(=O)C12CCCCC2 9282839 NWKZSFIDHBRYLH-UHFFFAOYSA-N 441.269 2.827 0 40 IFAB CCc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1 9469243 NSHPRIPYZBSEOB-UHFFFAOYSA-N 444.542 2.586 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1 9569891 DETKPTPKOWVQRP-UHFFFAOYSA-N 441.528 2.861 0 40 IFAB COc1c(C(=O)NCCCNC(=O)c2cnccn2)cc2ccccc2c1Br 9615185 HAVINPUZZMUMBK-UHFFFAOYSA-N 443.301 2.951 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)nc1C 9664041 OJUUKYPQNRKDHW-LBPRGKRZSA-N 443.572 2.872 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(C)c(C)c1 9761592 OHTHVYXFZSAKGE-UHFFFAOYSA-N 428.466 2.794 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 10833736 CZSAWLYGOSMZDX-CQSZACIVSA-N 426.922 2.878 0 40 IFAB CC1CCN([C@H](CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c2ccco2)CC1 11998611 YTFPHWKTYMZTCX-LJQANCHMSA-N 445.541 2.549 0 40 IFAB O=C1N[C@]2(COC3(CCN(C(=O)c4cccc5nccnc45)CC3)C2)Nc2ccccc21 12085466 BCHFRPSSEOXRGN-XMMPIXPASA-N 429.480 2.577 0 40 IFAB CNc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12521701 QQOCDMLGUJTXQU-HNNXBMFYSA-N 431.514 2.697 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N(C)C 12688620 ALFIDPXNPDBSDM-AWEZNQCLSA-N 441.550 2.531 0 40 IFAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O 12788654 HLIFNKURGWXZBF-HXUWFJFHSA-N 426.864 2.552 0 40 IFAB O=C(NCCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12866831 MXZRWNFRCODRPZ-UHFFFAOYSA-N 438.496 2.951 0 40 IFAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](C)NC(=O)c1ccccc1C(=O)OC 12883602 XXCDIHJKVABRPZ-AWEZNQCLSA-N 438.480 2.664 0 40 IFAB biogenic CCOc1ccc(NC(=O)CN2CCn3cccc3[C@H]2C)cc1S(=O)(=O)N(CC)CC 12943437 DBQHEWSHTXNMQH-QGZVFWFLSA-N 448.589 2.933 0 40 IFAB CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 13040253 QLZGKYZMKXFUSF-UHFFFAOYSA-N 429.586 2.841 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1OC 13131023 BOAAADVOHAQXOF-UHFFFAOYSA-N 447.948 2.781 0 40 IFAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 13149449 FQZVLOYAQKXLIK-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCCC3)c3nnnn3c2c1 13513739 SHTFMVKRIXRIQD-FQEVSTJZSA-N 433.520 2.963 0 40 IFAB COc1cccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1OC 13576044 MPKYNPBYZPNPGZ-QHCPKHFHSA-N 447.491 2.843 0 40 IFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CNC(=O)c1cccc(Br)c1 15473727 VUVGCMPRSFBMFN-UHFFFAOYSA-N 432.318 2.893 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19342792 IOGVXTJQSTTYJV-KRWDZBQOSA-N 426.542 2.884 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)c(C)n1 19524623 KLHUNXYCKMELSJ-AXAPSJFSSA-N 446.499 2.894 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c(C)n1 19524631 ZVEIHKZCQLPIPM-MRXNPFEDSA-N 449.577 2.830 0 40 IFAB CCN(CC)c1ncc2c(=O)[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2n1 19526563 ZYWHFJZVAHLHRC-UHFFFAOYSA-N 441.557 2.733 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccn(C)n2)C1 19591626 UAPABUDPWBNIFM-RUZDIDTESA-N 432.524 2.917 0 40 IFAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccccn2)CC1 19699311 JOISOFQPVMZKJP-UHFFFAOYSA-N 447.583 2.675 0 40 IFAB Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4ccncc4)C3)nc2n(Cc2ccccc2)c1=O 19743045 KKWJXEKVPQYNMS-OAQYLSRUSA-N 441.535 2.918 0 40 IFAB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc(Br)cc1 19816830 OPSGJKAMHLCCGJ-NRFANRHFSA-N 445.313 2.546 0 40 IFAB NC(=O)c1cc(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)cc(C(N)=O)c1 20992009 PFFYAPNYUJTSQZ-UHFFFAOYSA-N 449.536 2.680 0 40 IFAB O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 21774611 BFCLUJRBUJPCGM-UHFFFAOYSA-N 425.466 2.584 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23105435 DHFXFXUFJFTFMA-UHFFFAOYSA-N 435.402 2.717 0 40 IFAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@@H]1CCCO1 23196293 BXQDYXQNBRSVKT-KXBFYZLASA-N 446.525 2.946 0 40 IFAB Cc1cc(C)n(CCCNC(=O)[C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)n1 23246084 PKHYSVHEMAEXPI-ZDUSSCGKSA-N 433.361 2.680 0 40 IFAB Cc1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C2CC2)cc1 27594823 XPJSNOAFGBIYIT-UHFFFAOYSA-N 445.560 2.632 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc2ccccc2c(=O)n1Cc1ccco1 32857872 PBJBRDBQAQPFHY-UHFFFAOYSA-N 442.431 2.560 0 40 IFAB CCN1C(=O)[C@]2(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCCN12 33806970 RMUNWQPYCXCXOC-BILGYAHESA-N 443.503 2.735 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 34706511 RFAJSEZALBHGRG-LLVKDONJSA-N 443.319 2.772 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1Cl 38773063 BFUGBBHWTNLROD-UHFFFAOYSA-N 448.932 2.617 0 40 IFAB CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3cccc(Cl)c3)ccc2=O)CC1 41253674 WKFLHZVGKUENGT-UHFFFAOYSA-N 432.908 2.691 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)NCC3(CC(=O)O)CCCCC3)n2)c(F)c1 49544644 XNMAEBMGTIZXAB-UHFFFAOYSA-N 431.464 2.599 0 40 IFAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)N1CCN(C2CCCCC2)CC1 67246121 HSRUMAUDOFQFRF-UHFFFAOYSA-N 427.574 2.746 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)cc1 67335837 OVZVUTHNWKZVLW-UHFFFAOYSA-N 435.509 2.955 0 40 IFAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 72097065 LFSRABJINVNXCD-QFIPXVFZSA-N 439.531 2.600 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccccc2F)C1 72314579 AFYOYOFNRLTETA-GOSISDBHSA-N 425.507 2.698 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326696 SUJWCCCVPFFSHC-BBRCJUOPSA-N 439.556 2.945 0 40 IFAB CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1cccnc1 79477843 HWRALHYKBOMOHS-FQEVSTJZSA-N 429.952 2.908 0 40 IFAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@H](n3nccc3C(F)(F)F)C2)c1C 95995486 FTWQNFGNAIRBCR-ZDUSSCGKSA-N 430.452 2.643 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn12 96156803 NUXIOTZCTUFCNV-OAQYLSRUSA-N 433.560 2.531 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Sc4[nH]c(=O)sc4[C@]3(C)CC)C2=O)cc1 101261817 XWCNBSANBFCENW-VFGMZZLHSA-N 432.523 2.945 0 40 IFAB CC(=O)Nc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1 101503341 RNHYDVQKXBJLJI-MRXNPFEDSA-N 444.451 2.768 0 40 IFAB CC(=O)c1ccc(N2CCN([C@@H](C(=O)O)c3cn(CC(=O)O)c4ccccc34)CC2)cc1 110063235 RJWWOUFSNUNZHZ-HSZRJFAPSA-N 435.480 2.876 0 40 IFAB CCOC(=O)Cc1cnc(NC(=O)CSc2nc(=O)cc(-c3ccccc3)[nH]2)s1 215669579 XZOKSKYHDQSOHR-UHFFFAOYSA-N 430.511 2.730 0 40 IFAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 219729574 IHNIJYXAAHLGCH-UHFFFAOYSA-N 434.543 2.857 0 40 IFAB NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 222678008 FPGBICHYNOEAAQ-UHFFFAOYSA-N 439.493 2.533 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Br)c2)cc1OC 224796368 QAZUEWZYMZYUJA-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1)S(=O)(=O)c1ccc(C)cc1 226071805 PPBZDYKIFCNNCO-UHFFFAOYSA-N 440.525 2.703 0 40 IFAB O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257284233 PBUZFELPICKVLA-LJQANCHMSA-N 444.413 2.988 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408753356 OJKTWVUYPLLHKI-DPWKNNTCSA-N 440.908 2.767 0 40 IFAB CCOCCOc1ccc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 585271414 YLABCWYXUCEJPZ-SANMLTNESA-N 439.600 2.861 0 40 IFAB COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)nc(O)c32)c(OC)c1OC 670416138 QAPXTYOKQRDQFL-AWEZNQCLSA-N 428.489 2.918 0 40 IFAB COc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C 957775 GDZXOBSTZCQXAK-UHFFFAOYSA-N 426.498 2.650 0 40 IFAB CC(C)N(C(=O)CO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21)c1ccccc1 2674081 NJHYYAKMLCLPQN-AYZHRIAMSA-N 435.517 2.841 0 40 IFAB biogenic COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl 3477323 YETHJMZETFYHLD-UHFFFAOYSA-N 425.894 2.614 0 40 IFAB CC(C)CCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 4327905 FNLUEYXENPGACY-UHFFFAOYSA-N 430.553 2.581 0 40 IFAB CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccccc1Cl 6544915 MEEYKWWKAAHSRV-MFKMUULPSA-N 436.917 2.909 0 40 IFAB COc1ccccc1CCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8439406 ZUMSVRZFHZFZJQ-UHFFFAOYSA-N 429.480 2.605 0 40 IFAB O=C(c1ccc(Br)o1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 8769317 IBXBTSIJNOHIPA-UHFFFAOYSA-N 432.274 2.769 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 9264060 UIPWRYOBHFPARA-GFCCVEGCSA-N 446.558 2.889 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3c(F)cccc3Cl)C2)cc1 9382129 MELADLJXLPKILN-INIZCTEOSA-N 445.925 2.961 0 40 IFAB NC(=O)c1ccc(-c2nnn(CC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)n2)cc1 9723793 BTKJTMYSAHMRIM-FQEVSTJZSA-N 440.463 2.606 0 40 IFAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)NCc1ccc(F)cc1 11758499 HEFSJCCMJDBDCW-UHFFFAOYSA-N 426.452 2.956 0 40 IFAB Cc1cc(C)n2nc(CC(=O)N3CCC([C@@H]4CC(=O)c5cc(F)ccc5O4)CC3)nc2n1 12154171 WKPRFSYIEFXLNK-FQEVSTJZSA-N 437.475 2.695 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)NCC(=O)Nc3cccc(Cl)c3C)CC2)cc1 12515997 JZBGUMMGJGRIKP-UHFFFAOYSA-N 442.947 2.728 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 12794148 DTFQIILKILBFJX-NRFANRHFSA-N 427.482 2.647 0 40 IFAB CCn1c(CCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 16018559 IFBSGLPFLDXKFR-UHFFFAOYSA-N 444.513 2.607 0 40 IFAB COCCn1/c(=N\C(=O)c2cccc(S(C)(=O)=O)c2)sc2cc(F)cc(F)c21 16689667 UVWPWLYHNOOLOW-DYTRJAOYSA-N 426.466 2.772 0 40 IFAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2F)cc1 16955079 OIEPBYAMXHOASB-UHFFFAOYSA-N 439.472 2.675 0 40 IFAB O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 17179080 KCKXQQRWBLHLAZ-UHFFFAOYSA-N 427.888 2.832 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)c4ccc(F)cc4)nn3c(O)c2C1 19017947 MQFFGHOAXXBQJQ-HXUWFJFHSA-N 437.475 2.846 0 40 IFAB CCN(CC)S(=O)(=O)N1CCC(c2nc(-c3ccccc3)c(C(=O)N(C)C)[nH]2)CC1 19697037 XYXJCWNPVIKFFM-UHFFFAOYSA-N 433.578 2.545 0 40 IFAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1C 19826520 DAGSMQZRBPSXIQ-JOCHJYFZSA-N 430.512 2.601 0 40 IFAB COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)N1CCc2ccccc2C1 20886947 QHYMVNGNEVJHDS-GOSISDBHSA-N 434.583 2.680 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC1CCCCCCC1 22250395 QNWIZEUBJLRUAO-UHFFFAOYSA-N 444.981 2.969 0 40 IFAB COc1ccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c2ccccc12 23065888 RTHXZLFYSVUZSE-UHFFFAOYSA-N 439.468 2.537 0 40 IFAB COC[C@H](C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 23560130 SKHXWONJACRJLE-HNNXBMFYSA-N 440.525 2.647 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 23762216 MSFCMVJUJGWJLJ-APWZRJJASA-N 437.496 2.606 0 40 IFAB COCCCn1c(SCc2cc(=O)oc3cc(Br)ccc23)n[nH]c1=O 24456685 FXLANGKEXPJFIK-UHFFFAOYSA-N 426.292 2.769 0 40 IFAB CC[C@H](C)c1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 32879850 WZRFHYJAHXNIEQ-KRWDZBQOSA-N 440.569 2.993 0 40 IFAB Cc1nn2c(=O)cc(CSc3nnnn3-c3ccc(OC(F)(F)F)cc3)nc2s1 32936565 MUAMFUVCJYESPT-UHFFFAOYSA-N 441.420 2.626 0 40 IFAB CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1)c1ccc(C)cc1 36448863 IHZQEUTYVHXITF-HSZRJFAPSA-N 436.556 2.654 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N4CCC[C@@H]4CO)cc3s2)cc1 36569458 UXGOBONBQLOQEZ-CQSZACIVSA-N 447.538 2.703 0 40 IFAB COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccccc3Cl)c2=O)n1 38486658 SLDFDGOHWWCISI-UHFFFAOYSA-N 449.858 2.797 0 40 IFAB Cc1cccc(NC(=O)C2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)n1 40149139 YYGPCWIFYJFTGJ-HZPDHXFCSA-N 427.549 2.745 0 40 IFAB CC(C)(C)OC(=O)N1[C@@H](CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)COC1(C)C 40157833 RKVIBYRGJTUSHT-CHWSQXEVSA-N 447.579 2.511 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 48279232 ATBRDBAVQYXILK-GOSISDBHSA-N 447.580 2.614 0 40 IFAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3nccs3)c2=O)c1 57428057 IAVRNGFMFRYLEA-UHFFFAOYSA-N 442.522 2.767 0 40 IFAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O 57490852 JGLOSWIISBJYDL-UHFFFAOYSA-N 449.532 2.972 0 40 IFAB O=C(CN1CCN(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)CC1)Nc1ccc(F)cc1 58171338 BFNFRDKUCDCIOY-IZZDOVSWSA-N 447.514 2.867 0 40 IFAB O=C(Nc1ccc(-c2noc(O)n2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 69951029 KGCXGCCCOJKHON-AWEZNQCLSA-N 446.460 2.621 0 40 IFAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)COCCN3CCCC3=O)n2)n1 72375547 FHSRSEINMVFQMY-IBGZPJMESA-N 438.532 2.535 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)c1 79015628 HCYZGVPVRPVEPF-AWEZNQCLSA-N 428.533 2.974 0 40 IFAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 79189301 VVEAUEIOLRLSJI-NQIIRXRSSA-N 447.399 2.819 0 40 IFAB biogenic Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 89643364 SECQRIWFOMCECM-UHFFFAOYSA-N 440.934 2.591 0 40 IFAB CN1C[C@H](NCc2nccs2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113511 JKCUQQCUFIGHOH-CRAIPNDOSA-N 436.528 2.845 0 40 IFAB biogenic,in-vitro COC(=O)Nc1ccc(S(=O)(=O)NCCc2c(C)nn(-c3ccccn3)c2C)cc1 225584130 QWOSPSZITMAVCI-UHFFFAOYSA-N 429.502 2.583 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nnc(-c2cccnc2)o1 257231071 GFBTYVGIDXIQPX-MRXNPFEDSA-N 428.470 2.819 0 40 IFAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNS(=O)(=O)c4ccc(F)cc4)OCC[C@@]31C2 257314715 UYEBEQAWXUQDRK-IOEFZWJXSA-N 438.565 2.840 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@]2(CCn3ncnc3[C@H]2NC(=O)c2ccccc2)C1 306125288 CLGZYGNEEDXLNG-RDGATRHJSA-N 429.524 2.923 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)cc1 409260336 OWNNMBXVYPMUQT-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c(C)c1 512179188 ITANCXRRYFQCMU-INIZCTEOSA-N 444.431 2.986 0 40 IFAB Cc1csc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 524733431 RFIDEAYIVKHWSV-OAQYLSRUSA-N 432.505 2.925 0 40 IFAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1c[nH]c(Cl)c1)C2 585107206 RQRKPODWMZCZFB-JOCHJYFZSA-N 438.919 2.503 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NC1CCCCC1 665891 BXMLMQHHDRRZBY-UHFFFAOYSA-N 441.509 2.532 0 40 IFAB Cn1c(N)c(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(=O)n(C)c1=O 2657219 UTUIPNBVISDSMF-UHFFFAOYSA-N 448.504 2.963 0 40 IFAB Cn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(Cl)cc1 3485806 NJYBZMVJRBPZPE-UHFFFAOYSA-N 445.932 2.805 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H]2CCCN(C)C2)cc1OC 4001754 KCYGLJHIQOKFQT-OAHLLOKOSA-N 434.514 2.756 0 40 IFAB CCCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6481288 PWHQYQZROWFNSG-HNNXBMFYSA-N 445.589 2.940 0 40 IFAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1 9406704 WLJHREKXPNNARC-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2cccnc2Cl)C(C)C)cc1 9441285 MMEUPRZKBMPYOP-KRWDZBQOSA-N 439.921 2.528 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1C 9525896 UNRVLANRBZQVFT-INIZCTEOSA-N 443.887 2.632 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 9574128 UWYYOMUKWBOROC-UHFFFAOYSA-N 443.507 2.647 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)C[C@@H](C)O1 9832042 XZQCKNNXMIDCHX-IAGOWNOFSA-N 440.525 2.923 0 40 IFAB Cc1ccc(C2=NN(C(=O)Cn3nnn(-c4ccccc4)c3=O)[C@H](c3ccco3)C2)cc1 9910440 FXJMUXINCMFWBJ-FQEVSTJZSA-N 428.452 2.708 0 40 IFAB Cc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)Cn3nnnc3N)CCCCC2)cc1 9971422 ZMXNQCHVWXBZJF-UHFFFAOYSA-N 437.504 2.527 0 40 IFAB Cc1cc(O)nc(SCC(=O)N2c3ccccc3CO[C@]23C(=O)N(C)c2ccccc23)n1 10157804 LLGOXPYKPMVLTI-HSZRJFAPSA-N 448.504 2.976 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 12788818 XYUVLOFRQKPPJV-PMACEKPBSA-N 429.586 2.957 0 40 IFAB Cc1ccc(CNC(=O)CN(C(=O)[C@@]2(C)CC(=O)N=C3C=CC=CN32)C2CCCC2)cc1 13086344 VVWRQXUBQAGLMA-RUZDIDTESA-N 434.540 2.855 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1C 13148051 BHRQKSVZMQTMLF-VWLOTQADSA-N 447.491 2.927 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 13163367 HUNRUGGDVNUWMC-BSEYFRJRSA-N 449.463 2.848 0 40 IFAB CCn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)nnc1-c1ccco1 13254457 YPUOFSUUQLFRSG-MRXNPFEDSA-N 439.497 2.944 0 40 IFAB COc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1OC 15110178 NWDCQZUNVDOHNJ-QHCPKHFHSA-N 447.491 2.843 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CCC(=O)N2Cc1ccccc1 19741706 VLOGHBMMBZETCF-FQEVSTJZSA-N 430.512 2.975 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)C3)C1 19744582 IEGSEIVGCIQIMU-MRXNPFEDSA-N 432.521 2.543 0 40 IFAB Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCc2ccccc2C1 21155534 GOKOCPXIUBIYHI-HSZRJFAPSA-N 434.515 2.696 0 40 IFAB Cc1cc(=O)c(C(=O)NCC2(N3CCOCC3)CCCCC2)nn1-c1ccccc1Cl 22462467 MXMPZTUSDWHBJX-UHFFFAOYSA-N 444.963 2.959 0 40 IFAB Cc1ccccc1C(=O)NCCCN1CCN(CCCNC(=O)c2ccccc2C)CC1 23477231 CZWBUOVPIDJCNG-UHFFFAOYSA-N 436.600 2.861 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1OCC 28557463 YSUFDBUKANFNES-UHFFFAOYSA-N 438.532 2.740 0 40 IFAB CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 29285473 NADQLXRJFJSOCO-UHFFFAOYSA-N 442.459 2.947 0 40 IFAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1nnc2ccccn12 30712151 HNMHTATWWCVSMN-UHFFFAOYSA-N 425.445 2.850 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 40161679 JKGVMAINOIRUAE-UHFFFAOYSA-N 440.399 2.849 0 40 IFAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 43944087 QGBOYLJSBKHWPQ-UHFFFAOYSA-N 427.476 2.750 0 40 IFAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCN(Cc2cccs2)CC1 48299134 ACZBQTRNHLXXJJ-FQEVSTJZSA-N 428.537 2.700 0 40 IFAB CCN1N=C(SCC(=O)Nc2ccc(C(N)=O)cc2)N=C(Oc2ccccc2)[C@@H]1C 57401895 FEMWZNPIOIXAHB-AWEZNQCLSA-N 425.514 2.930 0 40 IFAB Cc1nn(C)c(Cl)c1COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 65553804 AUXCFSTYURAUSZ-ZDUSSCGKSA-N 429.901 2.665 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(NC(C)=O)c4)ncn3n2)cc1 67208934 QQFJEFKJHYDNFR-UHFFFAOYSA-N 430.468 2.718 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)c(C)c1 70921668 UGDCPCFLZGODRS-UHFFFAOYSA-N 444.557 2.569 0 40 IFAB COc1cc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)ccc1NC(=O)OC(C)(C)C 71808631 XBCDQPHAPWJSEG-CQSZACIVSA-N 442.538 2.588 0 40 IFAB COc1ccc(C(=O)N2CCC(CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)cn1 72344528 YXTNAZOGTDRQHG-UHFFFAOYSA-N 436.556 2.677 0 40 IFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)C1 95989519 MGZUDMOBPAESAS-WMZOPIPTSA-N 431.489 2.573 0 40 IFAB CC(=O)CN1CC2(CCN(CCc3ccccc3)CC2)COc2ccccc2S1(=O)=O 96145213 KLXGRGLLLRPZGW-UHFFFAOYSA-N 442.581 2.984 0 40 IFAB CCn1nc(C)c(CNc2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)c1C 101701487 KWBSKHVFXXKRHV-UHFFFAOYSA-N 427.936 2.708 0 40 IFAB COC(=O)c1cn(C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c2ccccc12 222582756 AZDINNJDIHMPEQ-UHFFFAOYSA-N 430.482 2.851 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)ccc21 225070120 JVAVQHZTIUVITO-UHFFFAOYSA-N 439.946 2.654 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 248320081 RNLHNQZTFSGCCQ-SPMMERNZSA-N 426.513 2.743 0 40 IFAB Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@H](CC(=O)NCc4nonc4C)C3)c2)n1 257271748 MZQVBCYFJZNDGM-GOSISDBHSA-N 436.516 2.739 0 40 IFAB CN(C)S(=O)(=O)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 257299196 RPCGXIRPRIJBKB-UHFFFAOYSA-N 430.456 2.620 0 40 IFAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)CCO2)n1 257317510 VJZYUASDGHPQER-SFHVURJKSA-N 440.529 2.514 0 40 IFAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CN(C(=O)Cc3nnc(N)s3)CCO2)n1 257326849 WYXBHZZFMNFFDN-GOSISDBHSA-N 427.505 2.696 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 257337505 YTAVMCCXYRGBOI-DNQXCXABSA-N 435.568 2.726 0 40 IFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 408693037 CFSXSNKDPAYCAV-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB Cn1c(=O)nc(O)c2cc(-c3nc(-c4cccc(OCc5ccccc5)n4)no3)cnc21 556349023 WQADCTCUNUZFFB-UHFFFAOYSA-N 428.408 2.725 0 40 IFAB O=C1c2ccccc2OCCN(C(=O)C2CCOCC2)CCCCC2(CO)CCN1CC2 643579248 YJNGHWKLMSYMDR-UHFFFAOYSA-N 444.572 2.719 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 728855 MJWRRXDSLOSKDR-FNGUVFISSA-N 434.517 2.725 0 40 IFAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)C1 5864142 JNDQEPCTAWGGAX-MRXNPFEDSA-N 425.485 2.592 0 40 IFAB CCN1CCN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)CC1 6953306 PPIBUBHNGYKYIU-UHFFFAOYSA-N 429.586 2.971 0 40 IFAB Cc1cc(OCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2c(C)c(C)c(=O)oc2c1 8877079 IBZVPUIHHNSFOT-MSOLQXFVSA-N 434.492 2.905 0 40 IFAB biogenic O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(-c2cn3ccsc3n2)cc1 9378221 UKRKNRCWZHQUMN-UHFFFAOYSA-N 437.506 2.740 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccco1 9419583 LBCMJLGUDIEIMU-SFHVURJKSA-N 428.876 2.974 0 40 IFAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 9566872 YYYLKFGEMAMMQG-CYBMUJFWSA-N 449.558 2.961 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC)c2)c1 9635099 KDZISZFGWBFJAK-UHFFFAOYSA-N 447.557 2.815 0 40 IFAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCS[C@@H]1c1ccccc1F 9744557 KIPXKYXGPVTHDG-KNQAVFIVSA-N 425.485 2.793 0 40 IFAB Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1nccs1 10060076 AEACGSMHWILKSL-UHFFFAOYSA-N 436.950 2.628 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 12544861 HVEGAZUFGWEIBG-KBPBESRZSA-N 428.514 2.775 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 12781281 UBXBMOGMKNDFGN-KBXCAEBGSA-N 441.484 2.730 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12797250 QFCUJBBACFSOBM-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)NC1CCCCC1 12881669 GQWDYPZGPLYPSU-UHFFFAOYSA-N 434.389 2.749 0 40 IFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1Br 12997206 CEPSKBUMDSDPPN-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB CCn1c(=O)c2ccccc2n(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1=O 13001183 AULMDVIOWRDWJI-UHFFFAOYSA-N 449.507 2.883 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 13039157 VTYZNXKBJSAZCH-LGWVBRRBSA-N 435.524 2.765 0 40 IFAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(C(=O)c2ccco2)CC1 13504150 QOKGKAKJGJVMCO-HXUWFJFHSA-N 438.532 2.967 0 40 IFAB Cc1ccc(C(=O)NCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)s1 14241594 HFBUBSYKCNWVBC-UHFFFAOYSA-N 426.464 2.939 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccccc1C(F)(F)F 15047916 HFBSKZOYEYZMKF-LJQANCHMSA-N 449.429 2.770 0 40 IFAB O=C(NC(=S)NCCCN1CCOCC1)c1cccc2c(Br)cccc12 16431527 XCMRRIBDENPKHT-UHFFFAOYSA-N 436.375 2.929 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)cc1C 19312417 VVGLIYADUJEMQP-UHFFFAOYSA-N 444.582 2.805 0 40 IFAB CCCN1C(=O)N[C@H](CCC(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)C1=O 19502551 KSMRRVZWZLATQB-MRXNPFEDSA-N 431.562 2.829 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3ccccc3NS(C)(=O)=O)C2)nc2c1CCCN2C 19707007 ZCQKZIHRTGTRKA-INIZCTEOSA-N 443.573 2.559 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccnn2C)ncc1C(=O)NCc1ccc(F)cc1 19764409 XWXYNHXJWDIMRO-IBGZPJMESA-N 436.491 2.955 0 40 IFAB O=C1N(CN2CCOCC2)c2ccccc2[C@]12OC[C@H](COc1ccc(Cl)cc1)O2 20494804 HSRQKNLJNNFPDB-PGRDOPGGSA-N 430.888 2.624 0 40 IFAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 22927860 VKGWXURBGFCIRS-UHFFFAOYSA-N 443.636 2.928 0 40 IFAB CCOc1ccc(-n2ncc(C(=O)O[C@H](C(=O)N3CCCC3)c3ccccc3)c2C)nn1 23572235 ZNIYYCJBCIZNEK-NRFANRHFSA-N 435.484 2.890 0 40 IFAB O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23786883 VBEGUGYKUQWXJR-UHFFFAOYSA-N 447.329 2.944 0 40 IFAB COc1cc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)ccc1OC(F)F 24571403 WTNPACWVZLYQKZ-CQSZACIVSA-N 448.422 2.737 0 40 IFAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1S(=O)(=O)N1CCOCC1 25302059 CMTPQOQMTQKCTG-UHFFFAOYSA-N 427.482 2.978 0 40 IFAB CCCCSc1nnc(NC(=O)CCC(=O)N2CCC(C(=O)OCC)CC2)s1 27913480 HFRXATBQSRKPKI-UHFFFAOYSA-N 428.580 2.951 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccc(Cn2ccnc2)cc1 28695863 DQVUFLQKUNFSHN-UHFFFAOYSA-N 443.433 2.864 0 40 IFAB COC(=O)c1cn(-c2ncc3c(n2)CC(C)(C)CC3=O)cc2c(=O)n(-c3ccccc3)nc1-2 30822981 FBECWDIZKGJHHQ-UHFFFAOYSA-N 443.463 2.860 0 40 IFAB C[C@H]1CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@@H](C)O1 32899243 UOWBTIDFDKETCX-CALCHBBNSA-N 449.548 2.856 0 40 IFAB O=C(CSCCc1ccccc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 32902321 UGSCGQHWGFWAMT-UHFFFAOYSA-N 438.546 2.761 0 40 IFAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(=O)NC1CCCCC1 32910446 AJQSNCXZLHSPER-ZDUSSCGKSA-N 440.529 2.748 0 40 IFAB O=C(CN1CCN(C(=O)CSc2ncnc3sccc23)CC1)Nc1cccc(F)c1 35380073 KIOLPBSXGPOMBV-UHFFFAOYSA-N 445.545 2.705 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3O[C@@H](C)C(=O)O)C2=O)o1 35394082 UZJXKRGPJMKCNH-WULZRQGASA-N 448.815 2.664 0 40 IFAB COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C 40131249 CVWLAGTXUNGVHF-INIZCTEOSA-N 425.489 2.849 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 48324949 GRYJLPYGFYBDFQ-SJORKVTESA-N 448.539 2.602 0 40 IFAB O=C(NCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1c[nH]c2ccccc12 49027858 DFKBMZVQYLECMN-UHFFFAOYSA-N 431.418 2.660 0 40 IFAB C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]2CCCC[C@@H]21 65497131 IOGWZIOWWQYFPJ-QRQLOZEOSA-N 436.574 2.944 0 40 IFAB COc1ccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1 67255243 NLZSORLEXRRSPA-UHFFFAOYSA-N 440.521 2.623 0 40 IFAB O=c1c2cnc(NCc3ccc(F)cc3F)nc2nc(O)n1-c1ccc2c(c1)OCO2 67261563 FNSHFFBSOXOUJC-UHFFFAOYSA-N 425.351 2.500 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(F)c(F)c2)c1C 71327064 MKFZMYGHYIFCGN-UHFFFAOYSA-N 443.410 2.932 0 40 IFAB COC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 72369637 UGZOMEUVIUXDKI-CRAIPNDOSA-N 443.592 2.792 0 40 IFAB CCNC(=O)COc1cccc(NS(=O)(=O)Cc2ccc(Br)cc2)c1 78902668 LCHBZNDITWOGQR-UHFFFAOYSA-N 427.320 2.906 0 40 IFAB CC(=O)N(c1nc(/C=C/C(=O)NCc2nnnn2C2CC2)cs1)c1ccccc1F 78934335 IMWQLFLIHUUCJD-RMKNXTFCSA-N 427.465 2.618 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)C[C@H]2C(=O)Nc2cc(OC)ccc2OC)c1 79067366 HRAQNMAZLYFQLT-IAGOWNOFSA-N 442.468 2.894 0 40 IFAB CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 84739839 KUVCNOLCHLDCHP-HUUCEWRRSA-N 436.350 2.709 0 40 IFAB CCN(C)Cc1cccc(CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)c1 84760880 FSRWKVMOAWPLPH-IBGZPJMESA-N 445.589 2.894 0 40 IFAB COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 89568858 OGVSKBKOFHZSKT-UHFFFAOYSA-N 431.558 2.565 0 40 IFAB CCOC(=O)C1CCN(c2nc(C)cc(=O)n2CC(=O)Nc2c(C)cccc2Cl)CC1 90610193 WINXTLZFRPYLIC-UHFFFAOYSA-N 446.935 2.932 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 95466710 KZJDVWUYHPYXMO-BFUOFWGJSA-N 436.890 2.789 0 40 IFAB CS(=O)(=O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCN(c4ccccn4)C3)o2)cc1 95973453 HBMNTYFKDZTDJN-INIZCTEOSA-N 441.509 2.666 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)cc1C 100675038 GAJDAJSUNCEMKO-LMHXZZLNSA-N 446.613 2.858 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4cccc(C)c4)no3)C2=O)cc1 101272706 PAFHNTUNYWMQQJ-MOPGFXCFSA-N 432.440 2.937 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 222742444 PPMKIZVEHHMNQT-AWEZNQCLSA-N 436.555 2.678 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 223064829 RWGRIAADLRVALB-SJLPKXTDSA-N 432.542 2.982 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)s2)cc1 224987731 MWFGWFMVPNGLPL-QGZVFWFLSA-N 444.538 2.988 0 40 IFAB CC(C)c1nc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)ccc2[nH]1 257293765 QRCOMNKUZVXTAI-NHCUHLMSSA-N 431.496 2.798 0 40 IFAB COc1ccc(CN2CCC3(CC2)COCc2nnc(C(=O)NC(C)(C)C)n2C3)cc1 306138505 RZDBGNFSODLACF-UHFFFAOYSA-N 427.549 2.628 0 40 IFAB CCc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408647539 UOFGORDNLBZLIH-UHFFFAOYSA-N 432.498 2.553 0 40 IFAB COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 408681300 RODUQIQRPFKGOF-UHFFFAOYSA-N 447.557 2.556 0 40 IFAB Cc1cc(N2CCN(C(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)CC2)nc(C(C)C)n1 560121062 OUYSDWSMJKKXPL-GOSISDBHSA-N 428.558 2.518 0 40 IFAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)NCCCCCO)cc2C1 643575505 LBDSSEGATVPNOZ-UHFFFAOYSA-N 447.620 2.787 0 40 IFAB CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc12 850078 GIWFEZJMQGPRKV-OAHLLOKOSA-N 440.525 2.517 0 40 IFAB CCOC(=O)N[C@@](Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F 2270318 HNZGOVROJXXBJZ-INIZCTEOSA-N 437.440 2.706 0 40 IFAB biogenic CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@]12C(=O)N(C)c1ccccc12 2482383 BWRQZMQKTDCLCT-VWLOTQADSA-N 448.475 2.682 0 40 IFAB COc1ccc(N(C[C@H](O)Cn2nnc3ccccc32)S(=O)(=O)c2ccccc2)cc1 6184235 UOYZEWXMTAQPCE-GOSISDBHSA-N 438.509 2.696 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 8643955 RQONXXPOOPQRLI-XMMPIXPASA-N 436.512 2.883 0 40 IFAB COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 8876196 MEUBKRROHAQNJE-SVMVAKDDSA-N 447.601 2.719 0 40 IFAB biogenic O=C(COc1ccccc1C(=O)NCc1ccccc1)NC[C@H]1COc2ccccc2O1 8880567 ODIQKTFSTXSHGI-IBGZPJMESA-N 432.476 2.952 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1 9447164 OJUNXWCXLGPULU-NDONDOTQSA-N 427.526 2.697 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 9632030 MDILJRWLQKBYJA-UHFFFAOYSA-N 433.360 2.959 0 40 IFAB COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(OC)c1 9985608 MYIBYBGABOEKKY-PSLXWICFSA-N 446.500 2.567 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccccc2C(=O)NC2CC2)cc1 11183485 KUAXRKZPKBLOQX-UHFFFAOYSA-N 444.557 2.660 0 40 IFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12542108 RYCMMHGGTXDHQE-UHFFFAOYSA-N 442.585 2.784 0 40 IFAB C[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1 12602366 FIFWPKFEPIFJCO-MRXNPFEDSA-N 428.558 2.676 0 40 IFAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(N3CCCC3=O)cc2)n1 12633909 BVDRHFANKHDDBG-UHFFFAOYSA-N 434.456 2.690 0 40 IFAB C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 12732439 HJEVSRMHKGBRKQ-CQSZACIVSA-N 427.517 2.899 0 40 IFAB COc1ccc(Br)cc1CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 12772732 XVLZXSUOMDTUGF-UHFFFAOYSA-N 444.351 2.569 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc(C(=O)OC)c1 12785898 GUKOHCYNCLMGRC-INIZCTEOSA-N 444.871 2.900 0 40 IFAB Cc1noc(-c2ccc(C(=O)NCc3ccccc3CS(=O)(=O)NC(C)C)cc2)n1 12792540 HVLNAXNLNVIBPR-UHFFFAOYSA-N 428.514 2.803 0 40 IFAB O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 13360007 HVNQDQLHSXIQAO-UHFFFAOYSA-N 436.795 2.974 0 40 IFAB CCc1cccc2c1NC(=O)[C@]21N[C@@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 15958653 NIYSKYYDTNLVOT-FXKZBUDASA-N 427.570 2.665 0 40 IFAB biogenic C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O 15978171 QODHINQOORTELR-APPDUMDISA-N 441.269 2.730 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 18109775 HPNUGHIOVUGCPQ-RDJZCZTQSA-N 448.516 2.875 0 40 IFAB C[C@H](OC(=O)c1ccc(F)cc1N)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 18750446 FBSGEFOXHKMQPN-VIFPVBQESA-N 425.338 2.957 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]c2=O)C1 19368804 ZNRMCWGMSPMDAO-NRFANRHFSA-N 443.507 2.731 0 40 IFAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 19572453 PEGZIOFUUMPCBD-JOCHJYFZSA-N 445.585 2.618 0 40 IFAB C[C@H]1CCc2nc(NC(=O)c3ccc(=O)n(CC(=O)Nc4nccs4)c3)sc2C1 19749312 AABWDJVAAPACIC-NSHDSACASA-N 429.527 2.777 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 20061869 UISQJVYXJPDQFG-UHFFFAOYSA-N 428.938 2.540 0 40 IFAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1)Nc1ccccc1 20503903 OQFAONRWSRQWMJ-QNWVGRARSA-N 434.588 2.736 0 40 IFAB biogenic,in-vitro COC(=O)c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1C 22533704 KCIGNAIKMFJKAA-QGZVFWFLSA-N 438.889 2.601 0 40 IFAB O[C@H](COc1ccc(Br)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22791604 VKMTVMBBLOHOTQ-SFHVURJKSA-N 449.345 2.735 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 23078094 AHQHWGMDKOXCCM-QHCPKHFHSA-N 428.448 2.927 0 40 IFAB Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)c1 24597677 HCRWMVXEVKHQTR-QGZVFWFLSA-N 426.897 2.959 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 25055099 ZQYFONXLCYTYTM-MRXNPFEDSA-N 444.507 2.870 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1c(=O)n(C)c2ccccc21)CC3 25454524 ZFSQCLNNHOPSKG-UHFFFAOYSA-N 432.480 2.583 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 32716838 NUEOWLSCGJCUDY-GOSISDBHSA-N 444.520 2.930 0 40 IFAB Cc1cc(Br)c(NC(=O)CN2CCC(C(N)=O)CC2)c(Br)c1 36646486 HAEKBTNZBKECAV-UHFFFAOYSA-N 433.144 2.656 0 40 IFAB O=C(NCCNc1ncccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)o1 48252957 CBRWNIVGKYKCML-UHFFFAOYSA-N 446.451 2.710 0 40 IFAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H](C)O1 48254014 NGODZMZVKPYIJB-QZTJIDSGSA-N 431.558 2.838 0 40 IFAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc2c(c1)OCCO2 57489567 XJRZZWFTCKODMM-UHFFFAOYSA-N 435.461 2.624 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@@H](C)C2 72308777 SFOXTIYZTBPENW-CHWSQXEVSA-N 436.578 2.509 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@H](C)C2 72308780 SFOXTIYZTBPENW-STQMWFEESA-N 436.578 2.509 0 40 IFAB Cc1ccc(CCC(=O)NCC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)cc1 89632223 QCGQZDCVJJQQNU-HXUWFJFHSA-N 429.586 2.637 0 40 IFAB O=C(COc1ccc(N2CCCC2=O)cc1)NC1CCN(C(=O)c2ccccc2F)CC1 89809633 VHGVDCSTZAGLEX-UHFFFAOYSA-N 439.487 2.752 0 40 IFAB Cc1ccc(N2CCN(CC3CC3)C3(CCN(C(=O)c4c(C)noc4C)CC3)C2=O)cn1 96230389 RPVKDZHOBLEENF-UHFFFAOYSA-N 437.544 2.728 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 104747801 NVWPVKPZBCFCNL-SELNLUPBSA-N 447.645 2.813 0 40 IFAB CC[C@@H]1CCc2sc(-c3nnc(SCc4cc(=O)n5nc(N)[nH]c5n4)n3C)cc2C1 105432634 PTNZPHPMFJQCCU-SNVBAGLBSA-N 442.574 2.664 0 40 IFAB CCOC(=O)[C@@H]1[C@@H](c2c(OC)ccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 106213756 SAOWSHFBPDQXGO-DAYGRLMNSA-N 428.432 2.797 0 40 IFAB C[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222930363 GKIQJZRPJCHTPE-OAHLLOKOSA-N 430.526 2.938 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225209368 JDNKRAVEINVCRA-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB CS(=O)(=O)N[C@@H](CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 225952152 AMYDLZYUBGUFEX-FQEVSTJZSA-N 435.977 2.665 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 253376326 SUJWCCCVPFFSHC-USTRSKKPSA-N 439.556 2.945 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H](C(=O)NCCc2ccccc2)O3)s1 306134741 NWYUNXBOIQHMIA-HXUWFJFHSA-N 441.597 2.721 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 408669923 XMYFUOIAFKQNSN-UHFFFAOYSA-N 430.457 2.815 0 40 IFAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)c1 408691473 ZZQHQNUSOQQNBF-UHFFFAOYSA-N 436.449 2.751 0 40 IFAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1Cl 409217811 WUBRBQLDRIOFDH-YNUIFBACSA-N 440.905 2.689 0 40 IFAB C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl 504258978 UOINRPLSZWXLKE-CYBMUJFWSA-N 435.858 2.780 0 40 IFAB Cc1ccc(Cl)c(OCC2(O)CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1 585274664 YCGQXBWBFUHOLV-UHFFFAOYSA-N 446.931 2.899 0 40 IFAB CC(=O)N1CCC(CC(=O)Nc2ccc3c(c2)ncn3C)(N2Cc3ccccc3C2=O)CC1 1548348050 FRYBQRGDBAIMCH-UHFFFAOYSA-N 445.523 2.939 0 40 IFAB O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)NCc2nc(C(F)F)no2)C1)C1CCCC1 1685391082 NJWKTRJREBKHSF-LBPRGKRZSA-N 437.451 2.948 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(C)cc1 1775968339 CGUCZJNIKVBBCY-FQEVSTJZSA-N 428.510 2.948 0 40 IFAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NCC(F)(F)F)cc1OC 3334625 VPUQIULAPULGNQ-UHFFFAOYSA-N 446.403 2.853 0 40 IFAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)cc2c1 6148929 OZECXOVGFVIECL-RXVVDRJESA-N 438.532 2.524 0 40 IFAB CC(C)n1ncc2c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc(C3CC3)nc21 9461273 JCICAQQWMJZNRN-UHFFFAOYSA-N 427.530 2.510 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)cc1 9828811 TUHISWLBJSTPCQ-UHFFFAOYSA-N 449.511 2.740 0 40 IFAB COc1cc2nc(CSCC(=O)NC3CC(C)(C)NC(C)(C)C3)[nH]c(=O)c2cc1OC 12390120 IGASZWZMUJKXED-UHFFFAOYSA-N 448.589 2.599 0 40 IFAB COc1ccc(-c2noc(CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1OC 12614090 HYJLBGVKBLFVPN-QGZVFWFLSA-N 447.451 2.898 0 40 IFAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cccc(I)c1 12758005 GBDKCJHAROARKR-GOSISDBHSA-N 436.293 2.922 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)s1 12769295 GBRXDJKCHIJMSM-FQEVSTJZSA-N 447.626 2.802 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12807041 FTRFLRAYCBJOOJ-UHFFFAOYSA-N 429.542 2.744 0 40 IFAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2Br)C1=O 12882875 AFIMGEKPISPDLT-CYBMUJFWSA-N 446.301 2.660 0 40 IFAB Cc1ccc(N(CC(=O)Nc2cc(C)on2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 13164730 BSDCVQMFAKFXCH-UHFFFAOYSA-N 443.481 2.897 0 40 IFAB COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC 13425355 DDWXVDCYDNQTBG-UHFFFAOYSA-N 440.949 2.791 0 40 IFAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1ccc(OCC)cc1 14163487 IYITZMAEAIZNQR-KRWDZBQOSA-N 432.502 2.794 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnc2sccn2c1=O 14753780 WPBYCLLHKRQVMF-UHFFFAOYSA-N 444.513 2.642 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1)N1CCCCCC1 15357326 IEVIJGOTDVEDHH-UHFFFAOYSA-N 434.389 2.702 0 40 IFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 15473002 QAKIZGHELUHFMZ-UHFFFAOYSA-N 425.432 2.793 0 40 IFAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15511671 DEORPQGXOLNKKM-UHFFFAOYSA-N 430.404 2.858 0 40 IFAB CCN1C(SCC(=O)Nc2cc(OC)ccc2OC)=NS(=O)(=O)c2ccccc21 15868377 CBQNFUUJRLXCLD-UHFFFAOYSA-N 435.527 2.960 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 16050816 NCLHSJCAHFIQSX-ZIAGYGMSSA-N 439.493 2.718 0 40 IFAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc2c(c1)OCO2 16428916 HGWSTLHLHYOZBL-UHFFFAOYSA-N 446.525 2.722 0 40 IFAB COc1cc(CN(C(=O)c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 16751882 QYNULFCQWCSZCC-KRWDZBQOSA-N 437.489 2.681 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)COc2ccccc2F)nc2c1CN(C(C)=O)CC2 19710279 JYTDQEXQYVZEFJ-LJQANCHMSA-N 441.507 2.695 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1ccc2c(c1)OCCO2 20533822 JXSICEYGSDWOMK-UHFFFAOYSA-N 433.464 2.647 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cc(Cl)c2c(c1)OCCO2 21006387 WWYZXPCNLSEGIZ-UHFFFAOYSA-N 438.889 2.854 0 40 IFAB Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 21209701 BZEWUIGILLOPIQ-UHFFFAOYSA-N 428.470 2.809 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 22388940 NFGCWVKUFUJLFB-UHFFFAOYSA-N 426.560 2.882 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(CC)c2=O)CC1 22696889 KWPAGCQBVLJITQ-NRFANRHFSA-N 429.517 2.754 0 40 IFAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccccc1C(=O)NC1CC1 22921607 MFOSUWNMOOVZSZ-UHFFFAOYSA-N 449.580 2.945 0 40 IFAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29302169 HCLOVIODCMIYOV-UHFFFAOYSA-N 431.323 2.888 0 40 IFAB O=C(Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2)N1CCCc2ccccc21 32616259 MMBMIGOHJRNJBM-UHFFFAOYSA-N 432.505 2.599 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 33487597 BAXNPHCJDDZYGS-QHCPKHFHSA-N 441.597 2.883 0 40 IFAB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OCC 33624071 SIPJVCQDGRBAFI-QGOAFFKASA-N 432.498 2.545 0 40 IFAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCCN(c4ncccn4)CC3)c[nH]c2c1 36365578 KIQMSNWDUVIFJU-HXUWFJFHSA-N 436.516 2.890 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)CC1 37203894 QZTSGQIZWGVHGY-UHFFFAOYSA-N 442.368 2.860 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 44883272 BIKSPIDNPCDJNJ-QGZVFWFLSA-N 426.542 2.960 0 40 IFAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCC2(CC(=O)O)CCCCC2)n1 49546545 AOMYCNDOTRKLGX-UHFFFAOYSA-N 431.464 2.599 0 40 IFAB O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 57985999 LDIXZQTZENGLTF-GFCCVEGCSA-N 445.385 2.903 0 40 IFAB CC(C)(C)OC(=O)NC1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1 67336650 QZHLPOWADGPDRK-UHFFFAOYSA-N 444.511 2.621 0 40 IFAB CCN1CCC(CC(=O)N2CCCC[C@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1 72372355 FXBYMNYGUFFJRW-NRFANRHFSA-N 442.608 2.599 0 40 IFAB COc1ccc(CN(CC(=O)NCCc2ccc(F)cc2)c2cnn(C)c2)c(OC)c1 78970074 HNPSIDRGRDBZCR-UHFFFAOYSA-N 426.492 2.942 0 40 IFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79480975 AUUVXUVEXKJBAD-CQSZACIVSA-N 435.937 2.525 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96103506 NFQLFAYCDRPUBX-INIZCTEOSA-N 445.946 2.594 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 101166519 XQPTWDUEAMYXSE-IAGOWNOFSA-N 442.273 2.689 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102698189 YAASJXNTQJOKMF-ROUUACIJSA-N 433.464 2.837 0 40 IFAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCc1nc(-c2c(F)cccc2F)cs1 108391506 KUFKZQCXOMYXEN-QZCPTFHJSA-N 448.447 2.684 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2ccccc2)no1)c1ccccc1F 222662021 ZXSCQEQWMSINDQ-UHFFFAOYSA-N 432.477 2.738 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 222869599 NVEHYXKAAWOPAY-LJQANCHMSA-N 434.514 2.974 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)CCCC2 222982693 WKCRGMPRLKBZNN-GOSISDBHSA-N 441.597 2.993 0 40 IFAB CCCSc1nnc(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)s1 225707947 DHRLCJYBRUPKGN-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 245228220 KRNGJMMSVZBNAO-DVOMOZLQSA-N 425.323 2.806 0 40 IFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc(N3CCCC3)cc1)CC2 257300529 RUQDEZIDLHBBPL-IBGZPJMESA-N 448.571 2.653 0 40 IFAB COc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 408646855 QIMQSFZLSFKHRD-UHFFFAOYSA-N 435.498 2.666 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CNC(=O)c1cccs1 501183794 WHMDYQNZSNGOJA-LJQANCHMSA-N 438.553 2.940 0 40 IFAB COc1nc(CNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1 575606467 IQPHFRPJDXGJAE-UHFFFAOYSA-N 426.304 2.873 0 40 IFAB Cc1nn(CCNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c(C)c1-c1ccco1 575614811 JANGETQJNPNZQN-UHFFFAOYSA-N 440.525 2.574 0 40 IFAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)c1cn(C)c3cccc(c13)N2 604405313 YTRMAMVSNWBBLF-OAQYLSRUSA-N 441.491 2.569 0 40 IFAB biogenic COc1cc(Cl)c(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1Cl 1190381199 BKXVHIUYGUKEGS-HNNXBMFYSA-N 428.359 2.591 0 40 IFAB CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)c2cc(F)ccc21 1614933607 PTSQNBRDDDLHCT-QGZVFWFLSA-N 425.504 2.513 0 40 IFAB Cc1ccc(NC(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)cc1Cl 1772595449 YEFSEKUUEKMNJU-HXUWFJFHSA-N 445.995 2.841 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6300133 DZDQWIWRBVYJOR-INIZCTEOSA-N 441.919 2.647 0 40 IFAB C[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl 6530723 CYJYOLWIHVNJIC-CYBMUJFWSA-N 433.915 2.649 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)n1 8676813 FOSWYHPWMYHFEX-UHFFFAOYSA-N 432.531 2.572 0 40 IFAB O=C1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1Cc1ccc(F)cc1 9038189 JFZAUNFFMVSGIT-AWEZNQCLSA-N 441.322 2.915 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1 9217156 ISOREXDYBORCKW-UHFFFAOYSA-N 438.556 2.623 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 9581824 KEFBQGACMFGDQS-NRFANRHFSA-N 441.553 2.591 0 40 IFAB C[C@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 9714616 HLCUEODNRSEJLL-SFHVURJKSA-N 449.555 2.924 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c(C)c1 9807459 YSRSMWNRJUQSPE-LJQANCHMSA-N 443.569 2.828 0 40 IFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 10112804 BQIVIUOUOFUNSK-HNNXBMFYSA-N 431.514 2.528 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 12274205 YZJVBZCHRWZIOF-UHFFFAOYSA-N 437.573 2.762 0 40 IFAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C(C)=O)CC3)o2)cc1 12419782 ZNKAFQSHDBLKPQ-UHFFFAOYSA-N 441.509 2.852 0 40 IFAB CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 12918898 GNJOZJJTJQDRFV-UHFFFAOYSA-N 435.634 2.921 0 40 IFAB COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(C(C)C)cc1 13501893 AEKXDNWRIKCLEF-UHFFFAOYSA-N 432.546 2.781 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CC1 13592820 AHKJRMRFDJWBAM-YRNRMSPPSA-N 433.599 2.552 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)c4cccc(F)c4)nn3c(O)c2C1 19017953 CPAIDLWGOAGYJC-FQEVSTJZSA-N 437.475 2.846 0 40 IFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)c2N)cc1 19213029 OCJYFMLGMHFRKG-GOSISDBHSA-N 437.544 2.587 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccc(F)cc1)CC1(CCN(C)CC1)O2 19218604 DMHPTQDMZUOPMV-UHFFFAOYSA-N 425.504 2.750 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 19342739 YBWAUHVAKHFOBT-OAHLLOKOSA-N 426.542 2.536 0 40 IFAB Cc1nc(C)c(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)o1 19694851 AOFAIHMZQAXCPN-KRWDZBQOSA-N 434.500 2.543 0 40 IFAB O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 20623909 PMGBMEOIKNRSLK-HXUWFJFHSA-N 443.569 2.558 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 20734823 SSWLPMCMSBGYJM-INIZCTEOSA-N 441.915 2.686 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc(C)c1 20801574 VDVSVDWZNRJAPU-LEWJYISDSA-N 438.503 2.663 0 40 IFAB O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1c(Cl)cccc1C(F)(F)F 21732783 LKFOPGPFXUKNOM-UHFFFAOYSA-N 447.797 2.705 0 40 IFAB COc1cccc(OC)c1OCCN1CCN(CCOc2c(OC)cccc2OC)CC1 22581244 JISAGXABLBLWAH-UHFFFAOYSA-N 446.544 2.796 0 40 IFAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 22938452 NOEONUVOWQKGGF-UHFFFAOYSA-N 436.512 2.719 0 40 IFAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 23107025 QVFVXIULFDFDAD-IBGZPJMESA-N 431.920 2.785 0 40 IFAB CCOc1ccccc1NC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23135203 KQWCIFDYUJIHFX-UHFFFAOYSA-N 425.468 2.550 0 40 IFAB O=C(CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1)NCc1ccccc1 23313571 ZVOGSXVHWSVOCD-UHFFFAOYSA-N 433.552 2.599 0 40 IFAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23763341 BVLHNKWUOQORHJ-UHFFFAOYSA-N 446.551 2.683 0 40 IFAB CCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1 26534062 UXZHXRGMXBRMLC-XSFVSMFZSA-N 437.496 2.968 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2csc(Cc3ccccc3)n2)CC1 40153368 MSYNYPATQJOREJ-UHFFFAOYSA-N 432.571 2.845 0 40 IFAB COc1ccc2cc([C@H](C)C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)ccc2c1 40157459 MPVDRXOPKIWHIS-BBWFWOEESA-N 434.558 2.507 0 40 IFAB O=C(Nc1cccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c1)c1ccc2[nH]cnc2c1 40158136 DOJFWEBRGNFQKT-UHFFFAOYSA-N 431.496 2.946 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855721 YRPHXOSBTONLEG-OXJNMPFZSA-N 446.525 2.641 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)c1 67336805 DZZPYAPKUDAINB-UHFFFAOYSA-N 440.431 2.558 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)c1C 71327469 FTKMLAZCEFAXBL-UHFFFAOYSA-N 441.875 2.846 0 40 IFAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 79070975 JFDJESVOILXRPG-GOSISDBHSA-N 440.544 2.639 0 40 IFAB C[C@H]1CCc2c(sc3ncnc(N[C@@H](Cc4ccccc4)C(=O)NCCC(N)=O)c23)C1 95443209 KIIUGZNGHBOIFD-YOEHRIQHSA-N 437.569 2.831 0 40 IFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 100091011 ALKCFVQKXGUQPN-FHWLQOOXSA-N 442.313 2.993 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccccc1F 101097052 JKBMCKGAWQMYHU-DVSDUFGPSA-N 425.847 2.910 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 101387319 DMFSCHGPPMXKBX-DLBZAZTESA-N 448.266 2.934 0 40 IFAB O=S(=O)(Cc1ccco1)[C@H]1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 206695558 AMBRUHDCHOCZSG-HNNXBMFYSA-N 439.433 2.556 0 40 IFAB CN(CCNC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccccc1 220049369 BKEYPDCNMFJOHR-UHFFFAOYSA-N 429.464 2.724 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)c(Cl)c2)cc1 224241374 BTKDGCIDFORFLK-UHFFFAOYSA-N 449.960 2.811 0 40 IFAB Cc1ccc(CN(CC(=O)N(C)Cc2nc(-c3ccccc3C)no2)S(C)(=O)=O)cc1 224353779 NBWPCZJCTQJKIY-UHFFFAOYSA-N 442.541 2.774 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)Nc1nnc(SCC(C)C)s1)CN2S(C)(=O)=O 225454310 RWTKMJKRFCUWSM-AWEZNQCLSA-N 442.588 2.760 0 40 IFAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NCc1ccncc1 225837872 SCHXYOBYDVJUQM-UHFFFAOYSA-N 434.237 2.985 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCO[C@H](c2cc(-c3cncnc3)cc(C)n2)C1 257315464 VBMNPJIHATYOFN-NRFANRHFSA-N 440.525 2.926 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C)c3)C2)cc1OC 260728316 AIAFIRCIPCRMPV-SFHVURJKSA-N 432.542 2.729 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1OC 260845687 VWAVLGLBJXYPBL-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB Cc1nc2c(n1CC1CC1)CN(C(=O)c1ccco1)CC21CCN(C(=O)N(C)C)CC1 306132560 LMHUXFARFSVJLX-UHFFFAOYSA-N 425.533 2.866 0 40 IFAB O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)C2)O1 306132777 LRZSQPLQYKHHPD-KEJFTWOCSA-N 446.613 2.568 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 408659681 MPOAERPWCVHDPT-YJKZWKBDSA-N 444.915 2.962 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)O 409211605 MBFKEENIDZQMBZ-LZYBPNLTSA-N 437.470 2.784 0 40 IFAB O=C1CCCN1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 585267863 KMALUFWLWSGJIY-VXKWHMMOSA-N 430.932 2.965 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 2660296 PDVSJFLFONBEFJ-GDBMZVCRSA-N 427.588 2.701 0 40 IFAB O=C1N[C@H](c2ccc(OC(F)F)cc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 3165506 ODDLHYHPRDAOEO-AHIWAGSCSA-N 431.317 2.787 0 40 IFAB CN1C(=O)[C@@](O)(CC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c2ccccc21 8444450 OTFKXOZYJSBULY-DPOKWSEZSA-N 432.476 2.803 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc(C(=O)O)cs1 8725686 FZXDENIFJAWZER-UHFFFAOYSA-N 444.556 2.730 0 40 IFAB Cc1ccc(-n2cnnc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1 9206211 DRJLISHEXGZHKB-SFHVURJKSA-N 448.614 2.935 0 40 IFAB COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 9545683 FVPOHBDQTDCXJX-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(N4CCCC4=O)cc3)C2=O)cc1 9741672 RFBODDDXHXUCRG-RUZDIDTESA-N 449.507 2.948 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1 10894203 LGCZETMFLHQDTN-UHFFFAOYSA-N 431.539 2.665 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1 12731816 PUYYOBWYYPKHLJ-UHFFFAOYSA-N 435.477 2.541 0 40 IFAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O 12767125 TZASCBMOVZIEDV-ZDUSSCGKSA-N 435.402 2.916 0 40 IFAB COC(=O)Cc1c(C(=O)OC)sc2nc(CSc3nc(C)cs3)[nH]c(=O)c12 12784872 PZTNYJUDPAYBOP-UHFFFAOYSA-N 425.513 2.544 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCn3cnc4sccc4c3=O)ccc21 12882175 NTJUGRLUOYLIAY-ZDUSSCGKSA-N 439.493 2.572 0 40 IFAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cc1 13004812 XUCZOJBTQCAPOU-UHFFFAOYSA-N 445.518 2.788 0 40 IFAB CC(=O)Nc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc3[nH]c(=O)[nH]c(=O)c23)cc1 13655961 CUSJMLGILCNDCY-UHFFFAOYSA-N 426.436 2.884 0 40 IFAB CN(C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13683480 LAVVJKDRDZKRIP-CQSZACIVSA-N 436.405 2.603 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCOCC2)cc1 14158490 MONZIPCXPYLJQP-LJQANCHMSA-N 427.526 2.543 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1OC 16640555 AGHUBVVBCDLTPK-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB O=c1c2nnn(Cc3cccc(Cl)c3)c2ncn1Cc1nc(-c2ccc(F)cc2)no1 16845468 CHWYAGPNKCZRFC-UHFFFAOYSA-N 437.822 2.927 0 40 IFAB O=S(=O)(c1ccc(CNCc2ccc(F)c(Br)c2)cc1)N1CCOCC1 17317504 WQAYPYBIBSDPTI-UHFFFAOYSA-N 443.338 2.899 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4cccnc4)C3)[nH]c(=O)c2C1 19339125 LQRQWEXVYHHVOT-KRWDZBQOSA-N 435.553 2.805 0 40 IFAB O=C(N1CCOCC1)N1CCN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 19344610 KVLZTOXIHFTIOT-UHFFFAOYSA-N 442.570 2.903 0 40 IFAB COc1cccc(N(C)CCC(=O)N2CCO[C@H](c3ccc(-c4cnc(N)nc4)cn3)C2)c1 19693555 ZEGZFHFHNGJYHM-QFIPXVFZSA-N 448.527 2.556 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)NCCc3ccc4c(c3)OCCO4)c(C)n2n1 20006198 PBJBFKHMWPZJAD-UHFFFAOYSA-N 427.530 2.526 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20451299 ZBPSLZNBNOUXMM-KRWDZBQOSA-N 438.889 2.601 0 40 IFAB Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)C[C@H](O)CC2 21981357 ABWPQNZPAOAQSG-QGZVFWFLSA-N 426.492 2.561 0 40 IFAB in-vitro Cc1ccc(OCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 22331523 RJODWAWTKJSYQJ-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB CCOC(=O)N1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697712 LWSIKPPACCPOOL-OAQYLSRUSA-N 447.507 2.511 0 40 IFAB O=C(CSc1cccc[n+]1[O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23324680 BDIYMACWHQZLQH-UHFFFAOYSA-N 432.855 2.828 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(C)cc2)nc1 24101852 DRJLMNDTDDWFCU-UHFFFAOYSA-N 446.554 2.911 0 40 IFAB O=C(NCc1cccc(CN2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 25133287 QPQIOVZWQIESQO-QFIPXVFZSA-N 441.597 3.000 0 40 IFAB O=C(Nc1ncc(Br)s1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223541 VMCNRBDYSXCDMA-NSHDSACASA-N 430.349 2.945 0 40 IFAB O=C(COc1ccccc1F)NCCn1ncc2c(NCCc3ccccc3)ncnc21 35590567 LKAFWZAKSPWJQQ-UHFFFAOYSA-N 434.475 2.815 0 40 IFAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 40390323 MKSQUBAFHWFNMZ-KBPBESRZSA-N 425.489 2.612 0 40 IFAB COc1cc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)ccc1OC(C)C 44905324 YVJIJHRZDWEPAI-OAQYLSRUSA-N 448.541 2.634 0 40 IFAB CN(CCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44917005 IWFDPESZETZXFM-LJQANCHMSA-N 437.949 2.510 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(-n3cnnn3)ccc2C)c1 59284069 BDBGYVYXKXBGRL-UHFFFAOYSA-N 428.518 2.562 0 40 IFAB CCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(c4ccccc4)CC3)c2)n1 71768247 QKDMEKCDHDMKQH-UHFFFAOYSA-N 429.484 2.842 0 40 IFAB Cc1cc(C)n(CCc2nnc(NC(=O)[C@@H](c3ccccc3)N3CCOCC3)s2)n1 72392128 FHKAIFJKUUMPNV-LJQANCHMSA-N 426.546 2.606 0 40 IFAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)nn1 77197242 GDAZTEBUXMDOAE-QFIPXVFZSA-N 435.528 2.600 0 40 IFAB O=C(CCC(=O)c1ccc(Cl)cc1)NS(=O)(=O)c1cncc(Br)c1 95955618 KLSMRTXXAWSYNF-UHFFFAOYSA-N 431.695 2.966 0 40 IFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)C1 95989517 MGZUDMOBPAESAS-FUHWJXTLSA-N 431.489 2.573 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cc(C)cc(C)c2)cc1 197691571 VIGUFAXEVDADLD-UHFFFAOYSA-N 443.569 2.531 0 40 IFAB C[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220436522 KBGPECKFARPLFZ-SNVBAGLBSA-N 430.313 2.886 0 40 IFAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)n1 225290750 IRUQGXLDPUPPGQ-UHFFFAOYSA-N 438.553 2.695 0 40 IFAB CC(C)(C)C(=O)c1cc(C(=O)O)c(=O)n(-c2ccc(I)cc2)n1 225968178 YUGREYDOSRRTCD-UHFFFAOYSA-N 426.210 2.764 0 40 IFAB CC(=O)N1[C@@H]2CN(C(=O)c3sc4ncn(C)c(=O)c4c3C)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257327174 XAHIZHMURXOHAV-CJKQYIFKSA-N 428.558 2.698 0 40 IFAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccsc2)n1 575612622 BLRWDBYDMZAIQG-KRWDZBQOSA-N 426.498 2.677 0 40 IFAB O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 862377 XLXPPTFPXBTELA-UHFFFAOYSA-N 431.297 2.972 0 40 IFAB CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 4249496 OPRQZPGTIYHVGS-AWEZNQCLSA-N 427.505 2.502 0 40 IFAB COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Br)c1N 8595425 DUOOUGSCXXBOIZ-UHFFFAOYSA-N 445.277 2.522 0 40 IFAB aggregator CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nnc4nc(C)cc(C)n34)nc2c1 9202990 SYZZBMABBPKWAR-UHFFFAOYSA-N 445.574 2.940 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 9264061 UIPWRYOBHFPARA-LBPRGKRZSA-N 446.558 2.889 0 40 IFAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)c1 9410011 DAEUQYJMWHGXSC-KDNSLJGTSA-N 436.464 2.638 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1F 9540105 FKVRNDRSFHVIGU-UHFFFAOYSA-N 446.497 2.949 0 40 IFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(Cc2ccc3c(c2)OCO3)o1 9702019 HIHCBDLNMMHEIU-UHFFFAOYSA-N 449.872 2.845 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9850092 LDJSQBHPUZYJQA-UHFFFAOYSA-N 433.549 2.794 0 40 IFAB NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 9910074 XMFBIDDJJYNOAA-GOSISDBHSA-N 447.582 2.611 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCOCC1 10543933 WZYGSYGIPANTFI-QGZVFWFLSA-N 432.542 2.824 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2n1 12230436 LDYFTGVEZGZKRS-SWLSCSKDSA-N 444.479 2.970 0 40 IFAB CCn1ncc(S(=O)(=O)N2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1C 12257846 MWISLGOBQZOJCE-CYBMUJFWSA-N 442.467 2.760 0 40 IFAB Cc1ccnc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1 12534158 VQZJVXWDYSWOBN-SFHVURJKSA-N 431.558 2.859 0 40 IFAB Cc1nn(C)c2ncc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3C(F)(F)F)cc12 12798969 OWJNKUZVSAJIHT-LLVKDONJSA-N 441.435 2.601 0 40 IFAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 12892171 GLTDUOHUWOPDNP-HZLPDVBGSA-N 443.503 2.822 0 40 IFAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 13006557 MLLLMZOQWWGVKS-UHFFFAOYSA-N 430.404 2.609 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)C1 13533348 QNFNFTMTYSRXEG-GJZGRUSLSA-N 429.517 2.917 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 13674042 BZYDVNJJADKOFF-UHFFFAOYSA-N 446.953 2.624 0 40 IFAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 14291827 KFRZXLUPVINVIC-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)n2)cc1 14363693 ILNVOPWFUVJWFU-UHFFFAOYSA-N 428.514 2.544 0 40 IFAB CN1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cn2)CC1 14520494 RERDVJRKXAZUDZ-FQEVSTJZSA-N 449.580 2.875 0 40 IFAB CN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 16051125 IRFXUXQZFFIADH-AWEZNQCLSA-N 444.534 2.766 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Br 16188425 XYRDBXFWXKJHRU-UHFFFAOYSA-N 431.283 2.856 0 40 IFAB CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5cccc(C)c5)no4)cnc32)cc1 16843407 ICEXMSXMHYDRIT-UHFFFAOYSA-N 429.440 2.783 0 40 IFAB NC(=O)c1ccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccccc3)n2)cc1 16848398 JJPQDZFTFDMKAR-UHFFFAOYSA-N 430.511 2.614 0 40 IFAB CCOc1ncccc1C(=O)N1CCC[C@H]2CN(C(=O)CCn3cnc4ccccc43)C[C@H]21 19531489 ILGSAENKVZLEHP-PGRDOPGGSA-N 447.539 2.983 0 40 IFAB O=C(C1CCCC1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699880 OFLHUTCHBPTQNC-OAQYLSRUSA-N 438.572 2.754 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 19707371 WDOMZBKSGSMBCM-QGZVFWFLSA-N 449.964 2.602 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1 21683080 LWOFNAIVXMQHBJ-UHFFFAOYSA-N 445.541 2.532 0 40 IFAB CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nn(CC)cc32)c1 21713686 AQLGNXOCAIRJTC-UHFFFAOYSA-N 449.486 2.768 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 23685116 VEPVWMPUJNXJST-KDOFPFPSSA-N 440.363 2.608 0 40 IFAB COc1ccc([C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 24712208 RUDRFJRGCDPKTD-NRFANRHFSA-N 440.525 2.623 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2Cl)C1 24995394 HBYIZPMVQLHVLW-HNNXBMFYSA-N 442.965 2.740 0 40 IFAB CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1 27663134 SGBCQGZUEPXYGX-CQSZACIVSA-N 448.566 2.805 0 40 IFAB CN(Cc1nc(-c2cccs2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 28188940 ZJCNJADVLQOOSO-UHFFFAOYSA-N 440.934 2.731 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 29895882 ABTFJPFKUPWCKH-LLVKDONJSA-N 430.404 2.798 0 40 IFAB Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1NS(C)(=O)=O 32759063 OZEUKCSIJWYSAR-UHFFFAOYSA-N 442.463 2.743 0 40 IFAB O=C(NCc1cccnc1-n1ccnc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 32778094 JVIISIFFRSYPCR-UHFFFAOYSA-N 436.475 2.956 0 40 IFAB CCc1oc2ccccc2c1CN(C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 32806079 MDZSNUVYTCVLQD-UHFFFAOYSA-N 426.517 2.959 0 40 IFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccccc2)CC1 32850755 FMWCYTBTRILYCE-UHFFFAOYSA-N 435.933 2.880 0 40 IFAB CC(C)[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccccc1 32858292 NNUFXNNRFINRGN-LJQANCHMSA-N 432.571 2.826 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 35436241 LBZQMGCQGBIHNC-LDQXTDLNSA-N 432.567 2.844 0 40 IFAB O=C1N[C@H](C(=O)NCc2ccccc2Cn2cccn2)CS[C@H]1Cc1ccccc1F 36392018 WDGAYMXZRVOJAE-SFTDATJTSA-N 438.528 2.530 0 40 IFAB CC(C)[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)OCCCO2 49581021 NKAOOHKEBSWGDZ-HSZRJFAPSA-N 436.512 2.530 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 64988606 YAYZSJLSRBMVKD-LJQANCHMSA-N 432.498 2.646 0 40 IFAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c(OC)c1OC 71279364 XMZWSMXFORVFRV-JSGCOSHPSA-N 435.502 2.701 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)NCc3ccccc3Cl)c2C)c1 71327098 JOHIXPBDKQSWCV-UHFFFAOYSA-N 443.891 2.826 0 40 IFAB Cc1nc(C2CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC2)nc(N2CCOCC2)c1C 72337212 UCGYUASVGTXICS-UHFFFAOYSA-N 447.543 2.735 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377745 HOQTWZAKQVEDAO-SFHVURJKSA-N 426.502 2.935 0 40 IFAB Cc1ccnc(Nc2cc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nc(C)n2)c1 90607974 GWRRWCFDIMEXKK-UHFFFAOYSA-N 442.520 2.882 0 40 IFAB Cc1ccc([C@@H](NCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cccs2)cc1 95347358 PMDSZJCWIVUGQQ-XMMPIXPASA-N 440.613 2.502 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1OC 102465219 BBTRNGCKYMSWCU-OKILXGFUSA-N 429.498 2.941 0 40 IFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 113894415 BMFUUURYFISDMB-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB CCOc1ccccc1CNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965014 FTPMPQNSIIQTJP-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 220169124 KBGGTWATQATYMJ-INIZCTEOSA-N 447.557 2.874 0 40 IFAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1C(C)C 223312036 BVXAQSZXIUGDNF-MRXNPFEDSA-N 425.595 2.823 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)cc1Cl 223686394 JZUOAWZZIPDMBH-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCOCc1ccccc1)=C2C 224580738 UINZVOXQKCYNJA-UHFFFAOYSA-N 446.525 2.547 0 40 IFAB COc1ccc(N(CCCC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 225063069 QJQZQOKAFUQTPI-UHFFFAOYSA-N 449.554 2.794 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225195180 JUMPGROBVMQLHG-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)s1 225530212 XCXNUPNJIUBTSF-CYBMUJFWSA-N 426.589 2.998 0 40 IFAB CN(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 248017534 QMWBLZBICHDVND-KRWDZBQOSA-N 435.977 2.993 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@@H](O)[C@H]1O 253389942 VMCFTVWDHVWSOB-HSGAMDLISA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro Cc1cc(N2CCC[C@](O)(CNC(=O)CC3(CC(=O)O)CCCC3)C2)c2cnccc2n1 257319030 VQKDBOPJOMWEAX-DEOSSOPVSA-N 440.544 2.811 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(Cc4ccncc4)C[C@@H]3c3cccnc3)C2=O)cc1 306124211 BJKXEURDONELMM-RSXGOPAZSA-N 444.535 2.882 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3cccc(OC)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306139811 UBKDJCLRXSRJOU-QPPBQGQZSA-N 426.561 2.937 0 40 IFAB COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 306141081 VKZGPIDRQKPMNE-UHFFFAOYSA-N 427.486 2.813 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 408545068 OLVBCTXKZXGOQT-QGZVFWFLSA-N 434.558 2.834 0 40 IFAB COc1cc(OC)c(OC)cc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409087567 ITZJYTUBQLGSNL-CXUHLZMHSA-N 425.441 2.552 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Cl)cc1OC 409135222 VTSZHIMBJMJNEQ-CXUHLZMHSA-N 440.905 2.642 0 40 IFAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc3c(nc2O)CCCC3=O)CC1 509418426 HRDVECWYJJJFBD-HNNXBMFYSA-N 447.495 2.875 0 40 IFAB COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC(Cc2ccccc2F)CC1 558759087 KLAILIQVPQNNPB-UHFFFAOYSA-N 441.546 2.881 0 40 IFAB CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2cccc(F)c2F)O1 585108665 STHDUQWENYVFFO-AQNXPRMDSA-N 429.467 2.709 0 40 IFAB COC(=O)C[C@]1(C(=O)OC)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 585157921 MQTWLMUGRYCDMF-DEOSSOPVSA-N 448.479 2.910 0 40 IFAB Cn1cc(CCC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)c2ccccc21 585165375 MSJCPMPFJZIUCM-IBGZPJMESA-N 449.555 2.713 0 40 IFAB COC(=O)C1=CC[C@]23CC[C@H]([C@](C)(/C=C/C=C(\C)C(=O)OC)OC2=O)[C@]3(OC(C)=O)CC1 1078028203 DXNRJQIZAXOHQJ-XPXAJDDESA-N 446.496 2.959 0 40 IFAB biogenic COC(=O)c1ccc(CN[C@H](C(=O)c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)o1 1547139321 NEQIKPQIVQWETC-GOSISDBHSA-N 427.409 2.756 0 40 IFAB biogenic C[C@@](O)(C(=O)NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(Br)c1 1636128226 RJJBDZIDWSUDIE-DJJJIMSYSA-N 428.273 2.902 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)C2CCCCC2)c(C)c1 810828 CPEOQMYKNNXETJ-UHFFFAOYSA-N 449.617 2.659 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)cc1OC 878036 DFBVICWXQKBZKN-UHFFFAOYSA-N 440.525 2.902 0 40 IFAB COc1cccc(/C=c2\sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)c1 2351357 UXEWGRIISBRLQS-YVLHZVERSA-N 430.327 2.565 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)on3)cc2)cc1 2653217 QRHVSDMUQGFLBI-UHFFFAOYSA-N 429.454 2.888 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 2664294 BBKDUOXVWXVELB-QGZVFWFLSA-N 426.469 2.583 0 40 IFAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 8729460 YUYNUUYLGVLVNN-UHFFFAOYSA-N 426.878 2.675 0 40 IFAB COc1ccc(CCNC(=O)NC[C@@H]2CN(c3ccc(OC)c(OC)c3)C(=O)O2)cc1 8868439 ZHKPIFSRONPBDO-GOSISDBHSA-N 429.473 2.580 0 40 IFAB O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCc1ccc2c(c1)OCO2 9327598 CGMIRZLYDDJZIY-UHFFFAOYSA-N 436.855 2.862 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F 9743214 KOVDODCWZIEUOP-MRXNPFEDSA-N 433.505 2.514 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 9835829 CQKZVQOCGPLHRK-IRXDYDNUSA-N 448.266 2.934 0 40 IFAB COc1cccc(C2=NO[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1OC 9856692 VIOKMTRJGUQSAT-LJQANCHMSA-N 436.468 2.633 0 40 IFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 10295506 QUEXYFBMOCMKFY-LJQANCHMSA-N 433.428 2.556 0 40 IFAB CCSc1nnc(NC(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)s1 11693267 AGPSMRXOBGJUCV-UHFFFAOYSA-N 445.505 2.714 0 40 IFAB COc1cc(C(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 11990893 BAWFLTSCAHMDFF-GOSISDBHSA-N 433.526 2.584 0 40 IFAB Cn1c(=O)n(C)c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)ccc21 12428058 LZUZHWKYJVOVHL-UHFFFAOYSA-N 442.541 2.694 0 40 IFAB Cn1c(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)nc2ccccc21 12548049 KQNFIZFJIWFIRH-UHFFFAOYSA-N 432.933 2.941 0 40 IFAB COc1ccc([C@@H](CNC(=O)CSc2nnnn2-c2cc(C)ccc2C)N(C)C)cc1 12643800 CGNNWQSFFOJICP-HXUWFJFHSA-N 440.573 2.799 0 40 IFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C 12849460 PAUWUTPQRXWWKD-RTBURBONSA-N 433.574 2.750 0 40 IFAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13700730 RAKUSXQHNCSRBV-OAHLLOKOSA-N 436.447 2.640 0 40 IFAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1cccs1 14129611 NOOGSQKYXXLPNB-VQIMIIECSA-N 449.598 2.933 0 40 IFAB Cc1ccc(CSCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 14399575 NBHIHKMNBRSAPI-UHFFFAOYSA-N 436.599 2.815 0 40 IFAB COC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 15321512 BBHYSJHXTVTVKO-UHFFFAOYSA-N 447.494 2.677 0 40 IFAB Cc1ccc(OC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 15511293 GMFSVVAORWFDEL-UHFFFAOYSA-N 430.482 2.683 0 40 IFAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19499114 KCFVOMXHPUBFSK-LJQANCHMSA-N 426.492 2.500 0 40 IFAB CC[C@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 19499819 UOQXRQHILHJIBP-GJZGRUSLSA-N 428.558 2.782 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)cc1 19692723 JIVVLTOOMCMGFX-OAQYLSRUSA-N 448.527 2.839 0 40 IFAB CC(C)N1CC[C@H](c2c(CNC(=O)[C@H]3CC(=O)N(C(C)C)C3)cnn2-c2ccccc2)C1 19707915 NTBHFSUZDNIRTC-PMACEKPBSA-N 437.588 2.943 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)CC3)C1 19739455 FOGJWINOTZQJCT-KRWDZBQOSA-N 446.548 2.933 0 40 IFAB Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)N2CCC2)n1 19767059 NGMNEPLGMXWKSA-HXUWFJFHSA-N 425.508 2.613 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 20015682 CTZCAIOENUVKLQ-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22271692 WUZPYSLSWNYVAQ-NRFANRHFSA-N 434.558 2.518 0 40 IFAB C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(NC(=O)C2CC2)cc1 23103063 FZEXJRCRVFPYEP-OAHLLOKOSA-N 429.542 2.618 0 40 IFAB CC(=O)Nc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 25971070 WZUMBYLLWDNSNP-NSHDSACASA-N 440.319 2.713 0 40 IFAB O=C(CCc1nc(-c2cccs2)no1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26935152 YUDQZUAUJZKRFO-UHFFFAOYSA-N 426.498 2.804 0 40 IFAB CNc1snc(C)c1C(=O)OCC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 29899209 GRHPDKLRMSMIKO-UHFFFAOYSA-N 442.497 2.836 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C1 32841554 MHNAHWYHKNKBKA-CQSZACIVSA-N 437.418 2.975 0 40 IFAB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2cccc(Cl)c2)CC1 35289936 NBVROXVBPALHSR-NRFANRHFSA-N 442.951 2.893 0 40 IFAB COc1cc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c(OC)cc1Cl 48310537 JVDAMOYECSPMHS-HXUWFJFHSA-N 443.887 2.771 0 40 IFAB CCN1C[C@H](CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)Oc2ccccc21 58175563 PSROFKSRRSBREX-KRWDZBQOSA-N 447.557 2.732 0 40 IFAB O=C1CN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC(=O)N1CCc1ccccc1 67285030 FBJDQTJRVJCWIY-UHFFFAOYSA-N 429.455 2.953 0 40 IFAB COc1cccc(C(=O)Nc2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)c1OC 71002917 MOWMLLWYYDXYBF-UHFFFAOYSA-N 436.472 2.604 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(CN(C)C(=O)CC(C)C)o2)cc1 72373148 SZOKMJUIUQLQAC-QGZVFWFLSA-N 436.534 2.609 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ccc(OC)nc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 72405388 BOYWVYQYZJUWKI-MRXNPFEDSA-N 442.497 2.574 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12C(=O)Nc1ccc(C)cc12 85425666 HDMOEFCHVLJEEY-DEOSSOPVSA-N 430.464 2.853 0 40 IFAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(OC)cc2)CC3)C1=O 96036581 INWIIYLOCDYKIR-XMMPIXPASA-N 428.577 2.513 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCN(C(C)C)CC1)NC2=O 100181514 FFOCZTRFLMQFOT-MXBPETCHSA-N 427.545 2.503 0 40 IFAB C[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 223889796 LFLXCAZFDPLYPE-CQSZACIVSA-N 434.468 2.621 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 224678682 ZMVTVZPKJSKLLN-IBGZPJMESA-N 445.585 2.705 0 40 IFAB CC(C)(C)NC(=S)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1 225894770 KQZQMBZNKMUVOY-UHFFFAOYSA-N 426.590 2.961 0 40 IFAB COC(=O)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 252444351 IBMSVYIXYROWOT-ZRGWGRIASA-N 438.427 2.742 0 40 IFAB CN1C(=O)CCCC[C@]12CN(C(=O)c1ccnc(N3CCOCC3)c1)C[C@H]2c1ccccc1 257273669 NHQMCOVHVJYKSJ-BKMJKUGQSA-N 448.567 2.929 0 40 IFAB CC(C)n1cnc([C@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306128782 HKGAYZMTQAKJJD-ZJSXRUAMSA-N 433.560 2.611 0 40 IFAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(C)cc1C 575420367 BGRDETJDESFHJL-IBGZPJMESA-N 430.636 2.522 0 40 IFAB O=S1(=O)C[C@@H](O)[C@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)C1 575420928 LBDSYOHBVGGFRW-WOJBJXKFSA-N 443.396 2.743 0 40 IFAB COc1nc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nc(N2CCCCC2)n1 575607840 QMWOJVRUEUDELY-UHFFFAOYSA-N 445.467 2.509 0 40 IFAB COCc1noc([C@H](C)N2CCCC3(CCCN([C@@H](C)c4nc(COC)no4)C3)C2)n1 583052481 BCHKVYOUIJZDTG-MBFMUOJQSA-N 434.541 2.746 0 40 IFAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)no1 643556976 RWNHKLZRDXSPNP-DEOSSOPVSA-N 441.528 2.712 0 40 IFAB CC(=O)N1CCCN(Cc2cccnc2)CCCN(C(=O)CN(C)C)Cc2ccccc21 643580062 PKUVHYZQYOYKJT-UHFFFAOYSA-N 437.588 2.621 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(C(=O)c1ccccn1)CC2 1549166473 FFBFWNKVAIRZNA-OAQYLSRUSA-N 434.540 2.793 0 40 IFAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NC[C@@H](O)CO)ccc21 2037931665 DXTBDRVWVMYHPM-JOCHJYFZSA-N 433.593 2.545 0 40 IFAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(Cc2cccc(OC)c2)CC3)C1=O 2055795881 NEOARIRRHGEQPP-RUZDIDTESA-N 435.572 2.826 0 40 IFAB C[C@H](Oc1nncc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3352964 CKXPXJNBIBVRJP-HNNXBMFYSA-N 426.498 2.820 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC(=O)Nc2c(C)cccc2C)C(C)C)cc1 3448355 JJPMSWDNGSGWEF-HXUWFJFHSA-N 431.558 2.670 0 40 IFAB COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C 4400222 RWBZTBMMGLIJIQ-QHCPKHFHSA-N 447.495 2.870 0 40 IFAB CCn1nc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc2c1=O 8806462 JEWUTGXDOLJMQC-UHFFFAOYSA-N 431.351 2.533 0 40 IFAB CCOc1ccccc1N1C(=O)N=C(O)[C@@]2(Cc3ccccc3N3CCN(C)C[C@@H]32)C1=O 8974672 RJACSUWJZCCQGC-YKSBVNFPSA-N 434.496 2.872 0 40 IFAB CC(C)(C)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 9439977 GTGBURYIHDAVKA-UHFFFAOYSA-N 426.441 2.837 0 40 IFAB O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9494965 YVWQKDOHGAQKSY-UHFFFAOYSA-N 430.860 2.530 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(F)cc1 9761833 NRXYWRZXOUNMAL-UHFFFAOYSA-N 425.416 2.874 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 12789784 UCHAAJKSOJEUKU-UKRRQHHQSA-N 438.933 2.843 0 40 IFAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN(C)CC(=O)N(C)C 12894168 NEUWOBSWIYHQIB-UHFFFAOYSA-N 433.530 2.559 0 40 IFAB CCOC(=O)c1ccc(OC[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 12947960 BAHBNACGNJLQMB-INIZCTEOSA-N 447.289 2.719 0 40 IFAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1F 12976712 YLIQOSGWKCVKCN-DHZHZOJOSA-N 436.505 2.765 0 40 IFAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2Cl)ccc1F 13371830 AGBCWAFBRXMHSM-ROUUACIJSA-N 431.938 2.517 0 40 IFAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCCC1=O 13571840 MUDHYFHPIKLZIS-CYBMUJFWSA-N 432.904 2.831 0 40 IFAB Cc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)[C@@H]1CSC(=O)C1 15935970 LFYSGRLLMMPJFN-INIZCTEOSA-N 426.494 2.653 0 40 IFAB CCOc1c(Br)cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC 17114171 COQUIEQAAOAXCQ-UHFFFAOYSA-N 440.294 2.756 0 40 IFAB O=C(Cc1ccccc1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695590 BSGKOILJPBNZEO-SANMLTNESA-N 429.520 2.781 0 40 IFAB Cc1cc(C(=O)N2CC[C@@](Cc3cc(C4CCCCC4)no3)(C(=O)N(C)C)C2)nc(N)n1 19739206 DITMTWAOMAEPDQ-QHCPKHFHSA-N 440.548 2.566 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)c3ccnn3C)nc21 19744283 UWDLTYCFUPHJSX-SFHVURJKSA-N 446.511 2.594 0 40 IFAB O=C(Cn1cc(C(=O)Nc2ccccc2CN2CCCC2)ccc1=O)Nc1nccs1 19750999 IEFZMLZOFMDVAO-UHFFFAOYSA-N 437.525 2.792 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2Cl)cc1 20107369 YFRSYZMANDVTMK-UHFFFAOYSA-N 435.933 2.787 0 40 IFAB O=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CCCCC3)cc2[nH]c1=O 23399695 LHCPVEWMGJIWDF-UHFFFAOYSA-N 431.489 2.879 0 40 IFAB COc1cc(CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)ccc1OC(F)F 24571401 WTNPACWVZLYQKZ-AWEZNQCLSA-N 448.422 2.737 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 31210957 VEILYFHCHOBEEV-AWEZNQCLSA-N 426.330 2.747 0 40 IFAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945119 VTJOMLMEAWXUKA-QFIPXVFZSA-N 432.524 2.576 0 40 IFAB CCCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 57427266 FLCVMNGGMNCPCS-UHFFFAOYSA-N 444.532 2.513 0 40 IFAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccc(Cl)cc1 57520240 TZFFJFYPSBFTJR-UHFFFAOYSA-N 428.905 2.939 0 40 IFAB Cn1c(=O)n(CC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c2ccccc21 58168566 HSMINLJUFOSAPZ-INIZCTEOSA-N 435.459 2.935 0 40 IFAB CSc1nc2cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2c(=O)n1CC(C)C 67320066 NFLVSZOEBJMIOD-UHFFFAOYSA-N 442.541 2.929 0 40 IFAB CCc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 71328358 BFNPTIQPDCBLSS-UHFFFAOYSA-N 447.451 2.993 0 40 IFAB COc1ccccc1S(=O)(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 72391108 BGFDAMGCTNOEAN-UHFFFAOYSA-N 430.526 2.820 0 40 IFAB C[C@]12CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]1NC(=O)c1ccccc1C2=O 72395560 OXKXLCRRJLBFNB-APWZRJJASA-N 438.427 2.711 0 40 IFAB COCCN(CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1)C(=O)OC(C)(C)C 78971587 CYWLYJNJIBAVQO-IBGZPJMESA-N 433.549 2.681 0 40 IFAB C[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@@H]1CNC(=O)OC(C)(C)C 78992496 YSLYKFZVNATWSI-CRAIPNDOSA-N 444.532 2.504 0 40 IFAB CCN1CCN(C(=O)Cc2ccc(NC(=O)/C=C/c3ccc(C(=O)OC)cc3)cc2)CC1 79025386 XRHULZJAIMAOFE-MDWZMJQESA-N 435.524 2.832 0 40 IFAB COc1cccc2c1ccn2CCNC(=O)c1cc(Br)ccc1-n1cnnn1 80336601 PHJDEHGYXQJJAK-UHFFFAOYSA-N 441.289 2.818 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N1CCc3ccccc3C1)=C2C 219188286 JAMQTEIQWJKVER-UHFFFAOYSA-N 428.510 2.799 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222508850 REBJWNBLELBPDO-MRXNPFEDSA-N 427.885 2.761 0 40 IFAB CN(CCCC(=O)NCc1ccc(CN2CCCC2)cc1)S(=O)(=O)c1ccccc1 224506564 DMVQGIRVACPBDW-UHFFFAOYSA-N 429.586 3.000 0 40 IFAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(N4CCCC4)ncn3)cc2)c1C 225536565 YYHJBFAYSAZOIM-UHFFFAOYSA-N 442.501 2.735 0 40 IFAB CCCc1nnsc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544450 VLCSKQFACRFZAD-UHFFFAOYSA-N 430.509 2.599 0 40 IFAB Cc1cc(OC2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)cc(=O)n1C1CC1 244975144 IDJQZFLSOZQJQC-UHFFFAOYSA-N 428.432 2.962 0 40 IFAB COCCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)C1 257303285 SGOXJFFKAKJZDQ-QGZVFWFLSA-N 426.492 2.756 0 40 IFAB CN(C)c1ccccc1CN1CCOC[C@@]2(CC[C@H](CNC(=O)C3CC(F)(F)C3)O2)C1 306133853 MXVJYOXZHJRNKH-DENIHFKCSA-N 437.531 2.664 0 40 IFAB COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)CCc3ccccc3)C2)cc1 306140875 VFYOAJPJWFDRDI-VWLOTQADSA-N 430.508 2.821 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccc(F)cc1 408620749 LMKFBWMBNKSXER-UHFFFAOYSA-N 439.940 2.590 0 40 IFAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1ccc(F)cc1 408659957 KJJCZCZKJCMEDH-VUEDXXQZSA-N 434.423 2.933 0 40 IFAB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 408662061 WXHHWPYXQSPFRD-INIZCTEOSA-N 443.887 2.632 0 40 IFAB COc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408710207 SAAUKPNFIYQMDD-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB O=C(Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1)N1CCN(c2ccccn2)CC1 409144011 NTYRUIBBKVSYBF-UHFFFAOYSA-N 436.497 2.699 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409162447 VIOHITFYAORIFY-CPNJWEJPSA-N 439.493 2.904 0 40 IFAB CCCN(CCC)C(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 409377180 FLJZHHGTOJXBFT-UHFFFAOYSA-N 432.546 2.742 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)CCNC(=O)c1ccco1 501148415 GYEPYZTZAYXYIY-HXUWFJFHSA-N 436.512 2.861 0 40 IFAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 524011320 BDWIJPGFEPIQCF-HSZRJFAPSA-N 446.555 2.753 0 40 IFAB CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCOc1ccccc1-c1ccccc1 554303164 RHKBLFTVZKQQQB-LJQANCHMSA-N 431.558 2.846 0 40 IFAB CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccc(OCC)cc2s1 2025050 OEEGQOJGFOZLIE-UHFFFAOYSA-N 447.502 2.710 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 2659038 BWUQUYWEELSXRX-UXBLZVDNSA-N 442.537 2.857 0 40 IFAB COc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 3207408 SIHOKEFOTSMRHX-UHFFFAOYSA-N 433.511 2.706 0 40 IFAB CCCCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O 6510073 FGVVWQCSIUOFNA-UHFFFAOYSA-N 427.549 2.505 0 40 IFAB CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1Br 8399500 LODIWOQFQSAMPW-OAHLLOKOSA-N 429.336 2.830 0 40 IFAB Cc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1C 8611399 FFVMMHBVKRSMIG-UHFFFAOYSA-N 425.576 2.918 0 40 IFAB COc1ccccc1C[C@@]1(C)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3C)n2)C1=O 8779803 AFJQGIRNUWTZHX-HSZRJFAPSA-N 447.499 2.568 0 40 IFAB CCn1c(=O)c(C(=O)CNc2ccc(Cl)cc2F)c(N)n(Cc2ccccc2)c1=O 9128106 KJUYUXQEYSYDTN-UHFFFAOYSA-N 430.867 2.748 0 40 IFAB COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4CCC[C@@H]43)C2=O)cc1 9128986 SAIOMVGMCIZMNJ-NTKDMRAZSA-N 437.471 2.667 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3O)C2=O)c1 9310867 QFEIJTQVWRBTQG-OQLLNIDSSA-N 430.258 2.995 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(OC)cc2)cc1 9348665 YQSLNUVDCZUSKY-QHCPKHFHSA-N 447.491 2.843 0 40 IFAB CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)[C@@H]1CCS(=O)(=O)C1 9349042 SUSXXPDSWDHZNB-MRXNPFEDSA-N 446.594 2.915 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)NCc3nnc4ccccn34)cc2)c1 9387251 UFUPAHRENXDALY-UHFFFAOYSA-N 431.452 2.685 0 40 IFAB CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)n1cnc2ccccc2c1=O 9448539 WVSOBYZAVVIGBC-QGZVFWFLSA-N 425.441 2.790 0 40 IFAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N1CCN(c2ncccn2)CC1 9477118 NAEHSLIAJPQZKV-UHFFFAOYSA-N 442.475 2.978 0 40 IFAB biogenic Cc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1S(=O)(=O)N(C)CCO 9487336 IQFCLUKFKKJFLT-UHFFFAOYSA-N 439.541 2.989 0 40 IFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 9518825 BMODYTVCHJOMFA-UHFFFAOYSA-N 435.480 2.738 0 40 IFAB Cc1ccc(NC2=N[C@@]3(C(=O)Nc4ccccc43)n3c(nc4c3=Nc3ccccc3-4)=N2)cc1 9668947 BKRMHZJFEPTTRM-RUZDIDTESA-N 431.459 2.878 0 40 IFAB Cc1c(C(=O)NCCO)nnn1-c1ccc2noc(-c3ccc(Br)cc3)c2c1 11692862 PFYBXTAVNUJTRJ-UHFFFAOYSA-N 442.273 2.869 0 40 IFAB O=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1cccc(Cl)c1Cl 11746772 MZIALLJVEYRDLR-UHFFFAOYSA-N 439.324 2.981 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(cc1C(=O)O)OCCO2 12541864 LILGXIPYSBNVGA-UHFFFAOYSA-N 444.259 2.728 0 40 IFAB Cn1c(CCC(=O)NCc2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12580161 YTWGNKCRAQRVJK-UHFFFAOYSA-N 440.569 2.997 0 40 IFAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12732642 SEDOZXMVIAROFR-MRXNPFEDSA-N 427.998 2.874 0 40 IFAB CC(=O)N[C@H]1[C@@H](Oc2cccc3ccccc23)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 12776341 QPPZFMUEXZZDBD-GSXXTENTSA-N 435.476 2.923 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12847017 KDLLZBQBJKFOFS-OTWHNJEPSA-N 425.529 2.724 0 40 IFAB Cc1ccc2c(C)c(CCC(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)c(=O)oc2c1 12870109 VEPNCCSVTGANNC-OAHLLOKOSA-N 428.510 2.867 0 40 IFAB COc1cc2c(c3oc(=O)c(CC(=O)NCCc4c[nH]cn4)c(C)c13)CCC(C)(C)O2 13571595 LKEGQRHONGDZAH-UHFFFAOYSA-N 425.485 2.838 0 40 IFAB biogenic COc1ccc(OC)c([C@H](C)N[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 14244247 PBBWDCYHFZPDJP-JKSUJKDBSA-N 449.573 2.940 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 18109771 HPNUGHIOVUGCPQ-DOTOQJQBSA-N 448.516 2.875 0 40 IFAB COc1ccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 18125177 DSBCFOXKQKLWGR-UHFFFAOYSA-N 438.571 2.695 0 40 IFAB COc1ccc(OC)c(Cc2ccc([C@@H]3CN(C(=O)c4ccc(N)nc4)CCO3)nc2)c1 19692300 ZGJHHUHQOOVOIC-QFIPXVFZSA-N 434.496 2.881 0 40 IFAB Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2n(Cc2ccccc2)c1=O 19743063 YZEFQROFEDUXEX-HXUWFJFHSA-N 441.535 2.918 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)ncc1C(=O)N1CCOCC1 19757801 JYGIWVXAHKCCQJ-IBGZPJMESA-N 447.539 2.687 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 19823125 LSQXEIAJPUYUEJ-DNVCBOLYSA-N 448.878 2.867 0 40 IFAB CCN(CC(=O)NCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 20014121 UKOXUQHIWQOWGW-UHFFFAOYSA-N 426.922 2.684 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 22058518 CBWYOICSCKOFAQ-LJQANCHMSA-N 435.889 2.984 0 40 IFAB O=C(NCCc1ccccn1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 24043105 MXDNVBONUHJVTF-UHFFFAOYSA-N 438.347 2.601 0 40 IFAB CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1ccc(F)cc1 24987900 WREZKSUXQITNFZ-IBGZPJMESA-N 448.516 2.971 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C(N)=O)c3ccccc3)cc2)cc1 26218668 LBEIYNFBUXMDTM-HXUWFJFHSA-N 440.477 2.879 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1Cl 30856131 IZBCNTFKIDTGTR-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB Cc1ccccc1[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 32978709 JCPQDYRVEPHEEA-HRAATJIYSA-N 432.542 2.947 0 40 IFAB Cc1nn(C(F)F)cc1S(=O)(=O)NCCCn1nc(C(F)(F)F)c2c1CCC2 36614895 LQWKTXNABOKKGH-UHFFFAOYSA-N 427.399 2.659 0 40 IFAB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)cs1 40132611 FTPOFRPDQOIYHK-UHFFFAOYSA-N 426.498 2.858 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC(O)CC3)cc2c1 57594881 NCQFXNSMNLQZJN-NRFANRHFSA-N 438.532 2.575 0 40 IFAB COC(=O)C[C@@H](NC(=O)Nc1cnc2c(c1)c(C)nn2C)c1ccc(OC)c(OC)c1 58157745 RQILQJRDSLNBNP-MRXNPFEDSA-N 427.461 2.720 0 40 IFAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C(C)C)[C@@H]3CO)cc2)cc1OC 72321173 RHJLFQWJHIOACQ-XMSQKQJNSA-N 428.485 2.625 0 40 IFAB biogenic,in-vitro COc1cc(C(=O)N2CCC([C@@H](NC(C)=O)c3nccs3)CC2)cc(OC)c1OC 72394638 NUYCGSARZWSXCL-GOSISDBHSA-N 433.530 2.899 0 40 IFAB O=C(Cn1ncc2c(c1=O)CCCC2)NCCn1ccc2cc(Br)ccc21 72401105 QRUDLDVQBBIUKZ-UHFFFAOYSA-N 429.318 2.656 0 40 IFAB COC(=O)[C@@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 95444037 XEOMURKUNOTBDR-FDDCHVKYSA-N 427.501 2.860 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3n[nH]c4cccc(F)c34)C1)CC2 96345412 RFUMHEJDQFUJLK-HNNXBMFYSA-N 438.459 2.657 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)s1 101742638 RERHQARCQQFDKR-FBIZOPLVSA-N 438.615 2.611 0 40 IFAB C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)C1 139083762 WSLDIETXOUPJIC-ZYHUDNBSSA-N 433.871 2.863 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)CCCN(c3ccccc3)S(C)(=O)=O)n2)cc1 219176102 NDBKWHFGPXUOOD-UHFFFAOYSA-N 428.514 2.908 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220092438 BFFMTEDPAHZIBF-UHFFFAOYSA-N 426.485 2.879 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 223271308 AUEUCOYBTQSEDI-QGZVFWFLSA-N 449.573 2.811 0 40 IFAB COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 224347719 MPXCURGPELZDAU-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)cc1 224441202 ZSBFRKKAAZAWKA-FGZHOGPDSA-N 446.569 2.891 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1OC 224781140 OLOMJICRRHDUJX-UHFFFAOYSA-N 431.558 2.519 0 40 IFAB COc1ccc(Cl)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225762602 VWVIHWKCLSACEI-UHFFFAOYSA-N 431.851 2.968 0 40 IFAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 226074561 MQCKISZRLHGZRJ-UHFFFAOYSA-N 448.541 2.776 0 40 IFAB COc1cccc([C@H]2C[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)c1 257223711 DYOWFKLOOHYUFQ-NWXPRMMHSA-N 447.601 2.607 0 40 IFAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(Cc2ccc(-c3ccncc3)cc2F)CCOCC1 257227758 FQTJGBHWDKCHCP-IBGZPJMESA-N 432.517 2.530 0 40 IFAB CCN1CCN(C(=O)Cn2nc(C)nc2C)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257237350 HGBONOZOUASFKF-FQEVSTJZSA-N 437.569 2.925 0 40 IFAB CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408596872 SXXCLYSGDVBREJ-RMKNXTFCSA-N 444.553 2.648 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 408623634 PEKUSQUVYSACIJ-LJQANCHMSA-N 446.569 2.532 0 40 IFAB COc1ccc(CN(C)C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408704631 QSCHPYPGMXLBCE-UHFFFAOYSA-N 434.514 2.629 0 40 IFAB Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)nc2nc(O)nc(O)c12 656418895 NMQQMUJJRNSSJZ-LXZJYRNTSA-N 445.523 2.727 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(C(=O)c1ccncc1)CC2 1549168704 YKHBXGSTLXXMIW-OAQYLSRUSA-N 434.540 2.793 0 40 IFAB C[C](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1560405217 RQSNFGHETKJLDD-HXUWFJFHSA-N 430.822 2.908 0 40 IFAB CCCNC(=O)N1CCN2CC(=O)Nc3cc(-c4cccc(OC)c4)ccc3OC[C@H]2C1 1772594830 ZJXFVUSMWMHKEH-LJQANCHMSA-N 438.528 2.799 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(S(=O)(=O)c4ccccc4F)CC3)cnc2c1 1889291347 LKBQESAWTRMWSW-UHFFFAOYSA-N 431.489 2.645 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 810434 VRBRCGMBRIAZOT-UHFFFAOYSA-N 431.297 2.805 0 40 IFAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)cc2c1 930089 LTTLHZSHVOGAMK-UGKGYDQZSA-N 433.560 2.808 0 40 IFAB CC1CCN(C(=O)CSc2nnc3n(CC(=O)NC(C)C)c4ccccc4n23)CC1 1325927 NZUNLFPQSBYKDN-UHFFFAOYSA-N 428.562 2.559 0 40 IFAB COc1ccc(CCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(N)=O)cc1OC 2226155 NINMUZUHRNPIKD-MRXNPFEDSA-N 447.944 2.777 0 40 IFAB Cc1nn(CCCNC(=O)CCS(=O)(=O)c2ccccc2)c(C)c1Br 2809535 RHKSXDADFUMZEI-UHFFFAOYSA-N 428.352 2.633 0 40 IFAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 8917060 WXKXXMIFOMGKMB-LIRRHRJNSA-N 425.462 2.534 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccccc3)n2C)cc1OC 9262650 IYQARRWSEMUXRR-UHFFFAOYSA-N 426.498 2.737 0 40 IFAB O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(=O)n3c(nc2c1)CCC3 9390411 URRYYBICTWUCLY-UHFFFAOYSA-N 431.448 2.576 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 9403366 SPFHQSRGNRTRJC-QLYCACBYSA-N 436.574 2.968 0 40 IFAB CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccccn2)CC1 9506825 HQTPMNLMWRMVOL-UHFFFAOYSA-N 445.589 2.506 0 40 IFAB Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1 9578422 XBNPCDCERYVNCW-UHFFFAOYSA-N 438.557 2.510 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)c1 9675188 FHFIIQBCRGZIQV-IAGOWNOFSA-N 431.424 2.619 0 40 IFAB C[C@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC(=O)c1ccccc1 10139182 DKIVHQFHLNUQMN-MRXNPFEDSA-N 437.496 2.801 0 40 IFAB CON(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Br)cc1 12521154 QJZROIVLKCMPLE-UHFFFAOYSA-N 449.348 2.740 0 40 IFAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 12757061 GFPSGXHFTDQVHG-UHFFFAOYSA-N 446.507 2.846 0 40 IFAB CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 13084864 JCTKBOJSTDDDLH-OAQYLSRUSA-N 427.932 2.808 0 40 IFAB Cn1cc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)c1 13810089 CJPZMPCYFPJHAQ-UHFFFAOYSA-N 445.322 2.808 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3C)n2CC)s1 13956086 VNULYDVCYKSESP-UHFFFAOYSA-N 445.574 2.932 0 40 IFAB Cc1ccc(NC(=O)NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C 16252467 WGJNCFMCWROZEC-KRWDZBQOSA-N 427.482 2.998 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C4CCOCC4)[nH]c(=O)c3C2)s1 19217032 ZJOWKEUYDVGASR-SFHVURJKSA-N 428.558 2.654 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N[C@@H]1CCOc2ccccc21 19353543 AZMMWQCGCKESJW-GOSISDBHSA-N 447.582 2.988 0 40 IFAB COc1ccc(OC[C@H](O)CN2CCN(CCc3ccccn3)CC2)c(C(C)(C)C)c1 19369618 LPXORTHSAYOOQS-OAQYLSRUSA-N 427.589 2.988 0 40 IFAB Cc1n[nH]c(C)c1CC(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 19578775 FWZVBMYUZVIGAH-NRFANRHFSA-N 428.496 2.815 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2cnccn2)CCO1 19580848 QJHXRSGEICLEKV-QHCPKHFHSA-N 436.537 2.747 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 19697884 GEVSNBRATVWGIY-HNNXBMFYSA-N 449.554 2.970 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CCc1ccc(F)cc1)C2 19707831 SWFSPNKTOVNKGY-UHFFFAOYSA-N 439.535 2.901 0 40 IFAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc2c1CN(C)CC2 19710544 BFQGCBWGOOLYTN-OAHLLOKOSA-N 433.553 2.522 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CCC(=O)N2Cc1ccccc1 19741349 JZMMPDCXYIEGCC-FQEVSTJZSA-N 447.539 2.550 0 40 IFAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCN3CCOCC3)ccc12 20566465 HLHVOLJRLGQWLP-UHFFFAOYSA-N 436.508 2.519 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)c2)cc1 22612344 KATQBGIUSQRNRM-QZTJIDSGSA-N 431.558 2.635 0 40 IFAB Cc1cc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)ccc1Br 23990049 SDGVNAZFFJCCNQ-KRWDZBQOSA-N 439.375 2.937 0 40 IFAB CCCn1c(=O)n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc21 24143246 XNUUTXZIBQNVOV-UHFFFAOYSA-N 426.561 2.854 0 40 IFAB C[C@H]1CCC[C@H](C)C12NC(=O)N(CC(=O)NCc1ccccc1OC(F)(F)F)C2=O 24840820 LLZRUWOKOIVOSK-STQMWFEESA-N 427.423 2.948 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)sc(C(=O)NC)c1C 26890042 RLKUTYVSEVRQCM-GFCCVEGCSA-N 447.488 2.724 0 40 IFAB COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc(Cl)c1OCC(N)=O 29050377 IIRHQKBBOLQDHG-INIZCTEOSA-N 440.327 2.899 0 40 IFAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 31733454 RCVZNRBLHZKDLU-UHFFFAOYSA-N 440.887 2.930 0 40 IFAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 35684963 JOGAPMYSKLYWIY-KRWDZBQOSA-N 439.497 2.986 0 40 IFAB CC(C)N(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(C)C 35714232 VGFXYVZMBOMXGG-UHFFFAOYSA-N 430.954 2.927 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@H]1c1cccs1 36612256 UNBDQWSVGTVKJB-SBNBMVPLSA-N 431.564 2.625 0 40 IFAB COC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)Cn2ccc(C(F)(F)F)n2)sc(C)c1C 36612471 WHUXMWIABGTJEO-SECBINFHSA-N 446.451 2.758 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 44948874 YCHOEOHLLUVFLX-HNNXBMFYSA-N 436.530 2.526 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1ccsc1 48249144 ZTJMUDXYRNBCGF-OXQOHEQNSA-N 449.598 2.933 0 40 IFAB COC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318315 PSLCRODNKQRPPA-JOCHJYFZSA-N 426.561 2.726 0 40 IFAB NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H]1COc2ccccc2O1 58022957 UICYSBXMPDHHAG-HSZRJFAPSA-N 432.476 2.920 0 40 IFAB O=C(OCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(Cn2cccn2)cc1 69950829 WKROOPTUQSMMTO-UHFFFAOYSA-N 436.487 2.572 0 40 IFAB C[C@H](CNC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O)N1CCCCCC1 72344591 WNQSGNYSJUFCIC-QGZVFWFLSA-N 428.508 2.620 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 77197820 RWYPBYFFMVGDKY-OLZOCXBDSA-N 438.406 2.856 0 40 IFAB O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 89814457 YKZUYAOJBBRYJB-UHFFFAOYSA-N 429.325 2.905 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1 95458864 JCUBZQOWAFXNRG-UXHICEINSA-N 429.536 2.831 0 40 IFAB COc1cn(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c(CN2CCCCCC2)cc1=O 95478806 OBSJYWLMOXDQOQ-HSZRJFAPSA-N 439.556 2.833 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219435951 LJLOMUOQPGPOLV-UHFFFAOYSA-N 443.525 2.636 0 40 IFAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)N(C)C)c1 222695950 NSGUSUXPRFXUMA-KRWDZBQOSA-N 447.557 2.565 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 223895828 ITMMKUUFFZFMBM-GFCCVEGCSA-N 440.568 2.526 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)cc1 225498741 GMKYAKWWRSWJPY-UHFFFAOYSA-N 434.533 2.984 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C[C@H]2C)c1 248105491 LHAIHZNXGFPJCX-IECBHUPTSA-N 443.613 2.950 0 40 IFAB O=C(O)COc1cccc(C(=O)N2C[C@@H](c3ccccc3F)[C@@]3(CCCCC(=O)N3)C2)c1 257207719 BIYDEUYSQOHZRF-YADARESESA-N 440.471 2.958 0 40 IFAB Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 257218634 DDWXJTQQGVNTNZ-IBGZPJMESA-N 437.544 2.874 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1OC 260588029 FDABJISBGMRSOS-SJORKVTESA-N 434.558 2.996 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 260892741 FKGHHCUBKMFXEV-CYBMUJFWSA-N 449.554 2.710 0 40 IFAB O=C(c1ccco1)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306127577 GCPDOWZJYKIDGB-HYBUGGRVSA-N 435.455 2.851 0 40 IFAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 408592810 LVRXADPLEDDELA-UHFFFAOYSA-N 442.541 2.886 0 40 IFAB Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@H](C)c4ccccc4)cc3C2=O)no1 408662851 NUWBZNPQJALBPV-CQSZACIVSA-N 433.420 2.818 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c(OC)c1 408668260 VFWXFCMKULLFEL-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB COCC12CCCCN(C(=O)CCC(=O)O)CCOc3ccccc3C(=O)N(CC1)CC2 643578915 JEWCEGTVAFQZDK-UHFFFAOYSA-N 446.544 2.812 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888908388 BJPXCQSPMZKCMO-HNNXBMFYSA-N 431.514 2.605 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C 2663091 OBIUUTAXOHKRMJ-UHFFFAOYSA-N 443.525 2.853 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 3216205 FVOMCIWXZIXYHF-KBPBESRZSA-N 445.379 2.588 0 40 IFAB CCc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1 3270286 DZENZNGVWLYFSG-CQSZACIVSA-N 434.568 2.916 0 40 IFAB COc1ccc(NC(=O)CNC(=O)c2ccco2)cc1NS(=O)(=O)c1ccc(F)cc1 3353067 NJGPLNVDHKZGMW-UHFFFAOYSA-N 447.444 2.597 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@H]4C2=O)cc1 8879492 NKGOUZCCDHHQKG-KDNSLJGTSA-N 436.464 2.638 0 40 IFAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 9158634 RCWVGOATKJUUTE-MRXNPFEDSA-N 443.500 2.829 0 40 IFAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br 9207100 HOSMUZCFDMOYRP-UHFFFAOYSA-N 444.289 2.796 0 40 IFAB CCOC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)c1 9321149 PYPHSZSCRAXJAO-UHFFFAOYSA-N 446.463 2.987 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 9416401 KMUVFTKSZGVCMY-UHFFFAOYSA-N 439.859 2.892 0 40 IFAB CN(CCOc1ccccc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9441522 LUAQRNIWCQYRBB-UHFFFAOYSA-N 431.558 2.811 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 9638925 FCIVBPVVTLASAL-UHFFFAOYSA-N 441.465 2.720 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 9674600 JGRXYGGBYMPHDP-MSOLQXFVSA-N 427.848 2.671 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9781735 GCFPWFDAYQWGFZ-FQEVSTJZSA-N 438.590 2.888 0 40 IFAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 9781743 QRYVEDKTMXKLTG-FQEVSTJZSA-N 432.480 2.628 0 40 IFAB COc1ccc(CCNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)cc1OC 9937166 FIMCHEOABJOHOE-UHFFFAOYSA-N 445.475 2.669 0 40 IFAB biogenic O=C(Cc1ccccc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 11665981 GPQLNZJKQUWQSB-UHFFFAOYSA-N 441.539 2.512 0 40 IFAB COc1ccccc1CNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233044 NBWWQDJXYLBENZ-QGZVFWFLSA-N 447.520 2.944 0 40 IFAB Cc1ccc2c(c1)N[C@@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)NS2(=O)=O 12414562 FOJXCRVKEBYSJI-GOSISDBHSA-N 426.454 2.509 0 40 IFAB COc1cc(OC)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1NC(C)=O 12485122 KMAJQWWZNGSZCV-UHFFFAOYSA-N 447.513 2.699 0 40 IFAB O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@@H]2C1 13731877 MINDMHTZAPEIRD-IAGOWNOFSA-N 432.523 2.569 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 14246397 OZFAUWUZEFGXNK-HXUWFJFHSA-N 443.525 2.848 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2Cl)C[C@@H](C)O1 16019818 DTUQYTKDSDCNRV-CHWSQXEVSA-N 448.932 2.688 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c(C)n1 19524632 ZVEIHKZCQLPIPM-INIZCTEOSA-N 449.577 2.830 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)ncc1C(=O)N1CCOCC1 19764104 PHUXTEPHMCLDAD-FQEVSTJZSA-N 445.523 2.825 0 40 IFAB O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 19817574 ZGQSDRDEQWKIGV-APWZRJJASA-N 448.479 2.903 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4)c3c2=O)cc1 22767886 FXLFUZMFYYLWDE-UHFFFAOYSA-N 443.463 2.885 0 40 IFAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C(=O)OC)cc3)C2=O)cc1 23817777 AWRFXYZYMYLURF-DEOSSOPVSA-N 437.496 2.509 0 40 IFAB Cc1cc(CN2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)CC2)no1 23908436 XBEMIWKNIXEERL-UHFFFAOYSA-N 429.480 2.640 0 40 IFAB COC(=O)c1occc1COC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl 25025477 DSGALRMZCYSCKR-UHFFFAOYSA-N 436.269 2.785 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc21 28721445 YJXURVKWOHXRBS-XMMPIXPASA-N 429.524 2.551 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30174533 KOUYXSCKZVGVLO-ZDUSSCGKSA-N 436.262 2.528 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 31353070 YHWYHYYMBMPHOU-MRXNPFEDSA-N 433.551 2.710 0 40 IFAB COc1ccc([C@@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(OC)c1 32774349 FBJHJQIPOFUITH-FQEVSTJZSA-N 429.492 2.888 0 40 IFAB Cc1nc(C)c(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)s1 36704992 FQUDRSBZNPFQHM-UHFFFAOYSA-N 436.584 2.736 0 40 IFAB CCOCCCN(C(=O)c1cccc(S(=O)(=O)N(C)OC)c1)C1=NC(C)(C)CS1 48326055 GCVSCCWLXUEEMG-UHFFFAOYSA-N 443.591 2.619 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@@H]1c1ccccc1 57414283 UXLYCZDROSVHAI-OAQYLSRUSA-N 440.931 2.943 0 40 IFAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)Cc3nnnn3CCOC)cc2c1 57615796 PNXMZUPADJUMCL-UHFFFAOYSA-N 432.528 2.926 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 72391278 KUQLPWGVNKDDIP-AREMUKBSSA-N 444.535 2.990 0 40 IFAB Cn1ccnc1SCc1ccc(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)o1 95450857 FOFOCBFVKZMGST-UHFFFAOYSA-N 446.554 2.727 0 40 IFAB Cc1nc(C)c(S(=O)(=O)Nc2cc(Br)ccc2S(C)(=O)=O)s1 95466302 ONJORZRJCSNYMN-UHFFFAOYSA-N 425.351 2.727 0 40 IFAB COc1cn(CC(=O)N2CCO[C@H](c3ccccc3)C2)c(CN2CCCCCC2)cc1=O 95478805 OBSJYWLMOXDQOQ-QHCPKHFHSA-N 439.556 2.833 0 40 IFAB COC(=O)c1ccc(CN(C)C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)cc1 96001710 QJCBRPIGKPCFAQ-HSZRJFAPSA-N 426.469 2.517 0 40 IFAB COC(=O)C1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)CC1 222549139 HNBVZKCUCCHWBE-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB COC(=O)c1cccc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1C 222592109 STTUDEMEACQBMY-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB CCOc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 222726780 RTFRVDVXOSDUJS-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB COc1ccc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2c1 223005018 FRQJIOWRUULRFE-UHFFFAOYSA-N 446.550 2.544 0 40 IFAB CN(CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 223504394 SHYNABHYDFUEEP-UHFFFAOYSA-N 431.543 2.595 0 40 IFAB CC(C)c1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 257213057 CFZOZYWNQRTOTP-FGZHOGPDSA-N 445.523 2.658 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H]3CC[C@H](Cc4ccnc(C)n4)[C@H]3C2)c1 257252351 JUNFXOJUYPFBHT-DBXWQHBBSA-N 437.544 2.891 0 40 IFAB O=C(C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2cc[nH]n2)C1)N1CCOCC1 257338836 YZCZPHCVWSSCBG-JOCHJYFZSA-N 446.935 2.613 0 40 IFAB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 306133318 MIJADIWKIAQMDL-QPPBQGQZSA-N 442.535 2.957 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666834 SUGYHCMLYPKLEY-XJSUSFSXSA-N 438.402 2.607 0 40 IFAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1 409168829 UKQHNOBXFDRYCY-UHFFFAOYSA-N 442.368 2.616 0 40 IFAB CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OCC 409174420 SSOLDLTWCZVQDC-MDWZMJQESA-N 441.278 2.702 0 40 IFAB C[C@H](O)CN1CCN(CCOc2c(Br)cccc2Br)[C@H](C)C1 501971757 AFBNMUZGVSOTRG-OLZOCXBDSA-N 436.188 2.977 0 40 IFAB COc1cc([C@H](CC(=O)NCc2nc(C(C)C)no2)c2oc(C)cc(=O)c2O)ccc1O 524729803 JTMNUZUYSYBOSZ-AWEZNQCLSA-N 443.456 2.713 0 40 IFAB biogenic O[C@]1(COc2ccc(F)cc2)COCCN(Cc2ccc(OCCN3CCCC3)cc2)C1 585270489 DBSSGBZYNTZEBT-VWLOTQADSA-N 444.547 2.943 0 40 IFAB O=C(CNC(=O)N1CCc2ccccc2C1)N1CCC(c2nc(-c3ccccn3)no2)CC1 600987472 YQHRTXUUBYCLBT-UHFFFAOYSA-N 446.511 2.606 0 40 IFAB Cc1nc2ccccc2n1CCCC(=O)N1[C@H](C(N)=O)C[C@@H](N(C)C)[C@@H]1c1ccccc1 618016925 WERUXTFJZGHKLJ-GPXNEJASSA-N 433.556 2.883 0 40 IFAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)CCN2CCCC2=O)Cc2ccccc21 643566068 OQLXJRPEBKEJIN-UHFFFAOYSA-N 442.604 2.742 0 40 IFAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)c3nccnc3N)CC2)C(=O)N1 643571273 BSWLXPJGSJWNBX-QGZVFWFLSA-N 437.544 2.591 0 40 IFAB Nc1nc(O)ncc1N1CCN(C(=O)c2sc(-c3ccccc3)nc2C(F)F)CC1 684772520 XJSCDZNDYGITJA-UHFFFAOYSA-N 432.456 2.788 0 40 IFAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1848582665 KVOCOAHRHDHCQA-UHFFFAOYSA-N 427.892 2.524 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1 861857 OSQZKPQOLBSKTH-JAORQVBISA-N 448.500 2.527 0 40 IFAB Cc1c(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(=O)n(-c2ccccc2)n1C 1290466 XPUMGPAQAFGBAI-UHFFFAOYSA-N 449.536 2.773 0 40 IFAB COc1cc([C@H]2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 1634700 HRWLIZTXVYDLSM-OAQYLSRUSA-N 445.497 2.590 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3cccc(OC)c3)CC2)c1 4767779 BWIGMYBXDDFSHZ-UHFFFAOYSA-N 443.525 2.787 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 8451315 METOQEBONMBLPG-YMFQVDJJSA-N 433.533 2.927 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C(F)(F)F)c1 8749454 QAUWBSDIGGOKNS-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB COc1ccccc1N1CCCn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C 8973031 HHRLARMZCXCWFW-UHFFFAOYSA-N 431.496 2.690 0 40 IFAB COC(=O)c1cc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc(C(=O)OC)c1 9068740 LFEXVQKZGIQYCN-UHFFFAOYSA-N 431.466 2.996 0 40 IFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cn4ccsc4n3)cc2)n1 9115695 BXBDKCDQJUODGF-UHFFFAOYSA-N 442.526 2.785 0 40 IFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)N1CCOCC1 9365190 GWRHEXSCYDJEAW-HNNXBMFYSA-N 427.530 2.556 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)cc3)C2)c1 9380985 IZNYVMOETMQFSR-SFHVURJKSA-N 425.507 2.698 0 40 IFAB COc1ccc(Cc2nnc(NC(=O)CS(=O)(=O)c3ccccc3)s2)cc1OC 10060210 VSMDOGZOBLYGGV-UHFFFAOYSA-N 433.511 2.559 0 40 IFAB O=C(Nc1nnc(-c2ccco2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187233 GRKARWRIGLAKIL-SECBINFHSA-N 428.879 2.836 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 10465819 LOWOFESQPCKINU-UHFFFAOYSA-N 443.525 2.965 0 40 IFAB C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 10730912 VRLCABPPZYGRSR-CYBMUJFWSA-N 444.444 2.601 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1 12523488 KYFBSSUOBPOQPD-UHFFFAOYSA-N 446.529 2.696 0 40 IFAB COc1ccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 12628237 AHCKUTMIMZSPSC-UHFFFAOYSA-N 447.538 2.934 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 12804937 VKWAIRXJRQCDMP-DJJJIMSYSA-N 437.452 2.514 0 40 IFAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 12993722 PIGDBQSEVXMLEC-UHFFFAOYSA-N 432.590 2.626 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 13009376 HPUWAPSEWLTOPR-UHFFFAOYSA-N 440.573 2.715 0 40 IFAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14044852 GMNRKIABEOKPAC-UHFFFAOYSA-N 443.500 2.946 0 40 IFAB Cn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3c[nH]c4ccccc34)nnc12 16323271 LBCYSBZLZIRGRJ-UHFFFAOYSA-N 432.509 2.514 0 40 IFAB C[C@H](OC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)Nc1cccnc1Cl 18461154 SGGIYOQJKMAFJW-NSHDSACASA-N 426.816 2.762 0 40 IFAB O=C1CC[C@@H](C(=O)N2CC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)N1 19373301 DHWAVXOWVMKZPE-MJGOQNOKSA-N 428.496 2.877 0 40 IFAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H](C)N2CCCC2=O)C1 19528773 ORXTWQHVOSEYEF-SIBVEZHUSA-N 448.567 2.657 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1 19765097 YQZIESSJBCJIMC-HXUWFJFHSA-N 441.507 2.562 0 40 IFAB CCN(CC)Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20244365 GKFPCAGFZWZNDF-UHFFFAOYSA-N 436.553 2.919 0 40 IFAB O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCN2CCCC[C@H]12 20763588 OHJDMSVVJURXPW-QFBILLFUSA-N 427.998 2.779 0 40 IFAB biogenic O=C(Nc1c(F)cccc1F)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21150502 KUNSPMRMYXTYFV-UHFFFAOYSA-N 433.850 2.944 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)cc1F 28721408 ODSDRXPDMBUBRY-JOCHJYFZSA-N 439.466 2.879 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 30851248 DOEBKVAVSLPCQH-UHFFFAOYSA-N 430.935 2.934 0 40 IFAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 36610972 PCUGRWYXNUQSFH-KBPBESRZSA-N 436.877 2.536 0 40 IFAB Cc1ccc2nc(-n3nc(C)cc3NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2c1 38551625 AFCZSTZHWIZKJD-UHFFFAOYSA-N 433.559 2.709 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC(C)C 43732381 XETHEVMKXOHDGK-FTRWYGJKSA-N 435.615 2.798 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCCO2 47157144 BLCQKDGYEPTSHA-UHFFFAOYSA-N 432.498 2.893 0 40 IFAB O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 48299992 GEEAPVWWJQJFOE-HNNXBMFYSA-N 431.422 2.609 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1OC 49008595 IUEHNNCQVWUMLE-UHFFFAOYSA-N 435.440 2.648 0 40 IFAB C[C@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4ccc(Br)cc4)nc23)C1 49399886 VVRRZBXSRJQZTG-ZDUSSCGKSA-N 445.321 2.529 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(-n2cc(Br)cn2)c1 58230468 FEFGMFOWGJAJNM-UHFFFAOYSA-N 442.317 2.796 0 40 IFAB CCN(CC)[C@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccccc1Cl 60062057 CFJFFGRZBKXKGD-LJQANCHMSA-N 434.953 2.677 0 40 IFAB O=C(CCCNC(=O)C1CC1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 60366420 IKXGYXJGQOJCGK-UHFFFAOYSA-N 435.572 2.691 0 40 IFAB O=C(Nc1ccc2ccccc2n1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 69968668 RSDJKQUAXFPDRV-GOSISDBHSA-N 439.493 2.798 0 40 IFAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccccn4)CC3)n2)C1 72335931 UICWYIVSTMBIGH-MRXNPFEDSA-N 443.573 2.531 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351738 BXBYVONCSVQTCJ-PKTZIBPZSA-N 448.567 2.607 0 40 IFAB O=C(Nc1cc(N2CCOCC2)ncn1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 77100883 FALBUNHGUVAGSB-LJQANCHMSA-N 445.527 2.625 0 40 IFAB COc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc(=O)oc2c1 89467124 SVZCHRLEDVDTGU-UHFFFAOYSA-N 448.928 2.962 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H](COCC(=O)NC2CCN(C(=O)c3ccco3)CC2)C1 95984272 UCHRXMFLVZWDOZ-QGZVFWFLSA-N 449.548 2.664 0 40 IFAB Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(Cl)cc4)[C@@H]3C2=O)c1 100036721 BPMSTXSKQLSXFT-OALUTQOASA-N 425.876 2.566 0 40 IFAB Cc1ccc(NC(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 101472867 FMAFIYBPJAVWCZ-KDURUIRLSA-N 443.569 2.835 0 40 IFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H]2C(=O)O 102329479 YWBPPUGIRVBOCM-QPAOKJHLSA-N 426.513 2.753 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccccc1 107939627 LJDIZVSLOMMOLO-UHFFFAOYSA-N 439.537 2.906 0 40 IFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC(Oc2cc(C)oc(=O)c2)CC1 206974813 NAXHSBXXIYFEIW-UHFFFAOYSA-N 436.464 2.791 0 40 IFAB COc1ccc(CCNc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2C(=O)O)cc1 217633189 NFMVDVWCGAQBHG-QGZVFWFLSA-N 434.514 2.505 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1C 219443247 IAVTYQJSVILTDH-UHFFFAOYSA-N 430.482 2.735 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)c1 220323577 LRXPXBVOYZKPAN-OAHLLOKOSA-N 446.504 2.997 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)s1)c1ccccc1 222570480 IXVAEGKXUDAPQY-UHFFFAOYSA-N 443.510 2.718 0 40 IFAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 224080357 NLCWVVSKPROOHA-UHFFFAOYSA-N 448.541 2.774 0 40 IFAB CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccc(CC(N)=O)cc3)ccc2N1CC(C)C 225867596 ULANQHIXCBQTPD-UHFFFAOYSA-N 428.514 2.550 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(OC)cc6OC)[C@@H]45)[C@H]3C2=O)cc1 248177583 BIFZSCVBWDVLQM-BKHIQPBFSA-N 448.475 2.887 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@]4(Br)[C@@H](C2)N(C)CC[C@]314 253504246 DOUIIQXGCWGWBD-GQFKRECVSA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro COc1ccccc1OCCNC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408571540 OWQRUOHQOCSUOG-UHFFFAOYSA-N 449.507 2.650 0 40 IFAB O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1525734169 ALCLSLIEVPHTIZ-OCCSQVGLSA-N 430.858 2.818 0 40 IFAB Cc1cccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 839523 KOYQXZFCQRYOCP-UHFFFAOYSA-N 435.509 2.511 0 40 IFAB COC(=O)c1ccccc1NC(=S)N(CCO)Cc1cc2cc(OC)ccc2[nH]c1=O 885174 KJFCDVHVOIOGKD-UHFFFAOYSA-N 441.509 2.515 0 40 IFAB O=C1CN(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c2ccccc2N1 1368036 SHCUHNBIDLGPBN-UHFFFAOYSA-N 426.523 2.941 0 40 IFAB Cc1ccc(S(=O)(=O)c2cnc3cc(-c4cnn(C)c4C(F)(F)F)nn3c2N)cc1 1399453 ZHTCVPJBLVOICH-UHFFFAOYSA-N 436.419 2.872 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1 3203398 FILJSODXMNQRHA-UHFFFAOYSA-N 438.527 2.506 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4C[C@H]3C)CC2)c(C)c1 6586596 LVAPSRPSWHGOEV-LJQANCHMSA-N 427.570 2.588 0 40 IFAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1 8752835 ZAJBLWFMAFHBEX-LBPRGKRZSA-N 427.482 2.905 0 40 IFAB COc1ccc(C[C@@H](C)NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1OC 9409625 QULWRUUHEYWLQX-LLVKDONJSA-N 440.905 2.712 0 40 IFAB CCCCn1c(=O)n(CC(=O)NCc2ccc(F)cc2)c(=O)c2c1ncn2C1CCCC1 9439810 WDIVSCFYOOLFCP-UHFFFAOYSA-N 441.507 2.730 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1c(C)noc1C 9468776 GBAGAXKDTOPSCE-UHFFFAOYSA-N 443.547 2.666 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 9501978 RDCZNWRBCYUDMW-UHFFFAOYSA-N 441.553 2.659 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3F)cc2C1=O 9700727 LIPTVGMHUWPNLP-CYBMUJFWSA-N 428.416 2.642 0 40 IFAB C[C@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 9913477 LFFHNCGRGHIJDZ-INIZCTEOSA-N 437.521 2.608 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc2c(c1)OCCCO2 9982928 ZZYMILSURUBBQI-UHFFFAOYSA-N 449.554 2.758 0 40 IFAB CCc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11795891 BYHTXRONQWPJSL-HNNXBMFYSA-N 435.527 2.866 0 40 IFAB COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)c1 12140660 KMCLKQQDANYDQV-UHFFFAOYSA-N 430.511 2.917 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@H]2C)c1 12637676 WLHMDQWVJUHDKN-MOPGFXCFSA-N 435.524 2.856 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(CC)nc3ccccc32)cc1S(=O)(=O)N(C)C 12690209 DJNYWJVYAGKWQA-UHFFFAOYSA-N 430.530 2.886 0 40 IFAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1F 12710716 HVDGODNNLWTNCF-UHFFFAOYSA-N 426.448 2.992 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(-n4cnnn4)c3)n2)s1 12806247 GRAOZQWNPBJZIQ-UHFFFAOYSA-N 425.499 2.736 0 40 IFAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 13082926 BYKWPTPRVMMWCN-UHFFFAOYSA-N 440.525 2.635 0 40 IFAB COc1ccccc1CNc1nc(-c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cs1 14240420 ZKJAVIBIZDSING-UHFFFAOYSA-N 449.536 2.922 0 40 IFAB O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc2[nH]c(=O)[nH]c2c1 14265954 ZXDOONYFPNTLHT-UHFFFAOYSA-N 441.538 2.905 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NCc3ccco3)c12 16993082 IQTSDKXJDIJVAA-AWEZNQCLSA-N 440.481 2.882 0 40 IFAB COc1ccc(CC(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(C)cc2)cc1 17050845 VRXLEYDZVSOSFI-UHFFFAOYSA-N 444.553 2.586 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(-c2nccs2)cc1 17589909 DJCXBFDBVLVOJC-UHFFFAOYSA-N 445.522 2.888 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1C 19571431 XZGQJPQUAXGEKA-IBGZPJMESA-N 446.573 2.792 0 40 IFAB Cc1ncc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)Cc3ccccn3)CC2)n1 19756847 HAQGKMHPGDWWQC-UHFFFAOYSA-N 444.539 2.529 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)C2)ncc1C(=O)N1CCOCC1 19757769 UZUBEMGOPHSNOZ-QFIPXVFZSA-N 448.567 2.695 0 40 IFAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)o1 19761251 MSICIHCVWBFUOX-GOSISDBHSA-N 447.539 2.857 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(C(=O)C3CC3)CC4)ccc21 19819500 KMHUZQPSRSPWRU-UHFFFAOYSA-N 425.510 2.696 0 40 IFAB CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 21682241 BVKUHDSBYIFMQU-UHFFFAOYSA-N 447.410 2.511 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccn(CC)c3=O)n2C)cc1 23136355 AKDBQXQWRUGUAW-UHFFFAOYSA-N 441.513 2.571 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1=O 23656584 YYRUYIFNEZEKBC-UHFFFAOYSA-N 442.438 2.591 0 40 IFAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1 24747441 GIQKITJEORZIIW-QGZVFWFLSA-N 429.542 2.799 0 40 IFAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C1CCN(c2ccc3nnnn3n2)CC1 25620238 VHUFBYNDWAZGGT-HXUWFJFHSA-N 437.504 2.842 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccccc1Cn1cccn1 26647430 NVTDQDUXGORUDG-UHFFFAOYSA-N 425.539 2.550 0 40 IFAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 30209305 MIHBQVJVJKSCQR-UHFFFAOYSA-N 427.570 2.693 0 40 IFAB CN(Cc1nnc2n1CCCCC2)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36398148 ZHTMGKAKMTUGAO-UHFFFAOYSA-N 440.573 2.773 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@H]3C2=O)cc1 38655278 ANIODPIJFNMOBY-IAGOWNOFSA-N 438.831 2.892 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38848900 PKVMYHWUEWNFOU-HXUWFJFHSA-N 432.542 2.836 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)o1 40145603 PGPRKOLUCMOJAQ-UHFFFAOYSA-N 445.472 2.851 0 40 IFAB COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c(OC)c1 44791400 MZKQBKPOLFVXNQ-UHFFFAOYSA-N 446.569 2.951 0 40 IFAB COc1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1OC 64591342 QWBSTRCJAYABBV-UHFFFAOYSA-N 448.435 2.548 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)Cc4ccccn4)C3)nc2C)c1 72351979 YYOAHIPKYSXXKQ-IBGZPJMESA-N 445.523 2.677 0 40 IFAB CN(C)C[C@@H]1CCCN(C(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)C1 72374432 XSXZAHVOVWOMQC-IBGZPJMESA-N 435.572 2.910 0 40 IFAB CC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 84734882 NSNPMGRPIOILCV-SMDDNHRTSA-N 442.335 2.891 0 40 IFAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 100138520 KTWXSZWZJFDYJH-AWEZNQCLSA-N 444.495 2.570 0 40 IFAB COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 219140651 SOPUXXBKYPOYBL-UHFFFAOYSA-N 434.452 2.780 0 40 IFAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1C 225006106 UHZPHUZOWHXHDT-CYBMUJFWSA-N 426.564 2.885 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)s2)cc1 225860176 ZRUKWIMRMZIMAC-UHFFFAOYSA-N 436.490 2.758 0 40 IFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3CC)CC2=O)cc1 408651349 DFUVHAJHQALANV-SFHVURJKSA-N 438.480 2.961 0 40 IFAB Cc1c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 408679471 LUSBZNNGCFRSIB-UHFFFAOYSA-N 442.541 2.669 0 40 IFAB O=C(NC1CCCC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1 585107396 UMSOVBYQROLRGI-XMMPIXPASA-N 439.535 2.887 0 40 IFAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1CN1CCCCC1 618016862 GLSBVAMKMHZUIV-XMMPIXPASA-N 434.584 2.745 0 40 IFAB CCOC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 1013495 CMKCUMNBOZASHU-MGPUTAFESA-N 432.263 2.901 0 40 IFAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 3262473 GQJLJYQNFVFDAM-UHFFFAOYSA-N 427.486 2.940 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc([S@@](C)=O)c(=O)cc1[C@H](NC(C)=O)CC2 5574824 WPRGBKZCSCXZNE-JTBPQFFMSA-N 431.510 2.600 0 40 IFAB CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1 6530071 JVLRPPZGCRITSM-UHFFFAOYSA-N 431.540 2.867 0 40 IFAB Cc1c(C)n2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 8724571 PLGLVFCVDHUYES-INIZCTEOSA-N 435.528 2.991 0 40 IFAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1F 8754890 VSMBONSSJHJRSB-UHFFFAOYSA-N 432.517 2.860 0 40 IFAB CCOC(=O)c1ccc2nc(NC(=O)CSc3nc(O)c(CC)c(=O)[nH]3)sc2c1 9191413 RAMAXAQBCFTNPD-UHFFFAOYSA-N 434.499 2.555 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 9366848 PANKGJOMQHUALQ-UHFFFAOYSA-N 442.516 2.857 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 9416445 AESUAMLBAUIELX-UHFFFAOYSA-N 437.843 2.661 0 40 IFAB Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 9635046 IEZLOGYZXZHEPV-UHFFFAOYSA-N 429.782 2.974 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1cc2ccccc2o1 9725064 XPIZDGFZLPKVQY-CYBMUJFWSA-N 425.466 2.705 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(Cl)c5)CC4)ncnc32)cc1 9850115 ZZZLGRZXWSOOAA-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB COc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 10029201 CLFZJUJBWCLTIS-GFCCVEGCSA-N 436.555 2.783 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@@H](c2ccccc2Cl)n2nnnc2N1 10231871 YIYYZHSQQCNFTO-QGZVFWFLSA-N 425.832 2.660 0 40 IFAB CS(=O)(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 11362555 IJZPTOYDKIMERG-GOSISDBHSA-N 427.482 2.631 0 40 IFAB Cc1cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)ccc1F 11795958 AKAKCFFCFLUTQI-CYBMUJFWSA-N 439.490 2.751 0 40 IFAB COc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914541 OMAXLFXATORUDS-LBPRGKRZSA-N 428.304 2.880 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)CC1 12194744 TWAZYMNXFGFMKI-UHFFFAOYSA-N 443.953 2.621 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)c(OC)c1 12852714 UPXKLTKGDSBJDF-OKILXGFUSA-N 429.498 2.941 0 40 IFAB COc1cccc(-c2nc(CS[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)cs2)c1 12931323 QGIBWIIWVOGAOF-OCCSQVGLSA-N 426.585 2.744 0 40 IFAB CC(C)OCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 13004112 PTVSQGCBWGDVMW-UHFFFAOYSA-N 433.368 2.779 0 40 IFAB CC[C@@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 16388252 BBYKZNXUBXIRBA-ZBFHGGJFSA-N 431.396 2.695 0 40 IFAB O=C(Cn1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1=O)NC1CCCCC1 19750110 AOKBDUSZUJNKGR-UHFFFAOYSA-N 433.512 2.794 0 40 IFAB CCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(C2CCCC2)CC1 20142064 YIDPPNHCSHWKCF-NRFANRHFSA-N 446.621 2.814 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 22368342 SBUYVZOEACJOSO-KRWDZBQOSA-N 446.525 2.908 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 22524279 IFDHBNZEHLAOAN-UHFFFAOYSA-N 440.525 2.595 0 40 IFAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1 24873697 NFLJOWOAJQRPOZ-OAQYLSRUSA-N 432.542 2.987 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2cnn(C)c2)ccc1C 25047882 GSESIVMRCDKNJU-UHFFFAOYSA-N 428.514 2.810 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)c1cc(S(N)(=O)=O)ccc1Br 27064540 DPBDGZJMUQKANW-UHFFFAOYSA-N 425.304 2.698 0 40 IFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@H](COc1ccccc1F)c1ccccc1 32936928 SMYBTPFTDQNIPY-QGZVFWFLSA-N 433.461 2.824 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC=C(c2ccccc2)CC1 33029120 LCODHOOXGYXPNX-UHFFFAOYSA-N 442.537 2.832 0 40 IFAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[nH]c(=O)c21 40400031 DDIICPUAQRBGFT-ZDUSSCGKSA-N 449.467 2.985 0 40 IFAB O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccc(-n2cncn2)cc1C(F)(F)F 58050428 RYDBWPHUCNKHES-UHFFFAOYSA-N 429.366 2.584 0 40 IFAB CCOC(=O)N1CCC(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@@H](C)CC)CC1 67239292 XCZMXNMQJNUMKC-AWEZNQCLSA-N 449.577 2.833 0 40 IFAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)c2Cl)cc1 69026414 GLWDCTLHRRBWON-SFHVURJKSA-N 430.936 2.665 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 71848924 SQVGUPLNPVOQBH-UHFFFAOYSA-N 429.473 2.656 0 40 IFAB O=C(COC(=O)c1csc2cncn12)Nc1ccccc1I 72314192 AUSZVENBRDDUAS-UHFFFAOYSA-N 427.223 2.796 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(Cc1cc(COC)ccc1OC)CC2 72372378 GVMIJVOEOHNNLB-OAQYLSRUSA-N 439.560 2.915 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 89608951 VGYUZKATTLFJEB-UHFFFAOYSA-N 442.537 2.925 0 40 IFAB C[C@H](OCC(F)(F)F)C(=O)N(C)c1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cn1 95440773 NJFVQRIQPKYNGU-ZJUUUORDSA-N 431.333 2.918 0 40 IFAB CC(C)Cc1n[nH]c(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)n1 95476921 SBWXNMOXOZFVOC-JTQLQIEISA-N 446.309 2.634 0 40 IFAB COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4ccoc4)CC3)O2)c1 96036630 UFEGVWCAVHYILC-NRFANRHFSA-N 436.512 2.691 0 40 IFAB O=C(CN1C(=O)c2ccccc2Sc2ncccc21)N1CCN(Cc2cccnc2)CC1 96223350 SDQIMWANQHPGGR-UHFFFAOYSA-N 445.548 2.932 0 40 IFAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccs5)CC4)c3CO2)cc1 97943617 BIBYPFRENBBHDG-SFHVURJKSA-N 437.525 2.518 0 40 IFAB COc1ccc2sc(N3C[C@]45C=C[C@@H](O4)[C@@H](C(=O)NCCC(C)C)[C@H]5C3=O)nc2c1 108234079 NPPRPFRBLXMZIG-XNGFIGEISA-N 427.526 2.754 0 40 IFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1nnc(SC)s1)S(C)(=O)=O 223079098 SXRPVYNEFOHUKF-QMMMGPOBSA-N 436.968 2.715 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2F)cc1OC 224812793 FPKORWMRICPLHM-UHFFFAOYSA-N 448.266 2.885 0 40 IFAB CC1CCN(CCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 225068607 UZTFJAKGZCODMD-UHFFFAOYSA-N 431.549 2.749 0 40 IFAB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1NS(C)(=O)=O 225416255 GNNLRDGHIRGISR-RBUKOAKNSA-N 443.554 2.967 0 40 IFAB O=C(Cc1c(F)cccc1Cl)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 225620731 XSEUQFITKRHAGH-UHFFFAOYSA-N 425.913 2.634 0 40 IFAB CN(C[C@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257269427 MPXGJGCADJJNBQ-XMMPIXPASA-N 440.544 2.845 0 40 IFAB CN1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 257273267 NFXHGBTZVLFVTI-QHCPKHFHSA-N 445.571 2.795 0 40 IFAB CN1CCC(N2CCC(C(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)CC2)CC1 257298117 RKFQEDINMXXHBZ-XMMPIXPASA-N 440.632 2.994 0 40 IFAB O=C1C[C@H]2N(S(=O)(=O)C3CC3)CC[C@]2(c2ccccc2)CCN1Cc1ccccn1 306142691 XGMWNDZGDIXPEJ-GGAORHGYSA-N 425.554 2.709 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)cc1OC 408590489 HLLYIBNGHGKOKU-UHFFFAOYSA-N 434.558 2.919 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408668069 UTHDEBGEEMUFSE-NHUSPQTBSA-N 426.513 2.786 0 40 IFAB Cc1nc2ccccc2c(=O)n1CC1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 1849785654 ZRFNJDWNZULVSS-UHFFFAOYSA-N 448.523 2.827 0 40 IFAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3301944 MMVIMQOPVVPZQE-UHFFFAOYSA-N 442.537 2.997 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)C)cc21 4965823 GQDJWZPLSFJXQB-UHFFFAOYSA-N 425.485 2.976 0 40 IFAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nnc(C)s1 6878495 ZGSVQBGFUNOLTP-UHFFFAOYSA-N 431.547 2.678 0 40 IFAB CN1C(=O)[C@](O)(CC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c2ccccc21 8444452 OTFKXOZYJSBULY-RPPIVITFSA-N 432.476 2.803 0 40 IFAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2Sc2ccccc2)c1 8745172 XMGQOIHFBIMAFN-UHFFFAOYSA-N 443.550 2.889 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc2c1OC(C)(C)C2 8755840 UWJQCPMQMOLTMB-UHFFFAOYSA-N 434.514 2.677 0 40 IFAB CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)c2ccccc2c1=O 8806686 QBASMCPSKBCGIP-ZDUSSCGKSA-N 425.441 2.618 0 40 IFAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c3nc(C)sc23)cc1 8955137 JKMOQQNQEXJHGB-UHFFFAOYSA-N 433.493 2.874 0 40 IFAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9157239 OTGPZAMNWPDHPP-UHFFFAOYSA-N 443.447 2.777 0 40 IFAB COc1ccc([C@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)Nc3ccccc3N2)cc1OC 9303037 UYJXIZLLJNGBQO-MRXNPFEDSA-N 436.468 2.977 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)[C@H](c3ccco3)C2)cc1 9453836 PYYXPPVCAWMTRU-MBSDFSHPSA-N 436.468 2.686 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CCCC2)cc1 9577142 RJMCXISQUJRDFX-QFIPXVFZSA-N 441.553 2.819 0 40 IFAB CCc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)c1 9609714 FXXIUGFOGKZNNI-UHFFFAOYSA-N 448.556 2.934 0 40 IFAB CCCCCCn1c(N2CCN(Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 9714083 UYSBPLHKGKGUNK-UHFFFAOYSA-N 438.576 2.634 0 40 IFAB O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)NC[C@@H]1CCCO1 9831353 AMSPSCXVEAQSTG-IBGZPJMESA-N 445.523 2.515 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc4ccccc4oc3=O)n2)cc1 9844404 BGLJFIQHTHHWIV-UHFFFAOYSA-N 431.448 2.845 0 40 IFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1(c2ccccc2)CCC1 10221374 FDNJAMDAVXKONM-FMIVXFBMSA-N 440.565 2.959 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)cc1 10255282 GLHJIXJJIHIYSH-QGZVFWFLSA-N 442.541 2.600 0 40 IFAB Cc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)ccc1Br 10917192 KPLMRZYEISOIHB-UHFFFAOYSA-N 435.322 2.557 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 10974968 NUOLTNLWCVSHPF-PKNBQFBNSA-N 440.496 2.618 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)CNC(=O)c3ccco3)s2)c(C)c1 12758630 DYAIPVAEESTWSP-UHFFFAOYSA-N 445.526 2.847 0 40 IFAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12770400 JKSCVIWFFKYLLD-WMLDXEAASA-N 426.498 2.843 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)c1cc(C)n(C2CC2)c1C 12812199 YFGKWYMPHSGHKL-LJQANCHMSA-N 432.590 2.927 0 40 IFAB O=C(COC(=O)c1cccc(N2CCCS2(=O)=O)c1)Nc1cccc2ncccc12 12896629 UWGFAVCEELXRTI-UHFFFAOYSA-N 425.466 2.570 0 40 IFAB CSc1ncccc1C(=O)OCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br 13037779 OZJXSYKVHMTDCQ-UHFFFAOYSA-N 437.275 2.531 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 15987202 RRFOGARRRPVIML-GOSISDBHSA-N 443.569 2.848 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 16680352 LTOZCZIKKDAIMX-MCMMXHMISA-N 438.509 2.595 0 40 IFAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCN(C)Cc4cccnc4)C3)c2N)cc1 19213194 HMWUYZPGYCGNQU-HXUWFJFHSA-N 446.555 2.711 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)nc2C)cc1 19766235 WDHQZAIRCRCUFE-INIZCTEOSA-N 432.484 2.774 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC 20013040 FGQPFFIOYBPWPP-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20108350 RUXOCAHKUDAFMA-NRFANRHFSA-N 432.542 2.750 0 40 IFAB CN1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1c1nc(-c2cnccn2)no1 20464027 YHIUVQOQTFDXFK-WFASDCNBSA-N 449.393 2.992 0 40 IFAB biogenic,in-vitro COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)o2)cc1 21625794 KXXXCDDBVJBVGT-VXGBXAGGSA-N 436.515 2.959 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 21873724 UUDSPPYZIKGHOR-QHCPKHFHSA-N 440.931 2.764 0 40 IFAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC 22517742 UHNJAPJQDVYIRG-MRXNPFEDSA-N 448.541 2.524 0 40 IFAB Cc1ccccc1CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 23638674 KVJJJLPLOWTPNY-UHFFFAOYSA-N 447.626 2.802 0 40 IFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 25058382 XPQRCAFBGUCHLP-INIZCTEOSA-N 429.860 2.923 0 40 IFAB CC(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 26392074 DZOGRHLQESGFIQ-UHFFFAOYSA-N 432.384 2.901 0 40 IFAB O=C(CSc1nncn1CCc1cccs1)NCC1(N2CCOCC2)CCCCC1 28842244 UOOJIQJCHURGAF-UHFFFAOYSA-N 449.646 2.826 0 40 IFAB COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 29993395 KGOYATRMTQLMTA-NZQKXSOJSA-N 437.540 2.546 0 40 IFAB COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1F 32803667 NNLRBWWQZRACES-UHFFFAOYSA-N 435.521 2.667 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 32841633 HTDVYJUULUYFHU-CYBMUJFWSA-N 438.933 2.911 0 40 IFAB CCN(C(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1)[C@@H]1CCS(=O)(=O)C1 32904934 QGKYXMNMXYDQPR-LJQANCHMSA-N 427.526 2.871 0 40 IFAB CCOc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 34887531 JSXNZLDBZXYBRV-UHFFFAOYSA-N 442.585 2.885 0 40 IFAB CC[C@H](CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 35334032 PSHSNVYKFLYUOI-RBUKOAKNSA-N 447.576 2.831 0 40 IFAB CC(=O)N1CCN([C@H](C(=O)O)c2cn(Cc3ccccc3)c3ccc(C(=O)O)cc23)CC1 36365489 KUCBOORGXUXZDX-QFIPXVFZSA-N 435.480 2.678 0 40 IFAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccc(F)cc1 40392249 VGYNLTYEQASHPO-UHFFFAOYSA-N 444.426 2.776 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc1 40400027 LOOVQMXVGOMHDN-HNNXBMFYSA-N 449.467 2.985 0 40 IFAB Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)nn2)ccc1F 49406490 HVLGAAZDMUZAEI-UHFFFAOYSA-N 425.439 2.889 0 40 IFAB N#Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)cc1 51357929 PAZGEZGPZMHHQE-UHFFFAOYSA-N 428.423 2.861 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccc(F)cc1F 57312336 HUFFURRRVMBHCR-GFCCVEGCSA-N 427.473 2.513 0 40 IFAB O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)N1CCCCC1 57504740 DDVMECYKMXMYNY-UHFFFAOYSA-N 427.482 2.871 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccccc2I)ccc1OCC(=O)O 58377259 HZELTHYLOACUGV-UHFFFAOYSA-N 447.250 2.864 0 40 IFAB C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326437 WAHZCDKYFHPKKJ-CVINXBIPSA-N 439.560 2.515 0 40 IFAB Cn1nc(C(=O)N2CCC[C@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)ccc1=O 72354891 BIUXNZGNRMTFTF-INIZCTEOSA-N 444.417 2.816 0 40 IFAB COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 78933519 OBZRYFWZUZPJEQ-FXAWDEMLSA-N 446.569 2.856 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)c4ccncc43)cc2)C1 79055360 WOSSBBBOFWDVRX-IAGOWNOFSA-N 428.558 2.845 0 40 IFAB O=C(NCCn1ccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 95480045 RQISDVQXMOAKDR-UHFFFAOYSA-N 429.517 2.998 0 40 IFAB COc1ccc(S(=O)(=O)NCCN[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 95995539 KCPRRVLWHNIZOH-DLBZAZTESA-N 441.594 2.599 0 40 IFAB COc1ccc(OC)c2c1s/c(=N/C(=O)CCS(=O)(=O)c1ccc(C)cc1)n2C 101036937 QKNOKMVNZGJLQV-QZQOTICOSA-N 434.539 2.857 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)=C2)c1 101552353 GJCPIFYGHCLPKC-ZHRRBRCNSA-N 431.558 2.986 0 40 IFAB COc1ccc(Br)cc1CCC(=O)N1CC[C@@H](N2C(=O)CSC2=O)C1 217783139 ZEOSXADGBPIJCI-CYBMUJFWSA-N 427.320 2.687 0 40 IFAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 222573633 FZDUMJYPANJTSR-MRXNPFEDSA-N 448.541 2.776 0 40 IFAB COc1cc(OC)cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 224358477 CINNQNHXTQAJPQ-UHFFFAOYSA-N 448.541 2.687 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 224766004 LEMBJMUHVLUBGQ-UHFFFAOYSA-N 445.585 2.682 0 40 IFAB CC(C)N1CCN(C(=O)C[C@H]2CCCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C2)CC1 257206331 BCXCWSMBFBYRFO-GOSISDBHSA-N 443.567 2.816 0 40 IFAB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)COc2ccccn2)C1)C1CCCCC1 257256247 KKRDHIKULNPXOM-KRWDZBQOSA-N 425.533 2.994 0 40 IFAB CN1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257303112 SFVCSFYAKSVEOD-FCHUYYIVSA-N 448.567 2.607 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(=O)OC)C2)cc1 408557354 MGAGWBNJYPNATM-MRXNPFEDSA-N 446.525 2.911 0 40 IFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 408692996 AOOALVPZKKLPJM-UHFFFAOYSA-N 445.541 2.872 0 40 IFAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(S(=O)(=O)N(C)C)CC1 575614932 CJAOFYVQPILSRJ-UHFFFAOYSA-N 440.953 2.552 0 40 IFAB CC(C)(C)c1cn2nc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)ccc2n1 1888926430 BHEPXUUBMOVSFN-UHFFFAOYSA-N 445.453 2.810 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)c1 2056223705 BIBAATHRQVGPPR-NRFANRHFSA-N 432.546 2.565 0 40 IFAB Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 1224199 NQVMCRCUZPSOOL-UHFFFAOYSA-N 440.569 2.638 0 40 IFAB CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccc(OC)cc1 2723999 ZZIDFNIRZFKDEA-UHFFFAOYSA-N 440.525 2.790 0 40 IFAB O=C(OCC(=O)N1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3229283 CUPULODIBGNHJD-UHFFFAOYSA-N 428.938 2.684 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(COc3ccccc3)n2C)n1 6547338 BMLHGOZXSADWBB-UHFFFAOYSA-N 447.542 2.687 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8345452 FGPXMRDIQXNIPQ-OAQYLSRUSA-N 429.586 2.841 0 40 IFAB COc1cc(Br)c(CC(=O)OCC(=O)NCCc2ccccc2)cc1OC 9154518 PCNRAGQYBVVOFT-UHFFFAOYSA-N 436.302 2.911 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 9255123 NNLRLINQLICBHS-UHFFFAOYSA-N 434.543 2.861 0 40 IFAB O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1)N1CCCC1 9256293 WYHDKIGXOZTMDB-UHFFFAOYSA-N 438.546 2.964 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C 9264094 XTCOAYRPUVTLNH-LBPRGKRZSA-N 446.558 2.638 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 9283725 NCLHSJCAHFIQSX-UONOGXRCSA-N 439.493 2.718 0 40 IFAB Cc1c(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 9317122 GBZLQBMURPGDPN-GOSISDBHSA-N 448.504 2.591 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC2CCCC2)cc1 9577139 RJMCXISQUJRDFX-JOCHJYFZSA-N 441.553 2.819 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NCCC1=CCCCC1 9646016 VAIYQQPEAPLRQK-MRXNPFEDSA-N 439.603 2.590 0 40 IFAB CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nc2cc(S(N)(=O)=O)ccc21 9670052 MWPJFYBNWMIHGM-SNVBAGLBSA-N 439.950 2.871 0 40 IFAB CCCCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1Cl 9671347 SSSIIAIAMXDOSY-UHFFFAOYSA-N 430.983 2.853 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 10295884 RUGQCSKEKQTGCS-UHFFFAOYSA-N 441.303 2.640 0 40 IFAB Cc1ccc(-c2nnc3n(CCCc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10969734 FFBOYPYAPINUKD-UHFFFAOYSA-N 428.496 2.690 0 40 IFAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11904996 ZTHPQTBHLUJARV-LBPRGKRZSA-N 428.919 2.762 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCc3cccc(F)c3)CC1)NC2=O 12086533 HOMWIRYWIBSCBL-GYCJOSAFSA-N 438.503 2.703 0 40 IFAB COc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)s1 12391222 BQNYJHRFXMIYLX-UHFFFAOYSA-N 435.502 2.844 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c(C)c1 12746183 DWCCPNLBVICQOI-JOCHJYFZSA-N 445.560 2.769 0 40 IFAB CCCCN(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@@H]1CCS(=O)(=O)C1 13055774 ZKJBEYQNJZIXBI-OAHLLOKOSA-N 437.514 2.552 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)NCC(F)(F)F 13057072 IFJJMPJPPYGXTA-NSHDSACASA-N 448.394 2.850 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 13669029 NMGJVSFEPLZCEN-UHFFFAOYSA-N 430.526 2.602 0 40 IFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1Cl 15659057 PDUPNVWJCWEEAJ-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1)[C@@H]1CCCO1 18156148 SSNLAAFOOCTZLD-BGYRXZFFSA-N 444.509 2.754 0 40 IFAB CN1C[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)CC1=O 19083928 YXOCXMPPIPWYKY-XUWVNRHRSA-N 437.535 2.888 0 40 IFAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)s1 19560122 ADSZEBGAQMNASZ-QGZVFWFLSA-N 441.557 2.505 0 40 IFAB Cc1nc(N)c2ccc([C@@H]3CN(C(=O)CN4CCC(c5ccccc5)CC4)CCO3)nc2n1 19704790 OVDOKQOKOBXLCJ-QFIPXVFZSA-N 446.555 2.695 0 40 IFAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)Cc1cccc(OC)c1)CC2 19710851 QZZRBDXJHGLKDG-OAQYLSRUSA-N 437.544 2.728 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)ncc1C(=O)N1CCCC1 19762939 BVCBCXOEMJHEKJ-QGZVFWFLSA-N 440.548 2.866 0 40 IFAB COc1ccc([C@H]2N=C3NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 19960398 MLCZYSQSTFIVEQ-JTSKRJEESA-N 448.527 2.776 0 40 IFAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)n2c1nc1ccccc12 20103444 KZWPWEAOTUJPNU-GOSISDBHSA-N 436.468 2.761 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 22271272 UAFVTLSDKUZPSL-NRFANRHFSA-N 428.510 2.884 0 40 IFAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 24085743 KSRFRZRDADKCRH-KOSHJBKYSA-N 440.496 2.672 0 40 IFAB COc1ccc(N2C(=O)NC(=O)/C(=C(\NCCc3cnc[nH]3)c3ccc(C)cc3)C2=O)cc1 25180481 DVQIPPMJTWBJAN-QZQOTICOSA-N 445.479 2.553 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSCc3ccco3)C2)cc1 26111177 GJSPERZDKSHJEU-INIZCTEOSA-N 438.571 2.739 0 40 IFAB CCn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2ccsc2c1=O 27835208 ACVCSMRQHFJYLL-UHFFFAOYSA-N 444.582 2.927 0 40 IFAB CCSc1nnc(NC(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)s1 29831041 SQBRSUNQUBYWBX-UHFFFAOYSA-N 431.425 2.906 0 40 IFAB COc1ccc([C@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c(OC)c1 32774351 FBJHJQIPOFUITH-HXUWFJFHSA-N 429.492 2.888 0 40 IFAB C[C@@H]1CCCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 32931217 CMMSCIVWPAJACM-MRXNPFEDSA-N 427.998 2.976 0 40 IFAB CC(=O)c1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)c1 40478057 BRORQOQVSSWBFF-UHFFFAOYSA-N 436.859 2.531 0 40 IFAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)Nc1ccc(F)cc1Cl 49421704 ANJOTZCOHINLTC-UHFFFAOYSA-N 439.827 2.646 0 40 IFAB CCc1ccc([C@H]2NC(=O)NC(CN3CCC(N4CCCCC4)CC3)=C2C(=O)OC)cc1 57415166 KVYOISZHHSVUMS-HSZRJFAPSA-N 440.588 2.980 0 40 IFAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc2c(c1)OCO2 57487107 CYPUMQWGRHMLBT-UHFFFAOYSA-N 446.419 2.979 0 40 IFAB COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1O 57531366 WCMOOBPRZMZNNB-VKJFTORMSA-N 426.416 2.670 0 40 IFAB CCOC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CO)cc(=O)c1O 71286561 BAVBYJCEHPMIPK-MRXNPFEDSA-N 442.420 2.969 0 40 IFAB CCCCOC(=O)[C@@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 72303208 KBMZDHOOKYIXGM-GFCCVEGCSA-N 439.306 2.673 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@H](c3ncccc3C(=O)N3CCOCC3)C2)cc1 72370946 LVXVOJLKDFOGMB-FQEVSTJZSA-N 437.540 2.901 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 77100429 IPCQXYVCXCBDDI-UHFFFAOYSA-N 448.405 2.532 0 40 IFAB CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccnc4)cn23)CC1 96156022 OZOPPKBPUZWTCX-UHFFFAOYSA-N 434.544 2.547 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccc(C)cc1 96521122 LEXFKUVSACOELM-WDEREUQCSA-N 433.105 2.947 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(F)ccc4F)[C@@H]3C2=O)cc1Cl 101168984 GYPDRMMKRFBZJU-IRXDYDNUSA-N 449.801 2.559 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)N4CCCN4[C@H]3C2=O)cc1 102687663 OCXOEGZKKXKHMB-GUDVDZBRSA-N 442.313 2.993 0 40 IFAB CCOC(=O)c1ccc(N2CCCN([C@H](C)C(=O)Nc3ccccc3OC)CC2)nc1 106176407 BXOCSAUOAWNCIY-QGZVFWFLSA-N 426.517 2.806 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)NCCOc1cccc3ccccc13)CN2S(C)(=O)=O 223553165 ZNKYBAKNFUFHKZ-JOCHJYFZSA-N 440.521 2.870 0 40 IFAB COc1cc2c(cc1S(=O)(=O)NCc1ccc(CN3CCOCC3)cc1)CCCC2 224588434 LYJRCOOXKJGYJD-UHFFFAOYSA-N 430.570 2.885 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 224723779 LEXYMADXXIKAGP-HNNXBMFYSA-N 436.530 2.664 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225469647 JBRYIWPBDKJRBZ-UHFFFAOYSA-N 438.553 2.898 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4ccc(C)cc4)no3)ccc21 225699552 KBWPTJVBLUQURX-UHFFFAOYSA-N 430.511 2.920 0 40 IFAB CCS(=O)(=O)Nc1cccc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)c1 225968999 WNEQIMYJZDKJIZ-UHFFFAOYSA-N 431.543 2.755 0 40 IFAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)CCO2)n1 257241671 HZAFPCPRWPBZAS-QFIPXVFZSA-N 436.487 2.585 0 40 IFAB Cc1c(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n(C)n3)C2)cnn1C 257279110 OFARWOQTINZQEG-NRFANRHFSA-N 443.935 2.951 0 40 IFAB CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)[C@](F)(Cc3ccccc3)NC(C)=O)C2)n1 257320933 VZIYFNMOUQCAFQ-GOTSBHOMSA-N 427.524 2.751 0 40 IFAB Cc1nonc1CNC(=O)C[C@H]1CCCN(C(=O)c2c(C)nc3ccc(Cl)cn23)C1 257344270 ZWJGDKXNAQLWRM-CQSZACIVSA-N 430.896 2.546 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 408597520 XFRPZPZXVODTNY-GJZGRUSLSA-N 440.949 2.909 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408663831 OOLLLKOGUKXKMA-UHFFFAOYSA-N 426.425 2.576 0 40 IFAB CCCCn1c(=O)nc(O)c2c1nc(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)n2C 539335172 XMNMPSRCMURJFF-WMZOPIPTSA-N 425.533 2.893 0 40 IFAB O=S1(=O)CCCN1c1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 588676957 FJCTWMZQXKAAIE-LJQANCHMSA-N 438.546 2.761 0 40 IFAB O=C(Cc1ccc(Br)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775995240 JTAFDURBQHVPLB-UHFFFAOYSA-N 430.346 2.976 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 3279225 GCMBYIHHAIRNCK-UHFFFAOYSA-N 430.482 2.661 0 40 IFAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCCc2ccccc21 3456235 IPBRTFURLUBHIV-GOSISDBHSA-N 430.526 2.746 0 40 IFAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 3474587 DWXRVZBTWQGWAR-UHFFFAOYSA-N 427.482 2.549 0 40 IFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CC1 3493474 UOCHJWRAJJMXKU-UHFFFAOYSA-N 428.905 2.939 0 40 IFAB COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6239035 SOTHHCHPIYTCMY-UHFFFAOYSA-N 443.500 2.919 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cc1 8848419 KEAOSBYUYYAFED-XMMPIXPASA-N 448.479 2.605 0 40 IFAB CSc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)s1 8917172 HWTCVZYAXNBPHR-UHFFFAOYSA-N 441.947 2.930 0 40 IFAB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 8920046 SSQZNABFZGCEBZ-YJYMSZOUSA-N 449.481 2.728 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1 9190083 FDPULYQGHYSUII-UHFFFAOYSA-N 434.905 2.635 0 40 IFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1 9207632 BALOCIRNOUWDAJ-INIZCTEOSA-N 431.533 2.865 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Br)s1 9670598 METGFWVVVCWEDW-VIFPVBQESA-N 439.378 2.540 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1Cl 9674548 BTZKWAAEEVMIAT-SJORKVTESA-N 448.266 2.934 0 40 IFAB COc1ccc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)c(OC)c1 9860290 VKCGUNGZMOQCOU-FUHWJXTLSA-N 447.538 2.636 0 40 IFAB COc1cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc(OC)c1OC 9973569 QYGOQAUCAJOORP-UHFFFAOYSA-N 446.525 2.700 0 40 IFAB O=C(NC1CCC(O)CC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9988856 LAROFFVTIHMOGL-UHFFFAOYSA-N 446.525 2.682 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nc(=O)n3cc(C)ccc3n2)sc2c1CCC2 11025925 QQIVZXLTVPGOHG-UHFFFAOYSA-N 444.538 2.856 0 40 IFAB Cn1ccnc1[C@H](NC(=O)COC(=O)c1cc(Br)ccc1O)c1ccccc1 11147813 UPZFJBTXPNQBMJ-GOSISDBHSA-N 444.285 2.951 0 40 IFAB COc1ccc(NC(=O)CSCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 11340660 RYUKDRFHMJZUCW-UHFFFAOYSA-N 436.555 2.588 0 40 IFAB Cn1c(=O)n(CCC(=O)Nc2cc3c(cc2Br)OCCO3)c2ccccc21 11413132 JJBQJJIDBARCQY-UHFFFAOYSA-N 432.274 2.903 0 40 IFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1Cl 12030581 UOWUUHORRWXFBT-HNNXBMFYSA-N 443.930 2.562 0 40 IFAB CN(C)C(=O)[C@H]1CN(CCCOc2ccc(F)cc2)C[C@@]12CCc1ccccc1C(=O)N2 12125772 ISGBWEKMRYEEBG-RDGATRHJSA-N 439.531 2.730 0 40 IFAB COc1cc(NC(=O)c2cc(Br)ccc2-n2cnnn2)cc(OC)c1OC 12323079 BMIVGQAXFYNFTG-UHFFFAOYSA-N 434.250 2.703 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1NS(C)(=O)=O 12526384 VFAKSKIEKZXDIN-ZDUSSCGKSA-N 437.543 2.619 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 12777722 COXDXKGEKCZEQV-UHFFFAOYSA-N 443.525 2.865 0 40 IFAB CC1=CN2C(=NC(=O)C[C@@]2(C)C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)C=C1 13083006 RDLLMKCOVQMCLA-VWLOTQADSA-N 434.540 2.937 0 40 IFAB O=C(NCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 13164160 LNRGXTAEGIEREM-MRXNPFEDSA-N 426.897 2.866 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccc(OC)cc3)n2)CC1 13568886 QDYDIRGLOVUXLJ-UHFFFAOYSA-N 435.484 2.857 0 40 IFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCN(c2ccccc2)CC1 13723398 MGVMVIOSCYGUEG-UHFFFAOYSA-N 432.524 2.851 0 40 IFAB CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1 15019815 UGXSHMBLPUXIHF-UHFFFAOYSA-N 445.570 2.995 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 15359984 JZRDKLZVIJMHAA-MRXNPFEDSA-N 439.486 2.914 0 40 IFAB C[C@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccccc1Cl 18591501 AKNNAMUMTGBKGN-AWEZNQCLSA-N 428.872 2.851 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19501655 VBVUFIGYEMIBAA-HXUWFJFHSA-N 440.519 2.890 0 40 IFAB Cc1cc(C)n(CC(=O)NCCn2ncc(-c3ccncc3)c2-c2ccc(F)cc2)c(=O)n1 19572404 KCLRJXDJGUEYBT-UHFFFAOYSA-N 446.486 2.741 0 40 IFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc(N(C)C)c2C1 19710353 YPHFVMNGIZQVFN-NRFANRHFSA-N 439.535 2.883 0 40 IFAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4S(=O)(=O)N(C)C)nc32)cc1 19740423 JXMDEYNFUSAXBZ-IBGZPJMESA-N 443.573 2.516 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)ccc1OC 20024753 JHOQXCWGGUGQMV-NSHDSACASA-N 427.320 2.857 0 40 IFAB COc1ccc(OC)c(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c1 20228873 GCHNETWQRQHFQT-UHFFFAOYSA-N 440.452 2.963 0 40 IFAB CC1(C)C[C@H](NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc2O1 22372549 KJSSNBJANCNVBL-KRWDZBQOSA-N 446.525 2.642 0 40 IFAB C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 23139386 PEBNNLVMPKLGFD-AWEZNQCLSA-N 426.498 2.945 0 40 IFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1C(F)(F)F 24453580 GGUWJSFQUROGDW-UHFFFAOYSA-N 443.447 2.844 0 40 IFAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 24601368 KDZBDZGIFAPBOQ-UHFFFAOYSA-N 439.990 2.800 0 40 IFAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(c4ccccc4OC)CC3)nn1C)C2 32070827 LEZCHICQGMQDIO-UHFFFAOYSA-N 448.523 2.980 0 40 IFAB CC(C)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 36384646 WBQPUHTWVCIUSA-LBPRGKRZSA-N 441.903 2.578 0 40 IFAB C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 39996265 YZIHPHTVRPWWAP-OLZOCXBDSA-N 444.431 2.943 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)nn2)cc1C 49406300 GFAJQVJXWOKOAO-UHFFFAOYSA-N 435.503 2.987 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCC[C@@H](C)C3)c2=O)c1 57426863 MPNLVMXOVHCNJS-OAHLLOKOSA-N 427.526 2.540 0 40 IFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N1CCCc2cccc(F)c21 57628700 WZCCIVNIHBQBEM-UHFFFAOYSA-N 434.537 2.899 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccccc1Cl 61939562 MRJGOWDQMBUHCW-UHFFFAOYSA-N 435.933 2.770 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCCC(=O)Nc2ccc(C)cn2)c1 69705229 DULANGQZDPYRHN-UHFFFAOYSA-N 425.489 2.927 0 40 IFAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NC1CCN(c2ccccn2)CC1 70010601 ZUJKLNLQHCXIQA-VWLOTQADSA-N 447.539 2.556 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc1OC 77192025 GIKCSIFVXGAPLF-JKNJVXJCSA-N 443.525 2.876 0 40 IFAB Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](CC(C)C)N2CCC(C(=N)O)CC2)cc1 82055967 COKDJFDAWJGRRJ-SFHVURJKSA-N 434.566 2.747 0 40 IFAB COc1cccc([C@@H]2[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccccc3)CC(=O)N2C2CC2)c1 95463667 OOKYKCHLJIJJKX-JFJYTDJESA-N 435.524 2.568 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(-c4cccnc4)cs3)C2=O)cc1 95472331 ISKVUWMXNWCBHH-INIZCTEOSA-N 437.481 2.663 0 40 IFAB O=C1O[C@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CN1c1ccccc1 95961304 ZJMVDZYMWVDHEI-QGZVFWFLSA-N 425.514 2.941 0 40 IFAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)[C@@H]1CN(C(C)=O)C2 96143766 QBPPLIWXEGQRGN-PGRDOPGGSA-N 432.952 2.959 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 100262098 MEQUQAJVQWRJRK-QTDDQOEGSA-N 447.443 2.619 0 40 IFAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(CC)ccc21 101041753 HUJLVAFZRQYHSN-DQRAZIAOSA-N 446.550 2.973 0 40 IFAB CN(C)[C@@H](CNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O)c1ccco1 101703293 BTCXJPUSTDQFIT-KRWDZBQOSA-N 428.920 2.570 0 40 IFAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 205676580 FMVCJPYWBKOSIP-WUXMJOGZSA-N 444.259 2.512 0 40 IFAB CSc1cccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 220076833 DDOFYNGUFOPASM-UHFFFAOYSA-N 448.614 2.565 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)Oc2ccccc21 224835684 GDJXGXQBPKIJQB-QFIPXVFZSA-N 443.569 2.516 0 40 IFAB Cc1ccc(CN(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1 225879691 ZJTHRQYZMOJQQZ-UHFFFAOYSA-N 430.570 2.621 0 40 IFAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)[C@H](C)N 247997798 NDFFDCQDPHAPKQ-HVLXEHQLSA-N 448.611 2.780 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3ccc(OC)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306124955 CDFQHECLKIXGQL-QPPBQGQZSA-N 426.561 2.937 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(F)cc1F 408613067 ZTAZHBVESCMVTE-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)ccc1O 409058018 RMHXFMFAOJZWEN-BOPFTXTBSA-N 442.493 2.947 0 40 IFAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 409213206 TTWORCMSOYBIOL-CPSFFCFKSA-N 441.303 2.986 0 40 IFAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccccc2OCC(=O)OC)C1=O 409213862 VWYCMNRBXJVHDM-ATVHPVEESA-N 434.514 2.923 0 40 IFAB O=C1C[C@H](c2ccccc2OCC(=O)Nc2ccc(Br)cc2)N2NC=NC2=N1 409376223 WBKOLBHWCBPOBZ-OAHLLOKOSA-N 442.273 2.643 0 40 IFAB COc1cc(C(=O)N2CCN(C(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)CC2)ccc1C 519288910 LOKHTLGHGYHKKS-GOSISDBHSA-N 447.601 2.626 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccccc2)no1 604419015 KAYLYBNYRZLKCL-REIDKSKDSA-N 432.480 2.895 0 40 IFAB COC(=O)c1cc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(Br)cc1F 610327135 DMQZOXMWEAEDAF-RFXMVYNHSA-N 428.258 2.506 0 40 IFAB COCC(=O)N1CCCCCCCCN(C(=O)CN2CCCC2=O)Cc2ccccc21 643554130 LRTDQKVOGPBUSL-UHFFFAOYSA-N 429.561 2.971 0 40 IFAB Cc1cc(S(=O)(=O)Nc2nc(N)n(-c3cnc4ccccc4n3)n2)c(S)cc1Cl 1645177 JDXCACKYBVTQAC-UHFFFAOYSA-N 447.933 2.844 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373293 UKKFDESSQOMTTB-UHFFFAOYSA-N 434.404 2.880 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 5773438 PDVSJFLFONBEFJ-ZBFHGGJFSA-N 427.588 2.701 0 40 IFAB CC(C)(C)OC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F 5834285 HEKUJOZWBBJHNW-UHFFFAOYSA-N 437.381 2.751 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)Nc1ccccc1F 8708383 LXMIJOLGIODQOJ-HXUWFJFHSA-N 440.475 2.754 0 40 IFAB Cc1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1 8774918 RNBSYOSVBOWLQC-UHFFFAOYSA-N 442.523 2.926 0 40 IFAB O=C(NCCCn1cnc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8777563 JZGKIMPXNBZKPI-FQEVSTJZSA-N 430.505 2.535 0 40 IFAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc2s1 8992680 CESLDZUIQZDQLK-UHFFFAOYSA-N 428.499 2.560 0 40 IFAB Cc1ccccc1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9134593 LKCWUNBVNJNANA-UHFFFAOYSA-N 429.542 2.541 0 40 IFAB Cc1nc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2c3c(sc2n1)CCCC3 9492182 JJYJREPXSCPVEI-LBPRGKRZSA-N 425.601 2.616 0 40 IFAB CSc1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 9986101 STALELQMDHXDLY-UHFFFAOYSA-N 448.566 2.991 0 40 IFAB CCCCc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2CCCOC)cc1 11845158 RQVDUFIWHQDZHY-UHFFFAOYSA-N 426.517 2.670 0 40 IFAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)C1=O 11858221 VZQIKVUUEPDECF-LLVKDONJSA-N 448.444 2.819 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)CCS[C@H]2CCc3ccccc3N=C2O)cc1 11865950 LUYXVNOPFHXOBR-SFHVURJKSA-N 433.555 2.677 0 40 IFAB Cc1nnc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)s1 12233443 NIKVZNSNCCKFJO-LBPRGKRZSA-N 443.489 2.557 0 40 IFAB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1Cl 12536959 KDFFFCXJQGUGSI-HXUWFJFHSA-N 429.904 2.713 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 12542208 ZBLHXHBSBPRUOC-IBGZPJMESA-N 442.585 2.620 0 40 IFAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O 12592930 TXZCRROSTFUWHI-IBGZPJMESA-N 448.266 2.569 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CN1C(=O)CCOc2ccccc21 12762746 NAELMALTWSKFIW-UHFFFAOYSA-N 440.887 2.741 0 40 IFAB CSCC[C@H](C(=O)O[C@@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O 12813837 CLDXTHJTSQRUTP-KBXCAEBGSA-N 432.542 2.785 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)Cc2n[nH]c(=O)c3ccccc23)c1C 13014906 CIPAYQPQTHPUGT-SFHVURJKSA-N 448.523 2.729 0 40 IFAB CCCN(S(=O)(=O)c1ccc(OCC)cc1)S(=O)(=O)c1cc(OC)ccc1OC 13130857 SFDNUICKQOYHQT-UHFFFAOYSA-N 443.543 2.892 0 40 IFAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 14093530 LUWCHGOZSNIPJR-RDJZCZTQSA-N 432.484 2.850 0 40 IFAB CC(C)C[C@H](C(=O)O[C@@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 14242907 JKDGEPBEDYKLLP-IJXRJRJASA-N 426.513 2.600 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)ccc21 14249964 QFOPDXTYZVMDJT-FQEVSTJZSA-N 431.558 2.949 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2ON=C(c3ccc(OC)cc3OC)[C@H]42)cc1 14945182 BIFZSCVBWDVLQM-SCBXIUMGSA-N 448.475 2.887 0 40 IFAB Cn1c(=O)n(C)c2cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)ccc21 15008602 NKCLLQXWOWZHLX-YVLHZVERSA-N 440.456 2.691 0 40 IFAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12 16322431 PPCYRDRGKLBEJE-NSHDSACASA-N 439.463 2.863 0 40 IFAB COc1cccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 16960587 ABQYIGWGBLNZRR-OAHLLOKOSA-N 448.526 2.989 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)cc1 19121249 SCTOKOXYAFVXIH-UHFFFAOYSA-N 430.486 2.723 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)cc1OC 19560407 RXMXOSGSLZGFGQ-MRXNPFEDSA-N 443.525 2.507 0 40 IFAB COC(=O)c1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 19592537 MMGZPIBMIRBCQL-UHFFFAOYSA-N 439.537 2.786 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)CCc1ccccc1)C2 19701359 QJWUWOVICGCTKE-QFIPXVFZSA-N 434.515 2.977 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)ncc1C(=O)N1CCCC1 19762943 LCCPGDBNLXCFRK-GOSISDBHSA-N 449.555 2.608 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 22328829 FVAXRTTVUNAIAL-UHFFFAOYSA-N 434.558 2.836 0 40 IFAB COc1ccc(C(=O)NCC(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1OC 22982563 WDHPOMSAMPBTPI-UHFFFAOYSA-N 425.384 2.787 0 40 IFAB CCOc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)c2C)nn1 26428125 LESKDEJNCPKKTQ-INIZCTEOSA-N 435.484 2.894 0 40 IFAB O=S(=O)(c1ccc(Br)s1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 26923096 PBVLXPZNLTYDAR-CQSZACIVSA-N 449.367 2.690 0 40 IFAB CCN(CC)C(=O)COc1ccc(N2C(=O)[C@H](CCSC)NC2=S)cc1Cl 27223484 DOJBDFIDTOPGDC-AWEZNQCLSA-N 429.995 2.930 0 40 IFAB CN(CC(=O)Nc1ccc(-n2cnc3ccccc32)nc1)S(=O)(=O)c1ccc(F)cc1 32796665 AQRCDTGEAFVWAP-UHFFFAOYSA-N 439.472 2.819 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NCc1cccs1 35344015 BTGIMBPPTFYMMO-UHFFFAOYSA-N 448.397 2.678 0 40 IFAB CC(C)COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 35594977 BZPBUKIRNHJESD-OAQYLSRUSA-N 432.542 2.600 0 40 IFAB O=C(c1ccc(=O)[nH]c1)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 35598291 GMCQLORAKNUAHT-UHFFFAOYSA-N 427.508 2.731 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccccc1Cl 38282748 TWVABSBKMWCOOH-MRXNPFEDSA-N 441.875 2.932 0 40 IFAB O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)o1 40110384 RRMRYNVWNWUZQB-UHFFFAOYSA-N 433.317 2.608 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 57292067 LAZMRCNEJZBANI-GOSISDBHSA-N 427.570 2.817 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1ccccc1 57414405 FWPSTFFICYRFMH-QHCPKHFHSA-N 434.540 2.988 0 40 IFAB CCCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 59248380 RNGIOPLOAXMDJG-QFIPXVFZSA-N 428.510 2.693 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)C3CCCCC3)CC2)n1 72341531 UCULIZHBCNWRDZ-LJQANCHMSA-N 443.592 2.767 0 40 IFAB Cc1ncc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1Cl 89505454 AROGLSJMLGAUJA-UHFFFAOYSA-N 428.341 2.985 0 40 IFAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)cc1F 89960394 NTSKNKJYISTRCN-UHFFFAOYSA-N 441.458 2.852 0 40 IFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](CO)c2cccc(Br)c2)c1 95983355 RISCOOJURKLOBM-QGZVFWFLSA-N 441.347 2.519 0 40 IFAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2N2CCCN12 100165977 PMSDETNOPBQOLI-QRVBRYPASA-N 442.313 2.993 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@@H]3C2=O)cc1OC 101272284 ZKPRPZXTLSJEIQ-OALUTQOASA-N 448.439 2.556 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224109382 FWVCXGGHKMZJAI-LJQANCHMSA-N 449.548 2.535 0 40 IFAB CCOc1ccccc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224599214 NSADDYUOOBFFJE-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)Cc1ccccc1 224852284 BKDOPBNAJCCBHY-UHFFFAOYSA-N 429.586 2.751 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 225202762 KCKZMMKZPFTNEL-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB O=S(=O)(NCC1CCN(c2ncc(F)cn2)CC1)c1ccccc1Br 245020792 MHCVYKJWOBFPFF-UHFFFAOYSA-N 429.315 2.573 0 40 IFAB O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252346941 KQJNAGFUOFNHFR-KSZLKVKMSA-N 427.504 2.809 0 40 IFAB biogenic CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCC(=O)N1CCOCC1 408572119 FGSSVWKFBJIVRK-UHFFFAOYSA-N 428.554 2.831 0 40 IFAB O=C(c1n[nH]c2ccccc12)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643554875 OONWODYWLPFFIU-RUZDIDTESA-N 448.523 2.696 0 40 IFAB CN1C(=O)NC2(CCN(C(=O)c3ccc(-n4nccc4-c4ccc(F)cc4)cc3)CC2)C1=O 677899670 APSHNTUZVXEBFS-UHFFFAOYSA-N 447.470 2.835 0 40 IFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2094401 FNFQCEGHMNKYIA-NRFANRHFSA-N 446.459 2.954 0 40 IFAB biogenic C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3246670 ONCKYQIADQTIHV-KBXCAEBGSA-N 441.505 2.916 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c1 8880324 APUHWSNGWKEISR-INIZCTEOSA-N 437.345 2.783 0 40 IFAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917274 PQIFEDJTIOHOTE-FOIQADDNSA-N 439.489 2.924 0 40 IFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 9056658 ZRSOSHJILVYIKG-CRICUBBOSA-N 445.475 2.563 0 40 IFAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2nncs2)n1C 9289775 AQNDUYJZPJRYJG-VIFPVBQESA-N 437.938 2.542 0 40 IFAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CC3)ccc2N2CCOCC2)cc1 9493811 SRJQXJIPLYYNEK-UHFFFAOYSA-N 431.514 2.681 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 9494807 KJUDENZGMFSQAT-UHFFFAOYSA-N 430.530 2.532 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 9516156 VLCVSBBZNWKCNK-DEOSSOPVSA-N 445.479 2.657 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 9583469 BVVPUOZJDBCDLD-UHFFFAOYSA-N 434.558 2.871 0 40 IFAB C[C@H](Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C1CCCCC1 11457592 USLJNZLFFCEXRE-ZDUSSCGKSA-N 447.605 2.596 0 40 IFAB CCCc1nc(SCC(=O)Nc2c(C)cc(C)cc2C)c2c(=O)n(C)c(=O)n(C)c2n1 11758083 WBODOYCHQIUNIQ-UHFFFAOYSA-N 441.557 2.636 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1 12087861 XHHKESDXEAAJRZ-UHFFFAOYSA-N 430.574 2.585 0 40 IFAB CC(=O)Nc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)cc1 13001142 BUSBCOFJDNLPQS-UHFFFAOYSA-N 427.486 2.572 0 40 IFAB COc1ccccc1[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)C 13114429 OIWVVRLPPVFQIJ-OAQYLSRUSA-N 445.585 2.903 0 40 IFAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc2n1 13121582 BLHSKTDNFNPFSX-HNNXBMFYSA-N 437.529 2.658 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)COC(=O)c1ccc(Br)s1 13156193 KHDFSXJMWLQZRL-LLVKDONJSA-N 426.288 2.966 0 40 IFAB CCOC(=O)CNC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 13565043 BJVLSQLKDREENF-UHFFFAOYSA-N 429.448 2.816 0 40 IFAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 13692331 XVEUBSIQROLBBH-WMZHIEFXSA-N 438.505 2.702 0 40 IFAB O=C(CSc1nnc2nc(O)cc(-c3ccccc3)n12)Nc1ccc2c(c1)OCCO2 15881771 HNODJGVDOXQPAV-UHFFFAOYSA-N 435.465 2.999 0 40 IFAB CC[C@@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1 16695277 OQJMOSNKCCELFV-MRXNPFEDSA-N 429.318 2.885 0 40 IFAB CC(C)n1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12 16838074 QOXHALITWDCHJP-UHFFFAOYSA-N 430.468 2.898 0 40 IFAB O=C(Nc1ccccc1)Nc1nc(CCC(=O)N2CCN(c3ncccn3)CC2)cs1 16849017 FONDQBHFGZSVEG-UHFFFAOYSA-N 437.529 2.859 0 40 IFAB O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nc2ccccc2[nH]1 17304559 BDFCYHHTYRDGOE-UHFFFAOYSA-N 444.513 2.812 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)COc4ccccc4F)C3)c2N)cc1 19558790 NWEPEYRSIWQECO-OAHLLOKOSA-N 438.459 2.712 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)cc1OC 19604455 DWWGEJGGTTYZBI-UHFFFAOYSA-N 449.573 2.850 0 40 IFAB CNc1nc([C@@H]2CCCCN2CC(=O)N(C)C2CCCCC2)nc2c1CCN(C(C)=O)C2 19708559 OHSZYFOKSHISMD-NRFANRHFSA-N 442.608 2.741 0 40 IFAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCC[C@@H](CN3CCCC3)C2)c1 19751346 PPWQFJBURIFVSD-SFHVURJKSA-N 440.519 2.574 0 40 IFAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2ccccn2)CC1 19756578 DRPDZUHYJXCFAQ-UHFFFAOYSA-N 447.539 2.849 0 40 IFAB CC(=O)N1CCC(C(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)CC1 19766057 IWQNXKSCEYQVEK-IBGZPJMESA-N 435.528 2.612 0 40 IFAB CCc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 19944534 SLZNQHQRFOIPOJ-UHFFFAOYSA-N 447.543 2.806 0 40 IFAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1C 21625347 YWJJQDQKQCLVMW-UKRRQHHQSA-N 441.575 2.648 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 22271288 LYLDIBSBOZXNIZ-JOCHJYFZSA-N 439.537 2.686 0 40 IFAB Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCN(CCOc3ccccc3)CC2)C1=O 22807813 YRWKNAPPVFWRDY-OAQYLSRUSA-N 427.932 2.977 0 40 IFAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCCc1ccc(F)cc1 23142165 XEGLNNAWDNCTCZ-UHFFFAOYSA-N 442.516 2.582 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)s1 25887844 HIRXQJHVXCHTNS-SFHVURJKSA-N 447.582 2.875 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H](c3cccs3)N(C)C)C2)s1 27679744 IREXXJYXJUZGEI-HOTGVXAUSA-N 441.644 2.938 0 40 IFAB O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccccc2)CC1 30754635 WPNWAIGUIWMRCY-UHFFFAOYSA-N 427.570 2.570 0 40 IFAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31778058 CJZVCFJOQXUMRI-LJQANCHMSA-N 441.553 2.531 0 40 IFAB NC(=O)C1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)CC1 33028053 PSMVQNJISWMHJK-JOCHJYFZSA-N 448.523 2.729 0 40 IFAB CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O 35877177 GRTDGWSJUICEMG-QFIPXVFZSA-N 446.551 2.751 0 40 IFAB COc1ccc(CN2CCN(C(=O)CCCOCC(F)(F)F)CC2)c(OC)c1OC 40153050 YXAXLXRMOJKRGD-UHFFFAOYSA-N 434.455 2.716 0 40 IFAB COc1cc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)ccc1OCc1ccccc1 58134915 POJJNDAMALSIBJ-UHFFFAOYSA-N 433.464 2.742 0 40 IFAB Cc1cc(=O)n(CC(=O)N[C@@H]2CCc3ccccc32)c(N2CCN(c3ccccc3)CC2)n1 67219953 IAESCECWTCDFLJ-HSZRJFAPSA-N 443.551 2.682 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1 71000914 USENHTWFYFCYFH-UHFFFAOYSA-N 447.282 2.879 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc(F)cc3F)c2C)c1 71327137 MFKIWAHJMIGEEE-UHFFFAOYSA-N 431.399 2.773 0 40 IFAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@H](C)OCC(F)(F)F)nc1 95440772 NJFVQRIQPKYNGU-UWVGGRQHSA-N 431.333 2.918 0 40 IFAB COc1ccccc1CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 96222447 KFRRNCYSWBMJBN-FQEVSTJZSA-N 434.496 2.736 0 40 IFAB biogenic CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)Cn3nc(C)ccc3=O)CC2)nc2ccccc12 100658082 GFTGEEWNUBJKRB-HDICACEKSA-N 447.539 2.550 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(C)(=O)=O)ccc21 100872779 HKKIDSXLADNFIK-MRCUWXFGSA-N 432.523 2.696 0 40 IFAB Cc1cc(C(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 106922470 JHOHVSDHIQXHKH-FGZHOGPDSA-N 443.613 2.854 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 222869655 NVEHYXKAAWOPAY-IBGZPJMESA-N 434.514 2.974 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1C(=O)N1CCCC1 223903943 WKIZRWJFIUCNLV-UHFFFAOYSA-N 448.526 2.521 0 40 IFAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@H](Oc2ncccc2Br)C1 238821014 CQRPUWTUSDEQSL-INIZCTEOSA-N 445.317 2.766 0 40 IFAB Cc1cc(C)n(CCC(=O)N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)c(=O)n1 257204998 AXEVBLYMMYEGAF-QHCPKHFHSA-N 432.524 2.836 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257309899 UCWAOFQLPLLCAK-UHFFFAOYSA-N 440.529 2.896 0 40 IFAB O=C(CN1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1)N1CCCc2ccccc21 257337707 YUBPIBIOKFOWSF-OAQYLSRUSA-N 430.512 2.968 0 40 IFAB CC(C)n1cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306133772 MVQLOZSXLGNLNT-UKILVPOCSA-N 446.555 2.651 0 40 IFAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)c3cccc(C)c3)CC2)C1 306144592 ZJNJLRMMFBADRP-UHFFFAOYSA-N 446.511 2.862 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC3CCN(c4ccccc4)CC3)n(C)c2)C1 518522687 OOHCAZPWIKGETO-SFHVURJKSA-N 444.601 2.845 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)Cc5cccs5)C4)nc32)cc1 1334181 WQSNOYGPWMKZBC-QGZVFWFLSA-N 448.552 2.882 0 40 IFAB Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1Cc1ccco1 2358486 VFWFZUYDMDJTHN-UHFFFAOYSA-N 441.850 2.940 0 40 IFAB Cc1cccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)c1 2430714 PJBVAQWHAMQBKL-UHFFFAOYSA-N 430.512 2.526 0 40 IFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 3316569 RKTOLLTVKTUPGW-UHFFFAOYSA-N 444.553 2.951 0 40 IFAB COc1ccc([C@H]2[C@H](c3ccc(OC)c(OC)c3)[C@H]3C(=O)OCCOC(=O)[C@H]23)cc1OC 5662619 IZEJFMUSEYXSBD-FNAHDJPLSA-N 442.464 2.934 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 6113965 RWGXKNDZSFKDEH-GJZGRUSLSA-N 427.588 2.701 0 40 IFAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccc(Br)c3)s2)CC1 8588155 FYIKJHAOBNIPLB-UHFFFAOYSA-N 445.364 2.974 0 40 IFAB O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 8780102 JXLIEFCQMBHXGV-UHFFFAOYSA-N 444.376 2.623 0 40 IFAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NCc1ccco1 8995581 CAXMRHXEZIZOER-BEFAXECRSA-N 427.501 2.763 0 40 IFAB COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c1 9012557 LOALYLQTGGSWCG-HNNXBMFYSA-N 449.486 2.881 0 40 IFAB NC(=O)c1c(NC(=O)COn2nnc3ccc(C(F)(F)F)cc32)sc2c1CCCC2 9125834 SEZKAPNTNYRQFC-UHFFFAOYSA-N 439.419 2.557 0 40 IFAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc[nH]1 9364970 VXVRMBOCYBYIEO-UHFFFAOYSA-N 442.449 2.626 0 40 IFAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O 9519292 CPDNGUTYTUIEJF-HNNXBMFYSA-N 441.532 2.892 0 40 IFAB Cn1c(=O)c2c(nc(Cl)n2Cc2cn(-c3ccccc3)nc2-c2ccccc2)n(C)c1=O 9586567 DGCUDZMGJRSQFX-UHFFFAOYSA-N 446.898 2.988 0 40 IFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)c1 10296928 ATJPIKJRFUIOEG-LJQANCHMSA-N 433.428 2.556 0 40 IFAB COc1ccc(CCNC(=O)CS(=O)(=O)c2ccc(Br)s2)cc1OC 11666512 CWGFIGLZNLHESH-UHFFFAOYSA-N 448.360 2.660 0 40 IFAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccco1 12165257 IAPURFYWWVBNBM-HUUCEWRRSA-N 434.566 2.871 0 40 IFAB COc1cc2cc(N)c(C3CCN(C(=O)CCCN4CCCC4=O)CC3)nc2cc1OC 12230968 LAIZWXAVCUKMRA-UHFFFAOYSA-N 440.544 2.943 0 40 IFAB CC(C)Cc1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1 12527602 XXTZJTGKLOWLLT-UHFFFAOYSA-N 437.591 2.839 0 40 IFAB COc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 13519157 BNYINXDLKAMNDC-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 15972761 HXBDOAXXVDIWOF-UHFFFAOYSA-N 426.517 2.961 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024751 OGPXOPVGYZCTOV-LMMUWCHVSA-N 447.535 2.772 0 40 IFAB CN(C(=O)COC(=O)CSc1cccc2cccc(Cl)c12)[C@@H]1CCS(=O)(=O)C1 16050883 RIVILGUIGMIXHN-CQSZACIVSA-N 441.958 2.774 0 40 IFAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCCCCC2)cc1 16234569 PUWDFHGAAUFVPT-UHFFFAOYSA-N 446.573 2.679 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C 16626550 VLNGPEQLJOGPIG-YCPHGPKFSA-N 438.956 2.869 0 40 IFAB COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1OC 16960117 XDWNDJKKHGVYDG-UHFFFAOYSA-N 444.538 2.996 0 40 IFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cnoc3-c3ccncc3)CC2)sc1C 19124730 OZFQWPDUIQRTMQ-UHFFFAOYSA-N 432.527 2.562 0 40 IFAB O=C(Cn1cnc2sccc2c1=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 19344812 QUZHVDXTQVHBPA-LBPRGKRZSA-N 427.511 2.976 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1ccccn1)C2 19695655 HNNMTPZYEQKUEL-OAQYLSRUSA-N 432.503 2.894 0 40 IFAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(Cc3ccccc3)C1)C2=O 19699653 WPBHDOYBMSLLAL-QFIPXVFZSA-N 446.551 2.878 0 40 IFAB COc1cc(CN(C)Cc2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1OC(C)C 19700992 SLAVUGMFXLDEIU-SFHVURJKSA-N 441.576 2.916 0 40 IFAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308202 DIOKKQYCIXAFOX-QFIPXVFZSA-N 434.492 2.987 0 40 IFAB CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 22285893 ZORPVNMLWUHTSF-QKKBWIMNSA-N 435.546 2.556 0 40 IFAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 22766608 KGPQCWPCSTVESW-INIZCTEOSA-N 427.448 2.895 0 40 IFAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(F)cc2)CC1 22796291 MJZSUVSSNLFJSO-IBGZPJMESA-N 436.890 2.662 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3C)n2N)c(OC)c1 32719435 UUBBKQVNDNSWGY-CQSZACIVSA-N 427.530 2.954 0 40 IFAB CCCCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 36686401 ASBIUKQXHNUCES-UHFFFAOYSA-N 428.581 2.810 0 40 IFAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc(NS(C)(=O)=O)cc1 48355364 UXWLXVJIZXLQAX-UHFFFAOYSA-N 430.505 2.859 0 40 IFAB C[C@@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4ccc(Br)cc4)nc23)C1 49399883 VVRRZBXSRJQZTG-CYBMUJFWSA-N 445.321 2.529 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 58297789 ZOVJQDWAUCZSGA-GOSISDBHSA-N 447.479 2.524 0 40 IFAB O=C(Nc1nc2c(s1)CN(CC(=O)N1CCCc3ccccc31)CC2)c1cnccn1 77196281 NVCLXXWBVZZPII-UHFFFAOYSA-N 434.525 2.523 0 40 IFAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 95477448 PEDJXBFNHBECRK-KRWDZBQOSA-N 428.899 2.988 0 40 IFAB O=C1O[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CN1c1ccccc1 95961303 ZJMVDZYMWVDHEI-KRWDZBQOSA-N 425.514 2.941 0 40 IFAB CCN(CC)CCCNC(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96037725 SXYONMNKUIKUQS-UHFFFAOYSA-N 440.592 2.653 0 40 IFAB CN1CCCN(C(=O)c2ncn3c(C4CCN(Cc5ccccc5)CC4)ccnc23)CC1 96155688 HIPHFZZLRCZLHT-UHFFFAOYSA-N 432.572 2.887 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)/C=C/c2ccccc2)CC1 97125053 NZWIDQUWWOUWLI-VIOKTNGOSA-N 437.565 2.959 0 40 IFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1ccc(N3CCOCC3)c3nonc13)[C@H]2C(=O)O 102331250 AQSHUXMEBUYNTN-UHIXZJCNSA-N 426.473 2.691 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1C[C@H](C)O 206596825 JZNANDFHNHKZDA-LBPRGKRZSA-N 447.538 2.746 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1C 218791294 ONRDXVIKIBLOGO-LJQANCHMSA-N 432.498 2.728 0 40 IFAB COc1cc(CNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC 219170041 NADJQSMMZMBUQS-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB CCCSc1nnc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)s1 223114137 NYLHQJYRLJUOQV-UHFFFAOYSA-N 443.620 2.909 0 40 IFAB CC(C)CSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)s1 224218679 KWTHKMRQCIXSQX-UHFFFAOYSA-N 447.583 2.677 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(c4ccccc4)CC3)s2)cc1 224964835 VUAIBIMUTCTVPC-UHFFFAOYSA-N 443.554 2.610 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 247712501 KRMUSJBFIHWDDU-INADMSBESA-N 441.531 2.851 0 40 IFAB biogenic CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)cc1 248378748 KLOXZHXCWFWBAU-GQNXPXPTSA-N 443.503 2.937 0 40 IFAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257278077 OARNMRDTAQFIAT-DEOSSOPVSA-N 440.544 2.845 0 40 IFAB Cc1cccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)n1 257304517 SMAMQYNDLSEHPP-AVRDEDQJSA-N 441.503 2.688 0 40 IFAB CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(Oc3ncccn3)c2)C1 257334094 YEMMQDRPOFTYFQ-DEOSSOPVSA-N 431.496 2.926 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CC[C@@]3(COCC[C@@H]3NC(=O)Cc3ccccc3)C2)cc1 306125811 DCXQTGHTANGMGT-UPVQGACJSA-N 442.581 2.665 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408651975 BYJUORLKRNTAJW-AQQMGXQTSA-N 437.279 2.671 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709673 FENADHLDDZWZKY-MAUKXSAKSA-N 437.496 2.979 0 40 IFAB O=C(Cc1ccccc1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 409054713 VYNGVCLHDZLCLJ-UHFFFAOYSA-N 449.551 2.541 0 40 IFAB Cn1c(CN2CCOCC2)nnc1SCc1ccc(I)cc1 409200596 ISDXOQGYHFTWCZ-UHFFFAOYSA-N 430.315 2.544 0 40 IFAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1 409379879 AUBAYKGIXFEZMJ-UHFFFAOYSA-N 440.949 2.773 0 40 IFAB CCN(C)C(=O)c1cccc(S(=O)(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 564102697 PUHDCVFTABYYIQ-JOCHJYFZSA-N 434.533 2.533 0 40 IFAB Cc1c(Cl)cccc1S(=O)(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147768 ZGACIAZFAZJBLB-UHFFFAOYSA-N 441.962 2.661 0 40 IFAB O[C@@]1(COc2cccc(F)c2)COCCN(Cc2cccc(OCCn3ccnc3)c2)C1 585274665 LWAAJWZGEUWJCB-XMMPIXPASA-N 441.503 2.744 0 40 IFAB CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)CC[C@H]2C1 1228281437 NKXWCSOHOLAICM-PNKHAZJDSA-N 443.610 2.677 0 40 IFAB O=C(NCc1ccccc1)[C@H]1C[C@@H](NCc2ccccn2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O 2332241962 WVDUKQTTYACLSZ-KKSHJYNMSA-N 431.540 2.621 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2cccc(Cl)c2)cc1 665426 VZENMPRBGKWMQL-GOSISDBHSA-N 438.933 2.839 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)cc1OC 819430 IAKAIDPXTLOPJL-QFIPXVFZSA-N 438.455 2.788 0 40 IFAB O=C(C1CCC1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1 1352163 HUZFVAXBNWYENH-UHFFFAOYSA-N 426.908 2.722 0 40 IFAB COC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)sc(C(N)=O)c1C 2747776 AMBMTHJCNOQNSW-UHFFFAOYSA-N 430.408 2.673 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(C)=O 3346982 VMMMPBRSASJKFA-GOSISDBHSA-N 426.469 2.508 0 40 IFAB CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@H]23)cc1 8297289 RZEJVEXGWKJYSM-FMWKFLBASA-N 449.467 2.708 0 40 IFAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccc3c(c1)OCCO3)CC2 8764712 KAGCJKBDGPSECX-UHFFFAOYSA-N 441.484 2.572 0 40 IFAB biogenic CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3C)cc2)CC1 8831638 UJUWJIJFXPGOKZ-UHFFFAOYSA-N 440.569 2.946 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)N4CCCCCC4)CC3=O)cc2)CC1 9095661 CPKLBRFVSPZUMB-LJQANCHMSA-N 447.601 2.863 0 40 IFAB CCOC(=O)c1oc2ccccc2c1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 9515640 VJLDISYMAREMIJ-UHFFFAOYSA-N 430.482 2.604 0 40 IFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 9586575 ULURRNREKGMARP-UHFFFAOYSA-N 439.497 2.547 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1Cl 9674482 SFHMKYVPEYZSNF-QZTJIDSGSA-N 427.848 2.589 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cc(C)cc(C)c3)CC2)cc1 9676808 IBKWZIVTBIWZJW-UHFFFAOYSA-N 432.542 2.660 0 40 IFAB COCCn1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc2c(=O)n(C)c(=O)n(C)c21 11835640 GCBMEESYPXXPAK-UHFFFAOYSA-N 448.479 2.730 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 11912840 HOOUVPMKPGGCFF-UHFFFAOYSA-N 444.466 2.979 0 40 IFAB CCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1 12071606 YLQZSARMEZDWEE-UHFFFAOYSA-N 449.486 2.538 0 40 IFAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 12196560 XQPRILPOPAMHHC-OAHLLOKOSA-N 427.320 2.759 0 40 IFAB C[C@H](On1nnc2ccc(C(F)(F)F)cc21)C(=O)N1CCN(Cc2ccccc2)CC1 12551149 NRMOQBQQHYEEHO-HNNXBMFYSA-N 433.434 2.612 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 12677594 AKYUPJCJAWPQPO-LBPRGKRZSA-N 439.921 2.665 0 40 IFAB COc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC 12807966 DPVCUBYMUXYSRO-UHFFFAOYSA-N 433.530 2.929 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2nnc(-c3ccccc3C)n2)c1 13074389 PPXVEHIOYWNZME-UHFFFAOYSA-N 442.545 2.626 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574413 BXOOHUJFIJRRTN-UHFFFAOYSA-N 429.358 2.911 0 40 IFAB CCCn1c(O)nnc1S[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 16787808 IJOWZJBBZBQEGQ-VIFPVBQESA-N 429.424 2.878 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1cccs1 16985543 JIDQWRHJKHJLJM-LBPRGKRZSA-N 430.935 2.949 0 40 IFAB O=C(/C=C/c1ccc(F)cc1)NCCN1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 17094417 HVTAKYNGHVOQOP-YDWXAUTNSA-N 425.479 2.952 0 40 IFAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc2c(c1)OCCO2 17169884 LJRVSBRGTLPKFP-UHFFFAOYSA-N 439.493 2.875 0 40 IFAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 19067296 UQOXIGCZOXNYRT-UHFFFAOYSA-N 449.548 2.599 0 40 IFAB O=C(c1cnccn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccncc1 19336326 SKDQQAYNKJCETG-KCZVDYSFSA-N 431.471 2.781 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CN3CCCC3=O)CC2)cc1 19695309 DANCPEIJUPBRKW-UHFFFAOYSA-N 437.544 2.547 0 40 IFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(N(C)CCOc3ccccc3F)c2C1 19711321 JTTPTZPROKAHKY-GOSISDBHSA-N 441.551 2.845 0 40 IFAB Cc1nonc1C(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19738895 URKBTNDHCDVTNG-QGZVFWFLSA-N 438.532 2.966 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 19819917 NZDVHQDBIOQXLJ-LBPRGKRZSA-N 430.896 2.776 0 40 IFAB CCOc1cc(CN(C)Cn2nc(C(=O)NC)c3ccccc3c2=O)ccc1OC(F)F 25483189 HCXLTBKWFCAWAE-UHFFFAOYSA-N 446.454 2.846 0 40 IFAB CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCc2ccccn2)c1 25580168 ZDJJAAOJWYMBDJ-UHFFFAOYSA-N 440.363 2.751 0 40 IFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)/C=C/c1cc(OC)ccc1OC 27505633 UCRXRRNMQILUJD-KPKJPENVSA-N 425.485 2.693 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCn3cccn3)CC2)c1C 30171959 KKENTEYFJJDFNF-UHFFFAOYSA-N 432.590 2.724 0 40 IFAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C2=O)o1 34767838 QEYRHSOXDIYOEB-LZYBPNLTSA-N 447.421 2.775 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)Nc3nccs3)o2)cc1OC 35597488 KCIPFAULBBZZFH-UHFFFAOYSA-N 437.499 2.527 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(OC)c1 38834681 BRKQKBLFORARTD-KRWDZBQOSA-N 440.905 2.913 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)cc1 43941129 AMBHPSRDCWDLHT-UHFFFAOYSA-N 427.501 2.650 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c2=O)c1 57486005 JKGNKWNHUVAWIY-HZPDHXFCSA-N 441.553 2.786 0 40 IFAB CN1c2ncccc2C(=O)N[C@@H]1c1ccccc1NC(=O)CCn1nnc2ccccc21 72347368 FENIDSGJHAFMBC-QFIPXVFZSA-N 427.468 2.734 0 40 IFAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C3CCOCC3)CC2)C1 72372427 QEXXGTRKJZQWGI-OAQYLSRUSA-N 427.589 2.702 0 40 IFAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 72396219 HMWIAGIYQAWKHY-FQEVSTJZSA-N 444.601 2.733 0 40 IFAB CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 95458133 HPAGTDHZHSJOPE-SPLOXXLWSA-N 436.505 2.589 0 40 IFAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccncc4)CC3)c3ccccc32)CC1 96052949 FMDPKFNAYLVGCS-OAQYLSRUSA-N 432.568 2.907 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)CC2)cc1 97943636 SZTOCQGELIIOQD-JOCHJYFZSA-N 445.523 2.765 0 40 IFAB CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 101128026 NTNFVQUAJMSDFP-OAFZBRQQSA-N 427.291 2.615 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 102390628 RXRYRPFYOSLBSI-FUHIMQAGSA-N 436.574 2.959 0 40 IFAB COc1cccc(N(CCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)c1 223459001 FMSBXJSXKWFQFX-UHFFFAOYSA-N 433.530 2.582 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225223385 RUJKBDXXBSPLAV-LJQANCHMSA-N 445.585 2.541 0 40 IFAB O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1)N1CCOCC1 225571085 QVDCTPALARRRAY-UHFFFAOYSA-N 442.487 2.750 0 40 IFAB O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1ccnn1C(F)F 257289035 PWSHSZSWINWMDY-KKLQWCBXSA-N 448.514 2.582 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)nc2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257292406 QLHMBPJBFROZGL-INIZCTEOSA-N 425.924 2.861 0 40 IFAB COc1cccc(-n2nccc2-c2nc(C(=O)NCC3CCOCC3)c3cnccn23)c1 306127340 FWICQZQVVKZMJQ-UHFFFAOYSA-N 432.484 2.747 0 40 IFAB CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 932489 GMHOEAGPLWOXPA-UHFFFAOYSA-N 440.485 2.513 0 40 IFAB COC(=O)[C@@H](C(=O)C(N)=O)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 1629323 VIAAEKKFZBLEJO-LJQANCHMSA-N 446.488 2.974 0 40 IFAB COC(=O)c1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)OC)c1C 1801736 BNDSRJAFDGHWAH-UHFFFAOYSA-N 445.902 2.696 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(Cl)c3)cc2C1=O 1973262 SZNWHDRLXVZLGV-UHFFFAOYSA-N 430.844 2.768 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3nccs3)C2=O)cc(OC)c1OC 2707613 AEKHBKFKZNAIMW-JYRVWZFOSA-N 435.483 2.844 0 40 IFAB CCOC(=O)[C@@](Nc1ccccc1OC)(NS(=O)(=O)c1ccccc1)C(F)(F)F 3103511 RBZARVNOGWPRCS-QGZVFWFLSA-N 432.420 2.907 0 40 IFAB O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N2 6499048 ZLMFUIKHFUEXJC-UHFFFAOYSA-N 448.279 2.963 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 9315737 JAOBNZORMAIVBR-UHFFFAOYSA-N 437.587 2.557 0 40 IFAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2ccccn2)cn3C2CC2)CC1 9422344 NACOPQRXLQHKDD-UHFFFAOYSA-N 449.530 2.942 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O 12086538 WXUPZCULPWAEGB-FYSMJZIKSA-N 438.503 2.703 0 40 IFAB Cn1c(=O)c2c(-c3ccc(Br)cc3)n(Cc3cccnc3)cc2n(C)c1=O 12428133 NFKLCXVHYFKVJE-UHFFFAOYSA-N 425.286 2.912 0 40 IFAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)N2CCC(C)CC2)cc1OC 12591993 FJNIIMGDSFIBKW-UHFFFAOYSA-N 430.457 2.964 0 40 IFAB COC(=O)c1ccc2c(c1)s/c(=N/C(=O)CCCS(=O)(=O)c1ccccc1)n2C 12630010 RAWHGGGZTNUCLT-QZQOTICOSA-N 432.523 2.708 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O 12679159 ZIQBVWPFPWFONG-DFBJGRDBSA-N 449.507 2.979 0 40 IFAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 12992634 NJIPFGPVSPHJKU-QGZVFWFLSA-N 426.516 2.603 0 40 IFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)COc2cc(C)cc(C)c2)c(=O)[nH]c1=O 13040490 BHYYIMCHSRQBQO-UHFFFAOYSA-N 440.500 2.741 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[C@@H]1C 13057478 XTLWQNKCRURYSP-MDZRGWNJSA-N 427.998 2.587 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 13097736 QDAVZOFNAISQOC-FQEVSTJZSA-N 433.434 2.647 0 40 IFAB Cn1c(Cc2cccs2)nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S 13098851 XBRRGOVEQCTKND-UHFFFAOYSA-N 449.627 2.567 0 40 IFAB CCn1c(SCC(=O)OCC(=O)NC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 13149570 POUGDLLVOPHSSQ-UHFFFAOYSA-N 448.888 2.803 0 40 IFAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)N21 14607378 OCKLKKYYODROGZ-SNVBAGLBSA-N 434.827 2.720 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1F 16689716 IWWSUFMDAAMHNB-CQSZACIVSA-N 439.534 2.575 0 40 IFAB O=C(c1cccs1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 19342841 DPWWVMFAHHJFOA-KRWDZBQOSA-N 426.542 2.884 0 40 IFAB CC[C@H](c1nnnn1C(C)(C)C)N(CCOC)Cc1cc2cccc(C)c2n2nnnc12 19500565 AHDHQXSJHRIAHY-GOSISDBHSA-N 437.552 2.927 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502999 PLKRCIYTZBOURS-JOCHJYFZSA-N 444.535 2.990 0 40 IFAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(S(=O)(=O)c2ccccc2)C1 19703412 KSCHMOVYSZVRKZ-JOCHJYFZSA-N 425.510 2.711 0 40 IFAB CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)nc2c1CN(C)CC2 19711415 MBWOTNAKZZKNDX-OAHLLOKOSA-N 427.524 2.819 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 20716146 WHFQASMQWTYOSR-KRWDZBQOSA-N 435.440 2.652 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 21682834 GMKAPPPIIJMYHY-UHFFFAOYSA-N 431.558 2.996 0 40 IFAB CSCC[C@@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc2ccccc2[nH]1 23805372 YWDVLNFYMKFYLZ-XKZIZAOGSA-N 443.573 2.974 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)[C@@H]1C 24456514 JWNYPAGYDVUNPH-BFYDXBDKSA-N 431.562 2.557 0 40 IFAB C[C@H](OC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)NC1CCCCCC1 25731809 GCVOYEFPLIJPDS-SYJLOODJSA-N 435.565 2.894 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31582988 DEWSLVZWIHTUBA-QGZVFWFLSA-N 427.526 2.853 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(O)cc3)CC2)cc1 32921934 AERFDIWFYZWVFR-UHFFFAOYSA-N 432.542 2.850 0 40 IFAB COc1ccc(CCNC[C@@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1OC 35686211 HAUFJXSHOCQVGS-GOSISDBHSA-N 427.497 2.999 0 40 IFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c1CCO 67301005 HJZUMLGSHDQDRR-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB COc1ccccc1CC(=O)N1CCC(NC(=O)c2cccnc2OCC(F)F)CC1 89473606 LUNNTKBYKHEIFO-UHFFFAOYSA-N 433.455 2.698 0 40 IFAB COc1ccc(N(C[C@@H](O)CNCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 95117119 IHFZHMXDWNMQDA-IBGZPJMESA-N 430.526 2.943 0 40 IFAB COc1ccc(NC(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C(C)=O)C[C@@H]32)cc1 96143802 HMUIGPGGJLIXOD-GBXCKJPGSA-N 442.560 2.656 0 40 IFAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)SC[C@@H]2N1 96221196 ZSPIKXJQPPXIGV-LNLFQRSKSA-N 437.993 2.876 0 40 IFAB biogenic O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 102827586 JSQKXMAIWPYSOX-KDURUIRLSA-N 433.512 2.951 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)cc1 208193550 UHQGAHOMMGNWMW-LOCCHRAXSA-N 436.464 2.638 0 40 IFAB biogenic COc1ccc(Br)c(C(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)c1 211074257 SOZJMYNDDDEQEX-UHFFFAOYSA-N 447.289 2.841 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220088418 UNZPMUWPPCRTJH-UHFFFAOYSA-N 425.457 2.509 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223517597 NVBOKRYAIYJKFF-LJQANCHMSA-N 445.585 2.623 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225731440 JYOLSKSAJGIIDM-OAHLLOKOSA-N 443.447 2.644 0 40 IFAB Cc1c(C(=O)N2CCC(n3c(O)nc4ccccc4c3=O)CC2)nnn1-c1ccc(F)cc1 238875269 NWQSLCOHGTXJKV-UHFFFAOYSA-N 448.458 2.608 0 40 IFAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(C(=O)[C@@H](N)CCC(=O)O)C[C@H]3C[C@@H]21 257238539 HLMJVTKQXRZTBO-GYBPFOEHSA-N 436.936 2.998 0 40 IFAB CCc1ccc(CN2CC[C@]3(C2)CN(CCOC)S(=O)(=O)c2ccccc2O3)cc1 306123453 ANMWMROJZISIIL-QHCPKHFHSA-N 430.570 2.923 0 40 IFAB Cc1ccsc1CN1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 306134983 ODVUTSNMTANRNH-QZTJIDSGSA-N 442.566 2.683 0 40 IFAB CCOCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 306138617 SCFYLOSIUIALPW-PGRDOPGGSA-N 445.589 2.610 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(OC)cc2)c(Cl)c1 408557318 MMJVPJJCVXCGGC-UHFFFAOYSA-N 440.949 2.775 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)N1CCOCC1 408693093 GSUYNHBDCMAPPO-UHFFFAOYSA-N 434.514 2.756 0 40 IFAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1ncn(-c2cccc(F)c2)n1 585112765 VGSRAFMRXRAPNY-FQEVSTJZSA-N 432.459 2.695 0 40 IFAB Cc1cccnc1CN1CCC[C@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1 2037818669 IWASGEPPMYAPCH-AREMUKBSSA-N 448.567 2.857 0 40 IFAB O=C1NCC2(CC=CCCOc3ccccc31)CCN(C(=O)CCN1CCCC1=O)CC2 2037818730 USEAIJOQSJXQNQ-UHFFFAOYSA-N 439.556 2.767 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)Cc5ccccc5)CC4)nc32)cc1 1324623 BEWZIKGMRUVAQX-UHFFFAOYSA-N 442.523 2.820 0 40 IFAB O=C(c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1)N1CCOCC1 1953604 FULYSPRKRRWFNK-UHFFFAOYSA-N 439.899 2.633 0 40 IFAB O=C(CSC1=NCCS1)NC(NC(=O)CSC1=NCCS1)c1ccccc1 2172135 VHOGYKMZSKDGFU-UHFFFAOYSA-N 440.641 2.590 0 40 IFAB COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 2646786 UHMNGRAKCJOPLF-NRFANRHFSA-N 427.932 2.841 0 40 IFAB C[C@@H](C(=O)NCCc1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918040 CPFKTTQCEPZJGA-LMKMVOKYSA-N 430.508 2.951 0 40 IFAB biogenic O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1F 9221030 NATXSDYHCPOHPA-UHFFFAOYSA-N 427.885 2.551 0 40 IFAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 9302536 FZHQYMTYSZDTBX-NSHDSACASA-N 443.558 2.766 0 40 IFAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC)c(OC)c2)cc1 9344374 JQGJDPIJNCHTMK-QZTJIDSGSA-N 448.566 2.987 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 9460292 YTHKGKVPRYVBRQ-PBHICJAKSA-N 449.960 2.717 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C(=C/c2ccccc2)n2nnnc2C)c1C 9539627 VAAIDTSWDQAAHW-BOPFTXTBSA-N 437.456 2.527 0 40 IFAB Cc1ccc(-c2csc3nc(CSc4nnc(CCC(N)=O)n4C)[nH]c(=O)c23)s1 9666488 WPQULEPRLDRREV-UHFFFAOYSA-N 446.583 2.860 0 40 IFAB COc1cccc([C@@H](CNC[C@H](O)CN2CCOCC2)c2c[nH]c3ccccc23)c1OC 9729823 KAVXKBBNRLRKNZ-GHTZIAJQSA-N 439.556 2.600 0 40 IFAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 9783565 XVEWISBBUIPNBJ-INIZCTEOSA-N 436.522 2.930 0 40 IFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1=O 9954170 PFUSUBPWJPLBFT-HUJREVKFSA-N 448.523 2.571 0 40 IFAB CC1CCN(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 10540720 PDJDGYIGKXRUAS-UHFFFAOYSA-N 436.405 2.998 0 40 IFAB CCN(CCNC(=O)COC(=O)/C=C/c1cc(C(=O)OC)c(C)o1)c1cccc(C)c1 10983494 TVPGPQJDKTVMGI-MDZDMXLPSA-N 428.485 2.882 0 40 IFAB C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12887119 VDQDXBBARHBDTC-OAHLLOKOSA-N 449.523 2.787 0 40 IFAB COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(=O)c1ccccc1F 13566294 DJRAUJRKUVKGBF-UHFFFAOYSA-N 432.477 2.652 0 40 IFAB Cn1c(CNC(=O)[C@@H]2CCCO2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 13691549 FAFLSWHBOKTDNX-SFHVURJKSA-N 448.932 2.823 0 40 IFAB C[C@@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 14230263 RQICSZYDCOEIMX-SECBINFHSA-N 435.786 2.561 0 40 IFAB CCOc1ccc(C(=O)N2CCC(NC(=O)CNC(=O)c3cccc(Cl)c3)CC2)cc1 14255135 FNKLETUORRJGJR-UHFFFAOYSA-N 443.931 2.890 0 40 IFAB CCOC(=O)c1sc2nc(C)nc(N3CCC[C@H](C(=O)N4CCOCC4)C3)c2c1C 14330948 DFGVPWJRBIGIBI-HNNXBMFYSA-N 432.546 2.560 0 40 IFAB O=C1[C@@H](c2ccco2)N(c2ccc3c(c2)OCCO3)C(=O)CN1c1ccc2c(c1)OCCO2 15413486 PQSFFRRFHYCBOC-HSZRJFAPSA-N 448.431 2.943 0 40 IFAB COC(=O)CCn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 17180810 ITQAFHDYHIHAJZ-UHFFFAOYSA-N 429.473 2.507 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)cc1OC 17304024 CLJIRPBYQLFNFH-UHFFFAOYSA-N 444.513 2.620 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 18104720 MHMIRSPWMHDHLW-UHFFFAOYSA-N 427.526 2.853 0 40 IFAB O=C1CCCN1CCCC(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19406697 MENYRWXYYJWVRI-UHFFFAOYSA-N 428.558 2.682 0 40 IFAB COc1ccc(C2(CN3CCC(NC(=O)C[C@H]4CCS(=O)(=O)C4)CC3)CCCC2)cc1 19553767 WLCGPUSWQOIPKG-LJQANCHMSA-N 448.629 2.912 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3c(C)[nH]c4ccc(F)cc34)CC2)cc1 19581430 PUWSBFJMOVHNQK-OAQYLSRUSA-N 447.532 2.664 0 40 IFAB COc1cccc(CN(C)CC(=O)N2CCC[C@@H](c3ccc4c(N)nc(C)nc4n3)C2)c1 19743608 BMJZQYNLFSBZNV-GOSISDBHSA-N 434.544 2.762 0 40 IFAB O=C(NCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 19990937 RGFIAZUOKREUTG-QHCPKHFHSA-N 425.554 2.523 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2N)c(OC)c1 21576868 VTJDNYIOMXURKH-UHFFFAOYSA-N 425.514 2.896 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1C 22247331 XMVXKTUZOACGIR-CTNGQTDRSA-N 446.569 2.579 0 40 IFAB CNC(=O)NC(=O)[C@H](OC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 23485306 VSCKWKYVJALGIT-SCLBCKFNSA-N 447.488 2.626 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(CN3CCC(C(=O)N4CCCCCC4)CC3)C2=O)c1 23674943 WJYWGVCFODVQCM-DEOSSOPVSA-N 442.560 2.534 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)COc3cccc(Br)c3)C2=O)c1 24086918 YETOCZQFJRDXBO-FOIQADDNSA-N 449.301 2.665 0 40 IFAB CCOc1ccccc1N1CCN(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 25266561 ROUNFTYEWDSRNN-VWLOTQADSA-N 434.540 2.948 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)c1 29087489 XAQADCRFXBXASB-LJQANCHMSA-N 430.505 2.765 0 40 IFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CCCN(c2cnccn2)C1 29754359 CZAMDDXCMZPWKX-CQSZACIVSA-N 437.422 2.689 0 40 IFAB O=C(NCCc1csc(-c2cccnc2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 31773218 NJKBDTUZAQTLEH-UHFFFAOYSA-N 442.566 2.962 0 40 IFAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 32833621 PWDODSKMLZQDNW-UHFFFAOYSA-N 427.442 2.787 0 40 IFAB O=C(COc1ccccc1Cl)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 36394945 JITOCNYOHMRWCR-QGZVFWFLSA-N 432.904 2.709 0 40 IFAB C[C@@H](NC(=O)CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 36450887 ILTPGDMTGGGGPU-HXOBKFHXSA-N 449.507 2.594 0 40 IFAB CC(C)n1cnc2nc(COc3ccc(Cl)cc3NC(=O)[C@H]3CCCO3)cc(=O)n21 41089779 OZCYRFARSLZLJB-QGZVFWFLSA-N 431.880 2.822 0 40 IFAB Cc1c(CCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c(=O)[nH]c2c1c(=O)[nH]n2C 48341161 KMWFRJZMIGPTLA-UHFFFAOYSA-N 426.492 2.563 0 40 IFAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1 57327745 OKVMALCYGINHOW-UHFFFAOYSA-N 443.525 2.835 0 40 IFAB CCN1N=C(SCC(=O)Nc2ccc(C(N)=O)cc2)N=C(Oc2ccccc2)[C@H]1C 57401892 FEMWZNPIOIXAHB-CQSZACIVSA-N 425.514 2.930 0 40 IFAB CC(C)c1c(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)cnn1-c1ccccn1 58184290 XZSUIUZGNKMZFU-UHFFFAOYSA-N 433.560 2.858 0 40 IFAB O=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccco2)CC1 58215779 GFBVDCAMQIRFCB-GDLZYMKVSA-N 428.432 2.532 0 40 IFAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)c2ccccc2O)CC1 58393473 IOMUZZXDSQEKML-UHFFFAOYSA-N 430.888 2.734 0 40 IFAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4C)c(=O)c3s2)CC1 67225926 FBQAZGMNWARCCQ-UHFFFAOYSA-N 446.964 2.595 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3cccnc3)n2C)cc1 72191632 QWELFYLHYFFNGH-ZDUSSCGKSA-N 426.502 2.519 0 40 IFAB C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 79069337 IECTXGNLHOSSOT-KUHUBIRLSA-N 434.489 2.992 0 40 IFAB COc1ccc(CCC(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)cc1 96024226 PXKAPWMBQGHIFG-UHFFFAOYSA-N 434.540 2.750 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC1CCN(Cc2ccc(F)cc2)CC1 96221014 MMTLYGIOBQOSIZ-ZJOUEHCJSA-N 434.581 2.632 0 40 IFAB biogenic CC[C@H](OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(C)cc4C)C(=O)[C@H]13)O2)C(=O)NC(C)(C)C 100442916 PYTPVJGHIUBBRS-WFFUTXBBSA-N 440.540 2.826 0 40 IFAB CC1=C(C(=O)OCCO[N+](=O)[O-])[C@H](c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 100644663 UKKGXITYIIMGLF-AWEZNQCLSA-N 431.323 2.926 0 40 IFAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 103280135 HFQGEDUBUNUDLP-OKILXGFUSA-N 428.842 2.785 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225467575 FTXCUTVNHWYYBJ-KRWDZBQOSA-N 432.542 2.680 0 40 IFAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225705613 IYNOLDMMPCNNFO-OAQYLSRUSA-N 445.585 2.785 0 40 IFAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)c(OC)c1 225834171 IMFZZNRGFLXVBW-LBPRGKRZSA-N 428.536 2.579 0 40 IFAB CN1CCN(C(=O)COC[C@H]2CCCO2)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 257290649 QDUJTRSYHIVWIV-WOJBJXKFSA-N 428.554 2.822 0 40 IFAB COc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1Cl 390830190 JILXLVRFUBGKJF-GOSISDBHSA-N 429.947 2.899 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408595672 SOGBJOAUFNVPAT-ZDUSSCGKSA-N 442.921 2.679 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 408672711 ZPFGNKZEJIVGSO-WOJBJXKFSA-N 434.448 2.946 0 40 IFAB COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1OC 408964682 YUQOJJAHYKRHMF-UHFFFAOYSA-N 437.540 2.905 0 40 IFAB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ncccn3)n2C)C(C)C)c1 409157837 WAIWCRQNHKJHHN-QGZVFWFLSA-N 439.545 2.771 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCOC(C)C)C2)cc1Cl 409387771 BIZOQPXSYBRUIA-OAHLLOKOSA-N 432.970 2.681 0 40 IFAB COc1ccc(-c2csc(NC(=S)N[C@]3(C)CCS(=O)(=O)C3)n2)cc1OC 575423832 RLOAXYIGPBDWID-QGZVFWFLSA-N 427.573 2.691 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)c1 886325 KGQGUKWFHBSXKX-GOSISDBHSA-N 448.541 2.503 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2640363 SVYQHCHEBILHQY-UHFFFAOYSA-N 440.477 2.504 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1Br 3299413 JBKYKUBGIIPHML-UHFFFAOYSA-N 445.360 2.713 0 40 IFAB C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4155993 XSNLHIWRTQZZSU-SYCOBUBCSA-N 434.286 2.595 0 40 IFAB O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1SCc1ccco1 4259310 UDGBLNNBUKYSMC-YLFCFFPRSA-N 429.458 2.514 0 40 IFAB biogenic,in-vitro Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(N)=O)cc3)C2=O)cc1C 4460750 KOKTZJFKZPCKDA-VCHYOVAHSA-N 439.493 2.843 0 40 IFAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 8755621 PNUJVUIYPHNAJW-YOCVDRLZSA-N 447.557 2.549 0 40 IFAB COc1ccc([C@@H](CNC(=O)CN2C(=O)NC(C)(C)C2=O)c2c[nH]c3ccccc23)cc1 8880548 HJNAYZDFUFDJMP-GOSISDBHSA-N 434.496 2.755 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1Cl 9569883 SWPDRGHWQNSVFB-UHFFFAOYSA-N 443.903 2.500 0 40 IFAB Cc1cccc2sc(N3CCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)CC3)nc12 10252860 OLPVPAQZJWXDIX-UHFFFAOYSA-N 429.567 2.900 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)c(OC)c1 10254889 WTSLNFAYXJBATJ-UHFFFAOYSA-N 442.497 2.595 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)c1 10255277 BTDJEUPRYZNROX-QGZVFWFLSA-N 442.541 2.600 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10370975 QVJHKTBVPLAOEI-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB O=C(COC(=O)COc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 10731684 VRHZUZSJZAQXNA-UHFFFAOYSA-N 446.525 2.812 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccccc3OC)cs2)cc1 11693237 FPCWWWAZSWHBPS-UHFFFAOYSA-N 433.511 2.891 0 40 IFAB COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 12006070 NSLRHZCWGQUOQG-NSHDSACASA-N 436.873 2.691 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)nn2c1O 12154104 JQPIOCLOKGWGDU-FOIQADDNSA-N 446.511 2.940 0 40 IFAB Cc1ccc(-n2c(SCC(=O)N(C)CC(=O)NC(C)(C)C)nnc2N2CCCC2)cc1 12589202 HCAYTINCBUWNFM-UHFFFAOYSA-N 444.605 2.641 0 40 IFAB CC(C)(C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 12878276 AQXBBCFKRPCPIP-UHFFFAOYSA-N 438.575 2.918 0 40 IFAB NC(=O)C1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1 13117602 RGAUOSRUVOFWGI-UHFFFAOYSA-N 443.598 2.954 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1C 13164187 IUKCULALDHHGKF-QHCPKHFHSA-N 439.468 2.645 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)sc2c1 13495638 CQBZFCJBURMPGS-NSHDSACASA-N 433.486 2.831 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 13647416 NXLAFUKKTYBFCZ-UHFFFAOYSA-N 430.526 2.678 0 40 IFAB CCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2c1CCCCC2 13704863 MRZPNHKWNALLFU-UHFFFAOYSA-N 428.576 2.804 0 40 IFAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nnc(C(C)C)s1 13956340 MILQXPNYAFUBLV-UHFFFAOYSA-N 435.535 2.527 0 40 IFAB COC(=O)c1ccc(CNC(=O)CN(C)CCOc2ccc(Br)cc2)cc1 16695802 BWYXNIPPICPMHM-UHFFFAOYSA-N 435.318 2.863 0 40 IFAB COCCn1nnnc1[C@H](c1ccccn1)N1CCN(c2cc(Cl)ccc2C)CC1 19214562 ICDOKTYCUPJTPK-FQEVSTJZSA-N 427.940 2.588 0 40 IFAB NC(=O)[C@H]1CCCN(C(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccnc(Cl)c32)C1 19332252 OKQNQMYUVMEDSG-AWEZNQCLSA-N 442.878 2.784 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 19579713 GOHZIRHDZIUYBZ-OFVILXPXSA-N 437.515 2.621 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)n1 19760861 SKVCVRHMVNDRSU-FQEVSTJZSA-N 445.589 2.664 0 40 IFAB Nc1nc(C2CCN(C(=O)c3[nH]nc4c3CCCCC4)CC2)ccc1C(=O)N1CCCC1 19766009 LXWYBHUIHIVAGU-UHFFFAOYSA-N 436.560 2.912 0 40 IFAB O=C(NCCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 19943352 DNWNLWKEYXGQNH-UHFFFAOYSA-N 437.949 2.593 0 40 IFAB COC(=O)c1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc(C(=O)OC)c1 20110604 ASLACIBWNVWWHV-UHFFFAOYSA-N 440.861 2.537 0 40 IFAB CC(C)[C@@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 21733457 GWFJENFWGAGBIF-OXQOHEQNSA-N 447.561 2.619 0 40 IFAB CCN1CCC[C@H]1CNCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 22922112 LMYJAEMXJWUBOW-FQEVSTJZSA-N 430.574 2.524 0 40 IFAB C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 23108299 IKOPDLAXYUNAKN-ZIAGYGMSSA-N 448.449 2.889 0 40 IFAB CCOc1cc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)ccc1OC(C)=O 26534108 JGMWXIVOZDHEKY-XDHOZWIPSA-N 437.477 2.698 0 40 IFAB C[C@H]1CN(Cc2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@@H](C)O1 31413561 DXNUTDYWHJQKHE-UEXGIBASSA-N 425.529 2.554 0 40 IFAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)no1 32898908 OSHMANZWQYIQBN-CQSZACIVSA-N 431.514 2.870 0 40 IFAB O=C(c1ccc(C(F)(F)F)nc1O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 32904968 HDGVTBRNWUGGRJ-LBPRGKRZSA-N 448.401 2.864 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1nnc(-c2ccc(Cl)cc2-n2cnnn2)n1 35290004 LUXRCFKUXLXGSB-UHFFFAOYSA-N 430.259 2.570 0 40 IFAB COCCNS(=O)(=O)c1cc(C(=O)OCc2ccccc2OC(F)F)ccc1OC 36712620 IONRZBKXINIPFL-UHFFFAOYSA-N 445.440 2.578 0 40 IFAB CC(=O)c1cccc(OC[C@@H](O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 40050651 VCNFEASNCDQVJS-HKUYNNGSSA-N 442.537 2.656 0 40 IFAB CCc1cc(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(-c2ccc(F)cc2)n1 57508498 MKXFTDSGSBRNJX-UHFFFAOYSA-N 439.487 2.988 0 40 IFAB CN(C(=O)c1ccc(COc2ccc(Br)cc2)o1)[C@@H]1CCS(=O)(=O)C1 65515290 QGINXHIIZXALIW-CYBMUJFWSA-N 428.304 2.880 0 40 IFAB Cc1cc(N2C[C@H](C(=O)N3CCC[C@H](C4OCCO4)C3)CC2=O)ccc1Br 69232383 LYXIZWWAUXWTRB-LSDHHAIUSA-N 437.334 2.722 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3ccc(C)nn3)CC2)c(C)c1 70922885 OTGMZMFZPLFSBI-UHFFFAOYSA-N 431.562 2.637 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N2CCC(C)CC2)C(=O)N2CCCN=C32)cc1 72336704 ZEFDDOKWNHQCAZ-UHFFFAOYSA-N 436.516 2.532 0 40 IFAB COc1ccc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)cc1CN1CCCC1 72336820 MSTUAUVFUQZEER-UHFFFAOYSA-N 431.540 2.995 0 40 IFAB CCOc1ccccc1NC(=O)CN1CC(c2nc(-c3cccc(C(=O)NC)c3)no2)C1 77099592 VHEFPKRZFVCBJD-UHFFFAOYSA-N 435.484 2.533 0 40 IFAB Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3Br)CC2)c1 84146410 XKMDCCGJNVLAQY-UHFFFAOYSA-N 439.331 2.610 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1cccc(C)c1 96521154 BBHRFODQAAKMCA-GHMZBOCLSA-N 433.105 2.947 0 40 IFAB C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103266920 XSUFDSFPXMQTHC-FPMFFAJLSA-N 425.466 2.817 0 40 IFAB COc1ccc(CCNC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 219188764 TWZJACNJSNNZJT-UHFFFAOYSA-N 446.525 2.582 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1Cl 224152492 CQAPMVZRVFAAPT-UHFFFAOYSA-N 443.928 2.596 0 40 IFAB Cc1cccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c1C 224766801 OUCNPWQOFASEBZ-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB COc1cccc(-c2n[nH]cc2C(=O)N2CCC(n3c(O)nc4ccccc4c3=O)CC2)c1 238893661 QVQIQLGZWANYJF-UHFFFAOYSA-N 445.479 2.978 0 40 IFAB COc1cccc(Nc2ncccc2C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)c1 257205210 AYCBBBBKBDLSHU-JOCHJYFZSA-N 445.523 2.646 0 40 IFAB Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@H](c4cccc(-c5ccc(N)nc5)n4)C3)c2c1 257252232 JUANMZGBJHMXJL-NRFANRHFSA-N 445.479 2.542 0 40 IFAB CC(=O)N1CCN(C(=O)c2cc(C)nc(C3(C)CCN(C)CC3)n2)[C@H](c2ccccc2)C1 257257598 KQIDUSOZQJZUEQ-QFIPXVFZSA-N 435.572 2.814 0 40 IFAB CC(C)OCCCNS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408601301 FHLWTVRTTAMECO-KRWDZBQOSA-N 426.579 2.996 0 40 IFAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)c1 408608636 RQNUWQNPOXRYTQ-UHFFFAOYSA-N 427.482 2.586 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408656065 IIWIJDDWYOSVTF-CESHALSISA-N 439.295 2.895 0 40 IFAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408666678 RNEBORAFABGCGS-SWCJPYALSA-N 446.503 2.811 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1OC 409057108 UCXOVLMYGNVCIB-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC)C2=O)cc1Br 409245642 WXMYRJUAFYJYKY-KPKJPENVSA-N 431.670 2.957 0 40 IFAB C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl 504258979 UOINRPLSZWXLKE-ZDUSSCGKSA-N 435.858 2.780 0 40 IFAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc([C@]5(C)NC(=O)NC5=O)c4)C3)[nH]c2c1 532650486 OOXCBNDNESSIEL-GYCJOSAFSA-N 431.496 2.946 0 40 IFAB COc1cc(-c2nnc(SCn3nnc4ccccc4c3=O)o2)cc(OC)c1OC 2662874 KPUDSOZSNRLAOO-UHFFFAOYSA-N 427.442 2.617 0 40 IFAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 3433927 GYLIXASIJNMIOH-UHFFFAOYSA-N 429.454 2.826 0 40 IFAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)NC(N)=O)c12 3531794 FWEFTCUALULQFS-UHFFFAOYSA-N 435.465 2.809 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc2c1=O 6073785 SPUIZQQNIVOEEA-UHFFFAOYSA-N 426.498 2.732 0 40 IFAB CC(C)Oc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)cc1 9016645 STAMYJITNQZLMF-UHFFFAOYSA-N 449.486 2.998 0 40 IFAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9127033 CVINWXYRWXVYEL-MRXNPFEDSA-N 433.961 2.624 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4OC)ccn3n2)cc1 9321216 CTAFCBNCSFJJBA-UHFFFAOYSA-N 432.480 2.887 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCCNc2nc(Cl)nc3[nH]cnc23)CC1 9423431 GXONITJQGUMZHY-UHFFFAOYSA-N 429.912 2.556 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccncc3)o2)cc1 9428096 OTWIUEYALLAGOV-CQSZACIVSA-N 427.486 2.947 0 40 IFAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCN(c2ccccc2)CC1 9489708 QZVXPDOICPRAFD-UHFFFAOYSA-N 431.525 2.627 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9494122 PLXUFHHNMJXLJO-XMMPIXPASA-N 435.480 2.742 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1CCO)Nc1cccc(Br)c1 9665881 HFTZCCRTUARZCW-UHFFFAOYSA-N 434.315 2.882 0 40 IFAB Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9743569 YANFZDROWUXPQX-SFHVURJKSA-N 429.542 2.683 0 40 IFAB COc1cc2cc(N)c(C3CCN(C(=O)c4cnc(N(C)C)nc4)CC3)nc2cc1OC 12087980 XXMDVNJAGDYISW-UHFFFAOYSA-N 436.516 2.710 0 40 IFAB COc1ccc(CN2CCC(CNC(=O)CN3C(=O)[C@H](C)Oc4ccccc43)CC2)cc1 12186199 FPARJGOLXRKFGQ-SFHVURJKSA-N 437.540 2.838 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 12194412 ODZMQAIFUYJUDV-UHFFFAOYSA-N 429.542 2.588 0 40 IFAB COc1ccc(S(=O)(=O)CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 12232715 IXTHGTAPACLQNL-UHFFFAOYSA-N 430.507 2.935 0 40 IFAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1 12548705 ZDSSUSQLJFXVTD-UHFFFAOYSA-N 441.303 2.657 0 40 IFAB Cc1cnc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C(F)(F)F)n3)cc2)cn1 12561176 RXSFOSGPCDQAGQ-UHFFFAOYSA-N 438.391 2.647 0 40 IFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 12567731 BVIWHHBXPGZHKT-UHFFFAOYSA-N 441.915 2.917 0 40 IFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1C 12907972 JSORNDFVRQSHAA-UHFFFAOYSA-N 430.526 2.611 0 40 IFAB CCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1 12919111 HCVRSWFBTXFLAK-UHFFFAOYSA-N 440.529 2.558 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(c3ccc(Cl)nn3)CC2)c1 12919138 SRINLAOEJMBHKR-SFHVURJKSA-N 445.951 2.633 0 40 IFAB CCN(C(=O)Cc1cccc(C(F)(F)F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13040426 YPKLELPILRESQX-UHFFFAOYSA-N 446.429 2.782 0 40 IFAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)nc2n1 13225754 AOOZIINSVDTSMJ-FOIQADDNSA-N 437.475 2.695 0 40 IFAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)cn2)cc1 13809125 IEWGRIPKILOWAB-UHFFFAOYSA-N 448.523 2.666 0 40 IFAB COc1ccc(F)cc1COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14246855 KFZYNOPDMQMXMQ-AWEZNQCLSA-N 432.473 2.739 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cn2cncn2)C1 19449305 QQHAADAYFHIURT-QHCPKHFHSA-N 437.569 2.993 0 40 IFAB C[C@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2)c1ccccc1 19459280 XIEYBRVGLVUATI-KKSFZXQISA-N 434.540 2.922 0 40 IFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 19708844 NKBADUOTELVJMJ-CQSZACIVSA-N 435.981 2.728 0 40 IFAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 20039248 UHXGIBBEADILSR-UHFFFAOYSA-N 441.347 2.900 0 40 IFAB COc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1Br 23012411 ISIOHYPOEKFIRB-UHFFFAOYSA-N 448.317 2.981 0 40 IFAB O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)[C@H]1C[C@H]1[N+](=O)[O-] 32932100 CWIGTCSJYJPOOI-DSAHDYDBSA-N 430.269 2.811 0 40 IFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(Br)o1 32999598 WZJQARPTTIVFOU-UHFFFAOYSA-N 436.262 2.958 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 34863740 JUWUVIGFQLFLKP-UHFFFAOYSA-N 443.504 2.932 0 40 IFAB CC(C)[C@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 35388170 TZBSHODOWADBFX-RDPSFJRHSA-N 437.540 2.573 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 44905674 OCFWRHYDASUPNW-BTYIYWSLSA-N 448.541 2.888 0 40 IFAB COc1cc(OC)c2[nH]c(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2c1 58153989 FNGRQPICSMPIPD-UHFFFAOYSA-N 440.475 2.721 0 40 IFAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2C1 58406797 BTCQWFSEEYQFFK-BRWVUGGUSA-N 445.585 2.528 0 40 IFAB COc1ncc(C2(O)CCN(C(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)CC2)c(OC)n1 72337543 UPJHZLRREYIASQ-AWEZNQCLSA-N 444.532 2.757 0 40 IFAB Cc1cc(C(=O)N2CCC(c3nc(N4CCCCC4)ncc3S(C)(=O)=O)CC2)c(C)[nH]1 72337664 CUKRHBBMZDDZMP-UHFFFAOYSA-N 445.589 2.835 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340240 FXGCNPNVFBQWKA-BZEMNPKYSA-N 442.556 2.809 0 40 IFAB Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 79108003 CQWSOESRHUBVQL-UHFFFAOYSA-N 447.742 2.717 0 40 IFAB Cc1ccc(NC(=O)CONC(=N)[C@H]2COCCN2C(=O)OC(C)(C)C)cc1Cl 95449565 NZVWKGWBBOUMCE-OAHLLOKOSA-N 426.901 2.721 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C(F)(F)F)c4)[C@@H]3C2=O)cc1 101166094 ALMQMZBYXATNAO-IRXDYDNUSA-N 447.373 2.646 0 40 IFAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(F)c(Cl)c4)[C@@H]3C2=O)cc1 101166646 XUUXEKPOFNZUBQ-ROUUACIJSA-N 429.839 2.973 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)Nc1ccc(Br)cc1 103085918 KTDATXQAWAQYOY-JKSUJKDBSA-N 446.236 2.520 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c(OC)c1 216436844 JASZJEWZLKJNBQ-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 223105541 NLSYXOMESWEQOU-UHFFFAOYSA-N 440.905 2.536 0 40 IFAB CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C[C@@]1(C)O 257222525 DTPJBKCHFNPUHR-ZGFBMJKBSA-N 439.556 2.670 0 40 IFAB Cc1cc(Cc2ccccc2F)cc([C@H]2CN(C(=O)Cn3nc(C)ccc3=O)CCO2)n1 257241670 HZAFPCPRWPBZAS-JOCHJYFZSA-N 436.487 2.585 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1NC(=O)c1ccccc1 408606432 LZRBECUQELUGAM-UHFFFAOYSA-N 445.522 2.696 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408668736 VJPQPUANZUZWIH-KHDMTIDOSA-N 426.513 2.841 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCOCC1 408693200 KIAHVDJMGIOLPX-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB Cc1ccccc1C1(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCOCC1 500868090 YHDKZFAUTQMVCV-UHFFFAOYSA-N 428.554 2.795 0 40 IFAB Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NCc1ccc(CN2CCCC2=O)cc1 511810531 YHITVDCBICCIRO-UHFFFAOYSA-N 445.523 2.512 0 40 IFAB CCOc1ccc(-c2noc(CS(=O)(=O)CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 514429567 NMUHUPIDHJCFNS-WXSAJPJJSA-N 447.557 2.991 0 40 IFAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 524011321 BDWIJPGFEPIQCF-QHCPKHFHSA-N 446.555 2.753 0 40 IFAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c1 585269693 HZIQAKAWJKLKPE-FQEVSTJZSA-N 428.529 2.568 0 40 IFAB Cc1c(Br)cnn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 2779255 YGXZOTWNWOIFBX-UHFFFAOYSA-N 436.335 2.683 0 40 IFAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 3365939 XRSSYSNTWKYIAL-UHFFFAOYSA-N 427.413 2.646 0 40 IFAB CC(C)CCNC(=O)[C@H](C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1 4161181 LGJLMNDEYHXHSP-INIZCTEOSA-N 430.528 2.801 0 40 IFAB CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(OC(F)(F)F)cc3)ccc(=O)n1C2 4237459 TXCJXEYQQQXSPN-GXTWGEPZSA-N 428.432 2.793 0 40 IFAB biogenic,in-vitro O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 8627052 VXISMRXAPRWJRY-MRXNPFEDSA-N 434.564 2.757 0 40 IFAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc(OC)c1OC 8884033 NNEFYICSZWEJSR-IBGZPJMESA-N 427.432 2.502 0 40 IFAB CNS(=O)(=O)c1ccc2nc(NC(=O)c3cncc(Br)c3)sc2c1 9010017 HZIFHZUBUZHVOU-UHFFFAOYSA-N 427.305 2.614 0 40 IFAB COc1ccc(C(=O)CSc2nnc(CC(=O)Nc3cccc(OC)c3)n2C)cc1 9262670 MCNXIDYDLRDPJI-UHFFFAOYSA-N 426.498 2.989 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1S(=O)(=O)N1CCCC1 9285878 XZDJEFQSFLROHQ-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)cc1 9308320 LRVIFVMVFGRBHO-XKXWHVAQSA-N 434.602 2.986 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O 9321150 OJJLCGLROYNVIZ-UHFFFAOYSA-N 446.463 2.987 0 40 IFAB COc1ccc2nc(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 9349371 BKAIISYWLDKSCX-INIZCTEOSA-N 445.566 2.880 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 9466589 QNVLYKJTTXFKLF-UHFFFAOYSA-N 445.523 2.937 0 40 IFAB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@H]1COc2ccccc2O1 9476836 FFSRDTVTDKNCCX-KRWDZBQOSA-N 437.496 2.992 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1 9743362 XOIYFVZVXQVLTB-LJQANCHMSA-N 435.590 2.575 0 40 IFAB COc1cccc(C(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 9797230 ZWVBMHFOXLOZNL-UHFFFAOYSA-N 446.463 2.616 0 40 IFAB COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1OC 9833239 PWOBWFHKKKSBMV-KEYYUXOJSA-N 430.404 2.869 0 40 IFAB CCCCn1c(=O)c(CCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9951437 SMAFQLJYIJGEHE-UHFFFAOYSA-N 430.508 2.880 0 40 IFAB COc1ccc(-c2cc(C(=O)NCc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11997002 QQCNIVYCBKHIHT-GOSISDBHSA-N 425.510 2.848 0 40 IFAB O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1 12697499 FDPNEGBOTDZPKO-QFIPXVFZSA-N 440.503 2.638 0 40 IFAB CC(=O)NCCCc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 12762697 XJICBTOLIVBXLQ-VWLOTQADSA-N 433.508 2.722 0 40 IFAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 12806514 FBSDJVUDUSCEKI-IBGZPJMESA-N 431.489 2.510 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3ccc4c(c3)OCCO4)CC2)cc1 12973062 MUCXCLADBSXWQO-UXBLZVDNSA-N 442.537 2.703 0 40 IFAB O=C(CN(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1 13501551 URDOPUDBPJKTRA-UHFFFAOYSA-N 426.498 2.800 0 40 IFAB O=C(CN1CCC(c2nc(-c3ccncc3)n[nH]2)CC1)N1CCN(c2ccccc2F)CC1 13565348 HXGNQAZSKLDGEM-UHFFFAOYSA-N 449.534 2.534 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 14198730 CFTOFXSYPXJCPC-MRXNPFEDSA-N 444.532 2.671 0 40 IFAB NC(=O)[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c2ccccc2O1 14240263 BDDQVYNHTWZPRI-OFNKIYASSA-N 433.533 2.975 0 40 IFAB COc1ccc(NC(=O)[C@H](C)OC(=O)CSC(=S)N2CCCC2)c([N+](=O)[O-])c1 15565592 QAOAAQUEURNEHZ-NSHDSACASA-N 427.504 2.588 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1=O 16046652 ZTVLEEGZZJGTES-SFHVURJKSA-N 436.512 2.815 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2cccs2)NC(=O)N[C@H]1c1ccco1 18171642 WATLQYMLKLUOGA-SFHVURJKSA-N 432.454 2.719 0 40 IFAB COc1cccc(-c2noc([C@@H]3CN(S(=O)(=O)c4ccc(F)c(F)c4)CCO3)n2)c1 19566798 AOBFKZLXPLFEPF-KRWDZBQOSA-N 437.424 2.786 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)c(C)n1 19704318 PTEFHDQOKFTSKE-HNNXBMFYSA-N 433.509 2.831 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@H]3CCCN(C(=O)CN4CCCC4)C3)nc2C)cc1 19765439 IAQIJZRHDBHPJD-SFHVURJKSA-N 437.544 2.848 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 20110468 LPYNIPDGYDKUFN-UHFFFAOYSA-N 438.502 2.660 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 21607025 SPWWHNZEMPDBSD-CYBMUJFWSA-N 447.285 2.993 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1Cl 22796404 LSYIJQYPSQGWLT-FQEVSTJZSA-N 432.927 2.831 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 22928931 WVTDJTXGNQEPDZ-LJQANCHMSA-N 426.536 2.876 0 40 IFAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3ccc[nH]c3=O)cc2Cl)c1 24969683 WLFGGJQKOIDYSR-UHFFFAOYSA-N 445.884 2.936 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 30498558 DGEMQQBCLVTIKE-UHFFFAOYSA-N 432.498 2.853 0 40 IFAB COc1ccc(C(=O)NCCc2csc(C)n2)cc1S(=O)(=O)N1CCCC[C@@H]1C 32905521 BUJPLFLADYEALA-AWEZNQCLSA-N 437.587 2.996 0 40 IFAB Cc1cc(Cl)cc2sc(N(C[C@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc12 38840634 HFUSPNIATVMDQW-CYBMUJFWSA-N 431.967 2.662 0 40 IFAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 40104497 RYTGADQRTKMXAL-APWZRJJASA-N 444.557 2.859 0 40 IFAB COC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318354 IRJDNGXKISATNW-JOCHJYFZSA-N 426.561 2.726 0 40 IFAB Cc1ccc(CN2CC(=O)N(c3ccc(Br)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 55408303 UQPUCUDBNQHASQ-RBUKOAKNSA-N 449.370 2.772 0 40 IFAB C[C@H](C(=O)NCCOc1ccc(-c2ccccn2)nn1)n1nc(-c2cccs2)ccc1=O 56908258 LRLDINZBMUCULJ-OAHLLOKOSA-N 448.508 2.580 0 40 IFAB Cc1c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)sc2nc3n(c(=O)c12)CCCCC3 61582936 JXPLSWRYPQLQGO-GFCCVEGCSA-N 428.480 2.859 0 40 IFAB O=C([C@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)N1CCCC1 65567856 ZCURKJCPCUUDHD-GFCCVEGCSA-N 426.894 2.627 0 40 IFAB CSc1ccc([C@H]2NC(=O)N(CC(=O)NCc3ccc(F)cc3)C3=C2C(=O)OC3)cc1 71326864 POFWVTZYCZVICQ-HXUWFJFHSA-N 441.484 2.741 0 40 IFAB COc1ccc(Cc2cccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)n2)cc1 72350345 KRNWPBZTDWJFCV-UHFFFAOYSA-N 426.542 2.983 0 40 IFAB COc1cccc2c1OC(=O)[C@@H]1[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H]2[C@H]34)[C@@H]1C(=O)O 100833381 LETQKJKEXLWDSX-FDTXDBCPSA-N 431.491 2.553 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1CC(F)(F)F 103148128 VNHZAVXFQQZYPJ-RRFJBIMHSA-N 442.434 2.957 0 40 IFAB CCOc1cccc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 113964897 NGBDQDDJUOEPTG-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219671086 IFLPIOOBZBELRN-KRWDZBQOSA-N 444.509 2.648 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222959308 COLNUGUNLZZJCV-NRFANRHFSA-N 445.585 2.641 0 40 IFAB CCc1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 224479171 RVURHDUCLAEQEQ-IBGZPJMESA-N 438.933 2.625 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc2c(c1)OCO2 224685701 RJBOGIMZTIBXCQ-UHFFFAOYSA-N 446.510 2.729 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cccc(C)c1C 225770367 HVTXUPDSDJKUEQ-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)cc1 248378747 KLOXZHXCWFWBAU-BPUGDSSMSA-N 443.503 2.937 0 40 IFAB CCc1ncnc(O[C@H]2CCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)c1F 253473285 TZUAUDRVYIXJLL-INIZCTEOSA-N 435.521 2.583 0 40 IFAB CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NCc4ccncc4)c(C)n3n2)C1 257227457 FPJZDLKMNBJOGM-LJQANCHMSA-N 434.544 2.716 0 40 IFAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)CC4(CC(=O)O)CCCC4)C3)c2n1 257317745 VKYJDFGJBWZRHF-DEOSSOPVSA-N 440.544 2.763 0 40 IFAB O=C(NCCc1ccccc1C(F)(F)F)NCC(=O)N1CCN(c2ccccc2)CC1 522227186 AJHMGYQLTUQBMK-UHFFFAOYSA-N 434.462 2.896 0 40 IFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)n1 585147380 UIRQPXFMCGYBAG-QGZVFWFLSA-N 445.470 2.684 0 40 IFAB COc1cccc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)NC(C)C)C[C@@H]2CO3)c1 1772594747 QYLPBENBIVFPBX-LJQANCHMSA-N 438.528 2.797 0 40 IFAB COc1ccc2nc(NC(=O)COc3ccc(C(=O)N4CCOCC4)cc3)sc2c1 1893315 RRFOPOMFUOOWJG-UHFFFAOYSA-N 427.482 2.795 0 40 IFAB O=C(COC(=O)COc1ccc(I)cc1)NCc1ccc(F)cc1 3300528 JTOTVVULKMDZLP-UHFFFAOYSA-N 443.212 2.669 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)Cn3nc(O)c4ccccc4c3=O)n2)c1 3397431 HLWACJVZBZVSOH-UHFFFAOYSA-N 438.465 2.882 0 40 IFAB CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)C(C)C 3928701 FXKFFTMLFPWYFH-RDGPPVDQSA-N 432.542 2.539 0 40 IFAB investigational CO[C@@H]1OC2=CC[C@H]3C(=O)NC(=O)[C@@H]3[C@H]2[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 8655852 CWAWZNHFJPDBBH-PPMKHBAOSA-N 449.503 2.953 0 40 IFAB C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9053606 LYMFNWDSFYKLDC-LSDHHAIUSA-N 448.570 2.823 0 40 IFAB COc1ccc(CN(C(=O)COc2c(C)cccc2C)[C@@H]2CCS(=O)(=O)C2)cc1OC 9190632 NUIIUJCDICIRJT-LJQANCHMSA-N 447.553 2.915 0 40 IFAB O=C(COc1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9507745 ADPLGARUVJDRHO-UHFFFAOYSA-N 426.494 2.878 0 40 IFAB O=C1C[C@@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)CN1Cc1ccccc1Cl 9516313 KABRWZZWTFDTBW-MRXNPFEDSA-N 431.945 2.735 0 40 IFAB O=C1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)CCN1 9516860 NCNRHPKAMMLPCH-QHCPKHFHSA-N 441.531 2.504 0 40 IFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCn1nnc2ccccc2c1=O 9662244 VHIPAENEEVBGCQ-UHFFFAOYSA-N 442.431 2.522 0 40 IFAB COc1ccc(Br)cc1Cn1nnc(C(=O)NCc2ccc(F)cc2)c1N 9749139 XMOOVLZVZDWTMN-UHFFFAOYSA-N 434.269 2.749 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc2c(c1)OCO2 9876744 AHVIBUQQKQHFIA-MRXNPFEDSA-N 445.541 2.659 0 40 IFAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(F)c(Cl)c4)[C@H]3C2=O)cc1 10272420 XUUXEKPOFNZUBQ-ZWKOTPCHSA-N 429.839 2.973 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCC(C)CC3)CC1)NC2=O 12086512 TVJMROGWNJMYBW-PFELUTMMSA-N 426.561 2.943 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)n1 12088636 ZSZKGQHNAHKKSW-LJQANCHMSA-N 426.484 2.843 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)CCC2 12758136 JVHQTCXUZSUBRD-OAQYLSRUSA-N 430.526 2.888 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 13568096 MZEFEMFZKIKAJB-HNNXBMFYSA-N 433.530 2.847 0 40 IFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CCC(C)CC1)S(C)(=O)=O 13612411 FNVJJYPWOPGJJD-MRXNPFEDSA-N 446.013 2.741 0 40 IFAB COc1cc(C(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)cc(OC)c1OC 13691046 PPSUMTHPDSGAEE-UHFFFAOYSA-N 440.500 2.684 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 14114214 ILEHBBBXRRHASH-UHFFFAOYSA-N 442.537 2.853 0 40 IFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 16046297 UYCYTFBXDAOCRI-JOCHJYFZSA-N 438.509 2.595 0 40 IFAB COc1cccc(C(=O)N2CC3(C)CN(C(=O)c4cccc(OC)c4)CC(C)(C2)C3=O)c1 16888944 UQFGTDFWKOPDGT-UHFFFAOYSA-N 436.508 2.897 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1ccc(N2CCOCC2)c2nonc12 17094835 AQSHUXMEBUYNTN-JGTCGTHISA-N 426.473 2.691 0 40 IFAB COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C(C)=O)CC2 19018934 DPDXTGHLROWTHM-HXUWFJFHSA-N 438.528 2.782 0 40 IFAB C[C@@H]1Cc2cc([C@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497853 FJAINDJNBOOAJE-OPAMFIHVSA-N 448.560 2.553 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)nc2c1CCN(C)C2 19708564 NOSPBMMRMZVIJP-QGZVFWFLSA-N 440.567 2.878 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 23143064 KNMHKORTPNMNFQ-UHFFFAOYSA-N 437.525 2.646 0 40 IFAB O=C(C[C@@H]1Oc2ccccc2NC1=O)OCc1nnc(-c2ccc(Br)o2)o1 23267878 NNSRHVCFNCJPJL-LBPRGKRZSA-N 434.202 2.925 0 40 IFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 24592926 OPALYRCAXPRTSU-KRWDZBQOSA-N 437.496 2.525 0 40 IFAB Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCc2ccc(Cl)cc2)c1 24605404 DNFVNYPCOWYMNO-IBGZPJMESA-N 436.961 2.540 0 40 IFAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 29193110 ARBMGMXKNALNAS-UHFFFAOYSA-N 449.536 2.606 0 40 IFAB Cc1ccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 32924119 WHDBJUXVYTZFDL-UHFFFAOYSA-N 441.347 2.573 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC 36589889 JUTSJPMJJCXQLC-DENIHFKCSA-N 434.496 2.860 0 40 IFAB biogenic CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38855672 NYMZKFFEFDGROB-QRWLVFNGSA-N 445.541 2.771 0 40 IFAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCS(=O)(=O)c1ccccc1 48275778 KSGRSNAZELXKQF-ZNKOEICNSA-N 446.613 2.934 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 48375022 MNYWZSXBBHNLQT-ROUUACIJSA-N 426.561 2.645 0 40 IFAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(-c4ccc(=O)[nH]n4)cc3)cn2)cc1 49343575 ZWLJCMYKXISTEG-UHFFFAOYSA-N 443.463 2.698 0 40 IFAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945298 ZUWJPPGPZGNSJL-HSZRJFAPSA-N 446.551 2.618 0 40 IFAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4nsnc4c3)cc2)CC1 57313299 QRCZJOJDPSVIHD-UHFFFAOYSA-N 426.571 2.960 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)cc1OC 57526153 VMYIPDJWWOBEHX-UHFFFAOYSA-N 439.512 2.543 0 40 IFAB CCN(CC)Cc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)CC)c1 58183233 PPMVFEMMWLYHKG-HSZRJFAPSA-N 443.613 2.921 0 40 IFAB O=C(NC1CCCC1)c1nnn(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)n1 71003568 DVFLAXDDEXEDDK-UHFFFAOYSA-N 446.920 2.789 0 40 IFAB CC[C@](C)(CCCNC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)C1OCCO1 72306335 XCQLMVTVWUWHAS-GHTZIAJQSA-N 444.569 2.814 0 40 IFAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1 72353924 XWCBYFGUHZEKEL-HSZRJFAPSA-N 434.584 2.884 0 40 IFAB CCOCCCn1c(=O)c2ccccc2n2c(SCCCc3cnn(C)c3)nnc12 78535262 OHYBBGDPNNZZDW-UHFFFAOYSA-N 426.546 2.929 0 40 IFAB Cc1cc([C@H](NCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 95462603 OQTSXKXUHFJUBJ-LVCYWYKZSA-N 442.647 2.846 0 40 IFAB O=C(NCCc1ccccc1)N1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145478 OUSJCVGGPWMBOK-DHIUTWEWSA-N 441.597 2.907 0 40 IFAB CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CCCC1)CC3 100243336 UWRLNEDXUYCUGR-IBGZPJMESA-N 425.533 2.973 0 40 IFAB CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 102855989 KBYNEFDHULKTTC-HMFRBIHASA-N 434.334 2.624 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(N2CCOCC2)cc1 216271980 BKMQOLLXQNMSKZ-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB CCN(c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1)S(=O)(=O)c1ccccc1 224363292 PRGXNIJXUZCMDQ-UHFFFAOYSA-N 430.526 2.927 0 40 IFAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 225594214 XDEYHKPBEOZKOG-QGZVFWFLSA-N 444.553 2.992 0 40 IFAB O=C(N1CCOC[C@H](Cc2cn3ccnc3cn2)C1)C(O)(c1ccccc1)c1ccccc1 257305869 SRWZRWNXXZEHGI-HXUWFJFHSA-N 442.519 2.683 0 40 IFAB Cc1cncc(C(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)c1 257309207 TZYQEZLGOAZHDD-YJBOKZPZSA-N 432.318 2.938 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 409209248 IIKSKTFPPLKNAG-MJGOQNOKSA-N 429.590 2.887 0 40 IFAB Cc1nn(-c2ccc(C(=O)N3CCc4nc(N)ncc4C3)cc2)c(C)c1Br 574378324 HGICOQMPPJDWJD-UHFFFAOYSA-N 427.306 2.822 0 40 IFAB CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)Oc2ccccc2F)CC1 1690853971 SCNYLQFPZPEVCM-QGZVFWFLSA-N 438.507 2.539 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1 861855 OSQZKPQOLBSKTH-JCAJYURWSA-N 448.500 2.527 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1 2108942 DOWVCTKRIAKAPM-ZDQHKECQSA-N 431.492 2.743 0 40 IFAB biogenic Cc1cc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C 2629894 XTLZEJNTWLSNKK-UHFFFAOYSA-N 449.500 2.812 0 40 IFAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2oc3ccccc3c2C)c(=O)[nH]c1=O 3345953 FRRQUAWDFXNBCC-UHFFFAOYSA-N 448.479 2.667 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(OC)cc2)s1 8587923 IWAQIFUSCRSYRI-UHFFFAOYSA-N 448.526 2.779 0 40 IFAB CCc1ccccc1-n1c(SCn2nnc3ccccc3c2=O)nnc1N1CCOCC1 8720346 LYLKYJWWGVATHR-UHFFFAOYSA-N 449.540 2.521 0 40 IFAB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCc2ccccc2C1 9263673 ZRSCTZQNJJDBQY-UHFFFAOYSA-N 439.516 2.812 0 40 IFAB O=C([C@@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)c2ccccc2O1)N1CCCCC1 9477134 MAUPVWCDCYOSSY-NRFANRHFSA-N 435.480 2.791 0 40 IFAB COCCCNC(=O)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC(C)C 9509536 IRPUINOXYHYSDE-UHFFFAOYSA-N 440.591 2.685 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCSCc1ccco1 9587051 IPKMROJBWLHZNF-INIZCTEOSA-N 446.591 2.868 0 40 IFAB COc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1S(N)(=O)=O 9632298 JMVUWJIQULEDFQ-UHFFFAOYSA-N 426.494 2.951 0 40 IFAB COc1ccc(CN2CCN(C(=O)COc3cc(Cl)ccc3C(=O)O)CC2)cc1OC 9634767 UPLIKVPNGLECJD-UHFFFAOYSA-N 448.903 2.779 0 40 IFAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 9755121 AFTBHERLKUESTK-AWEZNQCLSA-N 432.498 2.760 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 9866482 VPBKJZOIPUCKAE-JCQPUDPBSA-N 435.436 2.806 0 40 IFAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 10734024 JNFIJTYTEKFJSR-MRXNPFEDSA-N 431.510 2.698 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1 10762369 AQBMNYAFWAJQLQ-UHFFFAOYSA-N 449.960 2.797 0 40 IFAB O=C(CCC(=O)c1ccc(I)cc1)NCCc1nnc2ccccn12 11545454 JZMLYAKLMFSCKN-UHFFFAOYSA-N 448.264 2.656 0 40 IFAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694094 POBLBKSCOYXZDT-UHFFFAOYSA-N 441.871 2.796 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 12128232 OZMUGSBUGJNFKR-SFHVURJKSA-N 449.511 2.973 0 40 IFAB COc1ccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1Cn1ccnc1 12221402 HIXQQADOYZQCAG-UHFFFAOYSA-N 428.496 2.644 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2O)CC1 12561395 KOOIMAXUYBKQBS-UHFFFAOYSA-N 448.449 2.747 0 40 IFAB C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)NC(=O)c1ccccc1 12768606 MTLJJEMXCGLIBZ-KRWDZBQOSA-N 442.947 2.631 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 12812720 RBVGFUAQEJLMRZ-UHFFFAOYSA-N 444.553 2.729 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(Cl)cc1 12887603 GQOYTKCRNMDXPK-UHFFFAOYSA-N 433.961 2.774 0 40 IFAB CC(C)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 12947103 IGDFYCLNRVYFRT-UHFFFAOYSA-N 427.998 2.730 0 40 IFAB Cn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)nnc1-c1ccccc1 13416679 VUBPRPKXMWQFGA-SFHVURJKSA-N 435.509 2.868 0 40 IFAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 13536885 KQCJXOWIFYILBM-XRQRDNCTSA-N 438.094 2.848 0 40 IFAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3)cc1 13593658 OUHXOLIZGKGEMM-UHFFFAOYSA-N 445.541 2.740 0 40 IFAB O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 13799810 JBCZPWHTMNJUTE-UHFFFAOYSA-N 427.404 2.891 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)cc1 14244329 RMBVVXOYFJQFJD-UHFFFAOYSA-N 446.554 2.572 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1 15882168 LFJXEJIBYUYHOR-UHFFFAOYSA-N 444.488 2.929 0 40 IFAB CCN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)C[C@H]1COc2ccccc2O1 16628171 ZIKGILOTWXCUQG-ZDUSSCGKSA-N 429.498 2.742 0 40 IFAB O=C(c1cccnc1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)CC1 19372302 OIMWXVUVBCQNMC-UHFFFAOYSA-N 429.524 2.743 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)[C@@H]3CCOC3)C1)C[C@@H]2C(F)(F)F 19530918 AIAYQGPAGOSRFV-LUYZLQTOSA-N 444.454 2.623 0 40 IFAB Cc1n[nH]c(C)c1CC(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19578781 CKPFZZPIVBMNJR-NRFANRHFSA-N 446.486 2.954 0 40 IFAB CN1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)c2cccn2C)CC1 21153146 SBSUHOMAMMEYQM-SFHVURJKSA-N 425.360 2.816 0 40 IFAB Cc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)CCC(=O)O 23115089 MVTKDMIAKSAROU-IBGZPJMESA-N 429.498 2.909 0 40 IFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 25407376 HQFJQXMCDAKBOI-KHYOSLBOSA-N 425.520 2.723 0 40 IFAB Cc1cc(N2CCN(CC(=O)N[C@@H](c3ccccc3)c3nccn3C)CC2)nc(C(C)C)n1 28936224 FAGFXYIDMSAGCU-QHCPKHFHSA-N 447.587 2.670 0 40 IFAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 30947258 NKFWBUHPIWAVML-HXUWFJFHSA-N 445.560 2.571 0 40 IFAB Cc1nc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)sc1-c1nccn1C 32905579 YNDJZXLLPNPHEK-OAHLLOKOSA-N 433.559 2.794 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F 36593116 VOVOQNHZKKWNCL-DYVFJYSZSA-N 442.463 2.779 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCCN2CCCCCC2=O)cc1 36674322 WNPJXIZEIUIJLE-HXUWFJFHSA-N 437.606 2.597 0 40 IFAB C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H](C)O1 40145611 YCTQVVINJPXNKT-IRXDYDNUSA-N 447.557 2.926 0 40 IFAB Cc1nc(-c2ccc(N3CCN(C(=O)COc4cccc5c4OC(C)(C)C5)CC3)nc2)no1 42380534 UUMVXACXSXTZKH-UHFFFAOYSA-N 449.511 2.881 0 40 IFAB Cc1cccc(CSCCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44786507 BAPFPHJCQLUFBU-HXUWFJFHSA-N 434.583 2.962 0 40 IFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCSCc2ccccc2F)Oc2ccccc21 44909164 WRLXBLIZWHUSKL-IBGZPJMESA-N 438.546 2.792 0 40 IFAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1cccc(Br)c1 44922217 FAZPYKCNUMJPNT-UHFFFAOYSA-N 439.331 2.969 0 40 IFAB O=C(Nc1cccc(N2CCNC2=O)c1)c1sccc1S(=O)(=O)N1CCCCC1 48280308 WKIBUKXYPSYBNN-UHFFFAOYSA-N 434.543 2.705 0 40 IFAB O=C(Cn1c(=O)cnc2ccccc21)NC1(c2cccc(Br)c2)CCOCC1 48374479 KRYPMROPDDHLIE-UHFFFAOYSA-N 442.313 2.981 0 40 IFAB Cc1cccc(NC(=O)c2ccc3nn(CC(=O)N4CCc5ccccc5C4)c(=O)n3c2)c1 48986753 BJFAVBMKSGFHOH-UHFFFAOYSA-N 441.491 2.642 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)c(F)c1 57270731 WXTWGHIHQOPRPC-UHFFFAOYSA-N 427.476 2.950 0 40 IFAB O=C(NC1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1)c1ccccc1 58014401 SWIISZQUNHPCFG-HXUWFJFHSA-N 425.554 2.703 0 40 IFAB O=C(CSc1nc2ccccc2c2nnnn12)NCc1cccc(Br)c1 69982249 IMIRVPYKOTXOAV-UHFFFAOYSA-N 429.303 2.844 0 40 IFAB Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc(Nc2ncc(C)s2)n1 72382312 RMMLSNCOCIGETP-HNNXBMFYSA-N 447.590 2.670 0 40 IFAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 95357350 OEYPZYVAWVFZSC-UHFFFAOYSA-N 432.874 2.537 0 40 IFAB Cc1cccc(N2CCN(CCN(CC(=O)Nc3ccccc3C(N)=O)CC3CC3)CC2)c1 95456045 CTGBEMAWMGWCGB-UHFFFAOYSA-N 449.599 2.567 0 40 IFAB CC[C@H](OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(C)cc4C)C(=O)[C@H]13)O2)C(=O)NC(C)(C)C 100442923 PYTPVJGHIUBBRS-RSPJHRDISA-N 440.540 2.826 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4C)[C@H]3C2=O)cc1Cl 101170620 OFCXBSSECDPKIU-RBUKOAKNSA-N 441.875 2.897 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@@H]3C2=O)c1 101262239 PECZLSSFVGRJFR-OALUTQOASA-N 448.439 2.556 0 40 IFAB COc1cccc(N2CCN(C(=O)[C@@H]3C(=O)N(C)[C@]4(C)C[C@@H]3c3ccccc3O4)CC2)c1 101368218 UWDNVDPAGAVDFS-KJWPAHLWSA-N 435.524 2.715 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)c1 219252123 ZSNIQGCKRAUABU-UHFFFAOYSA-N 429.586 2.789 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccc(F)cc1F 220099000 ZRIOSNCQCIKGFE-UHFFFAOYSA-N 437.512 2.690 0 40 IFAB COc1ccc(CCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1OC 222552157 CTHXVIWQVSZERH-UHFFFAOYSA-N 434.558 2.917 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1OC 223583297 CZGYIEFXUBWXJQ-UHFFFAOYSA-N 449.485 2.592 0 40 IFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)s1 223863300 DIYLFNOERGIJHJ-UHFFFAOYSA-N 438.575 2.549 0 40 IFAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1C 224294665 YOVWYEPFGWOQOY-UHFFFAOYSA-N 448.541 2.604 0 40 IFAB O=C(Cc1noc2ccccc12)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543608 WRCXDIHOVCWLOG-UHFFFAOYSA-N 435.459 2.865 0 40 IFAB CC(C)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 225854623 LGQVRCKZNJRFNI-UHFFFAOYSA-N 442.588 2.559 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)cc1OC 226074551 BOPHVFXYHUTGEA-UHFFFAOYSA-N 436.505 2.907 0 40 IFAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1ccsc1 245225490 VZTKCKDLXAETPI-UZLBHIALSA-N 449.598 2.933 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](c2nc3ccc(-c4cccc(OC)c4OC)cn3n2)C1 306126424 DVEUAQKSYPYKJY-INIZCTEOSA-N 430.530 2.943 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408654928 GZZHJIRSSASQPW-GAMLAWPCSA-N 442.512 2.623 0 40 IFAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 408665110 UGCOYLUTOZJZQI-UHFFFAOYSA-N 426.425 2.576 0 40 IFAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 409390715 LFLHNMYQPAMUTB-UHFFFAOYSA-N 438.933 2.828 0 40 IFAB COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)nc2C)c1 409412886 ZWCPKZBWWOKIBF-NYSBEXSLSA-N 436.556 2.933 0 40 IFAB COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 585286759 IKVPBUCZTAXSRI-QHCPKHFHSA-N 440.531 2.834 0 40 IFAB COc1cc(CN2CC[C@H](NC(=O)c3cnnn3-c3ccccc3Cl)C2)cc(OC)c1 674812272 KBXAHSCSQDBTHW-INIZCTEOSA-N 441.919 2.942 0 40 IFAB COc1ccc(N2C[C@]3(COCCN(C(=O)c4cccc(Cl)c4)C3)OCC2=O)cc1 2055798676 XIYVDVVZYDYVFU-JOCHJYFZSA-N 430.888 2.623 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)cc1 938920 GTIKKSRNHJLPNL-UHFFFAOYSA-N 427.486 2.575 0 40 IFAB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O 2437428 LRHWXLHDLZFPIW-NBGIEHNGSA-N 432.524 2.801 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)Nc1ccc(Br)cc1 2787180 KTDATXQAWAQYOY-HZPDHXFCSA-N 446.236 2.520 0 40 IFAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1Cc1ccco1 9156925 GBUKXXGZCWQQNA-UHFFFAOYSA-N 425.876 2.602 0 40 IFAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1nncs1 9303526 UPCVNICMVIEAEQ-UHFFFAOYSA-N 431.547 2.678 0 40 IFAB CC(C)OCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl 9425126 BHDNFSYETVDVMH-UHFFFAOYSA-N 437.903 2.502 0 40 IFAB Cc1cc(C)cc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9742979 CWKWBMWYPADCOM-FQEVSTJZSA-N 443.569 2.992 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 9782586 MSIPKNJNYKSQRU-OAQYLSRUSA-N 431.395 2.547 0 40 IFAB O=C(c1cc2ccccc2o1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851822 GYWACCBNFZUJKT-UHFFFAOYSA-N 439.479 2.978 0 40 IFAB COc1ccc(F)cc1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 11689616 PDWFZSMQGVHMKQ-UHFFFAOYSA-N 448.472 2.800 0 40 IFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 12875961 BBLDOVQOISIMDX-MRXNPFEDSA-N 430.526 2.736 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2=O)cc1F 12919502 VHLMGWIXUUURSM-FQEVSTJZSA-N 425.504 2.636 0 40 IFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nn3cnnc3s2)c1 13145996 UIRXBNCOCSEUAK-LBPRGKRZSA-N 440.510 2.578 0 40 IFAB Cc1ccc(CNCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1 14359640 PCJUGZSYVHFZBM-UHFFFAOYSA-N 428.558 2.974 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1 15977047 OARWSOPWRIPNMU-UHFFFAOYSA-N 442.459 2.965 0 40 IFAB COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)ccc1OCC(C)C 16732760 AEFIHNFVLKZOBX-BKUYFWCQSA-N 449.532 2.693 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 16740355 ZLIBWUJRVBPQGB-UHFFFAOYSA-N 427.448 2.894 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2n[nH]c(O)n2)C1 19449334 LHXBRKUGIFODAA-QFIPXVFZSA-N 439.541 2.838 0 40 IFAB Cn1nccc1CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19696687 ODOXMBUGTQUKSL-GOSISDBHSA-N 426.542 2.681 0 40 IFAB COc1ccc(OC)c(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c1 22913960 AXCJQXATLIOGDW-UHFFFAOYSA-N 428.920 2.912 0 40 IFAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cc1 23107633 OBZUKWBATPPPST-DEOSSOPVSA-N 447.535 2.654 0 40 IFAB CCC[C@H](C)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@@H]1CCCO1 24959403 BOPQELSVVLSOTB-HOCLYGCPSA-N 447.557 2.759 0 40 IFAB COc1ncccc1CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 30304833 MTIWLUKTJWYSCA-UHFFFAOYSA-N 432.274 2.545 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCc4ccccc4C3)C2)s1 31339747 LZMIDOVCSOEZPP-HXUWFJFHSA-N 447.626 2.632 0 40 IFAB CCOC(=O)CN(CC(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 32915659 NYRYRODACLMJQD-MRXNPFEDSA-N 444.981 2.788 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)CC1 34857984 YCSBYLLTABVKPF-UHFFFAOYSA-N 430.299 2.712 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 35392578 XPWONNVYLBVFEH-UHFFFAOYSA-N 448.567 2.701 0 40 IFAB Cc1ccc(-c2csc(SCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)n2)cc1 35413552 KBRIPABYPMWXHD-UHFFFAOYSA-N 444.626 2.977 0 40 IFAB Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(Cc3ccco3)CC2)c2c(C)nn(C)c2n1 36612075 KVRQWZHQBRWXKP-UHFFFAOYSA-N 447.543 2.845 0 40 IFAB COc1ccc(-c2nc(CN3CCN(C(=O)CCCn4cncn4)CC3)cs2)cc1 40145220 GRYPTDSOLLMWSK-UHFFFAOYSA-N 426.546 2.535 0 40 IFAB COc1cccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1 49411500 WRWMYOARWBSKPA-UHFFFAOYSA-N 442.472 2.968 0 40 IFAB CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 57738403 PLYIDAGUNBEPRI-WOJBJXKFSA-N 434.945 2.753 0 40 IFAB COc1cccc(OC)c1Oc1ccc(CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cn1 58161372 WQVKZILIQAXPFG-CQSZACIVSA-N 430.505 2.994 0 40 IFAB CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CSc1ccc2c(c1)OCCO2 58229457 SGZZUVKLJNPPMB-KRWDZBQOSA-N 436.574 2.816 0 40 IFAB CN1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@H](CNC(=O)OC(C)(C)C)C1 84240570 LYLBQDUECCZNHT-CQSZACIVSA-N 444.345 2.798 0 40 IFAB COc1cc(CNc2cccc(N3CCOC3=O)c2)ccc1OCC(=O)N1CCOCC1 89429165 KGXKBVITUQCKMI-UHFFFAOYSA-N 441.484 2.502 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3ccc4c(c3)OCO4)n(C)n2)c1 90612580 CQAZDMGEJQXXEZ-LJQANCHMSA-N 439.468 2.687 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 100395410 NQAKXRMWKLZAAY-KKFZBWNWSA-N 432.398 2.795 0 40 IFAB Cc1cc(C)nc(N2CCN(CCCCN3C(=O)[C@H]4CC[C@](C)(C3=O)C4(C)C)CC2)n1 100670972 HRJSJJLFINLRSD-NTKDMRAZSA-N 427.593 2.807 0 40 IFAB C[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220463359 SFTLIJGUBGSQKX-SNVBAGLBSA-N 442.469 2.547 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224106311 DOGTZJWSLZRGIM-HXUWFJFHSA-N 445.585 2.705 0 40 IFAB O=C1COc2ccccc2C/C=C/C[C@H]2CN(C(=O)c3cc4c(nc3O)CCC4)CC[C@H]2N1 257211841 CARREDAFBPPCPX-TYJQGOJTSA-N 447.535 2.804 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1c2ccccc2C[C@@H]1C 260845665 VREOPXDOHITAJZ-ROUUACIJSA-N 445.585 2.807 0 40 IFAB Cc1cccc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@H]3C2)c1 306143252 XXCLNCGGWFMQGK-SFTDATJTSA-N 436.537 2.621 0 40 IFAB Cc1cc(C)cc(CN2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(C(=O)NC(C)C)C2)c1 306144855 ZQHAXDNWMBJMIG-SANMLTNESA-N 449.599 2.884 0 40 IFAB COc1ccc(C)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 409154346 GVYKEPWJCXQUQP-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1 409212034 PGCRLMRAQRWKKP-YVLHZVERSA-N 434.514 2.920 0 40 IFAB O[C@@H](CN=c1[nH]c(=NC[C@H](O)Cc2ccccc2)c2ccccc2[nH]1)Cc1ccccc1 511459936 HACPVMVSBJPQJE-FGZHOGPDSA-N 428.536 2.505 0 40 IFAB Cc1ccccc1[C@H](CC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)NC(N)=O 536277725 INMVVAMWEWFIAL-PKOBYXMFSA-N 448.445 2.813 0 40 IFAB C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H]4Cc5cc(F)ccc5O4)CC3)cc2NC1=O 607112208 DDKGWXWMIGCSQU-ASSNKEHSSA-N 438.455 2.970 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)cc1 618255259 OLGJKVUAZLTWPZ-HNNXBMFYSA-N 428.470 2.650 0 40 IFAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1c2c(nc3ccccc13)CCCC2 3215890 LWXUQMOJZYIGHY-UHFFFAOYSA-N 447.491 2.848 0 40 IFAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)CCC(=O)c2cccs2)n1 3256349 VPECLPRIEROURB-UHFFFAOYSA-N 427.486 2.794 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 3373226 RKXXCDOBXWKQCP-UHFFFAOYSA-N 434.404 2.880 0 40 IFAB COCCOC(=O)c1c(NC(=O)CNc2ccc(Cl)cc2F)sc(C(N)=O)c1C 3437874 SQINVJQXEPMCKK-UHFFFAOYSA-N 443.884 2.802 0 40 IFAB COC(=O)[C@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O 4108344 LNRRHEGBTGNKRX-JCUDRXCFSA-N 426.465 2.651 0 40 IFAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1 6631761 SNSRMTHGHLJXFL-HNNXBMFYSA-N 429.546 2.617 0 40 IFAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 8917061 OWQGUVWYYAEYSY-FOIQADDNSA-N 439.489 2.924 0 40 IFAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 8930036 CDVKZCIGDTXRMI-UHFFFAOYSA-N 446.525 2.699 0 40 IFAB Cc1nn2c(=O)[nH]c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1-c1ccccc1 9107484 HUHKEFZOPUEEPD-UHFFFAOYSA-N 449.492 2.895 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2oc3ccccc3c21)NCc1ccccc1 9116518 ULCFAFQJXSQKQA-UHFFFAOYSA-N 429.432 2.867 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 9125711 LYCOPZJHXARMFJ-UHFFFAOYSA-N 448.497 2.543 0 40 IFAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 9355818 ALQRAJVYSSRYFQ-GOSISDBHSA-N 430.526 2.539 0 40 IFAB CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(C)(=O)=O 9615241 KQXHVVIHYJHZEK-UHFFFAOYSA-N 438.509 2.660 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 9633446 ROSDXDNODDRMFP-UHFFFAOYSA-N 434.514 2.552 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1O 9763411 CCISJQVCKYQUGV-BJMVGYQFSA-N 449.222 2.516 0 40 IFAB CC(C)[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 9793394 YCJVDJOMWYUMRJ-OAQYLSRUSA-N 447.557 2.905 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@H](c2ccccc2Cl)n2nnnc2N1 10232284 YPRUKJVRRCNVJO-KRWDZBQOSA-N 425.832 2.660 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)c1 12604523 JRMKHTOXHSPRRD-UHFFFAOYSA-N 445.585 2.945 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3OC)n2N)c1C 13041886 FONFBJLUKSSPPI-UHFFFAOYSA-N 429.502 2.764 0 40 IFAB CCn1nnc2cc(C(=O)N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)ccc21 13075541 IUOQDQUSJPATIJ-UHFFFAOYSA-N 441.557 2.523 0 40 IFAB O=c1c(Cl)c(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cnn1-c1ccccc1 13117442 XZBHMZJAEVNCNT-UHFFFAOYSA-N 438.875 2.851 0 40 IFAB COc1cccc(CCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 13647212 IMXVFDKSYSMULD-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 14116498 UVSYSZJTESFEBM-IBGZPJMESA-N 428.905 2.875 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3ccc(Br)cc3)C2=O)cc1 14167094 QOJUCBGVWNIPGE-UZLBHIALSA-N 433.302 2.964 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 16006748 RVSWULHQRRABIR-DYESRHJHSA-N 440.993 2.894 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 16522049 YNWNEKYQPSXEOY-UHFFFAOYSA-N 426.897 2.852 0 40 IFAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)cc2)c1C 17098399 SNRYLPODDSFWEC-GFOFROLCSA-N 433.486 2.778 0 40 IFAB COc1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)nc(OC)n1 19550351 NAAXUBFEPTYJBD-UHFFFAOYSA-N 448.458 2.988 0 40 IFAB COc1ncc(CN2CCC[C@H]([C@H]3[C@H](C(=O)Nc4ccccc4OC)CCN3C)C2)cn1 19590208 PVKJKGRJHUIIHO-JQVVWYNYSA-N 439.560 2.665 0 40 IFAB O=C(CCN1CCC([C@@H]2CC=CCN(CCc3ccccc3)C2=O)CC1)N1CCOCC1 19698374 GKGQNEDUFXQACB-DEOSSOPVSA-N 439.600 2.595 0 40 IFAB O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)NCCc1ccccc1 20716089 NXYVZTYGPOHMHG-UHFFFAOYSA-N 432.524 2.591 0 40 IFAB COc1cc(C(=O)N[C@@H](C)C(=O)NCC2(N(C)C)CCCCCC2)cc(OC)c1OC 21200303 MPIXSNKPEDIXKW-INIZCTEOSA-N 435.565 2.602 0 40 IFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 23078588 BQPONQOFTKTVRG-YJBOKZPZSA-N 429.464 2.935 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2cnc3c([nH]c4ccc(C)cc43)c2=O)CC1 23125578 MAKXQCIDFYOQEZ-UHFFFAOYSA-N 431.496 2.544 0 40 IFAB CCn1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc21 24980778 UWLAWJHDJVUJEZ-UHFFFAOYSA-N 427.526 2.612 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 25284494 YKRZRAIYORFYJQ-NRFANRHFSA-N 439.537 2.749 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(C)c1 28207767 ANWQYAAKLLOFQB-UHFFFAOYSA-N 445.585 2.753 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cccc(C(F)(F)F)c1 30063985 NYNWMGVTBCJHSG-UHFFFAOYSA-N 428.432 2.924 0 40 IFAB O=C(Nc1ccccc1)[C@H]1O[C@H](CCN2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1O 30879031 NWPDKQNWVCJBAI-VABKMULXSA-N 427.520 2.885 0 40 IFAB biogenic,in-vitro COC(=O)c1c(SCC(=O)Nc2ccc(Br)cc2C)nc(=O)[nH]c1C 31618018 WGYJGPUVQNPYCJ-UHFFFAOYSA-N 426.292 2.667 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@@H](C)[C@@H]4[C@]34C=C[C@H]2O4)c1 35485212 SOLPERFSTZHDQZ-OFFDKFHBSA-N 448.475 2.728 0 40 IFAB biogenic CCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3OC)nnc12 35528673 ZZTPWUBDDRDLGE-UHFFFAOYSA-N 425.514 2.773 0 40 IFAB CCCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945720 CJIMUBCATDWCFJ-FQEVSTJZSA-N 430.524 2.705 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)C1 57485987 ZFTIXAMOMNXQLC-GJZGRUSLSA-N 429.517 2.917 0 40 IFAB Cc1cccn2cc(-c3ccc(NC(=O)N4CCC[C@@H](NS(C)(=O)=O)C4)cc3)nc12 58157739 AGEIWEQHWAJZTC-GOSISDBHSA-N 427.530 2.855 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)c(C)s1 58326537 ZVVHOPDEGQHVQB-NRFANRHFSA-N 427.482 2.971 0 40 IFAB Cc1nc2ccc(C(=O)N(C)Cc3nc([C@@H]4CC(=O)N(C)C4)cc(N(C)C)n3)cc2s1 72352038 GKAWFFPVINWGKG-OAHLLOKOSA-N 438.557 2.679 0 40 IFAB O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCc2ccccc21 78815264 QYRBYQTXVZGUOE-OAQYLSRUSA-N 428.492 2.916 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 79098561 GCHTWIYCYACSIH-MOPGFXCFSA-N 438.613 2.521 0 40 IFAB Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1S(=O)(=O)NCc1ccccc1 95466515 FXRJAIMDHMSBDZ-TZIWHRDSSA-N 427.570 2.640 0 40 IFAB Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C[C@H]1CC[C@H](c2ccc(F)cc2)S1 95933651 PMSYXEXASXYPSH-AAALWKFZSA-N 448.556 2.828 0 40 IFAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 95977075 KVNGRHHNVFJKLB-KRWDZBQOSA-N 428.533 2.871 0 40 IFAB O=C(NC1CCCC1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1cccnc1 96143116 RDIICHIQVDSOAP-QFIPXVFZSA-N 426.542 2.839 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 108825489 MAKXRHGKYHEXQX-UMMOHRENSA-N 435.471 2.996 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCOc1ccc(C)cc1)=C2C 219191565 HYYVDIZSNDTWHP-UHFFFAOYSA-N 446.525 2.718 0 40 IFAB COc1cccc(-c2noc(CN(C)C(=O)c3cccc(N(C)S(C)(=O)=O)c3C)n2)c1 222445003 IRKNDAQVBKXNIC-UHFFFAOYSA-N 444.513 2.722 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)ccc1OC 224153727 RGSVIWURLUOWBW-UHFFFAOYSA-N 426.922 2.764 0 40 IFAB CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)s1 224415213 LCBKUKHHQCDDJF-GFCCVEGCSA-N 442.588 2.698 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224904057 ZQDXWMFCQSKARL-HNNXBMFYSA-N 434.514 2.848 0 40 IFAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cn2cncn2)CC1 257289677 PZSWWCOZJWHQRI-UHFFFAOYSA-N 431.540 2.933 0 40 IFAB O=S1(=O)c2ccccc2O[C@@]2(CCN(Cc3cccnc3)C2)CN1Cc1ccccn1 306145127 ZZAPPYLXEBGOSY-HSZRJFAPSA-N 436.537 2.705 0 40 IFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Br)cc1Cl 408668359 WJNLZNHXVPXIKU-GKAQULHVSA-N 428.666 2.782 0 40 IFAB COC(=O)C(=Cc1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(OC)c1)C(=O)OC 409073905 NYENAGDIEAZGMK-UHFFFAOYSA-N 440.857 2.846 0 40 IFAB CCOc1ccc(-c2noc(CS(=O)(=O)CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 514429568 NMUHUPIDHJCFNS-YEWFCNIMSA-N 447.557 2.991 0 40 IFAB COCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)COC)c2ccc(F)cc2C1 643573267 XEFYTYLUBGTAIW-UHFFFAOYSA-N 437.556 2.532 0 40 IFAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888879426 RNTCBAWSVARARM-GASCZTMLSA-N 448.495 2.559 0 40 IFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1 2376809 QQVODUCSMVTXFW-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB O=C(CSc1nnc(NCc2ccccc2)s1)N1CCN(C(=O)c2ccco2)CC1 3297156 QBEIYCJAPYZOQW-UHFFFAOYSA-N 443.554 2.820 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NCc1ccccc1 3371986 VHWMLHLMENCBBW-UHFFFAOYSA-N 428.444 2.956 0 40 IFAB COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 3415365 IJBIMEFHQFNRNJ-MDZDMXLPSA-N 429.425 2.694 0 40 IFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3534275 CFKXLFQJDPRJOI-DEOSSOPVSA-N 432.480 2.534 0 40 IFAB O=c1c2ccccc2nnn1CSc1nnc(CN2CCCC2)n1Cc1ccccc1 9126498 UQRDSVFJMUJVJN-UHFFFAOYSA-N 433.541 2.777 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 9608497 ATAILWRYOSXJJM-IZHWHUGBSA-N 435.480 2.593 0 40 IFAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2n1 9647348 VXFHPEZEGSNUKO-DOTOQJQBSA-N 444.582 2.797 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F 9743222 KOVDODCWZIEUOP-INIZCTEOSA-N 433.505 2.514 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 9783729 SYQVUXSGCNGAQX-UHFFFAOYSA-N 442.516 2.857 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 9818307 WPLDLABBWSEUBU-UHFFFAOYSA-N 443.554 2.582 0 40 IFAB Cc1ccc(NC(=O)NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(C)c1 11137733 PFPUYDYAOGZUDH-UHFFFAOYSA-N 440.452 2.929 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)c1 12197459 ZTFNHTQMGXIWBS-KRWDZBQOSA-N 434.514 2.548 0 40 IFAB O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12429185 HPXQCPYMVGVHDL-UHFFFAOYSA-N 436.365 2.983 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12769753 QSJQKFPFJALBCS-UHFFFAOYSA-N 431.464 2.968 0 40 IFAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)c1ccc(C)c(C)c1 13227141 YPTKYUYMGDMDGC-UHFFFAOYSA-N 433.443 2.628 0 40 IFAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 13692330 XVEUBSIQROLBBH-CVDCTZTESA-N 438.505 2.702 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)cc1 13992406 MDAFYYXTWKZXSZ-UHFFFAOYSA-N 443.503 2.731 0 40 IFAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 15203097 FMEBXZUJKWEGEN-AWEZNQCLSA-N 442.497 2.502 0 40 IFAB CCSc1nnc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)s1 16981232 MSOGEGXOZZJOAR-UHFFFAOYSA-N 433.563 2.724 0 40 IFAB Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)n1 19290947 SARGAIBKBSJJMC-OAQYLSRUSA-N 438.576 2.809 0 40 IFAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CN(C)CC2 19710584 KAXWDRCJFVKRBB-OAHLLOKOSA-N 433.553 2.522 0 40 IFAB Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)nc2c1CCC(=O)N2C1CCCC1 19739529 LOHKMGHMKFEFIR-UHFFFAOYSA-N 425.577 2.809 0 40 IFAB CNC(=O)c1cc([C@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)CCO2)nc2ccccc12 19762134 QQLODOLVQAGXDH-JOCHJYFZSA-N 445.523 2.803 0 40 IFAB CCS(=O)(=O)c1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 21693619 VWJFPPFFDCNSNV-UHFFFAOYSA-N 430.507 2.781 0 40 IFAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 22332614 FLQPIAYUVZWLQF-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 22805415 RRIJNSRVHZMLMJ-OAQYLSRUSA-N 436.581 2.730 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1 23875209 IFZPTAWDKQSRJU-UHFFFAOYSA-N 442.512 2.978 0 40 IFAB CS(=O)(=O)N1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 29825522 HJKRWECIDPDOSS-OAQYLSRUSA-N 426.542 2.534 0 40 IFAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NC[C@H]4COc5ccccc5O4)c(=O)c23)C1 32736385 WXYDNHADYYXZDK-KGLIPLIRSA-N 425.510 2.539 0 40 IFAB CC(C)NC(=O)NCc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc23)cc1 32741854 SKWNMXMZKYMEHG-UHFFFAOYSA-N 427.486 2.694 0 40 IFAB COC(=O)c1ccc(CNC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 32893340 WGWJECNNTLZYAY-UHFFFAOYSA-N 440.525 2.643 0 40 IFAB O=C(CCCCCn1cnc2ccccc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33523648 QFISFBLKURJDBK-MOPGFXCFSA-N 432.524 2.765 0 40 IFAB biogenic Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1nc(-c2cccnc2)cs1 38531217 GNSJTNPQOWSZCQ-HNNXBMFYSA-N 431.543 2.559 0 40 IFAB CCOC(=O)COc1ccc([C@H](C)NC(=O)NCc2ccc3c(c2)OCO3)cc1OC 40149979 LUPLFKBVDGSXLW-AWEZNQCLSA-N 430.457 2.926 0 40 IFAB COC(=O)c1ccc(Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)o1 49006631 DSICMPDANRYBAD-UHFFFAOYSA-N 435.371 2.780 0 40 IFAB COc1cccc([C@H](CNC(=O)Nc2cccc(-n3nnnc3SC)c2)N(C)C)c1 58086301 BVDWZIZEMUNVPR-SFHVURJKSA-N 427.534 2.817 0 40 IFAB CCc1ccc(-n2c(O)nc3nc(N4CCC(N5CCCCC5)CC4)ncc3c2=O)cc1 67264242 RXBMBWHKTBYKRN-UHFFFAOYSA-N 434.544 2.898 0 40 IFAB COc1cc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)ccc1NC(=O)OC(C)(C)C 71808630 XBCDQPHAPWJSEG-AWEZNQCLSA-N 442.538 2.588 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)CC(C)(C)C)CC2)n1 72341539 XULAMMRFKMMZNS-QGZVFWFLSA-N 431.581 2.623 0 40 IFAB CC(=O)Nc1ccc(N(C[C@@H](O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117127 PEIWNAUATISMLL-QFIPXVFZSA-N 445.585 2.996 0 40 IFAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 96098366 DLVRMGDDERHUET-YWZLYKJASA-N 440.587 2.672 0 40 IFAB CN(C)c1ncc(-c2cc(C(=O)N3CCN(c4ccncc4)CC3)n(CC3CC3)c2)cn1 96147681 ZOOYRGUMTFZNGZ-UHFFFAOYSA-N 431.544 2.779 0 40 IFAB COc1ccc(C[C@@H]2CC[C@H](CCC(=O)N[C@@H]3CN4[C@@H]3SC(C)(C)[C@H]4C(=O)O)O2)cc1 253388547 VDDXUGGVJSQYDR-XOPFUANDSA-N 448.585 2.671 0 40 IFAB biogenic Cc1cc(C(=O)N2CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C2)nc(N2CCCCC2)n1 257237941 HIXJCJUCHYJPOL-KRWDZBQOSA-N 432.532 2.772 0 40 IFAB CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1cccc(OCc2cscn2)c1 521846280 YTKXPRMXALIYND-IBGZPJMESA-N 435.513 2.949 0 40 IFAB Cc1c(Cl)cccc1NCC(=O)N1C[C@H](CC(N)=O)[C@H](OC(=O)c2ccccc2)C1 643587107 VGHZJELQHCDLPR-QFBILLFUSA-N 429.904 2.620 0 40 IFAB CCNS(=O)(=O)c1ccc(CNc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 1559132724 BTYOQXSKBLQEOZ-UHFFFAOYSA-N 426.477 2.841 0 40 IFAB CN(C)C(=O)CN1Cc2ccccc2CC2(CCN(c3ncc4ccccc4n3)CC2)C1=O 1565552135 LRYQIDRJDNJZMU-UHFFFAOYSA-N 443.551 2.890 0 40 IFAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1cccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1 3146588 LQPDWVOTLKCWIT-UHFFFAOYSA-N 436.376 2.999 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 3208304 PJCMRFXCYWJYFV-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)Cc1cccc(OC)c1OC)n2CCC 3440297 HCLZJBDRLCZXJW-UHFFFAOYSA-N 443.548 2.746 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN(C)C)cc2c1 6196662 HMAVXJBOVUIVHG-HXUWFJFHSA-N 446.617 2.734 0 40 IFAB CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 8755085 OVXPMQPFOLPDLZ-UHFFFAOYSA-N 441.575 2.556 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C 8824376 LMWRDWIXCZKOPE-LBPRGKRZSA-N 442.390 2.803 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@H]4C2=O)cc1 8879493 NKGOUZCCDHHQKG-ZGDJDIHISA-N 436.464 2.638 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)cc1C 9119120 WTDXUNRJHCEERI-UHFFFAOYSA-N 430.501 2.964 0 40 IFAB CCn1c(COC(=O)Cc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 9224118 SRCZDGWPVRESDB-UHFFFAOYSA-N 431.514 2.601 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc3c(c2)OCO3)c1 9224342 NUTOOWXIICSNPM-UHFFFAOYSA-N 431.514 2.908 0 40 IFAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9338324 LMEABVSBXRLSRK-XNTDXEJSSA-N 442.566 2.800 0 40 IFAB NC(=O)c1nn(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c(=O)c2ccccc12 9712052 VRLQLRXZGWSSLW-QGZVFWFLSA-N 447.520 2.859 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2C)cc1 9745332 MOJIFXDDTYKEOT-LJQANCHMSA-N 443.569 2.992 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(OC)cc2)[C@@H](c2ccc(Cl)cc2)n2nnnc2N1 10231869 KRQQRFYFQCUUOV-QGZVFWFLSA-N 425.832 2.660 0 40 IFAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)N1CCc2ccccc21 10255499 PCQGDJPXQPJREO-KRWDZBQOSA-N 425.554 2.983 0 40 IFAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(OC(F)F)cc1 10446543 PKAKGIMXMKKIER-UHFFFAOYSA-N 431.439 2.895 0 40 IFAB COc1cccc(OC)c1CN1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 12219497 WDGDYQNUFIUMRY-SFHVURJKSA-N 437.544 2.964 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)cc2)c2c(C(N)=O)nc(-c3ccc(OC)cc3)nc21 12276799 ZFRXLMKMCOAMLX-UHFFFAOYSA-N 445.479 2.579 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)NC[C@H](O)c3ccccc3)cc2)cc1 12407984 KSVDHVREGUNXND-QFIPXVFZSA-N 440.521 2.637 0 40 IFAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1Br 12521382 FPZXQQMPWDSBIS-UHFFFAOYSA-N 427.320 2.935 0 40 IFAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCc2sccc2[C@@H]1c1ccccc1 12647780 QEASGQKVSYEUPW-FQEVSTJZSA-N 425.535 2.720 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)[C@@H]4C2=O)c1 12880486 HDJFCOMZLLMTGQ-LUWAJBPDSA-N 438.524 2.580 0 40 IFAB CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 12990065 PVNQOZMOEZTTLY-UHFFFAOYSA-N 444.601 2.721 0 40 IFAB O=C(NCCNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1ccccc1 13014594 HLFPXKDSYQFNRN-UHFFFAOYSA-N 427.460 2.643 0 40 IFAB CCCn1c(N)c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(=O)n(C)c1=O 13121140 DXZCMNFOUYORTF-UHFFFAOYSA-N 425.514 2.678 0 40 IFAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H](CO)c3ccccc3)CC2)cc1 13734467 ZGFFZQYJKHFUMH-FQVRHNBASA-N 446.569 2.630 0 40 IFAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OC 16688300 ACNNVVKMBZWGMP-UHFFFAOYSA-N 443.363 2.836 0 40 IFAB NC(=O)C1CCN(c2ccc3cccc(OCC(=O)NCc4ccc(F)cc4)c3n2)CC1 17170516 RKWQADAQBOFIFS-UHFFFAOYSA-N 436.487 2.771 0 40 IFAB O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19293718 IUCSBGIFYVGUEQ-JOCHJYFZSA-N 447.514 2.769 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2cccnc2)CCO1 19591844 YYCVWFVTEPCLBQ-XMMPIXPASA-N 435.549 2.939 0 40 IFAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 19753608 GNKOVMAHHQSUMU-GOSISDBHSA-N 429.908 2.880 0 40 IFAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22394214 JBQLMWDRILPXCV-UHFFFAOYSA-N 447.557 2.591 0 40 IFAB CCc1c(C)sc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1C(N)=O 22587119 DZLMGHIHGMIRGI-JXMROGBWSA-N 426.586 2.987 0 40 IFAB Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c2ccccc2n1 22766332 CPAZGKLGQUHPGE-OAQYLSRUSA-N 437.569 2.648 0 40 IFAB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)o1 23805729 AZQXKIVJJHKUQN-INIZCTEOSA-N 429.336 2.702 0 40 IFAB C[C@@H]1CN(c2ccc(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)cn2)C[C@@H](C)O1 24670463 JSNMWVGMJWYROF-HLIPFELVSA-N 440.569 2.527 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)CC2)cc1 35897742 KVCADAZCZCTMCC-JYRKZWEQSA-N 446.569 2.556 0 40 IFAB O=C(CN1CCC(NC(=O)C2CC2)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 58133397 KVJOQRSIHOLMIZ-OAQYLSRUSA-N 432.996 2.584 0 40 IFAB CCC[C@@H](C(=O)Nc1ccc(CC(=O)N(C)C)cc1)N1CCN(C(=O)OC(C)(C)C)CC1 72308057 YSLBCVDRBZKXPQ-FQEVSTJZSA-N 446.592 2.977 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N(C(C)C)C(C)C)C(=O)N2CCCN=C32)cc1 72336705 UTOAYSMBFISUIA-UHFFFAOYSA-N 438.532 2.919 0 40 IFAB O=C(C1CC1)N1CCc2nc(C3CCN(Cc4cc(F)ccc4F)CC3)[nH]c(=O)c2C1 72399002 YFGMLBFUKAQKOG-UHFFFAOYSA-N 428.483 2.722 0 40 IFAB CSCC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 96221447 CMBBQQLZOLKERP-ROUUACIJSA-N 437.525 2.614 0 40 IFAB biogenic CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 165708650 BBHCBLBREYXTOQ-IDPBPBMLSA-N 426.513 2.714 0 40 IFAB C[C@@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1cccc(F)c1)S(C)(=O)=O 220491915 DTDJJDDOZNLLCZ-LBPRGKRZSA-N 438.506 2.750 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223049008 RMFKNNDLMJWZDL-NRFANRHFSA-N 435.524 2.925 0 40 IFAB COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)CC1 224174927 DCJFDQDGDGIWTB-UHFFFAOYSA-N 434.489 2.676 0 40 IFAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 224265636 SYICGUANISLTSN-UHFFFAOYSA-N 434.558 2.943 0 40 IFAB O=C(CSCc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224277716 CNJVLCKKDXDHNQ-UHFFFAOYSA-N 434.583 2.900 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCO2 224917006 ZXHVAQJAEVVWLP-UHFFFAOYSA-N 431.514 2.810 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)ccc21 225051366 BZVMUTCYJRVSRA-LBPRGKRZSA-N 437.568 2.701 0 40 IFAB O=C(COc1cccc2cccnc12)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 226095879 QOFVBAOWXJXDFQ-UHFFFAOYSA-N 439.537 2.757 0 40 IFAB COc1ccc(N2C[C@@H]3C[C@]3(C(=O)Nc3ccc(OC4CSC4)cc3)S2(=O)=O)cc1 260826444 APOWCOANOBJNHV-QKKBWIMNSA-N 446.550 2.737 0 40 IFAB COc1ccc(CN2CC[C@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 306143115 XTOYAZDHDAFPOQ-FCHUYYIVSA-N 449.642 2.773 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 408559300 VAGJJHNUORPSER-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 408561895 WQHSBFMFGXJELY-NSHDSACASA-N 428.894 2.671 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408652332 CGWNAIQXPWNGTG-MASOJFRBSA-N 439.295 2.895 0 40 IFAB Cn1cc(-c2ccccc2CNC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)cn1 558154253 FOKBGYJGAVGYBE-UHFFFAOYSA-N 439.537 2.726 0 40 IFAB CCc1nc(CN2CCN(C(=O)N[C@@H]3CCCN(c4cc(C)nc(C)n4)C3)CC2)cs1 596295741 DCLCJDJWLBCGMT-GOSISDBHSA-N 443.621 2.609 0 40 IFAB COc1c2c(c(CNC(=O)c3ccc(OC(C)C)cc3)c3c1C(=O)N(C)CC3)OCO2 604405916 WYDPDXPBNULWCK-UHFFFAOYSA-N 426.469 2.769 0 40 IFAB biogenic O=C1CN2CCN(C(=O)c3cccnc3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594532 JLDFAFCNXJTAQJ-NRFANRHFSA-N 428.492 2.906 0 40 IFAB CC(C)Cc1nc2ccccc2n1CC(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 2037880118 BJZKXNUYYQIWGV-DEOSSOPVSA-N 439.535 2.917 0 40 IFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCc1ccc(F)cc1 2625607 VUKHMHXXIYLDHR-UHFFFAOYSA-N 431.467 2.980 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3347484 PEPWVXLJWWTURE-NRFANRHFSA-N 442.537 2.819 0 40 IFAB CCC(CC)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3431778 QDKSGMQOAXUAGU-UHFFFAOYSA-N 430.526 2.900 0 40 IFAB CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2C(=O)OC)cc1 8753694 AFQOQTTVTGURKI-ZDUSSCGKSA-N 427.486 2.967 0 40 IFAB CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 8825316 GAYBZBXVLLQXRJ-PQAPVRDISA-N 436.555 2.667 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1nc2ccccc2s1 8855768 WTDGGKCNHBEYBF-OAHLLOKOSA-N 426.523 2.699 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)nc3scc(C)n3c2=O)cc1 8931904 SPDWMFRBYULICX-UHFFFAOYSA-N 434.543 2.656 0 40 IFAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 8952763 CDSUCECIBOHFJN-UZLBHIALSA-N 448.633 2.572 0 40 IFAB biogenic C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(N2CCOCC2)cc1 9074817 GPWWKMZNCXNVIK-AWEZNQCLSA-N 441.509 2.751 0 40 IFAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(O)cc2O)cc1 9348175 YZAHDKDVTSFXDB-QFIPXVFZSA-N 433.464 2.545 0 40 IFAB Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O 9519029 PRXGYMMWOFCSQK-UHFFFAOYSA-N 429.524 2.706 0 40 IFAB CC(C)S(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 9707430 IDAJGQWSBSEJSI-UHFFFAOYSA-N 426.542 2.567 0 40 IFAB Cc1ccn2cc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)nc2c1 9714548 VBTDJJAIFBGMFY-UHFFFAOYSA-N 448.914 2.804 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(Cl)cc4)[C@H]3C2=O)cc1Cl 9748728 QBRZKIPRXBMFQC-ZWKOTPCHSA-N 446.294 2.911 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)c1 9807404 MASMUSLFKDDMQQ-IBGZPJMESA-N 443.569 2.828 0 40 IFAB O=C(Cc1cs/c(=N\S(=O)(=O)c2ccccc2)[nH]1)/N=c1\[nH]c2ccccc2s1 9821792 NPKDMARLKBFBSE-UHFFFAOYSA-N 430.536 2.579 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(Cl)cc5)CC4)ncnc32)cc1 9850118 WOBFARBNRXAZGY-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 10119270 ZAMDHQBJCAPSAF-UHFFFAOYSA-N 436.555 2.540 0 40 IFAB CCCc1nn(CC(=O)NCc2nc3ccccc3n2C)c(=O)c2cc3ccsc3n12 12116209 KTZKWLTUWBFKRX-UHFFFAOYSA-N 434.525 2.866 0 40 IFAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)cc1 12728170 YJWZUHMKXRKMQC-QGZVFWFLSA-N 431.495 2.960 0 40 IFAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12757682 HVDOZDCOPATBAV-HNNXBMFYSA-N 449.523 2.787 0 40 IFAB COC(=O)c1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl 12850691 SLPFZYIHUASCDO-UHFFFAOYSA-N 439.873 2.700 0 40 IFAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(Br)c1 12852744 ZJCWHCWCQKXBEA-GOSISDBHSA-N 425.348 2.801 0 40 IFAB O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1F)NCc1ccco1 13501992 AKQUJPBXVWJZIA-UHFFFAOYSA-N 430.461 2.944 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 13574779 OGPXOPVGYZCTOV-KKPNIWNPSA-N 447.535 2.772 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1C(=O)N1CCCC1 13669188 YPCQMYWAASIUQE-ROUUACIJSA-N 437.606 2.578 0 40 IFAB COc1cc(C(=S)N2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1OCC(N)=O 13692297 LYJMWDCOCPHVHJ-UHFFFAOYSA-N 434.945 2.872 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)NC(=O)N[C@H]1C 14229124 VAJGAVZETYAXMX-HNNXBMFYSA-N 436.464 2.901 0 40 IFAB CCn1cc([C@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 19524772 FKIKVFVDDMLMAJ-JOCHJYFZSA-N 449.523 2.979 0 40 IFAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(Cc2cccc(F)c2F)CC1 19552855 CQALKGKTHTXDBA-UHFFFAOYSA-N 445.495 2.632 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 20557858 HZFAYIIGHXUOLJ-QFIPXVFZSA-N 438.503 2.819 0 40 IFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 23127787 RFYIMUZRGMOXNB-OAQYLSRUSA-N 431.558 2.633 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)cc(C(=O)OC)c1 23131494 KPXKEYGMVTYBJQ-QOIYZWAUSA-N 430.501 2.872 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 32760560 KSFDLAIXTAGJNC-AVRDEDQJSA-N 448.571 2.939 0 40 IFAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 34856277 HHQQKWUXXREZKX-MRXNPFEDSA-N 433.961 2.624 0 40 IFAB COc1cc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c(OC)cc1Cl 48310535 JVDAMOYECSPMHS-FQEVSTJZSA-N 443.887 2.771 0 40 IFAB CCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cccc(OC)c2)CC1 49001739 YVEHWOQKKKANQH-UHFFFAOYSA-N 437.587 2.798 0 40 IFAB COc1ccc(-c2ccc(=O)n(CN3CCc4cc(OC)c(OC)cc4C3)n2)cc1OC 72403557 VMFHJPUUGXRYGS-UHFFFAOYSA-N 437.496 2.961 0 40 IFAB COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1F 90590557 BYKYGSBWFAHJAM-UHFFFAOYSA-N 434.475 2.854 0 40 IFAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ncnc3c2cnn3C)CC1 95947357 XZZGFXWXDOKQLG-CYBMUJFWSA-N 433.438 2.531 0 40 IFAB COc1cc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCOCC2)cc(OC)c1OC 96117133 QHLDQBQXEHCYCJ-SFHVURJKSA-N 435.502 2.741 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 110522565 VLNGPEQLJOGPIG-OFQRWUPVSA-N 438.956 2.869 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)c1ccccc1F 219243782 UNQLWMCKVAYMJS-QGZVFWFLSA-N 435.521 2.857 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223760106 PPHYCJMHVHBFKL-LZQZEXGQSA-N 445.947 2.535 0 40 IFAB CCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1 225949687 NVOOZKZZVZCLGE-OAQYLSRUSA-N 432.498 2.566 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 253486961 BNQWFBYQJUWALC-WCIQWLHISA-N 435.867 2.946 0 40 IFAB COc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc(C)c(NC(C)=O)c2)CCN1C(C)=O 257235315 GXHFWXQLJOCMCD-QFIPXVFZSA-N 438.528 2.806 0 40 IFAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCOC[C@@H](Cc3nccn4cccc34)C2)C1 257273505 NGWCYGCWKNLMAC-AVRWGWEMSA-N 448.523 2.944 0 40 IFAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CCOC[C@H](Cc4ccc5ccoc5c4)C3)ccc21 257280984 ONEVOOOZQLRHPD-GOSISDBHSA-N 448.523 2.753 0 40 IFAB C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C2)NC(=O)c2ccccc2N1 257297335 RGUXRXXMCULTIU-ZGZPNVMRSA-N 446.555 2.503 0 40 IFAB CCCN1CCN(C(=O)Cn2cccnc2=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257303142 SFZJMGIQPSJJBT-HSZRJFAPSA-N 444.535 2.602 0 40 IFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CC(=O)Nc2cn(C)nc2C)c1 257314647 UXWUHLSKZKLFIU-HFMPRLQTSA-N 439.560 2.940 0 40 IFAB O=C(COc1ccc(F)cc1F)N1CCO[C@H](c2cccc(Nc3nncs3)n2)C1 257328536 XGCNYHBDVNOIMY-INIZCTEOSA-N 433.440 2.934 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 408591671 JWSBVLRPFNMURK-AWEZNQCLSA-N 438.933 2.621 0 40 IFAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 409061848 JCDJRKYMYPRMSD-RPWUZVMVSA-O 443.527 2.777 0 40 IFAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 575420684 DKZPERMZVNSXEG-GOSISDBHSA-N 436.555 2.528 0 40 IFAB Cc1cc(O[C@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)nc(C)n1 575609828 QOSBPPCJVIMCSA-IBGZPJMESA-N 431.558 2.888 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618271 UOZJABIWCLAYEC-QFBILLFUSA-N 434.471 2.752 0 40 IFAB Cc1cccc(OC[C@@]2(O)CN(Cc3cccc(OCCN4CCCC4)c3)CC[C@@H]2O)c1 585284137 VDYMFSUQMHLYLO-UIOOFZCWSA-N 440.584 2.846 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCN(c4ccccc4)C3)n(C)c2)C1 604241448 QSJQNAZZHNSFDZ-RBUKOAKNSA-N 444.601 2.845 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccc(F)cc2)cc1OC 802822 SGAMGGXPTCEGQV-UHFFFAOYSA-N 448.472 2.948 0 40 IFAB Cc1cc(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)n1C[C@H]1CCCO1 3288495 HINAXHWSUGLQGW-GOSISDBHSA-N 449.507 2.980 0 40 IFAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCc2ccccc2)cc1 5226359 RMVOUKBTADXCAM-UHFFFAOYSA-N 429.480 2.605 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 5773442 PDVSJFLFONBEFJ-HOCLYGCPSA-N 427.588 2.701 0 40 IFAB CNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6198719 CMBWGCOXJLSGDM-UHFFFAOYSA-N 425.510 2.814 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCCCC1)OCCO3 6445209 MYAQNLDMOIUIGK-OAQYLSRUSA-N 436.516 2.976 0 40 IFAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1N 9418834 ZFMNTXRXDHYEIA-UHFFFAOYSA-N 428.496 2.662 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]21 9675102 YPQAKBDAVJYAFS-RTBURBONSA-N 441.875 2.843 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCc2c(C)noc2C)NC(=O)N[C@H]1c1ccccc1 9730194 RXWKAAUBQSPPIX-FQEVSTJZSA-N 427.457 2.639 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2cccc(Cl)c2)cc1 10111422 STEUFDDTOPBNEK-UHFFFAOYSA-N 439.965 2.612 0 40 IFAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 10289194 UUGLFTBPUOTDSH-NRFANRHFSA-N 432.542 2.694 0 40 IFAB CC1CCN([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccco2)CC1 11998747 YYCWLRJMUQGEQP-IBGZPJMESA-N 445.541 2.549 0 40 IFAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 12142067 FYRHNECBTJONHY-QGZVFWFLSA-N 443.525 2.733 0 40 IFAB CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(OCC)nc(C)n3)CC2)cc1 12224557 GHKKRWGAYNZOJB-UHFFFAOYSA-N 434.562 2.874 0 40 IFAB O=C(NCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1COc2ccccc2O1 12325141 SYKLCTVEOOJMQE-OAQYLSRUSA-N 443.931 2.725 0 40 IFAB CCOc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OCC(=O)N1CCCCC1 12520565 SFGIOOYSTWYZJN-JOCHJYFZSA-N 448.527 2.923 0 40 IFAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O 12802551 SGWHJBIAMJNCDB-NRFANRHFSA-N 431.481 2.753 0 40 IFAB Cc1cccc(N2CCN(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)CC2)c1C 13097792 LVAWKDIKSGHDJC-XMMPIXPASA-N 436.512 2.579 0 40 IFAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCc3ccc(O)cc3)CC2)cc1 13691564 GKTQTOWFIRFCQV-UHFFFAOYSA-N 446.569 2.844 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(O)cc3)cs2)cc1 13724576 YUGYQJORQGONTN-UHFFFAOYSA-N 446.510 2.789 0 40 IFAB C[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 15643885 QLYZWTNNXWUTMB-SNVBAGLBSA-N 447.296 2.590 0 40 IFAB COC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850588 WVGKBHWDKMPTKZ-MRXNPFEDSA-N 442.497 2.511 0 40 IFAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c(OC)c1 19291273 DOFMJPMQXDHAQN-QHCPKHFHSA-N 440.519 2.980 0 40 IFAB COc1ccc(-c2noc([C@@H]3CN(C(=O)CN4CCc5ccccc5C4)CCO3)n2)cc1 19558504 MNJGWUSQTIGNCT-NRFANRHFSA-N 434.496 2.703 0 40 IFAB O=C(Nc1ncccc1O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 22265130 CKXGWVDUUWUNFP-UHFFFAOYSA-N 427.438 2.612 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 22780849 NDJSQJYOFFRUPK-DLBZAZTESA-N 429.590 2.818 0 40 IFAB CCONC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 22875143 PTWXBBMCNGYILW-NSHDSACASA-N 434.889 2.827 0 40 IFAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1nc2ccccc2s1 23107227 VRRINYLRKLCNBB-QGZVFWFLSA-N 428.489 2.564 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CCOCC2)cc1 23107541 KVPOBPHQPOZIEW-HXUWFJFHSA-N 431.920 2.785 0 40 IFAB COc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@@H]3C(=O)N(C)C)c2=S)cc1 24988837 VTHRRGOMWAJMKE-LJQANCHMSA-N 438.557 2.984 0 40 IFAB O=C(NCC(=O)N1CCN(CCN2CCCC2)CC1)c1sc2ccccc2c1Cl 25049275 DLRGJTRRVHWOJR-UHFFFAOYSA-N 434.993 2.525 0 40 IFAB O=C1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c2ccccc2N1 30866895 AOMSVPWDOIUBSL-LJQANCHMSA-N 441.553 2.646 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccc(C)o1 32754865 BOFZQPQMVMULMU-DYVFJYSZSA-N 431.272 2.886 0 40 IFAB Cc1nc2nc3ccn(NC(=O)c4cccnc4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828897 MQFNFNJLLVRLSV-UHFFFAOYSA-N 431.843 2.847 0 40 IFAB CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 40150044 VKIXIZOGQGDBQR-FQEVSTJZSA-N 430.574 2.929 0 40 IFAB Cc1ccc(O)c(S(=O)(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)c1 40155553 COMLWLDSFOHOGV-UHFFFAOYSA-N 437.525 2.716 0 40 IFAB CC(C)CCC[C@H](C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 44921390 FTEHIELAEPTDOH-FQEVSTJZSA-N 425.577 2.901 0 40 IFAB Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)c2)n1 48236864 HHTVRQOUHURIQN-UHFFFAOYSA-N 442.541 2.856 0 40 IFAB CCCCCCN(CCN1CCOCC1)S(=O)(=O)c1cc(NC(C)=O)ccc1C 48310061 UYBRGCDSFYZYOT-UHFFFAOYSA-N 425.595 2.857 0 40 IFAB Cc1cc(F)ccc1NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 49404388 GCVZMNJUZLFQKH-UHFFFAOYSA-N 426.477 2.733 0 40 IFAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)snc2c1=O 49409850 PZBFDWLFLOQGQI-UHFFFAOYSA-N 447.948 2.562 0 40 IFAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 58046661 OXDVVOLFOOVOMM-HOTGVXAUSA-N 447.557 2.553 0 40 IFAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)NC2=O)c1 64965725 JFLZZRPALMTAQV-UHFFFAOYSA-N 441.553 2.720 0 40 IFAB CN1CCN(c2ccccc2NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 69417655 SZWKHHAQGJAIBP-UHFFFAOYSA-N 434.462 2.755 0 40 IFAB Cc1sc2nc(CN3CCN(C(=O)CCCc4ccccn4)CC3)[nH]c(=O)c2c1C 95948411 RRGHATBSQJVUIZ-UHFFFAOYSA-N 425.558 2.664 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1OC 216338691 SSXJDLJXVVFOAE-KRWDZBQOSA-N 449.573 2.811 0 40 IFAB Cc1cccc(N(CCCC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 219623743 IBLDSKCPIXLSJK-UHFFFAOYSA-N 428.514 2.908 0 40 IFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220239821 LDIBREAYEHKNBH-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222417135 AHESIKWSEBUWPT-IBGZPJMESA-N 445.585 2.541 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222924621 UVZNBMZJQYAAMA-LZQZEXGQSA-N 445.947 2.535 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3cccc(C)c3C)CC2)cc1 223972685 JDTKOVPPARZUBD-UHFFFAOYSA-N 446.569 2.908 0 40 IFAB Cc1nonc1CNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(Cn2ccnc2C)cc1 257216415 CULLXVPCMUZFLD-HSZRJFAPSA-N 436.516 2.632 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3SC(=O)NC3=O)CC2)on1 257328010 XDTLGTTWDQUKPN-ZQIUZPCESA-N 443.529 2.880 0 40 IFAB O=S(=O)(Cc1ccccc1)NC[C@@H]1CC[C@]2(COCCN(Cc3ccccc3F)C2)O1 306132945 LXHSGFLWAYNZQF-GMAHTHKFSA-N 448.560 2.695 0 40 IFAB O=c1ccc(C(F)(F)F)nn1Cc1ccccc1Cn1nc(C(F)(F)F)ccc1=O 533626712 FMWWFAJGAKLVSC-UHFFFAOYSA-N 430.308 2.934 0 40 IFAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2o1 575618634 AITADXVVOJEXQA-LJQANCHMSA-N 434.496 2.917 0 40 IFAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)c1cn(C)c2ccccc12 585097503 KOFREVKMBGWGNP-QGZVFWFLSA-N 442.523 2.846 0 40 IFAB COc1cc(CN2CCC[C@](O)(COc3ccccc3)C2)ccc1OCCn1cnnc1 585270032 APYOQDFPZSEQMD-XMMPIXPASA-N 438.528 2.772 0 40 IFAB CCN(C(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3)[C@H]1CCS(=O)(=O)C1 3502800 JLHZYHRJSXRUHR-OLZOCXBDSA-N 439.628 2.944 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1 4195459 HHBBFYFMZRXIIC-UHFFFAOYSA-N 442.545 2.870 0 40 IFAB CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 4400343 WQRVTBRXVNGUCR-UHFFFAOYSA-N 430.464 2.700 0 40 IFAB biogenic CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C(=O)O)C(C)C 8877545 MHLJSXLZCZTUQI-UHOSZYNNSA-N 446.548 2.819 0 40 IFAB biogenic COc1ccc(-c2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)n2N)cc1 9111659 XSNWWKNETOXTST-UHFFFAOYSA-N 435.517 2.779 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)NCc2cccs2)cc1 9128579 AJNVVQMZSZOGNM-FMIVXFBMSA-N 436.555 2.651 0 40 IFAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9307925 GZBFPWVADDGCDT-IBGZPJMESA-N 443.551 2.838 0 40 IFAB COc1ccc(NC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)cc1OC 9431268 QSLKXDBYUWSDSO-UHFFFAOYSA-N 427.486 2.621 0 40 IFAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9701411 XXDMZMDYHBWSAH-UHFFFAOYSA-N 442.453 2.502 0 40 IFAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 11858333 IBSSYEVDROWOQJ-UHFFFAOYSA-N 438.527 2.686 0 40 IFAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccn(C)n2)C1 12156793 FLDADVORSNDCBC-WZONZLPQSA-N 442.491 2.928 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237179 CGISISSJXCRGGN-LHSJRXKWSA-N 436.468 2.970 0 40 IFAB COc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1OC 12555302 NJTLBLNBPSMWSR-JOCHJYFZSA-N 439.512 2.922 0 40 IFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CNC(=O)c1cccc(OC(F)F)c1 12557882 RTFXIGGNICIXAT-UHFFFAOYSA-N 432.471 2.717 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12792237 OAJPLYOBWGGOEC-UHFFFAOYSA-N 431.464 2.968 0 40 IFAB NC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 12882552 YYCXISVOVRZNNI-UHFFFAOYSA-N 445.884 2.565 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1 12909999 VWZRUGZDYUNHSJ-UHFFFAOYSA-N 434.461 2.707 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC12CC3CC(CC(C3)C1)C2 12915120 NNSRPJXXFROMRY-UHFFFAOYSA-N 434.558 2.601 0 40 IFAB CC(=O)N[C@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13084992 YNCPBZQSLILXEP-HSZRJFAPSA-N 436.556 2.533 0 40 IFAB O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 14208420 KRWHHVZAJCVFJN-UHFFFAOYSA-N 446.497 2.551 0 40 IFAB COc1cc(NC(=O)COC(=O)c2cc(Br)ccc2O)cc(OC)c1OC 15181034 GAFCAICOQMIVKT-UHFFFAOYSA-N 440.246 2.976 0 40 IFAB NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)COc2ccccc2)CC1 19700367 NJPHKZUOZFYWBZ-UHFFFAOYSA-N 430.508 2.859 0 40 IFAB COc1cccc(CN(C)CC(=O)N2CCC[C@H](c3ccc4c(N)nc(C)nc4n3)C2)c1 19743610 BMJZQYNLFSBZNV-SFHVURJKSA-N 434.544 2.762 0 40 IFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C)C(=O)Nc1ncnc2nc[nH]c12 22188774 NXWPADLQUOOHLP-SNVBAGLBSA-N 430.490 2.891 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cc2cc(OC)ccc2OC)cc1 22227452 WBKGJENGFBYQKX-UHFFFAOYSA-N 434.558 2.636 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(OC)cc1 22253114 JQJDQCKTRUVJAN-CQSZACIVSA-N 436.530 2.989 0 40 IFAB CCCOc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 22388277 JJXKVIIAIPFALV-UHFFFAOYSA-N 445.585 2.586 0 40 IFAB CCOc1ccc(N2C(=O)/C(=C\N[C@@]3(C)CCS(=O)(=O)C3)c3ccccc3C2=O)cc1 24075362 DQKQVQGCUQXPFL-CBIIRDDDSA-N 440.521 2.780 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606723 ZEZUDYNIUOBKFY-OAHLLOKOSA-N 435.571 2.927 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccc(OCc3ccc(F)cc3)c2)NC(=O)NC1 24746677 FYZFGCCGRRBVSD-UHFFFAOYSA-N 428.416 2.692 0 40 IFAB O=C(CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)Nc1ccc(F)c(F)c1F 24812253 QQILXDKBYRTWRN-LLVKDONJSA-N 425.432 2.773 0 40 IFAB CC(=O)N[C@@H]1[C@@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 35736507 QPPZFMUEXZZDBD-RMVFICBOSA-N 435.476 2.923 0 40 IFAB COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)c3ccc(Br)o3)cc12 40267328 RSBYXMUSEVRDEU-UHFFFAOYSA-N 436.262 2.700 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)NC(=O)N1CCN(c2ccccc2)CC1 61721446 LKEFNORALGKCIW-INIZCTEOSA-N 439.516 2.512 0 40 IFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1cccnc1 67896538 OFKIIMQSFCQXMD-FYYLOGMGSA-N 435.455 2.934 0 40 IFAB biogenic,in-vitro COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 72305323 XRHGCZWBMLBQQX-DOTOQJQBSA-N 431.489 2.507 0 40 IFAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 97109056 GECCAOHJYFQHQO-GFCCVEGCSA-N 443.447 2.857 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5CC56CCC6)CC4)nn3c(O)c2C1 100729267 LDAGYWPZJUBWGR-QGZVFWFLSA-N 437.544 2.626 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101363587 HBSIGFMAIRSOTN-HOEOUTIMSA-N 449.532 2.921 0 40 IFAB COc1ccc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1OC 102788314 NUTYDIZGSWTGST-SNTCSEMISA-N 430.501 2.661 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)c2ccc(F)cc2)cc1 113936637 YYSHMKMZHQYHQD-UHFFFAOYSA-N 449.548 2.584 0 40 IFAB Cc1cc(O[C@H](C)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c(C)cc(=O)oc2c1 137970319 NIYUNFSVJZLKDB-FGTMMUONSA-N 434.492 2.985 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223184670 AFYIIWUFUUBBLJ-CEXWTWQISA-N 445.947 2.535 0 40 IFAB CN(Cc1ncc(C(=O)NCCc2ccccc2)cn1)S(=O)(=O)c1ccc(Cl)cc1 223387736 WSOAJZCOAMVTBV-UHFFFAOYSA-N 444.944 2.923 0 40 IFAB Cc1nc(NC(=S)NCCN2CCOCC2)c(Br)cc1Br 223891521 MFLUXTQHMXUUTQ-UHFFFAOYSA-N 438.189 2.534 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)s2)cc1 225075257 KBFADQBLKJCRNP-UHFFFAOYSA-N 436.490 2.758 0 40 IFAB CCOc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 225175789 OMNORCKQEXMAOU-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB c1cncc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306142722 XHLNYFJKLZSBHX-QHCPKHFHSA-N 432.572 2.835 0 40 IFAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 408549656 WIMNTFYRVGEGOU-CXUHLZMHSA-N 430.844 2.993 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653753 FRFUZSDKUWBFMR-RJYYBVGHSA-N 430.888 2.653 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)COC)c(C)c2)cc1 408675004 OPCBVGSWRXGUQX-INIZCTEOSA-N 436.530 2.724 0 40 IFAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 408695155 RAEHPSQJOWQCSA-SFHVURJKSA-N 434.514 2.512 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409201256 OYQJXEVLUVMIKX-MFOYZWKCSA-N 440.433 2.831 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC(=O)N4)C2)cc1 513241274 QYZJWVBHAQISGB-KRWDZBQOSA-N 441.553 2.710 0 40 IFAB Cc1ccc(N2CC[C@@]3(CN(C(=O)c4cn(C)nc4C(F)F)CCC3(F)F)C2)nn1 585101890 KIUGFWNMTODEPX-SFHVURJKSA-N 426.418 2.834 0 40 IFAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775968621 HKRNBBXZDQCIMR-MRXNPFEDSA-N 439.493 2.923 0 40 IFAB O=c1nc2s/c(=C\c3ccc(Br)cc3)c(=O)n2nc1Cc1ccc(F)cc1 2447834 UUHBNOZASFMUJL-YBEGLDIGSA-N 444.285 2.551 0 40 IFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)OCCO2 2639950 HSXJTJOKDBDUKO-UHFFFAOYSA-N 443.459 2.892 0 40 IFAB O=C(CN1C(=O)N/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1ccc(F)cc1 3659225 ZSQAGLBKAJUABF-UNOMPAQXSA-N 448.410 2.846 0 40 IFAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8751127 FKGRMUJSBKOSOY-FQEVSTJZSA-N 430.526 2.858 0 40 IFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccc(OC(F)F)c2)c(=O)[nH]c1=O 8946019 BPZZFRPLCORUFC-UHFFFAOYSA-N 448.426 2.960 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cccs2)ccc1=O 8954935 IUVLJRVGWXBSDZ-UHFFFAOYSA-N 425.919 2.612 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nccn2Cc2ccccc2)C1=O 9367310 LTZBJOCNGTXJPU-QHCPKHFHSA-N 449.536 2.912 0 40 IFAB COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1NS(=O)(=O)c1ccc(F)cc1 9415331 GOTIXZXVTCNCBZ-UHFFFAOYSA-N 449.504 2.832 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)C1 9508980 MBXDQUFQHXPZMD-HZPDHXFCSA-N 440.529 2.581 0 40 IFAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 9684403 LHAQNQRUFUDKCZ-UHFFFAOYSA-N 442.566 2.958 0 40 IFAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9952660 DHFLICDFCIPIQU-GOSISDBHSA-N 437.562 2.557 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O 10166421 CKMZUIGOPDXSRN-SNVBAGLBSA-N 430.288 2.974 0 40 IFAB COc1ccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 10450055 PBABSWRFFMWXIU-UHFFFAOYSA-N 445.585 2.801 0 40 IFAB Cc1ccc(C)c(C(=O)COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 12178917 GLSVKURHYHWYAL-UHFFFAOYSA-N 440.521 2.890 0 40 IFAB COc1cccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1OC 12219525 CRINLJYVKLZJOJ-SFHVURJKSA-N 437.544 2.964 0 40 IFAB Cc1nc(-c2ccc(CCNC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)s2)cs1 12396374 QTPRPNCYRIYIQK-UHFFFAOYSA-N 426.523 2.542 0 40 IFAB CCN(CC)Cc1ccccc1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 13012955 KXJMCMDAQWRQKX-DEOSSOPVSA-N 440.519 2.751 0 40 IFAB Cc1c(C)c2c(OCC(=O)NCCc3c[nH]cn3)cc3c(c2oc1=O)CCC(C)(C)O3 13551532 UOHKIMAQKVKAEP-UHFFFAOYSA-N 425.485 2.974 0 40 IFAB biogenic O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)NCCN1CCOCC1 13557219 BBHPFQAAUUYDKZ-UHFFFAOYSA-N 442.899 2.941 0 40 IFAB COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 13843972 OKZUXQDCRUQVBX-OAQYLSRUSA-N 449.551 2.912 0 40 IFAB CCCn1c(=O)n(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c2ccccc21 14186127 CMQZYSYGNPHYQN-UHFFFAOYSA-N 427.457 2.656 0 40 IFAB COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1 16841848 CKIIALNYSCNRQL-UHFFFAOYSA-N 436.540 2.693 0 40 IFAB Cn1/c(=N\S(=O)(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc21 18059462 ZRXATGJHZBPJSG-QZQOTICOSA-N 427.507 2.506 0 40 IFAB CCOc1ccccc1Cc1ccc([C@H]2CN(C(=O)c3cnc(N)nc3C)CCO2)nc1 19692321 UYKWUNDNIBKQSY-JOCHJYFZSA-N 433.512 2.965 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(CC(=O)N2CCCCC2)CCO1 19697575 LHRPVBRNBWXPDV-SFHVURJKSA-N 445.585 2.663 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19707820 DVMSGSIBIMSECJ-FQEVSTJZSA-N 425.508 2.858 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccccc1F 19744296 LXMHMRMPSAJWKR-IBGZPJMESA-N 448.502 2.767 0 40 IFAB CN1CCN(C(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)[C@@H](c2ccccc2)C1 19750689 YYZMQKBXHHVNBV-JOCHJYFZSA-N 448.498 2.755 0 40 IFAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(CN(C)C(C)=O)cc(N(C)C)n2)cc1 19753884 YPDYKCQXNMJVKN-NRFANRHFSA-N 439.560 2.826 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)NCc1ccccc1 19764377 PSBQGHPASQFYCZ-NRFANRHFSA-N 445.523 2.781 0 40 IFAB Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C 21476728 FKYBIDCWTOJXKN-UHFFFAOYSA-N 438.513 2.964 0 40 IFAB C[C@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1cccc2ccccc12 22803257 KNGDKGYTXXTUIY-NRFANRHFSA-N 444.579 2.951 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1 23737953 TZAKCOCVUXEYLM-OFVILXPXSA-N 434.540 2.715 0 40 IFAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23763472 VSSKNBFCUINFLX-HNNXBMFYSA-N 429.904 2.531 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2nc3c(C)cc(C)cc3s2)C1=O 23819068 VIRRMESMLXGBKW-UHFFFAOYSA-N 432.502 2.505 0 40 IFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1Br 28223201 MMPMFCOBMKMBSS-LLVKDONJSA-N 426.130 2.574 0 40 IFAB COc1cc(N2C[C@@H](C(=O)Nc3ccccc3CN(C)C)CC2=O)cc(OC)c1OC 31231350 PAIGPAPPAZBQAU-INIZCTEOSA-N 427.501 2.766 0 40 IFAB O=C(Nc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1)c1cccs1 32722134 QXPVJZMHNXJDLG-ZWKOTPCHSA-N 448.566 2.809 0 40 IFAB COc1ccc(-c2nc(COC(=O)c3ccc(S(N)(=O)=O)cc3)cs2)c(OC)c1 32738760 ZYUBCEWUHXHBEH-UHFFFAOYSA-N 434.495 2.832 0 40 IFAB COc1ccc(-n2ncc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2C(F)(F)F)nn1 32909108 ZFKBDFCWCGQJLV-UHFFFAOYSA-N 426.443 2.729 0 40 IFAB CCN1CCN([C@H](C(=O)O)c2cn(CCC(=O)O)c3cc(Br)ccc23)CC1 36359658 NGCOBOFRPZHLCG-SFHVURJKSA-N 438.322 2.642 0 40 IFAB C[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)Cn1ccc(C(F)(F)F)n1 36614556 BGHGEOSCFCNLOH-ZDUSSCGKSA-N 430.452 2.643 0 40 IFAB CCOc1ccc(OCC(=O)Nc2cc(C(=O)N3CCCCCC3)cn(C)c2=O)cc1 36685902 GMYSPWSXFOJAFJ-UHFFFAOYSA-N 427.501 2.818 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 39973587 SOXSHQWSPLYFAN-IBGZPJMESA-N 446.891 2.637 0 40 IFAB CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 40121298 BACVVMRGDHHJHW-QUCCMNQESA-N 429.561 2.701 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N1CCN(CCSc2ccccc2)CC1 40150905 CNDBDKOSJBWWOD-UHFFFAOYSA-N 449.598 2.614 0 40 IFAB Cc1cc(C)n(-c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)n1 48229694 MJEOAHDAFUEOQH-UHFFFAOYSA-N 427.530 2.730 0 40 IFAB CCN1CCN(c2ccc(CNC(=O)CCc3nnc(-c4ccsc4)o3)cn2)CC1 48278756 ULRLVOULJUJBPH-UHFFFAOYSA-N 426.546 2.584 0 40 IFAB COc1ccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)c3ncccc23)cc1 58155927 PTBQEADJHLVEHW-KRWDZBQOSA-N 446.550 2.934 0 40 IFAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 58209204 ZPVWLOUUMFVEKC-YXBWYFRISA-N 429.586 2.755 0 40 IFAB CC(C)Cc1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)s1 71328921 GVYMQQOMQOIWNF-CQSZACIVSA-N 434.541 2.735 0 40 IFAB CC(C)CN1C(=O)CO[C@H](c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[C@H]1CO 72321158 SZNPDOINZFWMFY-TZIWHRDSSA-N 436.505 2.543 0 40 IFAB biogenic,in-vitro COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2c(c(OC)c1OC)OCO2 85413055 UUFLUGRCQIXCBE-IFXJQAMLSA-N 426.377 2.605 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)cc1 96121733 OQLAAVXBPOSVMY-UHFFFAOYSA-N 439.541 2.503 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCc3c(C)nn(C)c3C)C2=O)cc1 96931224 NGQGHKHNERRJIK-CPNJWEJPSA-N 442.541 2.831 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)c1 97943493 BAZQMJVXNLJYQT-JOCHJYFZSA-N 445.523 2.765 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1F 222653746 AYSSMALKVANAEJ-UHFFFAOYSA-N 437.512 2.860 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)nc2c1CN(C)CC2 257276716 NUVZEYNVGWGLBP-KRWDZBQOSA-N 426.609 2.689 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 260848640 OJBZJRVOJDAJPX-QGZVFWFLSA-N 445.324 2.716 0 40 IFAB Cc1cccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c1C 408601563 ALYRGGVVEAJRAG-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(NC(C)=O)cc2)n[nH]1 408638594 SKUDVLDCJANKBZ-UHFFFAOYSA-N 425.470 2.948 0 40 IFAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCCN(C)C)c(OC)c2)cc1 585270842 BOLUCVIPBCXJHF-HXUWFJFHSA-N 432.561 2.906 0 40 IFAB CCn1ccc(NC(=O)[C@H]2CN(C(=O)c3ccc(Cl)c(N4CCCC4)c3)CCN2C)n1 1848353536 MQWCFHWUKPMWKI-LJQANCHMSA-N 444.967 2.552 0 40 IFAB CC1(C)NC(=O)N(C[C@@H](O)COc2cc3ccccc3cc2C(=O)N2CCCCC2)C1=O 2202964 KSACHZWXBFKHEO-GOSISDBHSA-N 439.512 2.536 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(F)ccc1F 3437005 HDGOGAJMPQFOOQ-UHFFFAOYSA-N 438.452 2.935 0 40 IFAB COc1cc(C2=NO[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1OC 4056923 QKXAMLBOJCXPTF-OAQYLSRUSA-N 443.475 2.693 0 40 IFAB Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)cc1 8588030 HDVGGYQYFVSKHB-UHFFFAOYSA-N 430.511 2.615 0 40 IFAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OC(F)(F)O2 9119517 VHMFGMCJGIXOFK-OAHLLOKOSA-N 436.392 2.993 0 40 IFAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc32)cc1Cl 9517839 WCKFZYPVUNLFCY-UHFFFAOYSA-N 443.294 2.909 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 9576806 CYVBRLPVMVPAMD-RUZDIDTESA-N 430.508 2.783 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc(C(=O)OC)c1 11247320 SCWLPRHOWGDRSL-IBGZPJMESA-N 434.452 2.811 0 40 IFAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 12162973 FCRIDGYCOYMMEJ-VAXXYWNWSA-N 428.577 2.573 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12553722 PVISTPSAJDARFZ-UHFFFAOYSA-N 431.464 2.968 0 40 IFAB COc1cc(OC)c(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1Cl 12759104 VOJADSDWBLWLBY-HNNXBMFYSA-N 438.933 2.989 0 40 IFAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 12855424 YLASMFAFFBSGBM-UHFFFAOYSA-N 447.582 2.889 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1cc(Cl)ccc1Cl 12930718 VQGLXRVLGSFPHY-RNODOKPDSA-N 437.279 2.963 0 40 IFAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CCCO1 12981733 DHAZPJRAMYHICX-WFASDCNBSA-N 436.361 2.577 0 40 IFAB O=S(=O)(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cccc2nsnc12 19079914 QQNPJZAPXYWKJH-UHFFFAOYSA-N 448.839 2.885 0 40 IFAB CCCC12CN3CC(C)(CN(C1)C31C(=O)N(CC)c3ccc(Br)cc31)C2=O 19320064 WDNOMYWMAVWHET-UHFFFAOYSA-N 432.362 2.975 0 40 IFAB biogenic O=C(NCCCN1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 19342309 YWRWOUPZQLBPPN-JOCHJYFZSA-N 429.542 2.506 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400044 OGDZPYCOOXQPPH-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CCN1C[C@H](C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccc(C)cc3)C2)CC1=O 19526948 DOKLNKITAUCQBV-FGZHOGPDSA-N 433.552 2.648 0 40 IFAB COc1cc(CCC(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)on1 19550418 AECPHMYEWLSGHX-AWEZNQCLSA-N 441.463 2.644 0 40 IFAB CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 19767013 GRMFJVAYSVFGBM-IBGZPJMESA-N 437.610 2.961 0 40 IFAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccc(Br)c1 19819740 SLOAVDXDVQFIHW-QGZVFWFLSA-N 433.302 2.981 0 40 IFAB COc1ccc(CNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 20237638 FYDUTPOFQQVBFT-UHFFFAOYSA-N 427.320 2.540 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc(NC(C)=O)c2)cc1OC 20745262 UJGBWOSXLQPXFW-UHFFFAOYSA-N 448.479 2.671 0 40 IFAB CCOc1ccc(CN(C)C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22772919 IVSMZJPBQVMKPR-UHFFFAOYSA-N 425.529 2.590 0 40 IFAB CC1CCN(c2ccc(NC(=O)CN3CCCN(CC(=O)NC(C)(C)C)CC3)cc2)CC1 22802177 UHYCEFCOALMWSB-UHFFFAOYSA-N 443.636 2.784 0 40 IFAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(=O)NC2CC2)CC1 22932663 WOXHYZIZWQHYIN-LBPRGKRZSA-N 432.874 2.582 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1OCC(N)=O 29477476 CQJSUQFVAHOISI-KRWDZBQOSA-N 426.469 2.698 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1 31207701 ZSMUCKBPRYSIRC-OAHLLOKOSA-N 438.366 2.617 0 40 IFAB O=C([C@H]1CCS(=O)(=O)C1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32768267 GDIOAMMJSSURCZ-SFHVURJKSA-N 434.508 2.633 0 40 IFAB CCOC(=O)/C=c1/s/c(=C/c2ccc(SC)cc2)c(=O)n1Cc1ccc(F)cc1 33466759 PRKDREKBWLWBRG-KVOOEGMKSA-N 429.538 2.992 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 34706508 RFAJSEZALBHGRG-NSHDSACASA-N 443.319 2.772 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nc(C)n2)n1 35597303 YELAXKGVIVSOJR-UHFFFAOYSA-N 444.536 2.546 0 40 IFAB O=C(c1ccc[nH]c1=O)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 36707984 RWBAWKDQJWMVJD-UHFFFAOYSA-N 427.508 2.731 0 40 IFAB O=C(COc1ccc(I)cc1)NC[C@H]1COc2ccccc2O1 39448440 AYAOHPREHWQKBJ-AWEZNQCLSA-N 425.222 2.626 0 40 IFAB O=C(Cc1cc2ccccc2[nH]c1=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 40113294 URSJGGWEIGWGJE-UHFFFAOYSA-N 427.863 2.848 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 45933241 QDLYEZKASSULCR-UHFFFAOYSA-N 441.553 2.524 0 40 IFAB COCCn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 57640286 STULHOPEMUPFPR-UHFFFAOYSA-N 448.527 2.680 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(Nc4cccnc4)CC3)C2)s1 58331292 KGLKMCPGHPKDNT-KRWDZBQOSA-N 448.614 2.955 0 40 IFAB COc1cccc(NC(=O)C[C@H](CN2CCN(c3cccc(OC)c3)CC2)C(=O)O)c1 71283368 ZWKKQWQLIUUOHS-QGZVFWFLSA-N 427.501 2.555 0 40 IFAB CC[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)CCCN4CCCC4=O)CC3)cc2NC1=O 72339731 UJMZFSAKZJUVPK-IBGZPJMESA-N 441.528 2.620 0 40 IFAB Cc1c(C)c2ccc(OCC(=O)N3CCN(CCc4ccccn4)CC3)c(C)c2oc1=O 79490844 JGOSPFIXMCKPNT-UHFFFAOYSA-N 435.524 2.879 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(CC(F)(F)F)cc3)C2)cc1 95454989 DZLDYJPKGLRWGV-UHFFFAOYSA-N 443.447 2.995 0 40 IFAB COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)n2)cc1OC 97001954 WIWRGCMYNZUBNB-HNNXBMFYSA-N 447.517 2.662 0 40 IFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC 206798638 FNRWTJXBJSOULF-PKOBYXMFSA-N 431.460 2.997 0 40 IFAB CCSc1nnc(NC(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)s1 223075916 BAYRHMMKOQACBE-ZDUSSCGKSA-N 430.577 2.842 0 40 IFAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 223718046 LDRRJZXOJFWYJH-DQLDELGASA-N 428.558 2.988 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225541438 BTPHMNBBYIJBBW-MRXNPFEDSA-N 444.488 2.593 0 40 IFAB COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 226021087 JKSBYGXUVYDCMR-UHFFFAOYSA-N 427.320 2.741 0 40 IFAB CCc1ccc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260899468 LFBHJXPFGZWINA-IBGZPJMESA-N 432.542 2.751 0 40 IFAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccc(OC)cc3)CC2)C1 306124333 BMTYZXCXRCVGMH-UHFFFAOYSA-N 448.527 2.922 0 40 IFAB C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 306144990 ZUBCFACKRSREFP-SLYNCCJLSA-N 440.569 2.634 0 40 IFAB Cc1ccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1NC(=O)CN1CCCCC1 520870434 JJHRWMHQUPWGLG-UHFFFAOYSA-N 449.515 2.661 0 40 IFAB O=C1NC[C@H]2CN(c3nnc(Cn4ccc5ccccc54)n3CCc3ccccc3)CCN12 549559598 VWDJSTCVJCUHQW-NRFANRHFSA-N 441.539 2.738 0 40 IFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)c12 578921963 HGPPYJKDZGPVBC-UPCLLVRISA-N 446.511 2.537 0 40 IFAB O=C1C[C@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CN1c1ccccc1F 644708095 PIOJWRRWRHSSCQ-AWEZNQCLSA-N 436.892 2.707 0 40 IFAB O=C1C[C@@H](NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CN1c1ccccc1F 644708099 PIOJWRRWRHSSCQ-CQSZACIVSA-N 436.892 2.707 0 40 IFAB Cc1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)nn1-c1ccc(Cl)cc1Cl 678954466 YVIIKWVDHMWJRD-IAQYHMDHSA-N 445.372 2.887 0 40 IFAB Cn1c(N2C[C@H]3CN(C(=O)c4cncc(Br)c4)C[C@@H]3C2)nc2ccccc21 1888901166 GSPZETZKTZDUHS-HUUCEWRRSA-N 426.318 2.939 0 40 IFAB COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCCCC3)c(=O)[nH]c2cc1OC 1222817 KQRFKRWOEUGMQT-IBGZPJMESA-N 426.521 2.862 0 40 IFAB COCCOC(=O)c1sc2ncn([C@@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c2c1C 1980641 XQPBGJVQBRMTND-LBPRGKRZSA-N 433.461 2.908 0 40 IFAB CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)CCC(=O)NC[C@@H]1CCCO1 6600274 JUXPMBFXZHIROH-INIZCTEOSA-N 447.532 2.846 0 40 IFAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8709136 GKIHHKKQLCOTHL-ZWNOBZJWSA-N 444.376 2.623 0 40 IFAB Nn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 8719388 FAEOXGBEWGAIAK-UHFFFAOYSA-N 428.949 2.753 0 40 IFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 9465592 LSENVHKZQXJWCQ-JBEBIEQOSA-N 435.480 2.741 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc(Cl)ccc2c1=O 9703891 SDTHRLXILAXHCX-UHFFFAOYSA-N 446.916 2.526 0 40 IFAB Cc1cc(C)cc(N2C(=O)[C@@H]3N=NN(CC(=O)NCc4ccc(Cl)cc4)[C@H]3C2=O)c1 9748263 BPMSTXSKQLSXFT-RTBURBONSA-N 425.876 2.566 0 40 IFAB COc1cccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2OC)c1 10299955 PQVODBQLYSTOEU-LJQANCHMSA-N 448.541 2.503 0 40 IFAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10625474 ULRVXFZYPXNCQY-AWEZNQCLSA-N 429.498 2.708 0 40 IFAB CN(C)C(=O)[C@H]1CN(CCCOc2ccccc2F)C[C@@]12CCc1ccccc1C(=O)N2 12125804 OGVIRLGUBMWFDM-NLFFAJNJSA-N 439.531 2.730 0 40 IFAB COc1ccccc1CC(=O)N1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 12188611 RQSWFCNBYLFLKO-UHFFFAOYSA-N 441.553 2.680 0 40 IFAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccccc1I 12814444 ULKIINTXWQJQMI-UHFFFAOYSA-N 427.223 2.808 0 40 IFAB C[C@H](NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1Cl 12902294 MAKBVMRDCVTTEL-NSHDSACASA-N 442.299 2.578 0 40 IFAB O=C(CN1CCCC1=O)N1CCC(c2nc3ccccc3cc2C(=O)N2CCCC2)CC1 13267618 PBBSINJFWOMAGI-UHFFFAOYSA-N 434.540 2.799 0 40 IFAB COCCNC(=O)[C@H](c1cccs1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 13508621 KOFJUXZMHKBFSP-NRFANRHFSA-N 443.573 2.871 0 40 IFAB COC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 13566246 KIIAATQUOCCMIB-HXUWFJFHSA-N 445.903 2.928 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 15791393 XKHDGHWGCVKOBV-UHFFFAOYSA-N 435.977 2.926 0 40 IFAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@@H]24)O3)cc1 15894301 CJOSQSGPEHYFBB-JCUDRXCFSA-N 433.464 2.579 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1 17167779 XRWJCUARECRGOW-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB O=C(CSc1ccc2c(c1)OCCCO2)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 19297877 HDHTVDNSECVYBA-INIZCTEOSA-N 425.572 2.898 0 40 IFAB C[C@H]1CN(c2nccc(CN3CCC(c4nc(-c5cccnc5)n[nH]4)CC3)n2)C[C@@H](C)O1 19497686 LOOUJUZVQXJWHC-CALCHBBNSA-N 434.548 2.650 0 40 IFAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O 19699756 OJRKXRZKBGUADB-LJQANCHMSA-N 446.592 2.661 0 40 IFAB COc1cc(CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)ccc1OC(F)F 20004336 UWOGSMDLPJQPRH-UHFFFAOYSA-N 426.441 2.702 0 40 IFAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2ccc(F)cc2Br)CC1 22547433 ZMHSSOYHABFTRS-UHFFFAOYSA-N 434.375 2.827 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 22703894 ARXJZSYVIYFCIB-HXUWFJFHSA-N 448.541 2.606 0 40 IFAB O=C(CCN1C(=O)COc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 23882722 WYHSIDXUNBEOHN-UHFFFAOYSA-N 436.537 2.756 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNCCN(C(C)C)C(C)C)c1 25436397 PRISMSABXMWTIX-UHFFFAOYSA-N 426.627 2.672 0 40 IFAB COc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 32901733 BPJJKDCESJCDLT-LSDHHAIUSA-N 430.457 2.719 0 40 IFAB O=C(c1ccc(S(=O)(=O)NCc2cccs2)o1)N1CCN(c2ccccc2F)CC1 35597418 YVUSAGQDDIDJMJ-UHFFFAOYSA-N 449.529 2.921 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1OC)C(=O)OC 36597203 IMHMHQBFJNVXRB-IXDGSTSKSA-N 430.505 2.672 0 40 IFAB biogenic O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCCOc1cccc(Cl)c1 40113620 FRNWYPPCWDVXKR-JOCHJYFZSA-N 427.888 2.619 0 40 IFAB CN(C)CCn1nnnc1SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 40151914 LOVCVCRHWYFSEB-UHFFFAOYSA-N 448.556 2.818 0 40 IFAB COC(=O)CNC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)cc1 43745880 HDHKWQZKZFARNP-UHFFFAOYSA-N 426.860 2.989 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(SCc3cc(F)ccc3F)s2)CC1 48984790 UDDAQYWXNJELDG-UHFFFAOYSA-N 448.542 2.719 0 40 IFAB CN1CCCN(c2ccc(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)cn2)CC1 58184337 ASDDDDCAVPHENV-UHFFFAOYSA-N 433.512 2.999 0 40 IFAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)NC4(Cc5ccccc5C4)C3=O)ccc2c1 58232137 VMIAKXZDVSXJNF-UHFFFAOYSA-N 443.503 2.896 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)Cc2ccccn2)n1 72391872 CDIADZOHTXDOSR-LJQANCHMSA-N 444.539 2.631 0 40 IFAB O=C(NCCCN1CCOCC1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 72394546 KQHRIRKJQLFUPV-UHFFFAOYSA-N 449.498 2.798 0 40 IFAB CN1C(=O)[C@@](O)(CC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c2ccccc21 100283393 OTFKXOZYJSBULY-FUMQJTLXSA-N 432.476 2.803 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)CC1 195529580 QDBMTCJGDUIWFK-HFMPRLQTSA-N 444.620 2.520 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222462443 ZPBITAYGEQOORQ-IBGZPJMESA-N 445.585 2.541 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCOc2ccccc2Cl)s1)c1ccccc1 223293477 SXACODBGFLYZNH-UHFFFAOYSA-N 438.918 2.801 0 40 IFAB Cc1cc(C)cc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 224092769 WMJWTCWDJAOBNM-IBGZPJMESA-N 438.933 2.679 0 40 IFAB COC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515714 MXNGOLUEEXBSTG-LMMKCTJWSA-N 439.942 2.927 0 40 IFAB Cc1cc(C)n(CC(=O)NC[C@H]2C[C@@]3(C)[C@@H](O)CCCC[C@H]3N2C(=O)OC(C)(C)C)n1 257256915 KNJPPUFTPYHREM-CROMWVBPSA-N 434.581 2.935 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)C2(c3cccc(C)c3)CCOCC2)CCN1Cc1ccccc1 257330003 XMJPAMXWIJODNW-HSZRJFAPSA-N 435.568 2.502 0 40 IFAB Cn1nccc1[C@@H]1CN(C(=O)Cc2ccccc2)C[C@]12CCCN(Cc1ccncc1)C2=O 306137320 QSTLWJNJQVHHGE-BKMJKUGQSA-N 443.551 2.793 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)C2)cc1 408558002 PRTAROKITPBZBK-QGZVFWFLSA-N 446.525 2.911 0 40 IFAB C[C@]1(c2cccc(C(=O)N3CCC[C@H](c4n[nH]c(-c5ccccc5)n4)C3)c2)NC(=O)NC1=O 540850906 IVZBEBJZHMNYII-BXKMTCNYSA-N 444.495 2.546 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(C(F)(F)F)c2)C1 585283127 CDWUVPMMKFEUEZ-RBBKRZOGSA-N 436.474 2.752 0 40 IFAB COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl 1190381201 BKXVHIUYGUKEGS-OAHLLOKOSA-N 428.359 2.591 0 40 IFAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nnnn32)cc(OC)c1OC 646457 VOZRLNPYBXJLPL-LJQANCHMSA-N 436.472 2.935 0 40 IFAB O=C(Nc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007741 SBOOQYPTNALAIL-UHFFFAOYSA-N 425.872 2.975 0 40 IFAB COCCN(C(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3344968 QWUVOORUPHIUNO-UHFFFAOYSA-N 444.491 2.614 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)N=C(O)N(c3ccccc3F)C2=O)cc1 3626892 ULVALYAYYZUZCL-MRXNPFEDSA-N 431.367 2.632 0 40 IFAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 4001750 DNUSTIOGQIABCF-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3cccnc32)cc1Cl 8604965 HPRIMYOHMHZHTJ-UHFFFAOYSA-N 430.892 2.905 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccc(Cl)cc1 8927440 JNHPKHPSBNXSAZ-CYBMUJFWSA-N 435.263 2.913 0 40 IFAB O=S(=O)(c1ccc(OCCOc2cccc(Br)c2)cc1)N1CCOCC1 9054455 QTLXDSFHVYMIIV-UHFFFAOYSA-N 442.331 2.928 0 40 IFAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(Cl)cc1 9665535 CXWUOJRJLUGNBL-UHFFFAOYSA-N 441.864 2.540 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCn1cnc2c(C)cccc2c1=O 10411264 YOAVHLQLNDTKEK-UHFFFAOYSA-N 442.541 2.683 0 40 IFAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 11904656 LXYCFQDNXOKUFB-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB O=C(Nc1nnc(-c2ccno2)o1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 12234626 UCKRCYQQIURNEI-SECBINFHSA-N 443.894 2.621 0 40 IFAB COc1ccccc1-n1c2c(cc(C(=O)NC3CCN(C)CC3)c1=O)C(=O)CC(C)(C)C2 12402466 FFYADSCQUGZMMB-UHFFFAOYSA-N 437.540 2.825 0 40 IFAB C[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1 12602364 FIFWPKFEPIFJCO-INIZCTEOSA-N 428.558 2.676 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(COc2ccc(F)cc2)no1 12799971 HWGQQCPUYSFLQF-UHFFFAOYSA-N 439.447 2.673 0 40 IFAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1=O 12814890 OXMFRBHMELASSQ-KRWDZBQOSA-N 429.542 2.799 0 40 IFAB Cn1ccc(=O)n(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1=O 13016739 GRRZHIQWJXQRHD-UHFFFAOYSA-N 430.258 2.741 0 40 IFAB CCOc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13063514 KJYJVLLCLRBHFF-UHFFFAOYSA-N 431.558 2.940 0 40 IFAB CC(C)c1nc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nn1-c1ccccc1 14124603 XLMMZPBDGLSGOY-UHFFFAOYSA-N 441.557 2.671 0 40 IFAB Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 16839484 MUBKEFKJZRTFKE-UHFFFAOYSA-N 435.509 2.511 0 40 IFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(I)cc1 18114780 FCKZANBUQLLYCA-UHFFFAOYSA-N 441.269 2.875 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19528793 LTOVIMIRDQTAIR-LVXARBLLSA-N 433.552 2.729 0 40 IFAB COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4ccncc4)C3)nc(O)c2C1 19570618 GMSDZPDVNXLKLA-IBGZPJMESA-N 445.523 2.774 0 40 IFAB Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CCCN2CCc1ccccc1 19705758 ZIXCGEKYTCGQBI-UHFFFAOYSA-N 443.617 2.766 0 40 IFAB COc1ccccc1NC(=O)c1cnc(C2CCN(C(=O)CN3CCCC3)CC2)nc1C 19764052 BILGAWFNSAKJKY-UHFFFAOYSA-N 437.544 2.848 0 40 IFAB Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(C(=O)c3ccco3)CC2)n1 19899245 QFFXWNZIYGCVJR-UHFFFAOYSA-N 427.896 2.710 0 40 IFAB CCc1ccc(OC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 21675495 UTSAKBLUHZJZLE-UHFFFAOYSA-N 444.509 2.937 0 40 IFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 22246397 MXKWQNXKWLTOPT-KRWDZBQOSA-N 443.352 2.742 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 22271281 YJSIBJPQYINHJO-JOCHJYFZSA-N 439.537 2.686 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(Cn3ccccc3=O)o2)c1 24208621 QFDVUCXISUHDDL-AWEZNQCLSA-N 426.425 2.691 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 24954798 QYYCGFMITJNPFQ-FQEVSTJZSA-N 429.586 2.959 0 40 IFAB Cc1cccc(C(=O)NCCC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1 26081439 NHWWFTYOHSGMRG-UHFFFAOYSA-N 429.948 2.992 0 40 IFAB Cc1cc(=O)c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)nn1-c1ccc(Cl)cc1 30876919 LGQCPFBLRGNNFC-UHFFFAOYSA-N 440.887 2.822 0 40 IFAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCN(C(=O)c2ccco2)CC1 32745498 GOXHQDQWTHEZKB-UHFFFAOYSA-N 427.482 2.662 0 40 IFAB CN(C)c1ccc(C(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 32831405 UDEZNBUHZQBLPQ-UHFFFAOYSA-N 436.434 2.672 0 40 IFAB NC(=O)N[C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(Br)c1 32995820 WBRNOGURXGFMRV-HUUCEWRRSA-N 434.290 2.505 0 40 IFAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cc1 33445007 ZNJZDKVQQXOFEQ-GZTJUZNOSA-N 442.273 2.924 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1 35880506 MGSFTDAWOKSRAH-NONVJHHQSA-N 426.473 2.575 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)Oc3ccc(N4CCOC4=O)cc3)c(C)n2n1 40119330 YNRXQVJWUVLNTK-UHFFFAOYSA-N 427.486 2.958 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)c1 57426832 MGKYAYSLVUSKNP-OAHLLOKOSA-N 427.526 2.683 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)cc1 57490540 WOCAVHQWHMZNPQ-UHFFFAOYSA-N 439.468 2.678 0 40 IFAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 58166752 ULKSDRODGYXFLV-AWEZNQCLSA-N 429.908 2.797 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1C 64988664 CZNJEFVNRKDXAO-LJQANCHMSA-N 432.498 2.646 0 40 IFAB Cc1noc(C)c1CN1CCN(C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)CC1 71280398 QUCMSCOCJWXLPF-INIZCTEOSA-N 434.924 2.792 0 40 IFAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325513 FHCMTOXDZTYOTG-OAQYLSRUSA-N 430.892 2.892 0 40 IFAB Cc1cccc(C)c1OC[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(C)(C)C 79094373 SUJMJMWRYGHALG-SFHVURJKSA-N 431.558 2.711 0 40 IFAB COc1ccc([C@H](CNC(=O)CCC(=O)N[C@@H](C)c2ccccc2)N2CCOCC2)cc1 89905548 NHDAVPBWXWQGCW-CVDCTZTESA-N 439.556 2.842 0 40 IFAB COc1ccccc1N1CCN(C(=O)C[C@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 95472663 AGMKLYRRJNDBNH-GOSISDBHSA-N 440.935 2.858 0 40 IFAB COc1ccc(CCCN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)cc1F 96013599 YYULPHPJXZMPGR-UHFFFAOYSA-N 434.533 2.628 0 40 IFAB CCN1C(=O)C2(CCN(C(=O)N(C)C)CC2)CC12CCN(C(=O)Cc1ccccc1)CC2 96262383 GKJCUMMWXGWQPI-UHFFFAOYSA-N 440.588 2.606 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344259 YFJYUYZYERXWEV-KRWDZBQOSA-N 435.503 2.836 0 40 IFAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCC1(Cc2nnc3ccccn23)CCCCC1 96345175 LCHKQWGCCSWQCJ-UHFFFAOYSA-N 448.571 2.864 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)s1 97138649 CNJYUQMFUUQPRD-SFHVURJKSA-N 437.525 2.518 0 40 IFAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 100262054 LRHOREJRTCMJCN-SMTRIPRVSA-N 447.443 2.619 0 40 IFAB CC(C)(C)c1ccn(OB(On2ccc(C(C)(C)C)n2)On2ccc(C(C)(C)C)n2)n1 198713156 RLNFNGJGCIIRMW-UHFFFAOYSA-N 428.346 2.840 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1C 218791228 ONRDXVIKIBLOGO-IBGZPJMESA-N 432.498 2.728 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220085981 IJCXCBLABOMECQ-CYBMUJFWSA-N 439.484 2.898 0 40 IFAB CN1CCC(Oc2ccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 223259658 XMMGSVZGXJBPNX-UHFFFAOYSA-N 431.558 2.560 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224331460 FOHCDCPSJBJQMM-UHFFFAOYSA-N 436.438 2.686 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 224594009 ODJDADLTJAVSJA-UHFFFAOYSA-N 432.527 2.628 0 40 IFAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1OC 225162172 ORABWERIVOYORO-UHFFFAOYSA-N 448.526 2.595 0 40 IFAB COc1ncccc1CN1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccc1)C2=O 306130715 JNPHDWDPXPAZBL-JYFHCDHNSA-N 444.535 2.882 0 40 IFAB CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 306133320 MIJADIWKIAQMDL-XUZZJYLKSA-N 442.535 2.957 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)NCCCO 408554530 SYIJVMMFGKMBQS-UHFFFAOYSA-N 433.313 2.672 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)c1 408555361 ANTHSOWYJYSXFM-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cc(Cl)cc(Cl)c1 408602914 DDOGXIMFPHHAHI-UHFFFAOYSA-N 428.297 2.745 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408612776 YSFAWSPYSIAVJV-CQSZACIVSA-N 426.922 2.979 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc2ccccc12 408650791 BZEOSUQYDQLVJK-GOSISDBHSA-N 431.448 2.515 0 40 IFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)Nc1ccc(Br)c(Cl)c1 408667188 VFCKURZVVHALSU-NYZVLYBASA-N 428.666 2.782 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 409346530 NAUJAXUMIQBLPV-UHFFFAOYSA-N 439.497 2.734 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)NCc3nnc4n3C[C@@H](C(F)(F)F)CC4)cc2)co1 575616226 IZMTWTUWSSYMDO-ZDUSSCGKSA-N 441.435 2.845 0 40 IFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccc(N5CCCCC5)nn4)C[C@@H]3C2)nn1 1888863791 RDFJSTHXNHCLFR-ROUUACIJSA-N 435.576 2.763 0 40 IFAB CCn1c(CCC(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)nc2ccccc21 2037880232 WBOPRCKHQYJOGG-HSZRJFAPSA-N 425.508 2.671 0 40 IFAB COC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccc(OC)cc1)COC(C)(C)C3 1239735 TVNCODWHOJBGBR-UHFFFAOYSA-N 441.509 2.906 0 40 IFAB COc1ccc(CC2(CNc3ccc(C)cc3)C(=O)N(C)C(=O)N(C)C2=O)cc1OC 2448109 BOTHMVLMLUXIQS-UHFFFAOYSA-N 425.485 2.704 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 3486172 XHBXAGLXSLDVKQ-UHFFFAOYSA-N 440.905 2.703 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 3555569 FKNCMSOJYZXBLC-UHFFFAOYSA-N 429.498 2.585 0 40 IFAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCC[C@H]3CCO)c12 5477882 YBDRDFUWJHHRMP-INIZCTEOSA-N 431.533 2.847 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 8328250 XHBUKHULSUYUMV-IQMFZBJNSA-N 425.485 2.974 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1C 9262778 GFUFWJHEPQOFMV-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)o1 9431319 QHDCUYPPWQXTEJ-OAHLLOKOSA-N 442.331 2.945 0 40 IFAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9466583 QDCJPQSRZIVZLV-AWEZNQCLSA-N 436.946 2.924 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 9673281 DIDJBQWMNNSBSV-PEVDHWGLSA-N 434.602 2.951 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H]3c3cccs3)CC2)cc1 9740095 YYSICAAPVSYVNX-IBGZPJMESA-N 433.599 2.727 0 40 IFAB CN(C)[C@H](CNC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1)c1ccco1 9767934 XURFDUIKGGOEQY-CYBMUJFWSA-N 426.370 2.738 0 40 IFAB CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696153 MSJGBHCZCMZACM-MRXNPFEDSA-N 442.541 2.915 0 40 IFAB Cc1ccc(CNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)cc1 12086526 FVGDPJFKKQMKKR-BVZFJXPGSA-N 434.540 2.872 0 40 IFAB COC(=O)c1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1cccc(OC)c1 12293251 WQPHZZAISMYDAO-UHFFFAOYSA-N 433.877 2.842 0 40 IFAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cs1 12795768 MBWMFSTXZVCZFV-UHFFFAOYSA-N 439.518 2.852 0 40 IFAB CN(Cc1ccco1)C(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12899886 PXDLQYZNDVOGEX-UHFFFAOYSA-N 446.356 2.551 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@H](C(=O)OC)c3ccccc3Cl)CC2)c1C 12929388 CCRMYICBWFCLIQ-IBGZPJMESA-N 447.919 2.744 0 40 IFAB CCN(c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 13585269 HSOJSDGDIGAUBO-FQEVSTJZSA-N 432.542 2.884 0 40 IFAB Cn1c(CNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(NC(=O)c3cccnc3)ccc21 13692136 KUHIYAOLZJYXNJ-NRFANRHFSA-N 443.463 2.677 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)Nc1ccc2c(c1)OCCO2 13705763 VLPYLBGZWMQYBK-UHFFFAOYSA-N 432.440 2.763 0 40 IFAB OCCOCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 13861678 JWFSUEASTFEYFJ-UHFFFAOYSA-N 427.570 2.873 0 40 IFAB in-vitro CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 15858455 JSBBZYYZVPBGIA-LLVKDONJSA-N 435.889 2.863 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CN(C)CC4)cc2)CC1 15880108 GUXNQHAANAYSIR-UHFFFAOYSA-N 434.587 2.804 0 40 IFAB O=C(Nc1ccccc1N1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 18839851 YWKHLGVANLHOGB-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2n[nH]c(=O)c3ccccc23)nc1C 19765516 PTANURWSBUQEJM-LJQANCHMSA-N 448.527 2.871 0 40 IFAB O=C(NCCCc1ccccc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 20744315 MPKDQQCIOZIHTL-UHFFFAOYSA-N 435.933 2.567 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 21094210 ACNAACZURBJMTP-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB CCCc1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 22754337 BLLPWDIITDWBRC-UHFFFAOYSA-N 442.541 2.641 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 22772497 MQWARUZKATWBIK-INIZCTEOSA-N 427.501 2.536 0 40 IFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCN(C(=O)c4ccccc4F)CC1)(C3)C2 26210998 ZCZDEUCYEYKFBO-ISVJADKWSA-N 427.520 2.585 0 40 IFAB C[C@@H](NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccc(S(N)(=O)=O)cc1 32862983 LFQANQQCUDBCRQ-CYBMUJFWSA-N 442.994 2.637 0 40 IFAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCCCC2)C1=O 35085862 GQSNIPZDWXFLBV-ATVHPVEESA-N 432.498 2.677 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35375087 XFGCKMHBTHYXGS-FZCZDDNOSA-N 447.535 2.771 0 40 IFAB O=C1N[C@H](CCC(=O)N2CCN(c3ccccc3Cl)CC2)C(=O)Nc2ccccc21 35598221 OWASPUKJADRXDJ-GOSISDBHSA-N 426.904 2.520 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCN(C)CC1 36569532 HTCWSXRPGXUFAC-LJQANCHMSA-N 425.558 2.615 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 38772615 RJETZBQSTYUEFH-GOSISDBHSA-N 446.569 2.821 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1OC 40162378 RGBWBNCSICHOME-GFCCVEGCSA-N 428.457 2.528 0 40 IFAB CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3ccc(CC)cc3)ccc2=O)CC1 41254015 QGKZUWTZINMQSC-UHFFFAOYSA-N 426.517 2.600 0 40 IFAB C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 72286675 GUJXRCHJXAGPQO-HZAQMHFWSA-N 428.602 2.893 0 40 IFAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cc3c(cc2[nH]c1=O)OCO3 79189314 VVEAUEIOLRLSJI-GHTZIAJQSA-N 447.399 2.819 0 40 IFAB biogenic Cc1ccc(NC(=O)NC[C@@H]2COC(C)(C)O2)cc1NC(=O)NC[C@H]1COC(C)(C)O1 84186115 LAJGAPUAKVIKJB-CVEARBPZSA-N 436.509 2.541 0 40 IFAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CCO2 90607296 ZKTLCIBQBCVZFF-KRWDZBQOSA-N 437.418 2.878 0 40 IFAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4[C@H]3Cc3ccccc3)ccc2[nH]1 95445249 UMQJLOGKWWAFBL-JOCHJYFZSA-N 447.516 2.747 0 40 IFAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(Cc3ccco3)CC2)Nc2ccccc21 100117627 HXLRSHTYWMWOBI-FHHVHTCRSA-N 434.540 2.912 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 106088834 YAOHMCBUQAKYRN-OJLQRUNKSA-N 426.561 2.501 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)Cc1ccccc1 225884181 VXPGRSJAGPCVRZ-UHFFFAOYSA-N 429.542 2.713 0 40 IFAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 253399502 JNEHSIUTRFZXFD-NRFANRHFSA-N 441.597 2.615 0 40 IFAB biogenic,in-vitro O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(Cc3ccncc3)CC2)Oc2ccccc21 253616704 OBDFZWDFKFNIEJ-RVNGOIKDSA-N 446.551 2.681 0 40 IFAB Cc1nc(CN2C(=O)C3(CCN(S(=O)(=O)C4CC4)CC3)Nc3ccccc32)cs1 306122948 AAFDCFFYFSJYPP-UHFFFAOYSA-N 432.571 2.737 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1 408562019 XAWJDBOOODYDFS-NSHDSACASA-N 428.894 2.671 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC(C)(C)C)cc1OC 408775262 FSWNGYQMHOKNJF-UHFFFAOYSA-N 434.558 2.852 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CCN2C)c1 585261875 GRXSNPYGEPGVQY-QHCPKHFHSA-N 435.568 2.918 0 40 IFAB COCC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 585288226 YWXVWKOYFYHLHM-JOCHJYFZSA-N 426.504 2.588 0 40 IFAB COc1cc([C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)nc(O)c32)cc(OC)c1OC 670416171 VJYACQPNCKGJQP-AWEZNQCLSA-N 428.489 2.918 0 40 IFAB O=C(CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1cc2ccccc2s1 1632772679 PIIGLUDCFNUZLH-SJLPKXTDSA-N 440.496 2.544 0 40 IFAB CCc1ccc(OC[C@@H](O)Cn2c(SCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 727073 VSFXMJBHPGIZBR-INIZCTEOSA-N 446.573 2.564 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 2627365 NPTYLJSWPLOIEZ-KRWDZBQOSA-N 433.555 2.776 0 40 IFAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 3175177 VWETTZSKCSVEHV-HXUWFJFHSA-N 433.961 2.842 0 40 IFAB COc1ccc(CCNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1OC 8877888 GINXNJAUPLDVAU-UHFFFAOYSA-N 429.469 2.891 0 40 IFAB biogenic O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8882863 ZJACGBMMGVKYGS-QFIPXVFZSA-N 444.553 2.532 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 9120154 WQPLIWVROQOPTM-UHFFFAOYSA-N 433.580 2.909 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(CC(C)C)c2=O)cc1F 9129883 SZHYSRMEABOFMY-UHFFFAOYSA-N 429.496 2.758 0 40 IFAB COc1ccc(C(=O)N[C@@H](C)c2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 9263347 SJAQQUNFTXYADC-RYUDHWBXSA-N 446.558 2.891 0 40 IFAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCN(C(C)=O)C2 9383215 IVOQHWUQRNRCEE-UHFFFAOYSA-N 430.482 2.853 0 40 IFAB Cc1cccc(CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1 9518682 MMSDTBZFNFTHJI-UHFFFAOYSA-N 446.554 2.851 0 40 IFAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(-c4cccc(OC)c4)n3C)nc2c1 9716145 VENKTHAQZNXJJJ-UHFFFAOYSA-N 437.481 2.806 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 10440740 XBAAAYHTGRKFQO-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 11358262 WAHFSBHBHORZBE-ZDUSSCGKSA-N 433.511 2.577 0 40 IFAB O=S(=O)(NC1CC1)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 12561098 LSBZVONISJDCRH-UHFFFAOYSA-N 431.333 2.691 0 40 IFAB COc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)no2)cc1OC 12638956 JEJBBFKSPYVMAY-UHFFFAOYSA-N 445.497 2.539 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3Cl)CC2)cc1 12892001 WFTYHAHWABQZLP-UHFFFAOYSA-N 428.963 2.780 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1cccs1 13040301 ORZXHYIMFIFNIM-AWEZNQCLSA-N 427.979 2.585 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 13137928 PCEQDBQRDQNZRI-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB COc1cc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OC(C)=O 13776715 OBFOHDKGFFQJSZ-XMFMUOABSA-N 425.491 2.865 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc2ccccc12 14701310 NPYQENIGERJCNR-UHFFFAOYSA-N 445.928 2.839 0 40 IFAB CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 15582474 PUOFQJMNCHRYTF-LLVKDONJSA-N 430.552 2.829 0 40 IFAB CN1CCC(N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCc4ccccc4)cc3)C2)CC1 15671890 VXAXIGOICLJEGZ-JWQCQUIFSA-N 437.584 2.915 0 40 IFAB biogenic,in-vitro O=C(NCc1ccc2c(c1)OCO2)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 17200688 OYIBWMPPRFNCIY-OAQYLSRUSA-N 437.477 2.748 0 40 IFAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)NCCc1c[nH]cn1 19369831 YNCXMXBNNHAWOO-UHFFFAOYSA-N 426.480 2.583 0 40 IFAB Cc1nn(CC(=O)N2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c(C)c1C 19556423 OMJDLIOEZHGREM-VWLOTQADSA-N 446.555 2.602 0 40 IFAB COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4ccncc4)C3)nc(O)c2C1 19570615 GMSDZPDVNXLKLA-LJQANCHMSA-N 445.523 2.774 0 40 IFAB CCOCc1ccc(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19692691 QVRRBFJURVXSHO-NRFANRHFSA-N 448.527 2.750 0 40 IFAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)COc1cccc3c1OC(C)(C)C3)C2 19707471 YOVQDWMXPSVKAA-KRWDZBQOSA-N 437.544 2.620 0 40 IFAB CC(=O)Nc1ccc(CN2CCC(c3ncc(C(=O)N4CCOCC4)c(C)n3)CC2)cc1 19766532 HRTAMHBLXNOHLN-UHFFFAOYSA-N 437.544 2.595 0 40 IFAB COc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 20716536 JDSGAZUCTVTHCF-OAHLLOKOSA-N 449.429 2.613 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)n2N)c(OC)c1 21576504 SLQLIXZRYSRXBK-SFHVURJKSA-N 439.541 2.962 0 40 IFAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 22516680 MIMQBGONAXPBDF-UHFFFAOYSA-N 446.510 2.506 0 40 IFAB CCn1c(CCC(=O)NCCc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 22836412 YVSNHFFEBLBMPJ-UHFFFAOYSA-N 428.558 2.598 0 40 IFAB CC(C)[C@@H](CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 26302124 ILACQYVNNXBJBD-LJQANCHMSA-N 428.499 2.894 0 40 IFAB O=C(NCc1ccccc1COc1ccccc1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 30510951 BKDVVTMSJRHIIC-UHFFFAOYSA-N 442.475 2.929 0 40 IFAB C=CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] 33379355 LEWVHPLWJLBWIY-ZROIWOOFSA-N 427.369 2.632 0 40 IFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35363924 KORZJRHCDXYWAD-HRDDZIPVSA-N 442.519 2.930 0 40 IFAB COc1ccc([C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)c2c[nH]c3ccccc23)cc1 35392793 GXTJKXCSYCQTHH-JOCHJYFZSA-N 434.540 2.589 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)CC1 36383827 BEEMRKUWENENAP-UHFFFAOYSA-N 442.566 2.999 0 40 IFAB Cn1cc(-c2nc(C(=O)N3CCC(C(=O)NCCc4ccccc4F)CC3)cs2)cn1 40145333 WIELFNIOOHUHLD-UHFFFAOYSA-N 441.532 2.894 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccnc3N3CCCC3)CC2)cc1 48303684 OUMUDPMQCCHOHU-UHFFFAOYSA-N 444.557 2.730 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C(=O)O)cc1OC(F)F 60059997 DALZABNDSSOMEN-UHFFFAOYSA-N 445.396 2.957 0 40 IFAB CC(=O)Nc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 60213983 FFBOEQHIOCKBGE-OAQYLSRUSA-N 426.860 2.630 0 40 IFAB COc1cccc(CNC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)c1 67235615 WUMILALVOUHGRD-UHFFFAOYSA-N 432.480 2.736 0 40 IFAB Cn1nc(C2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n(C2CC2)c1=O 77154365 CLCCEOVXEAEMNJ-UHFFFAOYSA-N 439.438 2.633 0 40 IFAB O=C(NCCCCn1cnnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 78933941 NRWDYZDNTLWFOY-UHFFFAOYSA-N 439.969 2.706 0 40 IFAB Brc1ccc(Cc2noc([C@H]3CCCN3c3ccc4nnnn4n3)n2)cc1 95394831 ZAZOMLMQOCAUSV-CYBMUJFWSA-N 427.266 2.597 0 40 IFAB CN(Cc1ccc(Br)cc1)C(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 95412668 ASQDHCHNUWMDCY-UHFFFAOYSA-N 428.290 2.686 0 40 IFAB O=C1[C@@H]2C[C@@H](CN2S(=O)(=O)Cc2ccccc2)Oc2ccccc2N1Cc1cccnc1 96111667 GJHCGNZEULDWNI-UNMCSNQZSA-N 449.532 2.980 0 40 IFAB biogenic,in-vitro CC1(C)CC(Nc2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)CC(C)(C)N1 101702744 QFKDFZNTCAPSDC-UHFFFAOYSA-N 430.980 2.984 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 113949762 RORXIDPXNYBRMH-OAQYLSRUSA-N 448.564 2.761 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220328484 PBSSYVGFMJBDRR-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)cc1 223111348 ZVEUUBUAGNYVRD-KRWDZBQOSA-N 432.498 2.787 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223562178 CFVWKTICMUSPTC-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224106571 AZNHDCZCVHQYSD-OAQYLSRUSA-N 445.585 2.705 0 40 IFAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244393 OWSOLNXTRYLBJP-NRFANRHFSA-N 434.558 2.906 0 40 IFAB CCOc1ccc(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1OC 225086224 FEHTXGORVIFJMR-UHFFFAOYSA-N 446.525 2.658 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225223715 FSJFJYZWYBLLAD-IBGZPJMESA-N 445.585 2.541 0 40 IFAB Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)ncn1 257207224 BGWHQGZIVABRHN-SFHLNBCPSA-N 432.572 2.911 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 260826467 BDXMRPJOPOUUOZ-DNVCBOLYSA-N 448.541 2.888 0 40 IFAB Cc1nc(CN2C(=O)C3(CCN(C(=O)N4CCOCC4)CC3)Nc3ccccc32)cs1 306142198 WSPUPTCMGAAFGN-UHFFFAOYSA-N 441.557 2.697 0 40 IFAB Cc1ccc(CNC(=O)c2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n3ccccc23)cc1 306142729 XHTUABMXCZAGFF-GOSISDBHSA-N 426.542 2.712 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 409142453 LMGOEXAFDFASOH-MRXNPFEDSA-N 447.557 2.874 0 40 IFAB C[C@@]1(c2cccc(C(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)c2)NC(=O)NC1=O 543927356 LYASGRLWKGTVHB-UTKZUKDTSA-N 447.413 2.974 0 40 IFAB C=CC(=O)Nc1cccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)c1 1153610193 WVWHBGAOCVTJJV-GOSISDBHSA-N 428.286 2.887 0 40 IFAB Cc1cc(F)cc(CN2CCN3C(=O)OC4(CCN(c5ccnc(C)n5)CC4)[C@@H]3C2)c1 1549161956 LRRYWHDHZORKRA-FQEVSTJZSA-N 425.508 2.908 0 40 IFAB COc1cccc(C(=O)N2CCC(c3nc(=O)c4nnn(Cc5ccccc5)c4[nH]3)CC2)c1 1325155 ZSVWDMVLEVEKLN-UHFFFAOYSA-N 444.495 2.591 0 40 IFAB CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 1330205 HHGUKGHPQXHEEV-UHFFFAOYSA-N 425.532 2.812 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nc(C)c(I)c2C)cc1 1430020 NYRZHSQJSQSCAT-UHFFFAOYSA-N 427.242 2.920 0 40 IFAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cc(OC)ccc2OC)C1=O 2104416 OHRTXOUWZJACSY-RDPSFJRHSA-N 449.507 2.516 0 40 IFAB biogenic O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCC1=CCCCC1 2658358 IFRLYPSKSSAWJM-UHFFFAOYSA-N 446.525 2.922 0 40 IFAB aggregator O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3523962 DEQTUNLPWMIYGB-UHFFFAOYSA-N 432.505 2.936 0 40 IFAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C(=O)O)[C@@H]2C(=O)N(C)C)cc1OC 4777513 ZOQZQZZCOKBEKI-XGRCMKMKSA-N 443.496 2.814 0 40 IFAB O=C(CSc1ccc2ccccc2c1)OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8778243 ZAVVMTUFBRGVRN-SFHVURJKSA-N 433.551 2.653 0 40 IFAB COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1OC 9090201 ZVSQTJIUFQQDJD-DCGLDWPTSA-N 430.404 2.869 0 40 IFAB COC(=O)c1cccc(OC[C@@H](O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c1 9126570 KCAGYINEGRRXAN-INIZCTEOSA-N 425.428 2.955 0 40 IFAB COc1ccc(CN2C(=O)[C@](NC(=O)c3cccc(OC)c3)(C(F)(F)F)N=C2O)cc1 9346276 JECNJRRXHPHOFV-LJQANCHMSA-N 437.374 2.649 0 40 IFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)cc1 10295500 NWKSYBJSCQKCMU-IBGZPJMESA-N 433.428 2.556 0 40 IFAB CCOc1ccc(-c2nnc3n(Cc4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10970071 VUZUGJZPFKGKAK-UHFFFAOYSA-N 444.495 2.504 0 40 IFAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617783 GAQJLAWXAWDHER-CQSZACIVSA-N 432.933 2.521 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(SCCOc3ccc(Cl)cc3)nc2)CC1 12695846 XXEVSAQCVZSPDL-UHFFFAOYSA-N 427.979 2.842 0 40 IFAB COc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12734326 IUQWDPCQRICSJX-KRWDZBQOSA-N 443.569 2.517 0 40 IFAB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 12795307 NLNBXBJYOPDWDZ-SNVBAGLBSA-N 444.918 2.582 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 12858808 JLHGKSFLOVYNOY-UHFFFAOYSA-N 431.489 2.996 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCOC(C)C)C1 13566399 HSRSUHDVEXADEW-HNNXBMFYSA-N 432.970 2.681 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1C 13679308 PGHZCOVNSGKHHR-INIZCTEOSA-N 446.525 2.830 0 40 IFAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 14246903 FVNCNYRKGOYSJX-UHFFFAOYSA-N 442.534 2.573 0 40 IFAB CC(C)n1ncc2cc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cnc21 14250920 PTZCQMCQAXYDGG-MDWZMJQESA-N 439.541 2.771 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 17970782 XAFOMNVTBUDACH-QGZVFWFLSA-N 432.542 2.526 0 40 IFAB CC(C)Cn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nnc1N1CCOCC1 19353654 LKZZKVWVNJXVQB-UHFFFAOYSA-N 442.589 2.703 0 40 IFAB CN1CCN(C2(CNC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CCCCC2)CC1 20676610 ICMSONGRUQVEGD-GOSISDBHSA-N 432.996 2.759 0 40 IFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C(C)=O)s2)c(=O)[nH]c1=O 21588750 VZSAEQBDDBINRU-UHFFFAOYSA-N 430.486 2.623 0 40 IFAB COc1cccc(CCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 22337898 HOFCLBMMXNPTAQ-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB Cc1cccc(CN2CCN(CC(=O)N(C)CC(=O)Nc3ccccc3Cl)CC2)c1 22773838 XNFPCWFNFZTYNS-UHFFFAOYSA-N 428.964 2.863 0 40 IFAB COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(Cl)cc1 23038095 ZICVKOCZJFFBBI-UYTHQXMGSA-N 435.908 2.561 0 40 IFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1ccc(Cl)cc1 25336345 WCTOULJGZJZYFZ-UHFFFAOYSA-N 449.887 2.960 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 28714907 MZXKXYIEJLGIQF-LJQANCHMSA-N 430.464 2.516 0 40 IFAB O=C(CSC1=NCCS1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 29188669 NELXTKPZRFZWHM-UHFFFAOYSA-N 425.601 2.586 0 40 IFAB C[C@@H]1CN(C(=O)C2CCN(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)C[C@@H](C)O1 31127781 CBRMCVVELFZARQ-BRWVUGGUSA-N 431.533 2.576 0 40 IFAB CC(=O)N[C@@H]1[C@@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 35056768 FYTGFTLKWMSTHB-PCEJQYDGSA-N 425.437 2.516 0 40 IFAB O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccccc1C(F)(F)F 49409045 YWLHXELOWMXVID-UHFFFAOYSA-N 443.447 2.680 0 40 IFAB COc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)cc4)n3c2=O)cc1F 49410653 PXWNAQVTJLZTJZ-UHFFFAOYSA-N 440.410 2.869 0 40 IFAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccc4c(c3)OCO4)c2C)c(Cl)c1 71327466 WGTFCRAHDQWFLD-UHFFFAOYSA-N 441.875 2.846 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)n1 72334721 LDDZAEMZVMIQKC-IBGZPJMESA-N 426.484 2.843 0 40 IFAB CCN1CCN(C(=O)Cn2nc(C)nc2C)[C@H](Cc2ccccc2-c2ccccc2)C1=O 72351593 FHFLBKVFBCDPSR-HSZRJFAPSA-N 431.540 2.864 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN1CCc2nc(NC(=O)C3CC3)sc2C1 77191966 BZQILWOFZBKOPT-UHFFFAOYSA-N 428.514 2.665 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1cc3oc(=O)cc(C)c3cc1Cl)n2C 89955459 DVRFQDJGGNVTCE-UHFFFAOYSA-N 444.875 2.871 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 95950231 VXYUHHMQLXUBSP-UHFFFAOYSA-N 444.962 2.779 0 40 IFAB O=C(Nc1cccc(-n2cn[nH]c2=O)c1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 97141311 OYAJFUYAOAUABE-UHFFFAOYSA-N 434.477 2.787 0 40 IFAB COc1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC 216329405 LOKFRPKMPIJKSF-UHFFFAOYSA-N 426.922 2.748 0 40 IFAB N[C@]1(C(=O)O)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218242127 HWWKMWIHOCUIIC-IJEWVQPXSA-N 430.707 2.824 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 408661456 VWSZHWVUXZBSEW-HNNXBMFYSA-N 444.871 2.970 0 40 IFAB CN(Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1)S(C)(=O)=O 408705423 FJSMRMCKCPRGEX-UHFFFAOYSA-N 447.557 2.624 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 409204062 ACTMJAOTMLGPSX-UHFFFAOYSA-N 434.514 2.815 0 40 IFAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccccc3Cl)CCOCC1)C2 552367849 ROFLQBKRJXJYJW-UHFFFAOYSA-N 448.972 2.881 0 40 IFAB Cc1nnc(-c2cccc(C(=O)NCCCNC(=O)c3cccc(-c4nnc(C)o4)c3)c2)o1 561304205 UOTSJMQUKHVQTP-UHFFFAOYSA-N 446.467 2.953 0 40 IFAB O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 580371165 HKVAKBZORAQPFN-JOCHJYFZSA-N 429.517 2.686 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)Cc2ccccc21 643553674 CNLICOXPGUHDDK-UHFFFAOYSA-N 432.528 2.803 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1cccs1 627440 NDOYKVUMWCNHDG-GTVARFKMSA-N 440.546 2.868 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2cccs2)cc1 1077778 AJFBCUFBSOQSIS-MRXNPFEDSA-N 431.539 2.881 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CCNS(=O)(=O)c3ccccc3OC)C2=O)cc1 3341124 ZQNQJWDHRQYZKB-GHRIWEEISA-N 448.522 2.719 0 40 IFAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCN(C(=O)c2ccco2)CC1 4195151 YSQNWSYRQLMCSP-UHFFFAOYSA-N 428.460 2.758 0 40 IFAB CCN(CC)C(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 9238838 YZFNBONPRWVJSB-LSDHHAIUSA-N 440.367 2.985 0 40 IFAB COc1ccc([C@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC 9408880 QDGMPZMXICCCNO-LEEZEASISA-N 438.480 2.931 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)CC2=O)cc1 9453677 YQNYRUPFDOLVNH-REWPJTCUSA-N 449.551 2.788 0 40 IFAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2cn3ccccc3n2)C1=O 9516842 IDXPIXDYQYAECO-DEOSSOPVSA-N 427.464 2.571 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 9616469 GUGGKGJQDMHGHT-UHFFFAOYSA-N 447.447 2.620 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9637260 WRSDWZWKHGZYOC-UHFFFAOYSA-N 445.516 2.992 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9846762 AJKZQUIWYBLHGZ-INIZCTEOSA-N 445.516 2.992 0 40 IFAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccc(Oc2ccccc2)cc1 10049297 DJJXPMRLHHPBQV-UHFFFAOYSA-N 430.468 2.889 0 40 IFAB Cc1ccc2c(c1)C(=O)N[C@]1(CCC(=O)N(CC(=O)N[C@@H](C)c3cccs3)CC1)O2 12085690 VJYSNHLTFMZQPF-OYHNWAKOSA-N 427.526 2.765 0 40 IFAB CCn1nc(CCC(=O)N2CCC[C@@H]2c2cc3nc(C)cc(O)n3n2)c2ccccc2c1=O 12154075 MSLCBOKGCKDAFG-HXUWFJFHSA-N 446.511 2.769 0 40 IFAB CCN(C(=O)[C@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H]1CCS(=O)(=O)C1 12847424 AJRMNFKVAOTOAJ-HOCLYGCPSA-N 432.542 2.628 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(C2CC2)n1C 13109772 XQPHZNGKTARAGV-UHFFFAOYSA-N 449.602 2.906 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(N3CCCS3(=O)=O)cc1)C2=O 13296439 LVLSLLXEIHBRLH-UHFFFAOYSA-N 441.509 2.550 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1Cl 14410740 IZETZUYKXSTHAA-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB C[C@@H](c1nnc(SCC(=O)Nc2ccccc2O)n1C)N1C(=O)COc2ccccc21 15019121 UTZULAKGGPTOAP-ZDUSSCGKSA-N 439.497 2.738 0 40 IFAB COc1ccccc1NC(=O)CSc1c(CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 15883669 JDTJAXDOZXHDBA-UHFFFAOYSA-N 442.541 2.570 0 40 IFAB O=C(CN(Cc1ccccc1Cl)C(=O)c1csnn1)NCc1ccc2c(c1)OCO2 15936171 QUJZBOXHBVVPDX-UHFFFAOYSA-N 444.900 2.879 0 40 IFAB O=S(=O)(c1ccccc1F)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 16525244 MIWDDJHYGORFNQ-UHFFFAOYSA-N 426.897 2.852 0 40 IFAB COc1ccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c(OC)c1 19551894 KKILTWMHYIOQBZ-UHFFFAOYSA-N 426.498 2.930 0 40 IFAB CN(C)c1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19587767 ULLRGPLSFQEWMZ-UGKGYDQZSA-N 440.567 2.853 0 40 IFAB CO[C@H]1CCC[C@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)C1 19592634 JOBZURFOQVPGOJ-FHWLQOOXSA-N 439.512 2.835 0 40 IFAB CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccc(F)cc3F)CCO2)nc2ccccc12 19762759 QRFWQNMPEOXRAS-OAQYLSRUSA-N 441.434 2.852 0 40 IFAB COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4cnn(C)c4)CC3)nc2C)cc1 19764197 GZSXKPIECRRDDW-UHFFFAOYSA-N 434.500 2.799 0 40 IFAB CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCC(C)C)cc2c1 19822934 XVCXEERWMUXRBF-UHFFFAOYSA-N 430.618 2.755 0 40 IFAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccccc2Br)c1 21463032 NRCVYWWPBHNBHZ-UHFFFAOYSA-N 432.679 2.790 0 40 IFAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)Cc1ccccc1 29918190 VLSNOFAKOPXVJL-NRFANRHFSA-N 429.586 2.692 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)NCCSCc2ccc(Br)s2)CC1 30201720 MBPJKLQIHUMSRV-UHFFFAOYSA-N 441.438 2.532 0 40 IFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(C(=O)Nc2ccccc2)CC1 31744546 SMLPLGIITOFNDQ-UHFFFAOYSA-N 431.452 2.519 0 40 IFAB COc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 32901732 BPJJKDCESJCDLT-HUUCEWRRSA-N 430.457 2.719 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCc2ccccc2C1 34858774 ITOUUTHFFUZBOT-UHFFFAOYSA-N 449.576 2.731 0 40 IFAB CSc1ncccc1C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1 38633254 VKTBZPOCWMRUAQ-UHFFFAOYSA-N 447.582 2.765 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 44849249 URAKCTHNXZYJKD-UHFFFAOYSA-N 446.525 2.586 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 49548165 BEQLFJKKXMIGCR-NRFANRHFSA-N 445.567 2.707 0 40 IFAB O=C(CN1CCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1)Nc1ccc(F)cc1 58175402 IVYZJWUVHDFYCO-UHFFFAOYSA-N 433.867 2.647 0 40 IFAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1cc(Cc2ccccc2)ccc1O 70037905 DGXJFVLQKAZISJ-UHFFFAOYSA-N 431.540 2.715 0 40 IFAB O=C1N[C@@]2(COC3(CCN(C(=O)CCn4cnc5ccccc54)CC3)C2)Nc2ccccc21 72325307 BUMFETOXEDLWDL-VWLOTQADSA-N 445.523 2.760 0 40 IFAB COc1ccc2c(c1)C(=O)N[C@]1(CC2)CN(Cc2ccccc2)C[C@H]1C(=O)NCC1CC1 72334435 YFKJBFPQWOMPJK-JYFHCDHNSA-N 433.552 2.768 0 40 IFAB O=c1n(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)nc(C2CC2)n1-c1ccccc1 77198178 XWQQQCWHMFPHLY-UHFFFAOYSA-N 436.896 2.682 0 40 IFAB O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cn2cc(Br)cn2)o1 78820790 GMFNQKTXYFVWIC-AWEZNQCLSA-N 436.287 2.545 0 40 IFAB CN(CC(C)(C)CNC(=O)c1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)OCCO2 78976229 YHCMEZAROIZXPO-UHFFFAOYSA-N 440.496 2.757 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1 79020467 XCODDICSDTZMPE-GOSISDBHSA-N 432.565 2.608 0 40 IFAB COCCNc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 95464078 ZHKQJDWCDLCBHZ-QGZVFWFLSA-N 447.444 2.616 0 40 IFAB CCN(CCNC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(C)cc1 95471654 UJHQYOREPWWGBF-OAQYLSRUSA-N 431.558 2.555 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(-c4ccncc4)cs3)C2=O)cc1 96116703 GVSCGSQGMMFHHY-INIZCTEOSA-N 437.481 2.663 0 40 IFAB CSCC[C@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2[nH]1 96231745 UQGNOCQVMZVHGD-SFHVURJKSA-N 437.529 2.743 0 40 IFAB CS(=O)(=O)[C@](Br)(I)[C@H](O)c1cccc(Cl)c1 96520953 SKKXVTONIKCXNV-RKDXNWHRSA-N 439.496 2.902 0 40 IFAB CC(=O)O[C@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119230395 IRJWPUOTLSQRFN-MVLORIORSA-N 444.524 2.835 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 218792886 RNSNGSNSBQBBQA-NRFANRHFSA-N 432.542 2.751 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220085884 DBXBKEQBLKPHTB-UHFFFAOYSA-N 439.484 2.755 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCN(C)c2ccccc2)s1 222827794 NLNMHPYJCAWGNU-UHFFFAOYSA-N 445.570 2.904 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 223002400 PYRKVNCCSQQVTK-XMSQKQJNSA-N 426.513 2.787 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCCC2)c1)c1ccc(F)cc1 224654478 KEKVANPNHOIKPH-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB COc1cc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc(OC)c1OC 225573254 ISUKWPWQBSWMNJ-UHFFFAOYSA-N 439.559 2.595 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 226070566 QAJSUHFHJQNERQ-UHFFFAOYSA-N 448.541 2.759 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@H]1c1ccccc1 408880664 HTIIPEVEEDQIDE-PHJXOXRPSA-N 449.532 2.828 0 40 IFAB COc1ccc([C@H]2NC(SCC(N)=O)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 408977219 HSVVSRBIXBXZPD-HXUWFJFHSA-N 440.525 2.835 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c(C)c1 512179189 ITANCXRRYFQCMU-MRXNPFEDSA-N 444.431 2.986 0 40 IFAB OC1(COc2ccc(F)cc2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 585271071 GMIBHPXSSWQILH-UHFFFAOYSA-N 444.547 2.943 0 40 IFAB CC(C)n1c(O)nc2ccc(C(=O)N[C@H](C)CCNS(=O)(=O)c3ccccc3)cc21 1626111131 GXINWADOVLTCGN-OAHLLOKOSA-N 430.530 2.810 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)c2cc(C)nn23)c1 1772596429 HGEZFDFBPJTPLH-UHFFFAOYSA-N 438.528 2.987 0 40 IFAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1C(=O)c1ccccc1 3248224 XZFUVPWLGHJHLY-UHFFFAOYSA-N 446.459 2.652 0 40 IFAB COCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccncc1 6904739 XPJMZSNYGBEPKA-UHFFFAOYSA-N 441.513 2.894 0 40 IFAB Cc1nn(S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCCCC1 8755011 DHDYIDCBYFPDNA-UHFFFAOYSA-N 441.575 2.699 0 40 IFAB COc1cccc(C(=O)NCCn2ncc3c(N4CCCC4)nc(SC)nc32)c1OC 8946503 MRGSKCPFFPTYNN-UHFFFAOYSA-N 442.545 2.596 0 40 IFAB COc1ccc(N2C[C@@H](CNC(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2=O)cc1 9039196 HLZPGPYZCPOQKP-CQSZACIVSA-N 429.473 2.896 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 9297194 YADHSDUPGXGYHI-QGZVFWFLSA-N 441.919 2.647 0 40 IFAB COCCCn1c(C(=O)Nc2ccc(OC)cc2OC)cc2c(=O)n3ccccc3nc21 9451680 WVFSOIULHJDFKJ-UHFFFAOYSA-N 436.468 2.955 0 40 IFAB CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 9827449 PIXKORWPMJNMRU-UHFFFAOYSA-N 430.452 2.650 0 40 IFAB Cc1cccc(NC(SCC(=O)N2CCCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 9973865 PUGRGVOZAFWPSD-UHFFFAOYSA-N 444.557 2.805 0 40 IFAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029627 WXJBNCXJSWSMJE-HXUWFJFHSA-N 435.567 2.698 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc1 12228550 KLJSFHJRELRKDQ-UHFFFAOYSA-N 431.452 2.624 0 40 IFAB O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)NCCN1C(=O)CSC1=O 12476216 HRNFYMAZHNVFSY-UHFFFAOYSA-N 446.341 2.682 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCC1 12557045 NCHSWMXUOLSLNB-UHFFFAOYSA-N 446.497 2.949 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 12621468 FYKZPDFQPQJFOJ-UHFFFAOYSA-N 431.539 2.747 0 40 IFAB CCCCn1c(N)c(N(CC)C(=O)CSc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O 12974039 FPDOLZRFGBXFOM-UHFFFAOYSA-N 428.917 2.857 0 40 IFAB O=C(CCSc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 13002431 PFQDHUMTDDJXNT-UHFFFAOYSA-N 426.510 2.980 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 13112413 MRNCKORQDNDJAT-HNNXBMFYSA-N 446.525 2.596 0 40 IFAB O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1 13133744 ZDWBLBPQJRUNSJ-UHFFFAOYSA-N 442.730 2.852 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3OC(F)F)n2N)cc1 13137166 AAGJTPRCEUOAMW-UHFFFAOYSA-N 435.456 2.924 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1 14163466 ZWHNSJFQKPBYCP-FQEVSTJZSA-N 447.507 2.840 0 40 IFAB COc1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 15616965 QFALQOAUTFFGSY-OAHLLOKOSA-N 447.941 2.921 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)CC2)cc1 16230895 PTGLJKXKZRFENF-ULTLLFNZSA-N 430.526 2.958 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1ccccc1)NCc1ccc(F)cc1 17190618 VKIKXUQIYWREAP-UHFFFAOYSA-N 428.489 2.562 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](c3cccc(F)c3)c3nccn3C)ccc21 17522031 GWSDATIGIZBCJB-HXUWFJFHSA-N 428.489 2.536 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 19520493 CMDFXLGCPQCOPV-UHFFFAOYSA-N 441.513 2.648 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C)nn2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527328 QWBRTBWDWIWITD-HSZRJFAPSA-N 431.540 2.803 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)c4cccc(N(C)C)c4)CC3)c(=O)c2c1C 19561395 OXBVLZKJPBJQKD-UHFFFAOYSA-N 440.569 2.808 0 40 IFAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCCN(Cc2ccncc2)C1 19699952 ADNSHHYZMOKSCB-HSZRJFAPSA-N 447.583 2.675 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)c1c(C(C)C)noc1C)CC2 19711383 FSKZQVYSKXYVOS-UHFFFAOYSA-N 440.548 2.863 0 40 IFAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccn2)N1CCN1CCOCC1 20308166 RYSWXZGKGVCHIZ-IBGZPJMESA-N 425.872 2.719 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1C 20787597 VRULPJNKWFMJKE-XJKCOSOUSA-N 425.323 2.663 0 40 IFAB CCn1c(S[C@@H](C)c2nc(C)no2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 25060713 UVSVVGZSCXTSQA-LBPRGKRZSA-N 437.547 2.622 0 40 IFAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 32094957 OPGLOLYUTULGIH-AOMKIAJQSA-N 437.496 2.590 0 40 IFAB COC(=O)c1c(CC(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)[nH]c(C(C)=O)c1C 32776484 NPUHROPIDMXLLJ-WFASDCNBSA-N 426.469 2.764 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 35314534 YCOHIYTYHKCCQX-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB CCCCn1c(=O)n(Cc2coc(-c3cccs3)n2)c(=O)c2c1nc(CO)n2CCC 36689521 VCBGQSJNALXCIM-UHFFFAOYSA-N 443.529 2.827 0 40 IFAB O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 46781912 XKZFDWKDGXVGDA-IBGZPJMESA-N 448.541 2.942 0 40 IFAB O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)NCc1ccc(F)cc1Cl 49410799 WHIGNJHVSLJDIE-UHFFFAOYSA-N 444.829 2.883 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCC(O)CC3)c(=O)[nH]c2c1 57594693 FAPMUZPLKRJQOL-OAQYLSRUSA-N 438.532 2.575 0 40 IFAB Cc1cc(NC(=O)CN2CCN(Cc3c(C)noc3C)CC2)n(-c2ccccc2F)n1 65544950 WTPJGCQTABXCAZ-UHFFFAOYSA-N 426.496 2.681 0 40 IFAB O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1cccc(F)c1 71328419 XPOFDRLCBSNNHA-UHFFFAOYSA-N 437.387 2.570 0 40 IFAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72346125 MTEBWOOCICWQDM-INIZCTEOSA-N 449.477 2.783 0 40 IFAB O=NN(C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1 77311869 TXDRIMZKXCWKRC-VVIORFSUSA-N 434.439 2.757 0 40 IFAB in-vitro Cn1cc([C@@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)CCO2)cn1 79050486 YZBNAKVTMGSBDM-NRFANRHFSA-N 438.459 2.790 0 40 IFAB CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(c2ncccn2)CC1 95976775 PQZLVIGBIBGBDI-UHFFFAOYSA-N 427.530 2.636 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)Cc1ccccc1Cl 223632626 NXSFBXVZNNURDY-UHFFFAOYSA-N 449.960 2.976 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 226401475 NQAKXRMWKLZAAY-BLONOQDTSA-N 432.398 2.795 0 40 IFAB O=C(N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1)C(O)(c1ccccc1)c1ccccc1 257305868 SRWZRWNXXZEHGI-FQEVSTJZSA-N 442.519 2.683 0 40 IFAB CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc(OC)cc3)CC1)COC2 306134450 NNUMVSMBRGXGKG-KRWDZBQOSA-N 427.549 2.628 0 40 IFAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1cccc(N2CCCC2=O)c1 390828494 BFNIHJAFBKHXMF-KRWDZBQOSA-N 439.493 2.923 0 40 IFAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 408710287 WBVBCDRRXDLGIG-UHFFFAOYSA-N 445.475 2.909 0 40 IFAB O=C(NCc1ccccc1CN1CCC(O)CC1)c1cc(F)ccc1N1CCOCC1 530913966 GTLXXMOIFSIKJT-UHFFFAOYSA-N 427.520 2.549 0 40 IFAB O=C1COc2ccccc2CC=CC[C@]2(CCCN(C(=O)CCn3ccccc3=O)C2)CN1 2037819042 VTXMQBONEWRIAU-SANMLTNESA-N 449.551 2.545 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1cccs1 635041 HAAXBSWVXZCUNO-LYPXWFNGSA-N 440.546 2.868 0 40 IFAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)c1 929216 HXPOSJMJZDXGQA-UHFFFAOYSA-N 442.497 2.905 0 40 IFAB COc1cc(S(=O)(=O)N(Cc2ccccc2F)C2CCCC2)ccc1-n1cnnn1 1223513 HYIOSNDNAHIANZ-UHFFFAOYSA-N 431.493 2.944 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 2648919 YDCSMBLJSFTNKC-UHFFFAOYSA-N 440.504 2.627 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)C(C)(C)C 3342248 IMNIUWNKNUUMKT-HNNXBMFYSA-N 434.352 2.910 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 3430639 XBQXGLSPEDIIRE-UHFFFAOYSA-N 428.466 2.862 0 40 IFAB CCOc1cc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O 8438640 XECKZJRXQSHIAF-IHFIDZABSA-N 436.501 2.734 0 40 IFAB Cn1c(=O)oc2cc(S(=O)(=O)NCCOc3cccc4cccnc34)c(Cl)cc21 8971827 ZTSMRHNXHUNANH-UHFFFAOYSA-N 433.873 2.690 0 40 IFAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 9243377 UQTUDWXJDKHGPS-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB COc1ccc(Cn2nnnc2SCC(=O)Nc2ccc3c(c2)OCCCO3)cc1 9414594 KZSSRNQDXFNXPJ-UHFFFAOYSA-N 427.486 2.622 0 40 IFAB Cc1ccc2nc(NC(=O)CSc3nnc4[nH]c(=O)c5c(n34)CCCC5)sc2c1 9520470 LUPUCNNPLRSRRI-UHFFFAOYSA-N 426.527 2.945 0 40 IFAB COCCN(CCOC)C[C@@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 9550250 PMIOMZKXGWRFAW-OAQYLSRUSA-N 433.545 2.766 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cc2ccccc2o1 9582888 KMEJPRULOAPKPI-UHFFFAOYSA-N 443.510 2.607 0 40 IFAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9953525 UEHKUSLXRHGRAU-HNNXBMFYSA-N 449.602 2.908 0 40 IFAB O=S(=O)(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 10518358 VORHZBWBNUGEDQ-UHFFFAOYSA-N 431.333 2.691 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 11096226 DEZLQNLVPVBKQR-UHFFFAOYSA-N 429.904 2.770 0 40 IFAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 12085477 JHGIFOQVFDUDTF-DEOSSOPVSA-N 437.544 2.665 0 40 IFAB COC(=O)[C@H](CCSC)NC(=S)N1CCN(c2cc(C)c3ccccc3n2)CC1 12321249 LYPITUPPHKRVNS-SFHVURJKSA-N 432.615 2.834 0 40 IFAB CCSc1nnc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)cc2)s1 12599007 OJUPOEAWFJDNHW-CQSZACIVSA-N 444.604 2.990 0 40 IFAB CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1 12746568 XZAQOFWKJFIAHP-KRWDZBQOSA-N 427.929 2.810 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12855121 BPGXXZDAIQEJRP-OAHLLOKOSA-N 439.940 2.954 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(S(=O)(=O)c2ccc(C)cc2)C(=O)[C@]31C 12864354 XVOUSPNZQYMUCX-QFIPXVFZSA-N 439.493 2.909 0 40 IFAB biogenic C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12882360 VAZFWUVKEJFXHJ-INIZCTEOSA-N 431.533 2.648 0 40 IFAB CCCCn1c(=O)n(CC(=O)Nc2ccc(C)cc2)c(=O)c2c1ncn2Cc1ccco1 13040417 KLPDKHYBWLQQPG-UHFFFAOYSA-N 435.484 2.748 0 40 IFAB CC(C)C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 13113137 USYYELKQQXPAGF-HBMCJLEFSA-N 427.520 2.840 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(OCC(C)C)c(OC)c1 13156013 RJTHMSRUTVOLDT-LJQANCHMSA-N 443.496 2.787 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCC1 13557527 VSBNTDZVMZAYNZ-NPPFBWRTSA-N 447.626 2.943 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13572488 KBYNEFDHULKTTC-JJNNYRRPSA-N 434.334 2.624 0 40 IFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccc2Cl)c1 13649248 OPDFRSHODXBEFZ-UHFFFAOYSA-N 435.933 2.672 0 40 IFAB CCn1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 16838975 WQFMAQSJBUWYLJ-UHFFFAOYSA-N 447.539 2.633 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2-c2cccc(C)c2)NC(=O)N[C@H]1c1ccco1 18476914 LHWYUUDGRSRIRO-KRWDZBQOSA-N 440.485 2.527 0 40 IFAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)CCn1ccccc1=O)cn2C 19287122 VEHUWPXQKHNVEO-UHFFFAOYSA-N 431.496 2.821 0 40 IFAB O=C([C@@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 19405322 JALPJLODKMASBQ-FPOVZHCZSA-N 433.556 2.967 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)c3cnn(C)c3)nc21 19744336 FRNKHIVKLCUBTQ-IBGZPJMESA-N 446.511 2.594 0 40 IFAB COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(Br)c1OC(C)=O 20086581 DZIKZPDICAHMPI-AWEZNQCLSA-N 434.246 2.783 0 40 IFAB CSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)c1 20275301 WWTCYHJDWJNEOR-UHFFFAOYSA-N 437.521 2.835 0 40 IFAB O=C1N[C@H]2CCCC[C@@H]2N[C@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20512672 CXEOPBGOOGVGNI-HJOGWXRNSA-N 446.595 2.710 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O 22252050 PNCQWTNOGLUMQU-UHFFFAOYSA-N 438.502 2.759 0 40 IFAB C[C@@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C(=O)N1CCc2ccccc21 22501019 IZJGWZLGEUZTOL-SNVBAGLBSA-N 443.308 2.775 0 40 IFAB CCOc1ccc(CN2CCN(CN3C(=O)NC4(C3=O)[C@H](C)CCC[C@H]4C)CC2)cc1 22929834 AYWFUCMFKXESGH-RTBURBONSA-N 428.577 2.907 0 40 IFAB CCOC(=O)c1sc(NC(=O)N2CCN(c3cnccn3)CC2)c(C(=O)OCC)c1C 24742674 ZXAPDGXERUVYHQ-UHFFFAOYSA-N 447.517 2.554 0 40 IFAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 25058375 XPQRCAFBGUCHLP-MRXNPFEDSA-N 429.860 2.923 0 40 IFAB COc1ccc(C(=O)CCC(=O)N2CCN(CCOc3ccccc3)CC2)cc1OC 25180041 OPMUUHHCHXLNNE-UHFFFAOYSA-N 426.513 2.890 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O)C3 30903975 GFHFWGFKMHTSCF-JOCHJYFZSA-N 432.480 2.825 0 40 IFAB biogenic COCCN1C(=O)c2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2C1=O 32070417 QBDZAIPMHXDIDD-UHFFFAOYSA-N 442.899 2.706 0 40 IFAB CCC(C)(C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O 32745383 IYTQFPLILYRCHW-NSHDSACASA-N 442.379 2.937 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3nc4c(C)cccc4cc3C=O)CC2)cc1 32826104 LWMNMTDVVFRMOO-UHFFFAOYSA-N 425.510 2.875 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(N4CCCC4)c3)CC2)cc1 32902214 QZSOJZMRYCFDJT-UHFFFAOYSA-N 442.585 2.707 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)C(C)C)CC1 32986063 TXBXCDHDPXFSTR-QGZVFWFLSA-N 425.982 2.518 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2Cl)cc1 38771320 LYNPPVBCKLRDKG-UHFFFAOYSA-N 437.949 2.511 0 40 IFAB Cc1nc(-c2ccccc2)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1CCO 67300296 MLHUVPFXUBBVQG-UHFFFAOYSA-N 425.916 2.766 0 40 IFAB CN(C)CCNC(=O)Cn1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)n1 72291523 QMBVYFCWDOJVBM-UHFFFAOYSA-N 448.738 2.539 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2)c(=O)n1C 85878622 MZQCAPWRKLKYLO-SIKLNZKXSA-N 436.556 2.940 0 40 IFAB biogenic CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1 95381761 WHJWXDNYPVDKLV-QGZVFWFLSA-N 432.542 2.969 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)N[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1 95970128 XTEDWTVICROTBJ-GVEBYXHESA-N 444.509 2.879 0 40 IFAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O 96262668 DXECHWQFKSPDRO-DEOSSOPVSA-N 434.544 2.850 0 40 IFAB CCCC(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)nn3c(O)c2C1 100234485 SSKLXKHWFOYNEF-OAHLLOKOSA-N 427.549 2.872 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224257985 LWTKIIXSAOPISC-QHAWAJNXSA-N 439.556 2.580 0 40 IFAB COc1cccc(OC)c1CNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225948092 FAGOKPVTKVSWIB-INIZCTEOSA-N 426.922 2.654 0 40 IFAB Cc1cc(OC2CN(S(=O)(=O)c3ccc(Br)s3)C2)cc(=O)n1C1CC1 244975131 ICTNMWYNIHLILX-UHFFFAOYSA-N 445.360 2.768 0 40 IFAB COCC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 306135300 OMXKNFIHXBZDOE-UHFFFAOYSA-N 436.574 2.515 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 408713232 OWKFENUABJBARF-UHFFFAOYSA-N 435.933 2.688 0 40 IFAB O[C@@]1(CNCc2cccc(OCCN3CCCCC3)c2)CCN(c2ccc(F)cn2)C1 585273455 PQCLHPQDJPXOKR-XMMPIXPASA-N 428.552 2.816 0 40 IFAB CN1CCC(N2CC[C@H]3CC(=O)N(CC4CC4)C[C@H](O)C(C)(C)COCCC[C@H]3C2)CC1 1534604494 RNMIDASJUJTICJ-FIXSFTCYSA-N 449.680 2.845 0 40 IFAB Cc1nc(S(=O)(=O)N2CCC(COc3cc(-c4ccccc4)ncn3)CC2)cn1C 1775970372 DLNCRKQSNXRWDE-UHFFFAOYSA-N 427.530 2.665 0 40 IFAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 1848353332 NVZHJDVVIRSNSY-YKSBVNFPSA-N 437.471 2.765 0 40 IFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(C(=O)OC)cc3)N2C1=O 2247691 GJVSZPHCDCMKTK-RDJZCZTQSA-N 432.498 2.702 0 40 IFAB C[C@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1cccc(Cl)c1Cl 3299771 VPZQBOVFMRBWOM-JTQLQIEISA-N 436.251 2.979 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c(OC)c1 4143760 NHANYQUWFGOOMZ-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c(OC)c1 6238630 ACBRXOXTKVJHJJ-UHFFFAOYSA-N 441.509 2.611 0 40 IFAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 8954952 QWPPAHLTFLAXSW-UHFFFAOYSA-N 429.445 2.969 0 40 IFAB Cc1ccc(NC(=O)COC(=O)Cn2c(=O)c(-c3nccn3C)nc3ccccc32)cc1C 9282976 GMJZMZJJXLLLKM-UHFFFAOYSA-N 445.479 2.596 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)n2)cc1 9378868 OMZPGDGQIWSNCM-DEOSSOPVSA-N 443.511 2.962 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 9494017 AWRCNIWXZRQUOV-DEOSSOPVSA-N 431.496 2.665 0 40 IFAB CCNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 9865172 SHXFSHMFUVKEMR-LBPRGKRZSA-N 443.447 2.761 0 40 IFAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)cn23)n(C)c1=O 10271867 QEDREHWDRYOOIK-NSHDSACASA-N 433.390 2.616 0 40 IFAB Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 10589366 PNEULGLPZKRKSK-CYBMUJFWSA-N 438.402 2.786 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)cc1OC 11696883 QYADINUORWEBCW-UHFFFAOYSA-N 434.500 2.903 0 40 IFAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)Cc2cn3ccsc3n2)CC1 12143446 QARCPFIRCYJFKI-UHFFFAOYSA-N 438.962 2.796 0 40 IFAB COc1ccccc1Oc1coc2c3c(ccc2c1=O)OCN([C@H]1CCS(=O)(=O)C1)C3 12442556 XMIPKWLNRNIYFI-AWEZNQCLSA-N 443.477 2.933 0 40 IFAB biogenic COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 13039158 VTYZNXKBJSAZCH-QPEODSHDSA-N 435.524 2.765 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 13680054 WRFXABRHJUBKAP-GFCCVEGCSA-N 440.905 2.548 0 40 IFAB COc1cccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC 13734054 UASAJKZYTLTOBP-SIKLNZKXSA-N 440.521 2.948 0 40 IFAB CN1CCN(c2ccc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)cn2)CC1 14521952 SAPZICWRRRYCFZ-UHFFFAOYSA-N 436.541 2.723 0 40 IFAB CC(C)CC[C@H](C)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 14640560 AXNVRNQRWJJLSO-KRWDZBQOSA-N 434.558 2.992 0 40 IFAB Cc1csc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)n1 14760423 KSPSEFGCNJSFRC-QMMMGPOBSA-N 442.280 2.925 0 40 IFAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNC(=S)NCc1ccccc1 15518611 QENWRPBIAUVWFS-UHFFFAOYSA-N 449.561 2.821 0 40 IFAB O=C(CCN1C(=O)COc2ccccc21)N1CCN(Cc2c(F)cccc2Cl)CC1 18122822 PXGISYOSGXBDOY-UHFFFAOYSA-N 431.895 2.939 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2nc(O)cc(-c3ccccn3)n2)C1 19134415 ROLVRTJYACXHAJ-HNNXBMFYSA-N 426.498 2.739 0 40 IFAB Cc1nc(C)n(CC(=O)N2CCC[C@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)n1 19285714 OGHWHAWGRXHILO-HSZRJFAPSA-N 437.569 2.960 0 40 IFAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cccnc4)CC3)n2)CC1 19497074 STGBSBPOEIICEM-UHFFFAOYSA-N 443.573 2.531 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)COc2ccccc2F)n1 19709932 VYPZTQJXGWRJGC-IBGZPJMESA-N 443.523 2.793 0 40 IFAB COc1cccc(S(=O)(=O)N2CC[C@](Cc3cc(C4CCCCC4)no3)(C(N)=O)C2)c1 19739149 BKSIECZAAMNQMD-JOCHJYFZSA-N 447.557 2.840 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)cc1 19751280 XGJIHERUCGXALF-SFHVURJKSA-N 438.509 2.929 0 40 IFAB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 19817563 LGMMLZHDHGLVGR-CRAIPNDOSA-N 434.452 2.861 0 40 IFAB COc1ccc(-c2cc3ncn(CC(=O)O[C@H](C)C(=O)NC(C)C)c(=O)c3s2)cc1 22021605 PUSJGVQFFJGENT-CYBMUJFWSA-N 429.498 2.590 0 40 IFAB CCCCn1c(CSc2cccc[n+]2[O-])nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 23106417 PIWVLQYYVRTOAJ-UHFFFAOYSA-N 437.525 2.660 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccnc(N2CCOCC2)c1)c1ccccc1 25290415 VAPICHTUTSYZMB-HSZRJFAPSA-N 444.535 2.576 0 40 IFAB CCOC(=O)C(NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2)C(=O)OCC 25991669 GAYLCTLJWPCICO-UHFFFAOYSA-N 431.464 2.505 0 40 IFAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O 26496324 XTTSNGKBDZLTCX-UHFFFAOYSA-N 426.267 2.785 0 40 IFAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1[C@H]1CCS(=O)(=O)C1 27757586 GNPQQZLMMFKCOK-FKIZINRSSA-N 427.457 2.654 0 40 IFAB C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(F)cc1 32825616 BDXFUTFZUPJDLX-SECBINFHSA-N 429.267 2.959 0 40 IFAB Cc1ccccc1CSCCNC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38853094 QRXHXZVVSAHOTJ-HXUWFJFHSA-N 434.583 2.962 0 40 IFAB Cc1nccn1S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)n3ccnc3C)cc2)cc1 41096881 KODAKWQZLLVPSH-UHFFFAOYSA-N 442.522 2.837 0 40 IFAB Cc1cc(C)n(-c2nncn2NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)n1 49622813 NPTZPFAPKUCCNR-UHFFFAOYSA-N 443.511 2.856 0 40 IFAB CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C 58166280 BWKPGIDAJORUFY-ZJSXRUAMSA-N 443.636 2.629 0 40 IFAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 65499854 QPEVEJFTDQKJPV-PKOBYXMFSA-N 445.491 2.873 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C)CC23CCCCC3)NC(=O)N[C@H]1c1ccccc1 72308922 GSCUQVMOUJKJRB-NRFANRHFSA-N 426.561 2.808 0 40 IFAB COc1ccc(CCNC(=O)CN2CC(c3nc(-c4ccsc4)no3)C2)cc1OC 77099606 VEZGSFVUPSAZRZ-UHFFFAOYSA-N 428.514 2.573 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1 95464897 WQDOXDHNVLIUAH-UHFFFAOYSA-N 447.557 2.527 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1cccc(F)c1 96521136 DBWUSOPXQADLMA-ZJUUUORDSA-N 437.068 2.778 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c1 100395418 NQAKXRMWKLZAAY-SUMCQTLJSA-N 432.398 2.795 0 40 IFAB CCCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)N4CCCCC4)c(O)n3n2)C1 100685942 MOBBFXSJRSQBKX-QGZVFWFLSA-N 427.549 2.804 0 40 IFAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)N[C@@H]5CCS(=O)(=O)C5)(C4)C2)C3)cc1 101563340 LLVPELUQPWSWSV-RBFUXZAUSA-N 445.581 2.680 0 40 IFAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 219021495 HBSUOLVDTOWPNB-OKILXGFUSA-N 428.876 2.690 0 40 IFAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225940052 RWAFIGHIHDNGKN-IAGOWNOFSA-N 441.605 2.677 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3[C@H]4CO[C@@H](O4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)c(OC)c1 247905814 SENZXLJEQCKYHY-OYAUUERRSA-N 433.460 2.727 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408722658 BJQLQGWXIOVKMQ-LYPXWFNGSA-N 439.924 2.847 0 40 IFAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=N1 409032240 LZRGQMLEVUAIHF-PHJXOXRPSA-N 434.517 2.807 0 40 IFAB O=S(=O)(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccccc1C(F)(F)F 575414567 KYFLCWHUZSVJSU-SECBINFHSA-N 428.358 2.900 0 40 IFAB C[C@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1683303019 HRRAMCLTJJXDFV-BTDLBPIBSA-N 447.344 2.530 0 40 IFAB COC[C@H](C)n1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O 2620125 VUYWNIDPTKLZNU-HNNXBMFYSA-N 440.525 2.722 0 40 IFAB CCCCn1c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2c1ncn2CCC(C)C 7212892 OIBCSXZHPQHEKO-MSOLQXFVSA-N 431.581 2.901 0 40 IFAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 8246717 KHKJCICCCROCIE-QGZVFWFLSA-N 425.485 2.679 0 40 IFAB Cc1c(C)c2c(OCC(=O)N3CCC[C@H]3C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3 8877556 ZEIHSLCNUGOYKG-HNNXBMFYSA-N 429.469 2.968 0 40 IFAB biogenic CCc1cccc(CC)c1NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 9001546 IKWROKDNXJJFGS-UHFFFAOYSA-N 443.507 2.765 0 40 IFAB C[C@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9264029 XRSYWBVUSKVTIW-ZDUSSCGKSA-N 439.497 2.844 0 40 IFAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2nncs2)n1C 9289776 AQNDUYJZPJRYJG-SECBINFHSA-N 437.938 2.542 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)c1ccccc1 9303566 HRIUFRFTCFQMRZ-GDBMZVCRSA-N 430.555 2.969 0 40 IFAB O=C(CN1C(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 9305043 LIKCMBUXGPKNKA-SJCJKPOMSA-N 434.279 2.554 0 40 IFAB COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O 9339665 FCLVNKXOEPWSHL-SKQHNDAPSA-N 428.510 2.789 0 40 IFAB biogenic O=C(CN1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9417674 LVTPXFPJIWLDEE-SFHVURJKSA-N 437.562 2.557 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9487399 UHZKSXBYKXPSPO-KRWDZBQOSA-N 432.498 2.951 0 40 IFAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1ccccc1 9510422 PAAMENHQRHRYJB-HXUWFJFHSA-N 430.386 2.951 0 40 IFAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1 9519022 QAIMUMFECRTMMX-UHFFFAOYSA-N 447.495 2.613 0 40 IFAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3CCc2ccccc2)n(C)c1=O 9519130 WGVGTXWVGBMSCT-SFHVURJKSA-N 443.551 2.952 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9608468 IOFDZVILGJXFRB-VWLOTQADSA-N 449.507 2.664 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)no1 9664127 URMJNWKXYCJGRU-UHFFFAOYSA-N 429.454 2.604 0 40 IFAB Cc1ccccc1CN1N=C(c2ccc(Cl)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 9707486 SSFFEOCMPXFLHW-UHFFFAOYSA-N 448.914 2.820 0 40 IFAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C(C)C)c1 9715392 PWMGYBSFVXCCIS-FQEVSTJZSA-N 431.558 2.947 0 40 IFAB C[C@@H](C(=O)N1CCCC1)n1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 9727191 RURKIQKVFQENMN-KRWDZBQOSA-N 435.528 2.707 0 40 IFAB COc1ccc(-c2noc(CCCCCNC(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 9996210 BMCQDLFVHBDLSO-UHFFFAOYSA-N 433.472 2.864 0 40 IFAB COC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696198 USVRSDFONNVJCS-GXTWGEPZSA-N 448.570 2.593 0 40 IFAB CCOC(=O)c1[nH]c(C)c(CN2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)c1C 12142415 HVCOYEDRVSOLIN-UHFFFAOYSA-N 432.546 2.504 0 40 IFAB COc1ccccc1C1(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 12143072 IXPRIUZEJIMLRJ-UHFFFAOYSA-N 444.553 2.915 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2=O)cc1 12348316 SLCJQHSSCVTUBC-UHFFFAOYSA-N 442.497 2.512 0 40 IFAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 12660089 QCAHZYMGZAQSFX-DJJJIMSYSA-N 445.903 2.765 0 40 IFAB Cc1c(NC(=O)[C@H](C)Sc2nnnn2C2CCCC2)c(=O)n(-c2ccccc2)n1C 12677264 UIYMBKWWEJKQIX-AWEZNQCLSA-N 427.534 2.705 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(F)c1 12760850 RSVVGHFOCDTKLH-UHFFFAOYSA-N 431.533 2.568 0 40 IFAB COc1ccc(C)cc1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C 12783762 FQCYBRWZDVPKGV-UHFFFAOYSA-N 434.562 2.876 0 40 IFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 12806601 SPGVCHHGPILWPH-HXUWFJFHSA-N 439.537 2.685 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 12860540 CZLBFZLFMPIEKF-AWEZNQCLSA-N 442.946 2.658 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O 14252288 KSUHBKILNBSIML-CJAUYULYSA-N 448.475 2.818 0 40 IFAB Cc1ccc(O)c(NS(=O)(=O)CCCCS(=O)(=O)Nc2cc(C)ccc2O)c1 16291035 UXBWAOOORGCVCN-UHFFFAOYSA-N 428.532 2.678 0 40 IFAB C[C@H]1Cc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O 17363027 ZMRVFAUPDUPBCG-KRWDZBQOSA-N 427.570 2.792 0 40 IFAB Cc1cc(C(=O)N2CCC[C@H](c3cc(O)nc(C4CCN(C(=O)C(C)C)CC4)n3)C2)on1 19119806 BJWQZSNAIAOSBA-KRWDZBQOSA-N 441.532 2.860 0 40 IFAB CCSCc1nc(O)c2nnn(C3CCN(Cc4cnc(C(C)C)nc4)CC3)c2n1 19520508 ILQLZTCBLHXUIG-UHFFFAOYSA-N 428.566 2.931 0 40 IFAB COc1cccc(OC)c1C(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694712 KHHWNKRYHSTXKU-HNNXBMFYSA-N 434.500 2.647 0 40 IFAB COc1cccc(OC)c1CN1CCO[C@@H](c2ccnc3c(Cn4cccn4)c(C)nn23)C1 19707769 XLAVCQLEOXGSJI-HSZRJFAPSA-N 448.527 2.873 0 40 IFAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)CCn2nc(C)nc2C)cc1 19713186 IDERMLGOVUXFNO-YADHBBJMSA-N 439.560 2.866 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)C1 20454161 DWVNPWKJMXGDMJ-IBGZPJMESA-N 449.548 2.539 0 40 IFAB Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NC[C@@H]3CCCO3)c2n1 20579742 GYEPAHDFOPVSJF-KRWDZBQOSA-N 439.899 2.885 0 40 IFAB CCSc1ccccc1C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134462 CLHVZOXTSSJZBZ-UHFFFAOYSA-N 426.521 2.871 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(I)ccc2O)CC1 23457967 ARGZBEVQUNZXFJ-UHFFFAOYSA-N 432.258 2.690 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(CN2C(=O)CC3(CCCCC3)C2=O)CC1 23673580 KMEAZBYJTCACRH-UHFFFAOYSA-N 427.501 2.733 0 40 IFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nnc(C(=O)NCc2ccccc2)s1 23908677 MZJBOOKRDBQPSB-UHFFFAOYSA-N 434.525 2.727 0 40 IFAB CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc1 32796103 KSDBNYXGUQINCM-CQSZACIVSA-N 430.302 2.729 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 35369361 OJSCANUVCDCQSX-DVSDUFGPSA-N 425.847 2.910 0 40 IFAB Cn1nnnc1SCC(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 38585883 DYZVCTYNTCWFBS-UHFFFAOYSA-N 449.525 2.774 0 40 IFAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccs3)nn2CCO)cc1 42384613 PNDOBENMMDHNKM-UHFFFAOYSA-N 433.555 2.967 0 40 IFAB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 43701744 SHYFJMRMOTUTMX-IKVWTGGYSA-N 448.306 2.731 0 40 IFAB CCc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 49400868 AVLONBUMLWGTNS-UHFFFAOYSA-N 430.552 2.989 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)CC1 70039557 GWHKMZQMPZLBBX-UHFFFAOYSA-N 425.514 2.749 0 40 IFAB Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)n1 70655617 APCMUBHYQVHUMW-UHFFFAOYSA-N 445.527 2.930 0 40 IFAB Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1 71328347 CGGFILSGRCTOKL-UHFFFAOYSA-N 433.424 2.739 0 40 IFAB CCN(CCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)c1ccccc1C 72301518 DFYMZNLACMSRIB-UHFFFAOYSA-N 446.504 2.747 0 40 IFAB COCCOC[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 72303085 SCCKHZATETZCKF-CQSZACIVSA-N 432.970 2.542 0 40 IFAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CC1)NC2=O 72327492 CPDBVUYVTNBKOB-YUIYBGGXSA-N 443.544 2.610 0 40 IFAB CCOC(=O)N1CCN(Cc2nc3cc(-c4ccc(OC)cc4)sc3c(=O)[nH]2)CC1 96795043 IGJJDGGYHYTVPD-UHFFFAOYSA-N 428.514 2.934 0 40 IFAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F)(C3)C2 101468524 RDHYOQXDTGYMEA-KAJWEHKCSA-N 437.462 2.976 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1OC 102465221 BBTRNGCKYMSWCU-KBPBESRZSA-N 429.498 2.941 0 40 IFAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1sc(CC)c(C)c1C(=O)OCC 104897449 FRLUWUTWQTVAAH-OVCLIPMQSA-N 440.543 2.714 0 40 IFAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCc2ccc(OC)cc2)S1(=O)=O 219194830 XBTKHCMXFIVELN-UHFFFAOYSA-N 446.525 2.930 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccc(C)cc1 223306600 JOBBBORXEIOTHP-GOSISDBHSA-N 446.569 2.835 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)ccc21 225092714 XLUYTDSBCXITMZ-UHFFFAOYSA-N 441.481 2.766 0 40 IFAB CCCc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)no1 257255157 KGIWNNKCNNSREQ-VDKIKQQVSA-N 441.572 2.931 0 40 IFAB COc1ccccc1[C@@H]1CNCCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 257299283 RPKJXHOVLNBAKB-NRFANRHFSA-N 444.963 2.770 0 40 IFAB O=C1COc2ccccc2C/C=C/C[C@@]2(CCCN(C(=O)CCn3ccccc3=O)C2)CN1 257319745 VTXMQBONEWRIAU-MLQZBXHFSA-N 449.551 2.545 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1C 408650995 CPUUMVGJRSVPMH-INIZCTEOSA-N 443.887 2.632 0 40 IFAB CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(I)c1 609497247 WEWPBQKKFISKQD-UHFFFAOYSA-N 436.296 2.855 0 40 IFAB Cc1ccc(F)c(CN2CCN3C(=O)OC4(CCN(c5ccnc(C)n5)CC4)[C@H]3C2)c1 1549161749 KOCUFYXRYUQBFM-HXUWFJFHSA-N 425.508 2.908 0 40 IFAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1CO2 1772594473 DLBKETKHUMFBTG-SFHVURJKSA-N 447.532 2.655 0 40 IFAB CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(-c4ccncc4)cn3)CC2)cn1C 1889241334 NPOHFENACQUUHJ-UHFFFAOYSA-N 442.545 2.628 0 40 IFAB COc1ccc(OC)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 652667 AXZJSACOJKQHIN-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 815642 FKHWVQBEYPSTKX-LJQANCHMSA-N 445.541 2.991 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)O)ccc12 2132581 NORKNFDIRMALMQ-SFHVURJKSA-N 427.478 2.983 0 40 IFAB biogenic CCn1cc(NC(=O)[C@@H](C)n2cc(Br)c(C)n2)c(C(=O)NCc2ccco2)n1 2792544 GAUIQFXCLUOFJJ-GFCCVEGCSA-N 449.309 2.893 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 8723502 QQJUGSNHPNOXIR-HXUWFJFHSA-N 445.269 2.950 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2cccs2)cc1 9005032 QSGQSXVRWUWEDD-QGZVFWFLSA-N 438.552 2.645 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(F)cc1 9090924 SDXJWAQGFRGHQK-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 9119703 WCHNLHUYQNUHIY-UHFFFAOYSA-N 440.411 2.893 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)C1CCCC1 9391630 ALWBCCCFWXWZJW-AEFFLSMTSA-N 441.553 2.785 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 9530584 PMGPFKCUPNMGCZ-HNNXBMFYSA-N 444.538 2.933 0 40 IFAB CCN1CCOc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2C1=O 9828222 WWEFGUMLDRENPC-UHFFFAOYSA-N 431.514 2.936 0 40 IFAB Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)n([C@H]2CCS(=O)(=O)C2)n1 10348436 VHBZHRNLVSIIFO-LBPRGKRZSA-N 434.465 2.696 0 40 IFAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(Br)c1 10518333 MAIOWOIMKVADKM-UHFFFAOYSA-N 431.333 2.691 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1OC 11694468 RGGZAGAFKGFPKH-OAHLLOKOSA-N 441.459 2.650 0 40 IFAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C(=O)c2c[nH]c3ccccc23)n1 12006469 ICVUCAHAXWFARL-UHFFFAOYSA-N 428.408 2.827 0 40 IFAB O=C(c1ccc(N2CCCC2)cc1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089457 XIDJVNBUSKWQMS-QFIPXVFZSA-N 440.569 2.869 0 40 IFAB COc1ccc(C(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2F)cc1OC 12705945 WOCQLLJFRPNVCJ-SFHVURJKSA-N 430.476 2.781 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3CCN(C(=O)C4CC4)CC3)[C@H](c3ccco3)C2)cc1 12800880 VYWGHJFEPQIEIR-NRFANRHFSA-N 436.512 2.520 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 12866810 KCTXOZXHNILMBN-UHFFFAOYSA-N 436.896 2.634 0 40 IFAB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1F 12927911 IJUOIHDDKFFNAU-UHFFFAOYSA-N 428.869 2.948 0 40 IFAB C[C@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12989264 XYJMLUDYELCRAE-MRXNPFEDSA-N 431.533 2.648 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nn3cc(-c4ccccc4)nc3s2)c1 13072493 PENZHGYUGYXTDP-UHFFFAOYSA-N 427.511 2.960 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)C1 13149544 SHUCSWXPQBOWLL-OAHLLOKOSA-N 429.498 2.654 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C)N1C(=O)c2ccccc2C1=O 13149598 CBIUMCNXKYONIF-BMGDILEWSA-N 432.542 2.642 0 40 IFAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2F)C1=O 13163607 CHITZSPEHDKAJW-JOCHJYFZSA-N 427.432 2.529 0 40 IFAB CCOC(=O)C1CCN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 13568821 DADLFDMPPWWMBX-UHFFFAOYSA-N 430.954 2.688 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)c(OC)c1 13573705 YLUNGOQNCORHPK-JQFNYASXSA-N 434.514 2.504 0 40 IFAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13700731 RAKUSXQHNCSRBV-HNNXBMFYSA-N 436.447 2.640 0 40 IFAB CC(=O)Nc1nc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2s1 13722511 GTGRUQGXFBTXBO-UHFFFAOYSA-N 438.509 2.941 0 40 IFAB COc1cccc(C(=O)NCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 14251243 JKIMKQMVPFBHGF-UHFFFAOYSA-N 426.498 2.510 0 40 IFAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1ncc2ccccc2c1=O 19451443 XVTUTZFGTIOPTB-IBGZPJMESA-N 449.536 2.523 0 40 IFAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)[nH]c2=O)C1 19499100 SVKDFPNYORVVLN-HXUWFJFHSA-N 434.540 2.850 0 40 IFAB Cc1ncsc1C(=O)N1CC[C@H](c2c(C(=O)NCCN(C)C)sc3ncccc23)C1 19702245 URGGWQUJZLSMQW-AWEZNQCLSA-N 443.598 2.982 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 19857819 DXSUDLIXNAYHLU-KRWDZBQOSA-N 430.526 2.962 0 40 IFAB CS(=O)(=O)Cc1ccc(C(=O)O[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 32667902 UAJFOTYVKDVKAC-IBGZPJMESA-N 447.484 2.749 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 32962487 YNRNXSHCPPCGMM-VMPITWQZSA-N 427.570 2.521 0 40 IFAB C[C@H]1C[C@H](C)CN(CCCCNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 40108517 NXLLZXYJLGXTAX-PMACEKPBSA-N 426.561 2.810 0 40 IFAB O=C(Cn1c(=O)cnc2cc(C(=O)NC3CC3)ccc21)Nc1ccccc1C(F)(F)F 49008017 HSIXTMKGRFDMHO-UHFFFAOYSA-N 430.386 2.946 0 40 IFAB COC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCC[C@@H](C)C1 49402141 NDLKWUOPOBDLMO-GFCCVEGCSA-N 429.901 2.931 0 40 IFAB COc1cc(NC(C)=O)c(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1OC 57648851 SITPDUDKOHIOMW-UHFFFAOYSA-N 426.425 2.505 0 40 IFAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc2n1CCCC2 89913822 OIKLKPULFPDSBX-QGZVFWFLSA-N 445.589 2.599 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2ccc3ccc(OC)cc3c2=O)c1 89969084 AKSPCQZPZMKDCO-UHFFFAOYSA-N 443.525 2.679 0 40 IFAB COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 95473094 GGJSETHVHZQDPF-UHFFFAOYSA-N 438.915 2.921 0 40 IFAB O=C(COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)Nc1cccc2nsnc12 95943787 DNUJLPZOFKUAPJ-JQFCIGGWSA-N 438.513 2.801 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Br)cc2)cc1 100816684 OCXOEGZKKXKHMB-OTWHNJEPSA-N 442.313 2.993 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(C(=O)OC)ccc21 100872431 NRKFQMXGUMMGNI-DQRAZIAOSA-N 428.466 2.664 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1=O 107090217 QHQQLPBEIDVEQD-NQIIRXRSSA-N 437.540 2.585 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)cc1 108235158 GLTDUOHUWOPDNP-OHTANWTRSA-N 443.503 2.822 0 40 IFAB CCOc1ccccc1N(CCCC(=O)NCCc1ccc(OC)cc1)S(C)(=O)=O 222610062 UCJOXYZXJPJGFP-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(F)cc2)CC1 224348278 YBWGAOLYVCUYPJ-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 225173064 VEHKDPFSMDOBJK-UHFFFAOYSA-N 444.538 2.619 0 40 IFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C[C@@H]4CCS(=O)(=O)C4)C3)cc2N1 247843300 RDIOIBZMMROCLX-ORIJERBGSA-N 448.511 2.721 0 40 IFAB CN(C[C@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)CCCc1nc2ccccc2n1C 257232940 GNAUKJBZZWZJRG-XMMPIXPASA-N 439.535 2.920 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 306140487 UUTHQYLCAFLYSY-WIOPSUGQSA-N 435.524 2.614 0 40 IFAB O=C1C[C@@H]2N(S(=O)(=O)C3CC3)CC[C@@]2(c2ccccc2)CCN1Cc1ccccn1 306142693 XGMWNDZGDIXPEJ-JTHBVZDNSA-N 425.554 2.709 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)CC1 408681454 WFPWSOUFWNREDJ-UHFFFAOYSA-N 445.585 2.899 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)N(C)C1=S 409211608 MBLQAXIGEDNNCU-BOPFTXTBSA-N 440.477 2.537 0 40 IFAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCC(=O)N1CCOCC1 409376195 VSGCMBKSEDEXSS-HXUWFJFHSA-N 443.525 2.692 0 40 IFAB COc1cc([C@H](CC(=O)NCc2csc(C)n2)c2oc(C)cc(=O)c2O)ccc1O 524729540 XWFYPKBHYDVXLC-HNNXBMFYSA-N 430.482 2.971 0 40 IFAB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)cc1 575615265 CUMIBSFVAYBAAI-UHFFFAOYSA-N 428.461 2.543 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147572 ZXPGZSOKNGJMKL-UHFFFAOYSA-N 444.491 2.757 0 40 IFAB O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)N1 1669117865 YAZBDFQDZQDMIC-CJNGLKHVSA-N 439.390 2.642 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 1775968340 CGUCZJNIKVBBCY-HXUWFJFHSA-N 428.510 2.948 0 40 IFAB Cc1nc(N(C)C)ncc1C(=O)N1CCNC(=O)[C@@H]1Cc1cccc(-c2cccc(F)c2)c1 1848351774 NBKHOZKPCBYTPV-QFIPXVFZSA-N 447.514 2.840 0 40 IFAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc(F)cc1 3266497 CBTKNLRCDLFSIB-UHFFFAOYSA-N 433.379 2.939 0 40 IFAB C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1Cc1sc(NC(=O)c3ccco3)nc1[C@H]2CC(=O)O 4222446 UXBGDOFJNRWMIY-JLPLXXEWSA-N 434.514 2.879 0 40 IFAB biogenic,in-vitro COc1ccc(/C=C(\NC(=O)c2ccc(OCC(C)C)cc2)C(=O)NCCCO)cc1 4837212 DEJWPMUUHWCWNO-JCMHNJIXSA-N 426.513 3.000 0 40 IFAB Cc1cc(C)cc(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1 8706546 UOYZYAUHESYCPP-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB COc1ccc(CN2C(=O)[C@]3(SC(NC(C)=O)=NN3C(C)=O)c3cc(C)ccc32)cc1 8843699 UZVVHZJQBVHWMY-JOCHJYFZSA-N 438.509 2.706 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)N4CCCCCC4)CC3=O)cc2)CC1 9095662 CPKLBRFVSPZUMB-IBGZPJMESA-N 447.601 2.863 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)s3)[C@H]2C(C)C)cc1 9227641 QDFKTNXCQHOUSM-QGZVFWFLSA-N 440.616 2.762 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@H]1CCSc2ccccc21 9254384 BQEUFCNXFHMAAN-INIZCTEOSA-N 438.596 2.665 0 40 IFAB CC(C)NC(=O)CNC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 9368036 QQCWLFUEYMLJNN-UHFFFAOYSA-N 438.406 2.642 0 40 IFAB COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)nc12 9385965 LWDWXBMHSVKTMB-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 9467552 VGFURWSEOLHSAI-WNSKOXEYSA-N 425.533 2.598 0 40 IFAB CC(=O)NCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 9498030 SYLIITVWUHOYAZ-ZSOIEALJSA-N 430.313 2.672 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 9525821 VJAZILSTHYSDRV-UHFFFAOYSA-N 432.498 2.553 0 40 IFAB O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851718 FDOBIXGUVUOXFR-UHFFFAOYSA-N 433.903 2.885 0 40 IFAB CCCC(CCC)C(=O)NCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1 10705333 DVJVSXLMZVWOEJ-UHFFFAOYSA-N 426.579 2.724 0 40 IFAB C[C@@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F 11364655 GOZUZRHVKYXRDU-CABCVRRESA-N 435.525 2.552 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694061 IWYZFCFXASADEO-UHFFFAOYSA-N 449.438 2.659 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 11834824 TZBPECAYRZJJPF-HOTGVXAUSA-N 432.517 2.780 0 40 IFAB CCC(CC)[C@@H](CNC(=O)Cn1c(-c2ccc(OC)cc2)n[nH]c1=S)N1CCOCC1 12764572 JTKAAHWOJNTCTN-LJQANCHMSA-N 447.605 2.869 0 40 IFAB CN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12998372 QUWCNDRPMIQCQO-UHFFFAOYSA-N 448.516 2.656 0 40 IFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(Br)c1 12998989 ROQOHTUAFYBFIV-OAHLLOKOSA-N 427.320 2.670 0 40 IFAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13149441 UAKYRXORNORMCD-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)no1 13505870 HMSUDVJLKMSTPQ-KRWDZBQOSA-N 448.907 2.684 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1OC 14198467 ASCGOMPZLJSTID-SFHVURJKSA-N 434.286 2.907 0 40 IFAB O=C(NCCc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 15525436 LQYWYXNCZFUDRJ-UHFFFAOYSA-N 441.475 2.964 0 40 IFAB O=C(c1ccncc1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)CC1 19372304 FUGWDMPIHQREAN-UHFFFAOYSA-N 429.524 2.743 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(Cl)cc3)c21 19496295 IQRJYZOVUPNTLU-AWEZNQCLSA-N 426.908 2.929 0 40 IFAB CSc1nc2nc(C)c(CC(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c(C)n2n1 19614029 UCXIKWYQTNRTTF-UHFFFAOYSA-N 443.573 2.634 0 40 IFAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)C1 19739393 ZVHVZMVADRHQFO-GOSISDBHSA-N 438.528 2.625 0 40 IFAB C[C@H]1CCc2nc(NC(=O)Cn3cc(C(=O)NCc4ccccc4)ccc3=O)sc2C1 19751568 TZCFEBSGSXDULV-HNNXBMFYSA-N 436.537 2.998 0 40 IFAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 20047354 ADXDAVGSKXQOFJ-IBGZPJMESA-N 448.541 2.821 0 40 IFAB COc1ccccc1[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CCN1CCOCC1 20308193 PSDFMXZLTXNLCP-NRFANRHFSA-N 438.455 2.818 0 40 IFAB O=C(CN1CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1)NCc1ccccc1 22819682 WAKWRXLGXOUKCB-UHFFFAOYSA-N 435.355 2.866 0 40 IFAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(Cc2nc3ccccc3s2)CC1 22912923 NBTAJLIBRRIZNU-LJQANCHMSA-N 435.553 2.535 0 40 IFAB CCn1nc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c2ccccc2c1=O 23909045 GZXYOQFAGSWALT-UHFFFAOYSA-N 433.537 2.984 0 40 IFAB COc1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc(OC)c1Br 25290862 QVPKQLJRNQFKFT-UHFFFAOYSA-N 436.306 2.628 0 40 IFAB CN(CCOc1cccc(Cl)c1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 26351674 BVAODFRSMCHCPQ-OAQYLSRUSA-N 433.867 2.784 0 40 IFAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 32935835 BRFNJEXNTPNPBP-NRFANRHFSA-N 429.586 2.798 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)Cc3ccccc3)CC2)o1 32940539 KLBWEOTZRSBIMX-UHFFFAOYSA-N 448.541 2.906 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCC[C@@H]3C)c2)CC1 32969003 VFTPXGHEOWSUJS-KXBFYZLASA-N 427.998 2.975 0 40 IFAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)CN(C)S(C)(=O)=O)nc12 36676094 RQBBYTOMZBKIST-UHFFFAOYSA-N 434.543 2.515 0 40 IFAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 40071664 RETFYMYXFXCULV-GFCCVEGCSA-N 449.433 2.607 0 40 IFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 40717564 PONLJJITZAODSF-UHFFFAOYSA-N 430.457 2.588 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)Cc1ccccc1Cl 44901409 PMRRZJYPTZVHLG-UHFFFAOYSA-N 432.951 2.977 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2)C[C@@H](C)O1 48361817 PXOIKHNYSZSKKA-NXEZZACHSA-N 432.474 2.526 0 40 IFAB Cc1ccc(Br)cc1S(=O)(=O)N1CCCc2c1cccc2S(N)(=O)=O 79001725 XOBBKTYUPBZSER-UHFFFAOYSA-N 445.360 2.546 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)cc1OC 101272286 ZKPRPZXTLSJEIQ-RTBURBONSA-N 448.439 2.556 0 40 IFAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 106711520 SORCSDIGULIHSQ-AQTBWJFISA-N 434.514 2.769 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1 220491635 XLIHYAGLNOSBSV-HNNXBMFYSA-N 446.504 2.997 0 40 IFAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc(OC)c1)S(C)(=O)=O 220618422 OCNYXDVAESIYOY-LJQANCHMSA-N 434.514 2.974 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222391213 RZNWNEKPWMUPMF-LJQANCHMSA-N 445.585 2.559 0 40 IFAB COc1cc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc(OC)c1OC 222502634 CLDLSRLALPDOHB-UHFFFAOYSA-N 442.921 2.692 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC1)O2 248337810 QHKMHFQSFOUDOV-KHVVASAOSA-N 441.572 2.952 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCC[C@H]3C)CC1)O2 248339239 SKIPPXCMXRCLKX-NXMSCROESA-N 427.545 2.658 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 408611184 VJDONPXGJVGMCA-NSHDSACASA-N 425.894 2.613 0 40 IFAB COc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(=O)N1CCOCC1 408693499 XOUWDKPMTILUOW-UHFFFAOYSA-N 442.603 2.512 0 40 IFAB CN(C)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 409145496 INYBEPSLVCGLSK-UHFFFAOYSA-N 444.294 2.575 0 40 IFAB Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CC[S@@](=O)C[C@@H](C)C3)c2)cc1 1220715434 WWZKTUNZYQPZIO-YVGXBJCXSA-N 427.570 2.835 0 40 IFAB CN(C)c1ncc(CN2CC[C@@H]3NC(=O)COc4ccc(F)cc4CCCC[C@@H]3C2)cn1 2037989156 XWZNHRBGLXLMPT-CTNGQTDRSA-N 441.551 2.794 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1 886873 DBIVQCFSOOQINR-HXUWFJFHSA-N 432.542 2.884 0 40 IFAB CCCCCCn1nc(C(=O)OCn2nnc3ccccc3c2=O)c2ccccc2c1=O 2662597 GSAVILWOKVIQKA-UHFFFAOYSA-N 433.468 2.896 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007721 KRTNILSITZONBB-LJQANCHMSA-N 447.535 2.820 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1C 3424055 PTSGICUBXVSFDO-UHFFFAOYSA-N 443.424 2.844 0 40 IFAB Cc1c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3600171 XJDDTKZNGRVRHS-UHFFFAOYSA-N 435.267 2.982 0 40 IFAB COc1ccc(C2(CN3C(=O)N[C@@H](CCC(=O)NCCC(C)C)C3=O)CCOCC2)cc1 8765409 HEVMKMMAJCEZEJ-FQEVSTJZSA-N 445.560 2.606 0 40 IFAB biogenic Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccc(F)cc2)n(C)c1=O 8774929 JMZXYZSTEKMPDV-UHFFFAOYSA-N 446.486 2.757 0 40 IFAB CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 8924006 QRLGQGUMIOZWTK-HNAYVOBHSA-N 429.498 2.540 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)Cc2ccccc2)c1 9285743 CWTZRCPAWOERSX-UHFFFAOYSA-N 444.601 2.650 0 40 IFAB CCN(C(=O)COc1ncnc2sc(-c3ccccc3)cc12)[C@@H]1CCS(=O)(=O)C1 9491385 CWRSRIXXTABYDY-OAHLLOKOSA-N 431.539 2.773 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2nn(C)c(=O)c3ccccc23)ccc1Cl 9506748 SPRGCBHMHUUOAN-UHFFFAOYSA-N 448.932 2.870 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3)C2)c1 9673795 LRODTDFFTAGLKO-IBGZPJMESA-N 429.498 2.991 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 9986633 CPMDJFUTIYUKDJ-BXKMTCNYSA-N 431.496 2.825 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[nH]2)nc1C 11990957 MWQIDFGPNHNCMI-UHFFFAOYSA-N 431.499 2.504 0 40 IFAB O=C(CN1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1)NCc1ccccc1 12760370 IFDLRFIWXCVKFE-UHFFFAOYSA-N 432.553 2.896 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 12857725 WTTWOWVIXKFTMF-QGZVFWFLSA-N 440.569 2.943 0 40 IFAB CC1CCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)CC1 12929088 QOYIGQKEXVLEMB-GOSISDBHSA-N 428.558 2.981 0 40 IFAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccc(F)cc1)c(=O)n2CC(=O)c1ccc(Cl)cc1 13228023 IFGWFUYQIVKJNF-UHFFFAOYSA-N 439.834 2.665 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)cc1NC(C)=O 14706721 TTZVSAKKAQCPIP-UHFFFAOYSA-N 433.515 2.734 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(-c3cccc(F)c3)c1=O)NCC2 18142561 CFORGQQKKOQWSH-SFHVURJKSA-N 429.473 2.992 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NCc1ccccc1Cl 19077862 KJXMYPQVNLIMFH-MRXNPFEDSA-N 438.962 2.964 0 40 IFAB O=C(CN1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1cccc(C(F)(F)F)c1 19330689 XSQCFPOEMYJILL-UHFFFAOYSA-N 435.450 2.776 0 40 IFAB CCc1nnsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 19521897 UKYQONGHAIEKEA-GOSISDBHSA-N 432.509 2.960 0 40 IFAB CN(C)c1cc(CN(C)S(=O)(=O)Cc2cccc(Cl)c2)nc([C@@H]2CCCNC2)n1 19709723 IWVOPKWPIMCGCH-MRXNPFEDSA-N 437.997 2.625 0 40 IFAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19739470 WHTGFURMXHOWIV-LJQANCHMSA-N 442.585 2.836 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1OC 20005094 PLKKRACNOBFADM-IBGZPJMESA-N 432.542 2.652 0 40 IFAB CC(C)Oc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 20458318 KAGBCJQQOKIVFP-LJQANCHMSA-N 438.933 2.971 0 40 IFAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2sc(=O)[nH]c2c1 20609182 YZEXHXKINRLGRN-KRWDZBQOSA-N 445.522 2.524 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)nc1)c1occc1CS(=O)(=O)c1ccccc1 22284554 BQSWQEOZVYWTJV-UHFFFAOYSA-N 427.482 2.737 0 40 IFAB CCC(CC)[C@H](CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCOCC1 22898725 GBUUHRBHCGVYAV-LRSLUSHPSA-N 447.620 2.606 0 40 IFAB Cc1cc(I)ccc1NC(=O)CN1CCN(Cc2ccco2)CC1 22915301 WONQNRWKWPJJSK-UHFFFAOYSA-N 439.297 2.949 0 40 IFAB CN1CCN(c2ccc(CNC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cn2)CC1 23318589 DXTUHDOASUTLFR-UHFFFAOYSA-N 441.539 2.556 0 40 IFAB O=C(N[C@@H](C(=O)O)c1ccccc1)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 25107279 NTLOSRFHIIJIAF-OHGOEXECSA-N 449.551 2.566 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC[C@H](C)c1ccccc1 31084294 JRVCQVIDQHRILS-SFHVURJKSA-N 429.586 3.000 0 40 IFAB Cc1nc2c(C(=O)NCc3ccco3)nc(-c3ccco3)cc2n1[C@@H]1CCS(=O)(=O)C1 32616053 WFFPLSKVHHPMMQ-CQSZACIVSA-N 440.481 2.882 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2cccc(Cl)c2)Oc2ccccc21 38848507 KQSHWQWXKHKTEJ-GOSISDBHSA-N 440.974 2.917 0 40 IFAB O=C(NCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1c[nH]c2ccccc2c1=O 40145194 URUYMPLIOPNPFW-OAHLLOKOSA-N 429.480 2.540 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)CC1 41252830 MZCDSNZCVGIQLN-UHFFFAOYSA-N 432.524 2.966 0 40 IFAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@@H](CN1CCCC1=O)c1ccccc1 48326477 OMOQMXBBTDMHKP-NRFANRHFSA-N 431.496 2.777 0 40 IFAB Nc1nc(N2CCN(c3cccc(Cl)c3)CC2)ncc1S(=O)(=O)c1ccccc1 49007267 KBEXSZFNTZMCHP-UHFFFAOYSA-N 429.933 2.872 0 40 IFAB Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@@H]5C)nc34)n2)cc1 57503536 ROVCIKQUJFUXPT-INIZCTEOSA-N 432.484 2.922 0 40 IFAB O=C(C[S@](=O)Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 58215656 OBQSYMZYHLSUJV-MHZLTWQESA-N 429.325 2.820 0 40 IFAB COc1cc2c(cc1OC)S(=O)(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)C2=O 71853631 FYNKUPHWMNDGQS-UHFFFAOYSA-N 432.498 2.919 0 40 IFAB COc1ccc(CNC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1OC 72325574 LDZZSFNIEBOZTB-UHFFFAOYSA-N 437.496 2.835 0 40 IFAB biogenic COCc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1OC 95965976 GNHLVGPOEOVTEJ-OAHLLOKOSA-N 425.485 2.678 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(O3)[C@@H]2C(=O)N2[C@H](c3ccco3)CC(=O)[C@@H](C)[C@@H]24)c1 100786010 SOLPERFSTZHDQZ-SSCPNUKBSA-N 448.475 2.728 0 40 IFAB O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(c2ccccc2O)CC1 105840645 IDLLWVRUUWJIQY-HNNXBMFYSA-N 444.329 2.856 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)C2=O 110539592 FYBNOXKYJXCUMG-WBPRFABPSA-N 429.517 2.772 0 40 IFAB COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 113938685 PCCSMUUKJZPUOG-QFIPXVFZSA-N 438.505 2.968 0 40 IFAB CCN(c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1)S(=O)(=O)CC 113972010 BPCDLHWSTRTESQ-UHFFFAOYSA-N 442.541 2.913 0 40 IFAB CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119230283 IRJWPUOTLSQRFN-GZTHMQLPSA-N 444.524 2.835 0 40 IFAB CCOc1ccccc1N(CC(=O)n1cc(C(=O)OC)c2ccccc21)S(C)(=O)=O 222581821 NIDVSIIAJPCQKY-UHFFFAOYSA-N 430.482 2.933 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1CCN1CCOCC1 223133446 PEXWSBABAYVLJL-XZOQPEGZSA-N 448.596 2.631 0 40 IFAB Cc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224218136 ASKNRAHITITCHD-UHFFFAOYSA-N 449.960 2.811 0 40 IFAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225079602 GYEDKFJXEDSJDV-UHFFFAOYSA-N 429.498 2.527 0 40 IFAB CC(C)CSc1nnc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)s1 225240808 JVNQBTWEGRBMIJ-UHFFFAOYSA-N 436.531 2.969 0 40 IFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)n[nH]1 225564574 CBVRVEOHIJTMON-UHFFFAOYSA-N 448.405 2.772 0 40 IFAB O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 257230899 GELJUONDXJMNIQ-HXUWFJFHSA-N 425.464 2.596 0 40 IFAB CC(C)CN1C(=O)CO[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]21 257253235 JYBOHHYQSOWCTB-SFTDATJTSA-N 445.604 2.696 0 40 IFAB COc1ccc(Cc2cnc([C@@H]3CCCN(S(=O)(=O)c4cn(C)nc4C)C3)o2)cc1 257272663 NDIVHRIRFIHOPD-QGZVFWFLSA-N 430.530 2.884 0 40 IFAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 257323098 WITWRSBHMYOGRF-SFHVURJKSA-N 446.573 2.899 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)N2[C@H]3CC[C@H]2CC(Oc2cccnc2)C3)c1 390831189 QJLUOUWYYAKBHH-HOTGVXAUSA-N 432.498 2.640 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1C 408556712 JHGCMPPDYVYBJK-KRWDZBQOSA-N 445.541 2.532 0 40 IFAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NC4CCC5(CC4)NC(=O)NC5=O)cc3)o2)c1 553290067 ABBUUMCPFGOXPD-UHFFFAOYSA-N 445.479 2.963 0 40 IFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575612254 KKLONEJGBDCQJD-NSHDSACASA-N 434.262 2.749 0 40 IFAB O=C(c1ccc(N2CCCCC2)nn1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888890562 OLJXJDHMBXVBOP-ZHRRBRCNSA-N 426.496 2.717 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 2636263 DLTYCAZKSXPPJT-ZDUSSCGKSA-N 445.522 2.902 0 40 IFAB COCCNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 6239056 PAMSUPXVQJWPJK-UHFFFAOYSA-N 431.514 2.661 0 40 IFAB C[C@H](CSc1nc2ccccc2o1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 6283080 KVPRDPXVYYANAV-ZDUSSCGKSA-N 440.529 2.593 0 40 IFAB CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 8705041 KXAGNJRRWGRGLV-OAHLLOKOSA-N 438.575 2.781 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 9305074 TYNTUULJVDHEGC-SFHVURJKSA-N 447.532 2.544 0 40 IFAB O=C(COc1cccc(Cl)c1)OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9445609 JGOJNADYZASUHC-QGZVFWFLSA-N 443.949 2.610 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)c1 9662348 NXIGUCUEKWUOQX-QFIPXVFZSA-N 441.528 2.934 0 40 IFAB COc1cccc([C@@H](CNC[C@@H](O)CN2CCOCC2)c2c[nH]c3ccccc23)c1OC 9729827 KAVXKBBNRLRKNZ-WIYYLYMNSA-N 439.556 2.600 0 40 IFAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733745 GWEUNFGQVWJZKB-CQSZACIVSA-N 441.550 2.811 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10217820 RDCRFRAVTVFIAV-YLJYHZDGSA-N 449.548 2.773 0 40 IFAB COc1ccc(OC)c([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)c1 10233192 BLNTZTVEQARMEB-OAQYLSRUSA-N 438.480 2.926 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@@H]4CCCO4)o3)cc2)C1 10970719 LZDURJFBXFJCPQ-ZQIUZPCESA-N 434.518 2.840 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 11173210 DERFWBODFNBVKY-INIZCTEOSA-N 448.541 2.606 0 40 IFAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)CCN2C(=O)CSC2=O)C1 12238407 LZSSTQGEOHKLNG-OAHLLOKOSA-N 425.514 2.754 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(C(F)(F)F)c1 12560824 SWUVLBKPLSRWJC-UHFFFAOYSA-N 430.404 2.684 0 40 IFAB C[C@@H]1Cc2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2N1S(C)(=O)=O 12774752 HBAKJXLRVXHLJA-LLVKDONJSA-N 433.555 2.689 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 12777032 FGUDJMCQKMYBKT-SFHVURJKSA-N 433.549 2.708 0 40 IFAB CCn1c(CN2CCN(c3ccccc3C)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 13041088 PJTNWNKSQWBTIT-UHFFFAOYSA-N 441.601 2.937 0 40 IFAB O=C(CN1CSCC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 13126001 ODFZOXGRDHGFBD-UHFFFAOYSA-N 431.508 2.731 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 13137749 ZDAXEPPOQBDPLT-UHFFFAOYSA-N 427.482 2.545 0 40 IFAB COc1ccc(/C=C(/NC(=O)c2ccc(OCC(C)C)cc2)C(=O)NCCCO)cc1 13372169 DEJWPMUUHWCWNO-PXLXIMEGSA-N 426.513 3.000 0 40 IFAB CCSc1nnc([C@@H]2CCCN(CC(=O)N3CCN(c4ccccc4)CC3)C2)n1CC 13565185 OXEDCSQECQJCGQ-LJQANCHMSA-N 442.633 2.938 0 40 IFAB Cn1nc(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2c1=O 14083867 DQRJUDXEIOELRC-UHFFFAOYSA-N 426.520 2.974 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1 16293352 MAXZXSRPHQPXBZ-UHFFFAOYSA-N 428.514 2.578 0 40 IFAB COC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850590 WVGKBHWDKMPTKZ-INIZCTEOSA-N 442.497 2.511 0 40 IFAB COC(=O)c1cc(-c2ccc(OC)c(C)c2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850595 LVRZNYLDQBKGGN-OAHLLOKOSA-N 429.498 2.870 0 40 IFAB CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O 17271963 KIBNMTOCHHWVSJ-UHFFFAOYSA-N 427.526 2.839 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)NC(=O)N[C@H]1c1ccco1 18219568 DDLRLTAVVNLCSS-INIZCTEOSA-N 449.803 2.869 0 40 IFAB Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)CN2CCCC2=O)on1 19123586 MQSICMWTLGPPRF-UHFFFAOYSA-N 448.527 2.657 0 40 IFAB C[C@H]1Cc2cc([C@@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497852 FJAINDJNBOOAJE-AOMKIAJQSA-N 448.560 2.553 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19689945 SUTXPMUKYYBOHD-QGZVFWFLSA-N 430.509 2.608 0 40 IFAB CN(CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1)Cc1ccc(F)cc1 19709848 HBLSRUOAEIELFE-HXUWFJFHSA-N 428.556 2.587 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCCN3C)nc2c1CN(C(C)=O)CC2 19710868 CEMOIWYRIFJMOF-QFIPXVFZSA-N 448.571 2.783 0 40 IFAB Cc1noc(CCC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)n1 19741552 CEQGERNMQMPKOA-QGZVFWFLSA-N 438.532 2.504 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1 20283421 JVCCLUXLGPXRNX-QFIPXVFZSA-N 426.561 2.808 0 40 IFAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccc(Cl)cc1Cl 20745042 RBUXHAZXNTZRPN-UHFFFAOYSA-N 433.295 2.637 0 40 IFAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1ccc(CN2CCOCC2)cc1 20745449 WOLRCSJGZRBCKI-UHFFFAOYSA-N 447.539 2.707 0 40 IFAB biogenic CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2ccsc2n1 20977216 URQFQQWHOMEUDO-MRXNPFEDSA-N 431.539 2.659 0 40 IFAB CN1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)c2cccn2C)CC1 21153152 SBSUHOMAMMEYQM-GOSISDBHSA-N 425.360 2.816 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CCN(C)CC2)cc1 22795645 MVWFESRPYJMWEO-OAQYLSRUSA-N 444.963 2.700 0 40 IFAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1Cl 23106978 VLDQQOVDDHJHNA-IBGZPJMESA-N 431.920 2.785 0 40 IFAB Cc1nnc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1C 23805480 DEAVJSGLIXCNPH-UHFFFAOYSA-N 434.875 2.632 0 40 IFAB COc1cccc(-c2nnn(-c3nc(CN4CCOCC4)nc4sc(C)c(C)c34)n2)c1 23989337 LANNBDSSCZIVLB-UHFFFAOYSA-N 437.529 2.792 0 40 IFAB Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1CCc1ccc(Cl)cc1 24508201 ZZUSJDVYMULFGL-UHFFFAOYSA-N 437.993 2.761 0 40 IFAB CCOC(=O)/C=c1\s/c(=C/c2ccccn2)c(=O)n1Cc1cccc(C(F)(F)F)c1 33655661 SWFDWLQPHLCQSY-HMQSQOOHSA-N 434.439 2.544 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)c1 34854162 ZDIUFFRMEWZMPC-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1cccnc1OCc1ccccc1 40121609 MMDXHUIIVMHMSN-UHFFFAOYSA-N 436.512 2.922 0 40 IFAB Cc1oc(C(=O)N2CCCN(Cc3cccs3)CC2)cc1S(=O)(=O)N1CCCC1 48311155 SNFGIAGROBRVMR-UHFFFAOYSA-N 437.587 2.782 0 40 IFAB Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CC2)on1 65503896 FVNZIWUCAUWCRW-UHFFFAOYSA-N 425.489 2.645 0 40 IFAB O=C(NC1CCCC1)c1nnn(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 71003528 VXVQMUWGRCNZAQ-CCEZHUSRSA-N 438.513 2.747 0 40 IFAB C[C@@H](C(=O)N1CCC[C@@H](C)C1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326603 SCCAHMZDCIOURH-GTQRCTGISA-N 432.952 2.851 0 40 IFAB CNc1cc([C@H]2CCCN(C(=O)Cc3cc(C)ccc3OC)C2)nc(CN(C)C(C)=O)n1 72370145 UBKZRANAERLLKK-SFHVURJKSA-N 439.560 2.762 0 40 IFAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(Br)cs1 96120531 CRUWCWPGCRQAKS-UHFFFAOYSA-N 444.376 2.736 0 40 IFAB O=C(NCCN1CCOCC1)c1cc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96154903 YMZRMOBJPMRUFF-UHFFFAOYSA-N 429.524 2.913 0 40 IFAB Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(Br)ccc21 100815851 BFTQGWPSBZFMGA-ZZEZOPTASA-N 430.283 2.726 0 40 IFAB Cc1cc(C)n2nc(SCC(=O)/N=c3/cc(-c4ccc(Cl)cc4)[nH]n3C)nc2n1 103138920 CHMWMUGTQRDQGH-JWGURIENSA-N 427.921 2.948 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 219014544 WBKJJINJLWZAKB-UHFFFAOYSA-N 428.514 2.633 0 40 IFAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)c1 224799389 VMCFYTCATBMKHC-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB Cc1ccc(CN(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1 225736806 OCQKEBIZGKHCLU-UHFFFAOYSA-N 428.605 2.995 0 40 IFAB COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccccc1Br 238818648 CBTROXUSANWWMR-GOSISDBHSA-N 426.332 2.960 0 40 IFAB CCc1ncnc(O[C@@H]2CCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)c1F 253473286 TZUAUDRVYIXJLL-MRXNPFEDSA-N 435.521 2.583 0 40 IFAB Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@]2(CCN(C(=O)c4ccsc4)C2)CC3)cc1 306128471 HBAFWILYCYXQFR-DEOSSOPVSA-N 448.548 2.731 0 40 IFAB CC(C)CC(=O)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306137972 RLJYASFDSYIFLP-QFIPXVFZSA-N 429.542 2.682 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(=O)NCC(C)C 408595720 STUBTRNSQIREMH-UHFFFAOYSA-N 429.586 2.887 0 40 IFAB COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408635903 JIRSQJQRSHSDEH-UHFFFAOYSA-N 440.949 2.692 0 40 IFAB O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br)Nc1ccc(F)cc1 409046664 LECWJVAPQKOUJL-RIYZIHGNSA-N 434.221 2.786 0 40 IFAB COc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1OCCn1cnnc1 585271111 JLZFZBQPKBSEOZ-XMMPIXPASA-N 438.528 2.772 0 40 IFAB Cc1ccccc1C(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1334978 JQTKXRGXLRUZQR-SFHVURJKSA-N 428.496 2.891 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)o1 8897365 LDGFJXSQHPRLEZ-MRXNPFEDSA-N 446.460 2.676 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9255882 IZRVOGUCJWOHCI-DFBJGRDBSA-N 449.507 2.809 0 40 IFAB CCn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nncs1 9289831 CINACKLXRAGZDM-UHFFFAOYSA-N 437.938 2.715 0 40 IFAB CCCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 9429659 LNISKEMQKNHOST-BWKNWUBXSA-N 432.524 2.803 0 40 IFAB O=c1[nH]c(CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)nc2ccccc12 9526201 BOZZSRVPKUWLRT-UHFFFAOYSA-N 447.524 2.981 0 40 IFAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 9662680 QITZTSXWCMGNPB-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 9963319 MSAFESFZHRUVHT-UHFFFAOYSA-N 433.392 2.778 0 40 IFAB COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 10273356 ANFXUVBVAXMVAL-GOSISDBHSA-N 434.901 2.903 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCC(C)CC3)CC1)NC2=O 12086514 TVJMROGWNJMYBW-AQBWWHDWSA-N 426.561 2.943 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccsc3)nc21 12236946 ZYBZFJOGHRKBFZ-UHFFFAOYSA-N 443.435 2.601 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)NC[C@H]1CCCO1)OCO2 12640579 NCCROUJPSDNMJU-OAHLLOKOSA-N 439.468 2.577 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 12897129 NHTXSFNQTYRIRI-LJQANCHMSA-N 445.585 2.577 0 40 IFAB CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 13072125 QNBUOLRNXIAQPO-LJQANCHMSA-N 433.501 2.861 0 40 IFAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 13097461 AOHOXPBCSHOUPP-UHFFFAOYSA-N 436.839 2.590 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c2ccccc2O1 13114247 UOLRLHBXHHATMZ-NRFANRHFSA-N 440.459 2.540 0 40 IFAB C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)N1C[C@@H](C)O[C@H](C)C1 13131833 UFXIZVWOEISXKD-OAGGEKHMSA-N 425.558 2.852 0 40 IFAB COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccccc1 13502504 XSNRONUIYZVFRB-HSZRJFAPSA-N 447.495 2.557 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1)[C@@H]1CCCO1 13516913 SSNLAAFOOCTZLD-PMACEKPBSA-N 444.509 2.754 0 40 IFAB CCc1ccc(N(CC(=O)N2CCC(C(=O)OC)CC2)S(=O)(=O)c2ccccc2)cc1 13670859 WNRHMCBEAKPUFE-UHFFFAOYSA-N 444.553 2.856 0 40 IFAB CC(C)c1nc(N2CCC(NC(=O)CCCn3cncn3)CC2)ncc1-c1ccncc1 19451613 CDTYSRMGJPESKA-UHFFFAOYSA-N 434.548 2.819 0 40 IFAB Cc1cc(N2CCO[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)nc(C)n1 19702847 KOCKEQBKZOXGLM-KRWDZBQOSA-N 439.541 2.753 0 40 IFAB CNc1nc([C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)nc2c1CN(C)CC2 19710532 FHDGWEZPGXGRRG-LJQANCHMSA-N 443.617 2.648 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)c4ccccn4)C3)nc2C)c1 19757897 LSHNFTDVPZTLRV-SFHVURJKSA-N 431.496 2.748 0 40 IFAB CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4ccncc4)C3)nc3ccccc23)CC1 19759179 OGCRPYFTWCCKJB-LJQANCHMSA-N 429.524 2.647 0 40 IFAB CCn1c(SCC(=O)NCCc2ccccc2)nc2sc3c(c2c1=O)CCN(C)C3 20291291 CVXKZFZOXXAXPZ-UHFFFAOYSA-N 442.610 2.917 0 40 IFAB Cc1cc(OCCN2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCOCC1)C2 20504641 MURWICCYIKIFFU-PZJWPPBQSA-N 430.589 2.614 0 40 IFAB biogenic,in-vitro C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCOCC1 20547016 AMBWPOIYABDKHE-AWEZNQCLSA-N 434.920 2.541 0 40 IFAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 22780927 DGHMBXABBHDLBQ-RUZDIDTESA-N 446.551 2.568 0 40 IFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 23317368 IXRFYKALBRLOGD-IBGZPJMESA-N 449.555 2.529 0 40 IFAB O=C(CCCNC(=O)NC1CCCCC1)NCc1nnc2ccc(C(F)(F)F)cn12 24776323 DWZRFJUQKILKCB-UHFFFAOYSA-N 426.443 2.776 0 40 IFAB CC[C@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)Nc1ccccc1 24835010 LWJFPYFQENRSAP-INIZCTEOSA-N 445.522 2.872 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2C1=O 25562514 YQMGEEXVRVVWDV-IBGZPJMESA-N 441.553 2.948 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1ccccc1Cn1cccn1 27254335 PVVWPHCSTQEGKS-UHFFFAOYSA-N 444.582 2.636 0 40 IFAB C[C@H](NC(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1cccc2ccccc12 27986709 JLOWUUWAPYHJSA-INIZCTEOSA-N 437.496 2.815 0 40 IFAB CSc1ncc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1-c1ccc(F)cc1 29348504 NZJNWPDGPBPZAC-FQEVSTJZSA-N 436.578 2.671 0 40 IFAB NS(=O)(=O)Nc1cccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 32754054 XLZWPILFNROIIN-UHFFFAOYSA-N 436.946 2.938 0 40 IFAB COc1cc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1 32910544 JCLPPWVWLMQYQK-UHFFFAOYSA-N 430.501 2.518 0 40 IFAB CCN(CC)C(=O)CSc1ncc2c(n1)-c1cc(Cl)ccc1N(C)S2(=O)=O 33265363 JBLRWNJVIUAZQK-UHFFFAOYSA-N 426.951 2.896 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)N[C@H](CO)Cc1ccccc1 33582578 SBXWHQUQXVVNPN-NFBGKYEXSA-N 428.485 2.972 0 40 IFAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 37477368 KVJOZXVKUIKRRD-INIZCTEOSA-N 427.998 2.874 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc(C(C)C)c4)cnc32)c1 40478167 IWDZLIWOBPLDNS-UHFFFAOYSA-N 432.484 2.807 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCCC2)c1 48264435 YKTRSKKUDLTTGA-NQIIRXRSSA-N 430.549 2.696 0 40 IFAB COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 49406352 JRRLFRJAEULMOW-UHFFFAOYSA-N 433.512 2.927 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318437 FUGKMBCGSIMEQA-HSZRJFAPSA-N 434.540 2.907 0 40 IFAB C[C@H]1CN(c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 62580898 RVHRNLKEYXCGMR-HDICACEKSA-N 446.573 2.541 0 40 IFAB COc1ccc(Cl)cc1NC(=O)Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O 77199976 GHEFQQPYGJVQMP-UHFFFAOYSA-N 438.831 2.656 0 40 IFAB CCN1C(=O)[C@@H]2CN(C(=O)c3cn(-c4ccc(C)cc4)nc3-c3ccccc3)CCN2C1=O 79026163 NRIBAHPJORDQIQ-NRFANRHFSA-N 443.507 2.956 0 40 IFAB CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 79096926 QVHADFREIULRHE-QZTJIDSGSA-N 433.553 2.964 0 40 IFAB CCCC[C@H](C(=O)NCc1cccc(NC(=O)c2ccco2)c1)N1CCCS1(=O)=O 89950252 KWNFJBUESWJKNS-GOSISDBHSA-N 433.530 2.742 0 40 IFAB COCCN(C)c1nc(C2CCN(C(=O)c3cnccn3)CC2)cc2c1ncn2C(C)C 96100036 DVNOIJIZZXMVFT-UHFFFAOYSA-N 437.548 2.905 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1N1CCCC1=O 219230042 YVIFFBLEMIHFGO-UHFFFAOYSA-N 442.497 2.659 0 40 IFAB COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 223362664 ANIDWBOKFONQAV-UHFFFAOYSA-N 445.585 2.819 0 40 IFAB CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)s1 223884329 MDIYTSQGKHDRNP-UHFFFAOYSA-N 444.579 2.970 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 224815766 CXZIPSODSYMYFH-UHFFFAOYSA-N 436.505 2.502 0 40 IFAB CC(C)(C)C(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225428158 TWHWWQOWCKRBPN-UHFFFAOYSA-N 443.617 2.716 0 40 IFAB biogenic,in-vitro Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257208152 BKYWLISPJLDDPT-GOSISDBHSA-N 447.495 2.936 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(C(=O)CC4CC4)C[C@H]3c3cccnc3)C2=O)cc1 306140484 UUTHQYLCAFLYSY-DHLKQENFSA-N 435.524 2.614 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@H]2c2ccccc2)cc1 409058701 KKYJVAULILEZAY-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H](Oc2ccncc2)C1 575611641 FHAINLLEIJLUAI-FQEVSTJZSA-N 429.542 2.940 0 40 IFAB Cn1cc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NCC3CCOCC3)C2)c2ccccc21 585095120 ADFYKMCDHSXIJO-IBGZPJMESA-N 435.528 2.505 0 40 IFAB COc1ccc([C@H](CNC(=O)N2CCN(C(=O)c3ccco3)CC2)N2CCCC2)cc1 606149945 VBMHWXPWFIGZOF-FQEVSTJZSA-N 426.517 2.593 0 40 IFAB C[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1158893092 XDBVEAOAVYTDSX-SNVBAGLBSA-N 433.299 2.692 0 40 IFAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)cc2)C1 1168504310 GTNBJHYRALOSGZ-FQEVSTJZSA-N 429.524 2.879 0 40 IFAB CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)NCc1ccc(N2CCNC2=O)cc1 1633200019 WONRSURSUYWEGD-FQEVSTJZSA-N 436.512 2.880 0 40 IFAB CN1CCN(Cc2ccccc2)[C@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)C1 1658363011 RAQSSXZXYFMVTA-HXUWFJFHSA-N 428.943 2.966 0 40 IFAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H]1O)O2 1848354835 NFCTUFYVGUWXGE-HMWDHGCWSA-N 431.554 2.572 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 958831 XFFKPTNETOYKDG-LBPRGKRZSA-N 426.498 2.793 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCc1nc2ccccc2s1 3289139 WGUXKPKKUQFRGG-UHFFFAOYSA-N 438.552 2.665 0 40 IFAB COc1ccc(CN2CCC(CN[C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 4772622 IAGJDOICEJZWKJ-QFIPXVFZSA-N 425.504 2.968 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(Br)cc2)ccc1OCC(N)=O 9112345 YODYDFHVOVTDLR-YCRREMRBSA-N 448.269 2.761 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9223335 NLEPNVREIJWKOL-UHFFFAOYSA-N 436.555 2.582 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1C 9447883 ORWWESBJQOWRHU-UHFFFAOYSA-N 446.500 2.683 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(C)(=O)=O)cc2)c1C 9463928 ZVDYDUMMBIZODQ-IBGZPJMESA-N 444.553 2.967 0 40 IFAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1S(=O)(=O)NC1CC1 9469164 PJHMLKFEYBISLL-UHFFFAOYSA-N 443.569 2.715 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 9579019 UATQOIKFBBCYNK-IBGZPJMESA-N 444.553 2.702 0 40 IFAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 9666761 REBHIRRCRVXRFA-OFNKIYASSA-N 441.484 2.721 0 40 IFAB CC(C)[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)CCc1nn(C)c(=O)c2ccccc12 12142061 NBGCUGAFFIMTOO-LJQANCHMSA-N 434.496 2.615 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N 12348794 JTMYAMRFKZORGD-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1NS(C)(=O)=O 12520984 AIPPYGIEJPYGMP-OKILXGFUSA-N 438.575 2.685 0 40 IFAB C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NCC1CCCCC1 12924565 XNAGRWJWPXRLED-GFCCVEGCSA-N 443.573 2.869 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC2(c3ccccc3)CCC2)cc1 12938314 KFBNVGBKKCGZOQ-MRXNPFEDSA-N 429.542 2.550 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 13042257 ODIIGLQFCAKPIV-UHFFFAOYSA-N 432.907 2.526 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13165138 JSQKXMAIWPYSOX-RTBURBONSA-N 433.512 2.951 0 40 IFAB COc1ccccc1CNCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 14361393 DPOSFGNIAHNVMN-UHFFFAOYSA-N 431.558 2.907 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2ncnc3c2cnn3C)CC1 14813275 JPFHKZOOJLZGIF-GFCCVEGCSA-N 434.331 2.819 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 15934643 JPTKBPLPXVYBSR-CQSZACIVSA-N 431.439 2.814 0 40 IFAB O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccccc1 15957843 KXZMMDGXIUQYNM-MSZDEVHKSA-N 439.471 2.560 0 40 IFAB biogenic O=C(C1CCC(CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 16033738 RDMNATBELOOMFB-RRDHRZETSA-N 434.602 2.925 0 40 IFAB Cc1cc(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1C(C)C 16179692 VESMIPMIYHUGDU-UHFFFAOYSA-N 440.569 2.911 0 40 IFAB COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16194296 ANMBUDPKEVEEMX-UHFFFAOYSA-N 432.498 2.712 0 40 IFAB Cc1ccccc1C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O 16850562 FRFXYQWQTYBSKE-UHFFFAOYSA-N 449.482 2.761 0 40 IFAB COc1ccccc1CCC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694801 HOVHUAWXYYEIOL-SFHVURJKSA-N 432.528 2.957 0 40 IFAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)CCCN4C(=O)c3cccnc3)ccc2N1 19819133 HBLWVYDTJKINJZ-UHFFFAOYSA-N 448.504 2.970 0 40 IFAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 20020595 JMPWOVIMLFBZCE-HNNXBMFYSA-N 438.933 2.617 0 40 IFAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 20111278 LVIFPYAXBURNFO-INIZCTEOSA-N 448.541 2.606 0 40 IFAB O=C(NCCCN1CCCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 20457665 ZNSFHMPTCRYWRL-UHFFFAOYSA-N 442.025 2.874 0 40 IFAB CCOC(=O)c1c(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)sc2c1CCC2 20589543 OLZDANFOCVBNKW-UHFFFAOYSA-N 441.553 2.696 0 40 IFAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1 22232283 MBTJQJJAORILRL-UHFFFAOYSA-N 438.933 2.544 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22516423 YJPYFGUMIDEDAE-OAQYLSRUSA-N 430.570 2.986 0 40 IFAB O=c1[nH]c2c(cc1CNCCN1CCOCC1)c(-c1cccc(F)c1)nn2-c1ccccc1 22795227 HBOPXPCOGLJDNK-UHFFFAOYSA-N 447.514 2.942 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 23652086 JEKRSHRZYLXBIU-UHFFFAOYSA-N 446.525 2.531 0 40 IFAB COc1ccccc1[C@H](CNC(=O)CCc1c(C)nc2nc(SC)nn2c1C)N(C)C 23737054 XJXUJMXRHAIUOJ-SFHVURJKSA-N 442.589 2.823 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCCc1ccccc1 24747431 SKVOCSPBBWZLQP-UHFFFAOYSA-N 434.583 2.930 0 40 IFAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CCn2c(=O)oc3ccccc32)CC1 26913043 SSYAAWAQKCDHNY-HXUWFJFHSA-N 429.904 2.780 0 40 IFAB COc1ccc([C@@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(OC)c1 30281746 VYVYCSCSUYWEIC-KRWDZBQOSA-N 429.498 2.851 0 40 IFAB O=C(CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Br)cc1F 32071885 ICYSWCNDXYPZPL-LBPRGKRZSA-N 434.265 2.696 0 40 IFAB CN1C(=O)N(CC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)C(=O)C12CCCCC2 32796671 IWWZWRRFUNTIKD-UHFFFAOYSA-N 432.484 2.956 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1OC 33646039 QSELVUKPESBAGZ-LLVKDONJSA-N 443.319 2.772 0 40 IFAB CC(=O)N[C@H]1[C@@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 35056766 FYTGFTLKWMSTHB-NENAYYCWSA-N 425.437 2.516 0 40 IFAB Cc1cc(OC(F)F)ccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 35395534 KUZJMJJQHNBENR-UHFFFAOYSA-N 439.484 2.541 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 35421725 XNGSYTQVOGQPHW-VQTJNVASSA-N 429.586 2.610 0 40 IFAB CC(C)CNC(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 36359463 UCWDOZWDEFTUED-UHFFFAOYSA-N 433.936 2.766 0 40 IFAB CCOC(=O)c1cc(C)n(CC(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1C 40135129 SXURHQXKAVJXQZ-UHFFFAOYSA-N 440.544 2.678 0 40 IFAB O=C(CN1CCN(CCCS(=O)(=O)c2ccccc2)CC1)Nc1ccccc1Cl 40152882 CACYOIHCTKXLCN-UHFFFAOYSA-N 435.977 2.760 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCSCC3)sc2c1=O 45970716 UGTDRFFSDFSMGL-UHFFFAOYSA-N 429.571 2.916 0 40 IFAB O=c1cnc2ccccc2n1CCS(=O)(=O)NCc1ccc(CN2CCCCC2)cc1 48312863 QLJIFRKIFDTLBH-UHFFFAOYSA-N 440.569 2.502 0 40 IFAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)nn2)c1 49343621 QJIJBNLSVVDZSY-UHFFFAOYSA-N 429.484 2.956 0 40 IFAB C[C@H]1CN(c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C[C@H](C)O1 62580900 RVHRNLKEYXCGMR-ROUUACIJSA-N 446.573 2.541 0 40 IFAB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cncc(Br)c1 69394452 KOPGDBCFTASYRU-UHFFFAOYSA-N 427.096 2.734 0 40 IFAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)cc2c1OCCCO2 85877169 DVRYPIWFXPKVOI-QGZVFWFLSA-N 437.452 2.666 0 40 IFAB biogenic C[C@@H](NC(=O)c1cc(Br)ncc1F)c1ccc(S(=O)(=O)N(C)C)cc1 95465183 IDHUUBZADJXEDO-SNVBAGLBSA-N 430.299 2.725 0 40 IFAB CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1cccc(Cl)c1)Cn1ccnc12 96144667 CTOXIIJJFJLPPO-QGZVFWFLSA-N 431.924 2.983 0 40 IFAB COc1cc(/C=c2/s/c(=C\C(=O)c3ccccc3C)n(C)c2=O)cc(Cl)c1OC 96766082 WNSRDGACWLGEHH-ZZUVKVOASA-N 429.925 2.918 0 40 IFAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 100166058 YDAZWDQJHIXODA-OTWHNJEPSA-N 442.313 2.993 0 40 IFAB CCOc1ccccc1NC(=O)[C@H]1SC(Nc2ccccc2OC)=C(C(N)=O)C1=N 102179201 ZRWQUZSIMRKMGN-SFHVURJKSA-N 426.498 2.977 0 40 IFAB COC(=O)COc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 197608677 ZXVMGEOCIMECHZ-SXGWCWSVSA-N 430.869 2.671 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O 206637290 NMZAXJKUYSRADO-UHFFFAOYSA-N 448.310 2.944 0 40 IFAB O=S(=O)(Cc1cccc(Br)c1)NCc1cccc(CN2CCOCC2)c1 224752217 BKAXGYDJHPFUKN-UHFFFAOYSA-N 439.375 2.901 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccc(F)c(F)c1 224774660 IKXQEVJHYLDPGL-UHFFFAOYSA-N 437.512 2.643 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN3CCCCCC3)s2)c1 224977631 FHIZOUFWDJUDQM-UHFFFAOYSA-N 437.591 2.643 0 40 IFAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)COCC2)C1(c2ccccc2)CCOCC1 225581158 UCEYWURZTYKBBI-UHFFFAOYSA-N 435.446 2.975 0 40 IFAB COc1ccc(OC)c(C(=O)N2CC[C@@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)c1 257203625 AQXGACYEECHUCY-MRXNPFEDSA-N 438.528 2.561 0 40 IFAB COc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1CN1CCOCC1 257323403 WKACZOMEVOCBMB-UHFFFAOYSA-N 438.933 2.608 0 40 IFAB COc1cccc(CN(C)CC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1 257338762 YYWDHNJVFXMCIA-OAQYLSRUSA-N 448.527 2.656 0 40 IFAB COc1ccc(CN2C[C@H]3Cn4c(nnc4C(=O)Nc4ccc(OC)cc4)C[C@H]3C2)cc1 306142478 XAIVECPQYJGDFL-ROUUACIJSA-N 433.512 2.852 0 40 IFAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 511032567 RLUXTJBOROTDOP-QFIPXVFZSA-N 448.560 2.740 0 40 IFAB Cc1csc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 524733430 RFIDEAYIVKHWSV-NRFANRHFSA-N 432.505 2.925 0 40 IFAB COCC12CCCCN(C(=O)CCN(C)C)CCOc3ccccc3C(=O)N(CC1)CC2 643575620 SSCFDJIRBBLIBW-UHFFFAOYSA-N 445.604 2.898 0 40 IFAB O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)N1 1669117867 YAZBDFQDZQDMIC-XJKSGUPXSA-N 439.390 2.642 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889264522 BOFONKUWYBWXAF-UHFFFAOYSA-N 431.452 2.517 0 40 IFAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC[C@]1(O)CCCN(c2ccccn2)C1 2037879989 FWOXCOGZQHJJFJ-HXUWFJFHSA-N 433.434 2.598 0 40 IFAB CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 1451328 GMHKUHMVYHCCRE-WQRHYEAKSA-N 425.897 2.702 0 40 IFAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)NCc1ccc2c(c1)OCO2 8861742 HAYBYOMOTBAZSL-UHFFFAOYSA-N 435.465 2.658 0 40 IFAB COc1ccc([C@H](CC(=O)O)NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1OC 8877841 MEPLPZLIELFINS-KRWDZBQOSA-N 441.436 2.699 0 40 IFAB biogenic CCOc1ncccc1C(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccccn1 8992373 ULDIDWOCMHADCR-UHFFFAOYSA-N 446.573 2.724 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]12 9266222 DAOJFFLKJUBXET-PBWVOLNLSA-N 425.485 2.504 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1C 9351651 VONNGIQKNWJOQV-AWEZNQCLSA-N 439.921 2.591 0 40 IFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O 9512428 KUVXYLYSUNSDPR-WNSKOXEYSA-N 438.484 2.649 0 40 IFAB NC(=O)C1CCN(C(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)CC1 9614593 JYKHIOYUCXZTCY-QHCPKHFHSA-N 430.508 2.827 0 40 IFAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)N1CCC(Cc2ccccc2)CC1 9726777 GKZBBVARHXQNQD-GOSISDBHSA-N 449.598 2.620 0 40 IFAB CC(C)Nc1nnc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)s1 9921409 KNRJCMMTCAFOMF-CQSZACIVSA-N 426.589 2.671 0 40 IFAB C[C@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 9951826 CQGFNRHQUNATHP-QWHCGFSZSA-N 435.527 2.763 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1Cl 10359902 DVRJYIDHCNJZEA-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB C[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 11358263 WAHFSBHBHORZBE-CYBMUJFWSA-N 433.511 2.577 0 40 IFAB CC1CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 11714195 XKOICMAHNMYMQL-IBGZPJMESA-N 430.014 2.881 0 40 IFAB Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)s1 12787923 CETJPTDCWUEYCS-LJQANCHMSA-N 428.510 2.530 0 40 IFAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C 12849448 PAUWUTPQRXWWKD-MOPGFXCFSA-N 433.574 2.750 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 12857718 WTTWOWVIXKFTMF-KRWDZBQOSA-N 440.569 2.943 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=S 13015972 VQQBBLWIPNSOPK-SFHVURJKSA-N 442.566 2.559 0 40 IFAB COc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(C)=O)CC1 13084875 WEVXHYCKFVNGRM-OAQYLSRUSA-N 438.528 2.555 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(=O)N3)cc1 13123401 CMRGKYASWFPKOB-OAHLLOKOSA-N 433.877 2.673 0 40 IFAB CCOc1cc(C(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc(OCC)c1OCC 13135060 LBPPJSQQSHECHC-UHFFFAOYSA-N 438.502 2.791 0 40 IFAB COc1ccc(-c2nc(CC(=O)N3CCN(c4ncccn4)CC3)cs2)cc1OC 13719741 CDOFALRJEFEDES-UHFFFAOYSA-N 425.514 2.509 0 40 IFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 14254616 YYYHVXNLMATPBE-UHFFFAOYSA-N 440.544 2.574 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)n1 16047017 OPWRJCUFWLOHBF-QHCPKHFHSA-N 429.484 2.789 0 40 IFAB CC[C@@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)Nc2c(C)nn(C)c2C)C1=O 19500860 IDQDXHAZYVPIMX-JTSKRJEESA-N 438.484 2.854 0 40 IFAB COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4ccccn4)C3)nc(O)c2C1 19570603 UFGZFMLEYUQMRY-GOSISDBHSA-N 445.523 2.774 0 40 IFAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)Cc3c[nH]c4ccccc34)n2)CC1=O 19697371 CRTCVKGYLNOCKT-SFHVURJKSA-N 448.571 2.949 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1ccc(N3CCCC3=O)cc1)C2 19707399 YYWOWMKQSVRXQW-JOCHJYFZSA-N 448.571 2.887 0 40 IFAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(O)c(C(=O)O)c1 20152603 ZHTQAMGSYFDKPD-UHFFFAOYSA-N 425.260 2.988 0 40 IFAB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 20566591 ZTJBMVGUEXXISD-QFQXNSOFSA-N 446.551 2.797 0 40 IFAB CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1ccc(F)cc1 24987894 WREZKSUXQITNFZ-LJQANCHMSA-N 448.516 2.971 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1ccc(OC(F)(F)F)cc1 32814347 IGHBFYPAQMRTHP-UHFFFAOYSA-N 427.360 2.576 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 34857781 SZQPBJPYZSIVNV-GCJKJVERSA-N 429.586 2.841 0 40 IFAB CCc1ccc(NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 34878703 GXWZOQWYYLHQKV-INIZCTEOSA-N 448.614 2.699 0 40 IFAB O=C(CN1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)CC1)Nc1ccccc1Cl 36385057 IDCDGNNFFKDICG-LJQANCHMSA-N 427.888 2.725 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCN(CC(C)C)CC1 40160078 ULYAXDWUWJTKSD-UHFFFAOYSA-N 435.524 2.905 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(F)cc1 40477145 DIWUOJPSKIREJB-UHFFFAOYSA-N 446.364 2.833 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318442 YKBPTKBATPJGHS-QHCPKHFHSA-N 434.540 2.907 0 40 IFAB CCCCn1nccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 58215798 UQOIYCKPVDRLEG-UHFFFAOYSA-N 448.545 2.509 0 40 IFAB Cc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2N)cc1 71771776 YTKKMRNUUCSVOI-UHFFFAOYSA-N 427.505 2.666 0 40 IFAB Cc1cc2c(cc3c(=O)n(CC(=O)N4CCN(Cc5ccccc5)CC4)nc(C)n32)s1 72334628 KATBCNBZGXCWLL-UHFFFAOYSA-N 435.553 2.672 0 40 IFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 72339225 OPPOWRYJUILWOL-RFVJQGCGSA-N 429.561 2.798 0 40 IFAB CN1CCC(CNS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)CC1 72345809 AESLBUHWGUKVPQ-JOCHJYFZSA-N 427.570 2.724 0 40 IFAB CC(=O)N1CCC(Cc2cc(-c3ccc(F)cc3)no2)(C(=O)N2CCC(O)CC2)CC1 72395291 CDTNAOKCVCZCMC-UHFFFAOYSA-N 429.492 2.635 0 40 IFAB CCOC(=O)Cn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100877367 YMFMDCQMXQAEEH-QYBKTFOTSA-N 444.534 2.810 0 40 IFAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2CCCN21 104257949 JEFJLBXDTAVNAR-AIFLQVKLSA-N 431.492 2.743 0 40 IFAB CCC(CC)[C@H](CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCOCC1 106548504 GBUUHRBHCGVYAV-CMOCDZPBSA-N 447.620 2.606 0 40 IFAB O=C(COC(=O)c1cccnc1SCC(=O)N1CCCC1)c1ccc2c(c1)OCO2 215690528 JIXLYMXCXHCFEJ-UHFFFAOYSA-N 428.466 2.565 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222480099 IFFQKUKLEQXGFG-IBGZPJMESA-N 445.585 2.705 0 40 IFAB CCc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 223438951 TWSVSNYGNKEKLP-UHFFFAOYSA-N 430.570 2.880 0 40 IFAB CCc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)ccc1OC 223685779 DTLRWPFCAIUPFW-UHFFFAOYSA-N 442.559 2.754 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C1 257229592 FYRWWVZTOJIVDU-STDZQVJPSA-N 425.529 2.776 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668072 UTHDEBGEEMUFSE-WPCMGHOJSA-N 426.513 2.786 0 40 IFAB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C2)OC(=O)[C@@H]1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 504437655 OPYGUEHXILVUGD-IRGPEDAMSA-N 438.568 2.794 0 40 IFAB biogenic O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(-c4cnco4)cc3)cc2)C1 615954179 XSQVSDXTGUZJKQ-CQSZACIVSA-N 427.438 2.580 0 40 IFAB COc1ccc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1 2056226337 PKZYTYLEQQQCQL-GMAHTHKFSA-N 432.467 2.650 0 40 IFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3443035 UALVXWHVMYZAFN-UHFFFAOYSA-N 444.444 2.794 0 40 IFAB COc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)cc(OC)c1OC 3450197 KRLHUOGEEHCXQY-UHFFFAOYSA-N 433.465 2.555 0 40 IFAB CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1 4897681 LZRNRACGBGYEAS-QFIPXVFZSA-N 425.504 2.602 0 40 IFAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)N1CCN(c2ccccc2)CC1 8769541 DBMMSQCNNYUYCQ-UHFFFAOYSA-N 432.524 2.799 0 40 IFAB COc1ccc(CN(C)C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)cc1 8772045 SLXIMNVLRAKJAC-UHFFFAOYSA-N 441.347 2.980 0 40 IFAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C 9632681 PHNYEVAYSOWXDT-UHFFFAOYSA-N 449.500 2.812 0 40 IFAB Cc1cc(F)ccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 9645936 GBJZTXZBARBPTD-UHFFFAOYSA-N 447.488 2.855 0 40 IFAB CC1=NN(Cc2ccc(C)cc2)c2nc3c(c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)n2C1 9707508 KMOAZVDLGDCSGQ-UHFFFAOYSA-N 442.523 2.958 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(CC)cc1 9761653 HLFJVSHKZABIRO-UHFFFAOYSA-N 428.466 2.739 0 40 IFAB COCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 9845886 BOZBZTWBVHBGIT-UHFFFAOYSA-N 428.913 2.823 0 40 IFAB Cc1cccc(CCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 10110820 QSXKQXHFMUDWGQ-KRWDZBQOSA-N 432.542 2.670 0 40 IFAB C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccc(Cl)cc1 10685041 BEBHSFWYVJMRQM-LBPRGKRZSA-N 435.889 2.539 0 40 IFAB COc1cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O 11446231 NUVUHXKIWWQUBY-HXUWFJFHSA-N 434.496 2.989 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2)c1C 12536121 HKERUKAEJWMEAE-UHFFFAOYSA-N 429.542 2.847 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)NC(=O)c1ccco1 12632346 SSMGJCKFACXSSM-HNNXBMFYSA-N 431.489 2.671 0 40 IFAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O 12874989 HBDNFYDUHOMSDI-KXBFYZLASA-N 437.265 2.795 0 40 IFAB O=C(CSCc1cccc(F)c1F)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12888607 ZTBUPUXHERSSTE-UHFFFAOYSA-N 442.509 2.858 0 40 IFAB COc1cc(OC)cc(C(=O)NCCOc2ccc3nnc(-c4ccccc4OC)n3n2)c1 13525840 IOPOFOJUZXIFRE-UHFFFAOYSA-N 449.467 2.626 0 40 IFAB COc1ccc([C@H](CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)N(C)C)cc1 15534285 MSJBJXJXTFSQON-INIZCTEOSA-N 426.542 2.754 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)Nc3nnc(C)s3)cs2)cc1 16848550 KWOBEMGQPOZGLA-UHFFFAOYSA-N 439.544 2.684 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc(=O)n(C)c1 16849509 NFCBXYVJNAPXQC-UHFFFAOYSA-N 439.419 2.810 0 40 IFAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1 17026610 SSYZFGOXKKDUJZ-UHFFFAOYSA-N 442.497 2.627 0 40 IFAB COc1ccc(N[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 18942460 XWSVOFNXXLKAAV-XSXQVXRUSA-N 435.590 2.831 0 40 IFAB CC(=O)N1CCCN(C(=O)c2cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)no2)CC1 19017631 FWTWWEDMFSZLEL-LJQANCHMSA-N 430.549 2.655 0 40 IFAB O=C(CCCS(=O)(=O)c1ccccc1)N1CCO[C@H](c2ccc(-c3cn[nH]c3)cn2)C1 19692491 KZWOTHALQIJRBI-NRFANRHFSA-N 440.525 2.626 0 40 IFAB COc1cccc(Cn2nc3n(C(C)C)c(=O)c4ccc(C(=O)NC(C)C)cc4n3c2=O)c1 23126111 FATKTJNAVMRJKQ-UHFFFAOYSA-N 449.511 2.587 0 40 IFAB Cn1nc2c(c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(Cl)s3)C1)CCC2 23135745 SWPQUKVSJDHBMN-LLVKDONJSA-N 428.967 2.663 0 40 IFAB COC(=O)C1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CCCCC1 25177036 VRVYAMQNDZYLHS-HNNXBMFYSA-N 442.965 2.733 0 40 IFAB CCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1OC 27023068 KAGBXHXEROPFGA-KGENOOAVSA-N 434.517 2.970 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 30858012 AJCRZBXUOVKQKA-UHFFFAOYSA-N 431.558 2.802 0 40 IFAB COc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)c1 31357958 YUNKFJLMUODPJY-UHFFFAOYSA-N 437.949 2.561 0 40 IFAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(c2ncc(Br)cn2)CC1 32073114 CESURKBQAQQHRQ-KRWDZBQOSA-N 430.306 2.977 0 40 IFAB COc1cc(CN(C(=O)CCn2nnc3ccccc3c2=O)C2CC2)ccc1OC(F)F 32836894 PHEHWQVKSNBSHP-UHFFFAOYSA-N 444.438 2.983 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 32907649 FDSKNOJIDBMZLO-UHFFFAOYSA-N 436.603 2.512 0 40 IFAB CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 35380003 ZCMDEGPNAZFRRA-HXUWFJFHSA-N 448.523 2.880 0 40 IFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 36676928 VFIZVVKLMJYHSO-SANMLTNESA-N 442.519 2.956 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cn4ccnc4C)cc3)CC2)cc1 44910532 VHVAPSGQNNSMFK-UHFFFAOYSA-N 438.553 2.695 0 40 IFAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)n1 48236950 RFNRBQQCVIRMBL-VOIUYBSRSA-N 437.544 2.641 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)SCCC4)CC1 49403693 JLUYFVNLEZYWGH-UHFFFAOYSA-N 436.537 2.863 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 64986223 BFDMFCOYYKTBOP-QFIPXVFZSA-N 438.505 2.968 0 40 IFAB COc1cccc(N2C[C@H](C(=O)N3CCC[C@@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 77197818 RWYPBYFFMVGDKY-CHWSQXEVSA-N 438.406 2.856 0 40 IFAB COc1cc(NC2CCN(C(=O)c3cc(S(N)(=O)=O)cc(C)c3C)CC2)cc(OC)c1 89585569 QHRKQBXDWODFBX-UHFFFAOYSA-N 447.557 2.685 0 40 IFAB Cc1nc(COc2ccccc2/C=C/C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cs1 89712522 BBNPYWJQJLMUMV-BQYQJAHWSA-N 440.525 2.587 0 40 IFAB COCCCOc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 95964253 MAGOZFMTNUYNGI-UHFFFAOYSA-N 425.485 2.597 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1C 96287049 QRKHBFAMMHEZTB-RYQLBKOJSA-N 449.573 2.528 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Br)cc3)[C@@]2(CO)C(=O)O)cc1 218230323 UVYHYDKSNCCIEB-LZLYRXPVSA-N 425.300 2.761 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1OC 222731074 SYTWFVLPCVWDQF-WIYYLYMNSA-N 440.540 2.959 0 40 IFAB CC(=O)Nc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 223266773 MSNFPMQIZPDHQL-UHFFFAOYSA-N 431.499 2.858 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1Cl 223992224 XLILXCKZKITAAN-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 226401490 NQAKXRMWKLZAAY-PDCGBLAGSA-N 432.398 2.795 0 40 IFAB O=C(O)[C@@H]1CCCN1C(=O)CC12C[C@@H]3C[C@H](C1)CC(CC(=O)N1CCC[C@@H]1C(=O)O)(C3)C2 256055301 BCSUFOPZBYZULJ-VABIAQQQSA-N 446.544 2.504 0 40 IFAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CN2CCCC2=O)CC1 257260020 LBAFIQBAJSPAJX-UHFFFAOYSA-N 448.567 2.658 0 40 IFAB COc1ccccc1Cc1cnc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)o1 257289106 PWZNTSKICQIUKN-QGZVFWFLSA-N 430.530 2.884 0 40 IFAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408675664 BKEZGBOKVZQDEC-ZOWQKVPBSA-N 430.504 2.562 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 409146939 UAQIZAXXLQBCPJ-UHFFFAOYSA-N 439.940 2.902 0 40 IFAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2cc(OC)c(OC)c(OC)c2)c1O 1547212439 YGBLADJCFCXUMV-INIZCTEOSA-N 449.500 2.620 0 40 IFAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCC2)cc1 933301 YULWGJZTHLCTAO-UHFFFAOYSA-N 435.571 2.656 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 1289402 QCKDSAROWPDEBU-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2c1 1373093 LFQMBXXXLYWBFS-IBGZPJMESA-N 434.500 2.646 0 40 IFAB CCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2OC)n(C)c1=O 4249398 KXXLXKIYVHMJBU-UHFFFAOYSA-N 427.505 2.646 0 40 IFAB COc1ccc(C(=O)N(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 8763797 AOJNDBLKJNANFH-UHFFFAOYSA-N 442.449 2.764 0 40 IFAB COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)c1 9111165 INQSQBSMIYZDRJ-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)N1CCc2ccccc2C1 9327797 XHDJMLKTUHWINK-UHFFFAOYSA-N 439.516 2.812 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)Nc2cccnc2)c1 9443561 RQLVDYXTJFEDFV-UHFFFAOYSA-N 449.602 2.758 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9579911 QAQZINXGTYXICU-UHFFFAOYSA-N 431.418 2.549 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 10022924 TWEPDOUGUAVDIC-NWDGAFQWSA-N 436.559 2.532 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)o1 10187047 JJGKRLLKHSJPFP-CYBMUJFWSA-N 434.499 2.599 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 10542002 GLQUYABAGTWRRM-UHFFFAOYSA-N 446.525 2.657 0 40 IFAB C[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(S(C)(=O)=O)cc1 10966434 UCSGXUFKPTVNQL-AWEZNQCLSA-N 441.505 2.941 0 40 IFAB Cc1cc(NC(=O)CSCC(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)no1 11641516 PVZYUKLCOUPHEQ-UHFFFAOYSA-N 446.312 2.821 0 40 IFAB COc1ccc(NC(=O)c2ccnc(S(=O)(=O)Cc3ccccc3F)n2)c(OC)c1 11914212 KWNJZIKLQVGTME-UHFFFAOYSA-N 431.445 2.859 0 40 IFAB CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)CC1 12160656 LKKTWPPIHMYLJO-OAHLLOKOSA-N 445.545 2.869 0 40 IFAB COC(=O)c1ccc(CNC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12774776 DJXTUXXYEZNJCJ-UHFFFAOYSA-N 425.510 2.830 0 40 IFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C(=O)NC(=O)NC(C)(C)C 12862729 WOJQRVGZYQNIOG-AWEZNQCLSA-N 442.516 2.683 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3)n2N)c1 13145572 QLAFQHDZSUYZQP-UHFFFAOYSA-N 447.586 2.861 0 40 IFAB O=C(Cc1noc2ccccc12)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 13164598 LCJOPODLTZOYHL-UHFFFAOYSA-N 426.432 2.897 0 40 IFAB O=C(CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@H]1CCCc2ccccc21 13234868 YLYQBCBKXCKGBO-SFTDATJTSA-N 434.496 2.657 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCC1 13557525 VSBNTDZVMZAYNZ-SPEDKVCISA-N 447.626 2.943 0 40 IFAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)cn2)cc1 13809117 SALHITWFJZKRKT-UHFFFAOYSA-N 436.487 2.797 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(OC)c3)CC2)cc1 14247293 BIJBYMZAYKETCB-GOSISDBHSA-N 445.585 2.981 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1C 14867714 MNNBORLSXCONNM-UHFFFAOYSA-N 434.333 2.970 0 40 IFAB COc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1 15430253 FYVKUTRAHUYEKP-UHFFFAOYSA-N 428.869 2.761 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O 16046083 NZFGKNPAGCSEEM-GOSISDBHSA-N 449.248 2.697 0 40 IFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OC(F)(F)O2 16104214 NYBXOJSCCXABOJ-UHFFFAOYSA-N 427.381 2.582 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c(O)c(OC)c1 16790338 MUYNSBQEBNLDMB-MRXNPFEDSA-N 439.420 2.774 0 40 IFAB CC(=O)O[C@H](NC(=O)N[C@H](OC(C)=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 17284028 QNIZOVDYAFMFEF-OLQVQODUSA-N 438.906 2.804 0 40 IFAB Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 18202099 HJTOEDZQRGMYPR-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(c3nc(C)cc(C)n3)C2)on1 19118765 CPQQYKGTNFFAGH-IBGZPJMESA-N 448.575 2.983 0 40 IFAB CCN(CC)CCCNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 19526368 AOCPGBLNRNGCOP-KOSHJBKYSA-N 429.561 2.640 0 40 IFAB COc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1 19824695 FAXJCNVNVLBQBR-UHFFFAOYSA-N 446.617 2.592 0 40 IFAB CCCOc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 19890263 CGZBZWWWIGQSMX-GOSISDBHSA-N 443.935 2.809 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 22226982 TXUSIDLAKXHWLV-UHFFFAOYSA-N 443.352 2.987 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229972 BUHPFVNWJBYDDJ-GOSISDBHSA-N 432.498 2.582 0 40 IFAB COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc23)N2CCOCC2)c1 23107138 UVTHQKZFXRFRJJ-HSZRJFAPSA-N 448.523 2.680 0 40 IFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc1ccc(N(C)C)cc1)C2=O 23673847 AFJLCNDEFFPNSN-HJUABHRKSA-N 444.532 2.514 0 40 IFAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCN(Cc2nc3ccccc3s2)CC1 23909349 FDGFZNJFZWXSDR-UHFFFAOYSA-N 441.582 2.767 0 40 IFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 24754902 WHXLNKMAIAOYFP-IAGOWNOFSA-N 437.562 2.914 0 40 IFAB O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 25368724 IBFZGECZARJJJB-UHFFFAOYSA-N 443.447 2.777 0 40 IFAB COCCCNC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32615996 ZZFYXYHSGUIKOL-CQSZACIVSA-N 448.570 2.594 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1OCC 35598080 SXTDNTHJJGYASK-UHFFFAOYSA-N 436.516 2.731 0 40 IFAB CCOc1ccc(NC(=O)NC(=O)CN2CCN(c3ccccc3)CC2)cc1OCC 36384970 MPQGWFNISQBRMR-UHFFFAOYSA-N 426.517 2.954 0 40 IFAB COC(=O)c1cnc(N[C@H](C)c2cc3ccccc3o2)c(S(=O)(=O)N2CCOCC2)c1 40153467 DWLPXXURLXFIRP-CQSZACIVSA-N 445.497 2.808 0 40 IFAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1 57428169 PVXARDKIBMEZBG-UHFFFAOYSA-N 439.493 2.581 0 40 IFAB CC(C)(C)NC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O 57503375 MLTCCNMVYJNUOH-UHFFFAOYSA-N 426.864 2.781 0 40 IFAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCC1 72394980 KWKBUERNTLKUIP-XZOQPEGZSA-N 435.568 2.865 0 40 IFAB CCCCN(C(=O)CN1CCC[C@@H]2CCC[C@H](C)[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O 106141846 WFTCTBMYTZPMNR-LNLFQRSKSA-N 433.597 2.563 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(N3CCCC3)c(C(=O)O)c2)cc1OC 217624243 APRQXJMBCCKUNF-UHFFFAOYSA-N 434.514 2.523 0 40 IFAB COc1ccc(-c2noc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)n2)cc1 222563508 NXOHWBAGTZOCLI-UHFFFAOYSA-N 442.497 2.605 0 40 IFAB COc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CCCC2 222619419 XHIOZHWFBDSKPK-UHFFFAOYSA-N 444.553 2.809 0 40 IFAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 223548335 YBFJJAPUAFTYRM-XMMPIXPASA-N 439.556 2.624 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1Cl 223587886 FVHOWDDWRWHGSM-UHFFFAOYSA-N 439.877 2.894 0 40 IFAB O=C(COc1cccc(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224340317 WDRJQRFWAAEYEY-UHFFFAOYSA-N 438.933 2.699 0 40 IFAB COC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1cccs1 225126976 RNWRDNPAGHLWTM-UHFFFAOYSA-N 437.280 2.721 0 40 IFAB C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225940083 RWAFIGHIHDNGKN-IRXDYDNUSA-N 441.605 2.677 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc3ccccc3c1)O2 260924538 IIXFHWCFZRPTKG-JOCHJYFZSA-N 440.521 2.870 0 40 IFAB O=C(c1ccco1)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306136173 PLNGMTNFHWAWMN-JOCHJYFZSA-N 439.493 2.543 0 40 IFAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)c1 408601769 HEPAKLGVFIDUMQ-UHFFFAOYSA-N 436.530 2.806 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666192 SKPRWCZKJSABPJ-WQFFQYHTSA-N 439.295 2.895 0 40 IFAB CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3CC)C1=O)OCO2 409248183 GPONBRXHHNUHSR-RQZCQDPDSA-N 437.452 2.908 0 40 IFAB COc1ccc([C@@H](CC(=O)O)NC(=O)CCc2nc(O)c3ccccc3n2)cc1OC 624353402 DDALSQAAJSXCMO-MRXNPFEDSA-N 425.441 2.617 0 40 IFAB O=C(c1ccc(O)nn1)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643571985 WRSVIJQUAOYBDV-UHFFFAOYSA-N 438.528 2.716 0 40 IFAB O=C(N[C@@H](C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1)c1ccccc1 1153785374 GCNHIAANZPGNNP-BWKNWUBXSA-N 429.476 2.504 0 40 IFAB CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 815618 XTGDGWQSXVGNRL-LJQANCHMSA-N 445.541 2.991 0 40 IFAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1334995 BOHXSMMWFNPYRR-QGZVFWFLSA-N 432.459 2.722 0 40 IFAB CC1(C)COCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 2723569 RBUFGHPPLWZKQJ-UHFFFAOYSA-N 434.499 2.807 0 40 IFAB O=C(CCn1cc(Cl)cn1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2804517 FEPRLTNBTJDEFB-UHFFFAOYSA-N 441.300 2.810 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N(C)c2ccccc2)cc1 3291271 FTFAGDLBJZTSFZ-DTQAZKPQSA-N 430.526 2.937 0 40 IFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 3430551 ZTESTGCKMDSHDZ-UHFFFAOYSA-N 442.493 2.540 0 40 IFAB O=C(Nc1ccccc1F)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1 4388938 PIHLSLLZDWGGBG-UHFFFAOYSA-N 427.459 2.786 0 40 IFAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)COc3ccccc3)C1)C2)c1ccccn1 8300332 OAIUPSMZBFPIEI-ZWKOTPCHSA-N 444.491 2.520 0 40 IFAB biogenic,in-vitro CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2C(=O)OC)cc1 8753697 AFQOQTTVTGURKI-CYBMUJFWSA-N 427.486 2.967 0 40 IFAB COC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1 8865064 KXSGKNSUMINEJE-UHFFFAOYSA-N 440.521 2.886 0 40 IFAB CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NC[C@@H]2CCCO2)s1 8912368 VOGKKYBABIGJLC-NSHDSACASA-N 436.964 2.624 0 40 IFAB COCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 9297211 CCXSCAZAITUPFZ-UHFFFAOYSA-N 429.908 2.504 0 40 IFAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc(Br)c1 9491523 RAGVJHROAZGSAG-UHFFFAOYSA-N 429.311 2.915 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)NCc1ccc(F)cc1 9518630 BBICTIGHYXBEMA-UHFFFAOYSA-N 436.415 2.825 0 40 IFAB CCCCn1c(N)c(N(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)c(=O)[nH]c1=O 9697682 LHQBDVDBWKDETN-UHFFFAOYSA-N 444.495 2.806 0 40 IFAB COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)Nc2ccncc2)c1C 9781967 CSKZTRZJXWRYDR-UHFFFAOYSA-N 445.522 2.969 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)c3cc(-c4cnn(C)c4)[nH]n3)CC1)O2 12087403 PJRYLDUUEAISJY-JOCHJYFZSA-N 435.484 2.705 0 40 IFAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 12140753 NCLZQVSVHIRMIW-KRWDZBQOSA-N 433.464 2.502 0 40 IFAB CC[C@@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 12516844 SJMLUKAFCKMRIZ-MJGOQNOKSA-N 442.025 2.585 0 40 IFAB Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC2CCCCC2)c1 12705180 VDSVEBDVCOXHOL-AWEZNQCLSA-N 443.573 2.925 0 40 IFAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC[S@](C)=O)C(=O)O)c(C)c3cc2c1C 12864778 VYOSUBZIMCLPMT-NMEJYPJZSA-N 447.509 2.735 0 40 IFAB biogenic CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(=O)c1sc3ccccc3c1Cl)C2=O 12909756 VHRVEDYDWAYDPK-UHFFFAOYSA-N 448.932 2.816 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2=O)c1 13021429 NBFYKVSOBNLMSU-KRWDZBQOSA-N 441.915 2.686 0 40 IFAB CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 13120445 WPQZZJRZCVTHQK-CQSZACIVSA-N 442.632 2.790 0 40 IFAB CC1(C)Cc2cccc(OS(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2O1 16094107 DHGJUXAFCRJEDF-UHFFFAOYSA-N 437.539 2.952 0 40 IFAB C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4ncnn4c3=O)ccc2O1 16741757 WAFVIPDMKBZXBT-LPKQHDGYSA-N 427.489 2.875 0 40 IFAB O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1 17208524 RCNFIYOGLNVEOL-UHFFFAOYSA-N 427.452 2.620 0 40 IFAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC(c2n[nH]cc2C(=O)N2CCOCC2)CC1 19345263 VPCYTWUEIUCRCZ-UHFFFAOYSA-N 425.464 2.522 0 40 IFAB Cc1nnc2n1C[C@@H](c1cccc(C(=O)NCCS(=O)(=O)c3ccc(F)cc3)c1)CC2 19698124 FDGYJSLIUSBCBA-SFHVURJKSA-N 442.516 2.659 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)[C@H](C)c3ccccc3)CC1)C2=O 19700681 RGJBLHREFHACBI-LJQANCHMSA-N 440.588 2.825 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)CCc1c[nH]c3ccccc13)C2 19701419 LKCAAFFEDVLGLL-NRFANRHFSA-N 442.523 2.671 0 40 IFAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1OC 20459147 QPTISOQQQUPLJO-HNNXBMFYSA-N 448.541 2.988 0 40 IFAB Cc1c(Cl)cccc1-n1ncc2c1N=C(O)C[C@@]21C(=O)N(CC(N)=O)c2ccccc21 20720639 KDWOILACKSEBHE-QFIPXVFZSA-N 435.871 2.944 0 40 IFAB CC(=O)NCCc1ccc(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)s1 21761079 KBWHGHBWEPDGPR-UHFFFAOYSA-N 445.493 2.587 0 40 IFAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 22536993 PPDOQWZQABQHAH-IBGZPJMESA-N 446.569 2.889 0 40 IFAB C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccc2c(c1)CCCC2 23057661 RMJXZOQWYHHCNZ-RTWAWAEBSA-N 440.632 2.761 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2=O 23674289 WWRYNDOABSLNIE-UHFFFAOYSA-N 446.935 2.724 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1 24834455 DTFGMCSKQBVACR-INIZCTEOSA-N 445.541 2.717 0 40 IFAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C)c2ccccc2)c1 26980111 YPMIFEKPMJDDCO-ZDUSSCGKSA-N 441.347 2.865 0 40 IFAB CCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 32579155 HZFGVCWLLPEPDE-UHFFFAOYSA-N 434.587 2.830 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@@H]1c1ccccc1 32745376 HNWZSDWNLIFDRG-LJQANCHMSA-N 438.871 2.921 0 40 IFAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 32882118 CYUBHJJQIIDQGL-IBGZPJMESA-N 449.960 2.580 0 40 IFAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 32904673 GPLOALGXHHJHFP-UHFFFAOYSA-N 430.486 2.511 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 34868569 PBEJLCJBIWZLEN-UHFFFAOYSA-N 437.540 2.736 0 40 IFAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)C1 35586473 SAFNFZZGUOGAOJ-SSDOTTSWSA-N 425.319 2.715 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)C1 36425595 SEEIOXKGHDVQFJ-WCIQWLHISA-N 432.584 2.514 0 40 IFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(Cl)cc1Cl 39569365 MQCMEISPZKFWFA-SNVBAGLBSA-N 441.292 2.847 0 40 IFAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)NCc1ccc(F)cc1 57473287 SCSQJDWKOQUJDM-UHFFFAOYSA-N 437.496 2.923 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCN(c2ccccc2)CC1 58152242 GEXNEWRTMUOUAI-UHFFFAOYSA-N 445.361 2.634 0 40 IFAB CCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 59444544 JDFRRHKXEZKHQI-UHFFFAOYSA-N 425.348 2.819 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1F 96099554 ZRCBWGHSLGHPHB-UHFFFAOYSA-N 431.507 2.586 0 40 IFAB CSCC[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nnc2ccccn12 96118074 KXBRBKJSPLPVAS-HNNXBMFYSA-N 440.554 2.625 0 40 IFAB CCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)c4cccc(F)c4)nn3c2O)C1 100235000 CVGWWZWTLQTPKG-LJQANCHMSA-N 437.475 2.846 0 40 IFAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 102798704 XVFQESNBXYQSTJ-PMAMDCHESA-N 428.488 2.934 0 40 IFAB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Br)cc1 113893861 UQXGKBVLQUBOJC-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1 222569813 BYDLAQJUYJMLPJ-MRXNPFEDSA-N 448.541 2.776 0 40 IFAB O=C(NCC1CCN(C2CCOCC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 225565791 RFQHIMZSIPJQSK-UHFFFAOYSA-N 429.439 2.531 0 40 IFAB Cc1ccc(=O)n(CC(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ccccc43)CC2)n1 257232082 GJINPPIOQLPXGC-WKILWMFISA-N 438.553 2.956 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)c(Cl)c1 408527311 DFFKUASVAYVKMO-UHFFFAOYSA-N 440.905 2.832 0 40 IFAB CCS(=O)(=O)N1CCC(CNC(=O)N[C@@H](C)c2ccccc2Br)CC1 680379169 DYKVCUGTPPAULP-ZDUSSCGKSA-N 432.384 2.871 0 40 IFAB Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCOCC3)c(=O)[nH]c2cc1C 1362227 VGPGWTCUUSWKNK-QHCPKHFHSA-N 444.539 2.796 0 40 IFAB Cc1cc(C)nc(N2CCN(CCCCN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)CC2)n1 1814207 HRJSJJLFINLRSD-DVECYGJZSA-N 427.593 2.807 0 40 IFAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O 8223580 CKHLZLLSBKAGLD-UHFFFAOYSA-N 427.549 2.755 0 40 IFAB CNC(=O)c1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 8726394 QVUCKGGEXGOYRT-UHFFFAOYSA-N 434.496 2.640 0 40 IFAB CCOc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1 9016257 NXXXUNBQTXEUQN-UHFFFAOYSA-N 431.496 2.778 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(F)c1 9380939 LZFLVLKQKGDXEC-SFHVURJKSA-N 425.507 2.698 0 40 IFAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)COC(C)(C)C3 9409785 HFNUJSXBBOGKFM-UHFFFAOYSA-N 428.510 2.687 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1c(O)nc(S)n(CCc3ccccc3)c1=O)NCC2 9411235 DSFZVMOXKJWCJU-HXUWFJFHSA-N 439.537 2.733 0 40 IFAB biogenic CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](C(C)=O)N2c4ccc(C)cc4C=C[C@@H]32)cc1 9422536 QFOXYBRIWZFRPC-GSPCLOLRSA-N 430.460 2.899 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1NC(C)=O 9963606 REZPKAPMTVHKIZ-UHFFFAOYSA-N 443.481 2.977 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NC[C@H]2CCCO2)c1 9981087 GANASJZNRCDHDH-MRXNPFEDSA-N 440.635 2.783 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)cc1 10814029 CUSZJBVLCFOZOO-UHFFFAOYSA-N 449.617 2.715 0 40 IFAB CC(=O)N1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)CC1 12528223 LYMXQRDWWGYUPF-UHFFFAOYSA-N 435.328 2.609 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 12548547 VEYMFAMIZHGETA-KRWDZBQOSA-N 430.873 2.873 0 40 IFAB O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 12605372 DLBTVTHKIMUIHJ-UHFFFAOYSA-N 446.428 2.976 0 40 IFAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 12639045 CTXRADKPLNXPDA-UHFFFAOYSA-N 430.888 2.867 0 40 IFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C 12696498 LWZJUWCHDLHKRH-RXVVDRJESA-N 448.585 2.919 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)ccc1Cl 12765383 ASYNYUHIRLLDEP-MRXNPFEDSA-N 430.357 2.934 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 12784786 XURQMHMRJWVBJL-UHFFFAOYSA-N 449.504 2.977 0 40 IFAB NC(=O)c1ccc(NC(=O)CSCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 12795350 WOBSAHRCVPWOLR-UHFFFAOYSA-N 428.539 2.606 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 13117507 CYPHQWAAJLDWFZ-CQSZACIVSA-N 434.568 2.846 0 40 IFAB CCn1nnc2cc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@H]3CCCO3)ccc21 14572258 URZHEQKAPFIMGG-MRXNPFEDSA-N 432.484 2.509 0 40 IFAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859645 JDDGDRPLPGGULX-HXUWFJFHSA-N 435.480 2.916 0 40 IFAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 16021193 CAJIAIMMSHCSFM-KGYLXKDPSA-N 425.435 2.541 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 16350046 HDWVNGUPPJITHL-UHFFFAOYSA-N 445.585 2.590 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc2c(c1)OCO2 16490363 CELFKVMJVTWTLZ-UHFFFAOYSA-N 440.477 2.911 0 40 IFAB O=C(NCc1nnc2ccccn12)C1CCN(C(=O)c2ccc(Br)cc2)CC1 18124250 FFYCGHSHQDOHAQ-UHFFFAOYSA-N 442.317 2.660 0 40 IFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]23)cc1OC 18130333 MELUXYNVRWFKJU-WBVHZDCISA-N 431.242 2.759 0 40 IFAB Cc1ccc(-n2ncc3c2N(CC(=O)NCc2ccccc2F)C(=O)N2CCN=C32)cc1 19213440 VDTSUNRMGMKRME-UHFFFAOYSA-N 432.459 2.638 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19404933 QNNNPJSRBDCYBR-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C(C)(C)C)CC1 19451677 LUGNPXYUROJTSI-UHFFFAOYSA-N 431.562 2.541 0 40 IFAB CCCSc1ncc(CN2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)cn1 19525218 BGDPTCYJEDKRJX-UHFFFAOYSA-N 441.557 2.764 0 40 IFAB CCOc1ncc(C2(O)CCN(Cc3cnc(N4CCCCC4)nc3)CC2)c(OCC)n1 19531763 LIXVNIRLMZUZGX-UHFFFAOYSA-N 442.564 2.538 0 40 IFAB CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)nc2c1CN(C)CC2 19711416 MBWOTNAKZZKNDX-HNNXBMFYSA-N 427.524 2.819 0 40 IFAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1Br 19819738 FJCDWMKCYDOLAZ-KRWDZBQOSA-N 433.302 2.981 0 40 IFAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 20017737 FBLMJLGEKFIAMR-MRXNPFEDSA-N 432.542 2.982 0 40 IFAB O=C(NCCSCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 20061973 GUOQHOWDJFTXNC-UHFFFAOYSA-N 444.962 2.617 0 40 IFAB CCOC(=O)N1CCN([C@H](c2cccc(OC)c2)c2c(O)cc(C)n(CC)c2=O)CC1 22696892 KWPAGCQBVLJITQ-OAQYLSRUSA-N 429.517 2.754 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(N[C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 23627200 LUMLKGKXZRLLBP-JOCHJYFZSA-N 427.570 2.758 0 40 IFAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(Cc2cccc3ccccc23)CC1 23873310 GNJGVFUPEUNCSM-UHFFFAOYSA-N 437.565 2.853 0 40 IFAB COc1ncccc1CNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 25086353 DTRAJXOQFDEZFR-UHFFFAOYSA-N 431.539 2.603 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1OC 25461234 VNYKHALUBMTFPA-GOSISDBHSA-N 429.904 2.811 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCC1 27336246 PAHPPURGXCMPJB-HNNXBMFYSA-N 436.438 2.849 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 32909413 NMFOBIYIEOUCDB-UHFFFAOYSA-N 428.441 2.867 0 40 IFAB COc1cc(CO)cc(I)c1OCC(=O)Nc1ccc(F)cc1 34772912 LSADUZFZRFPWQY-UHFFFAOYSA-N 431.201 2.949 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 35402654 IJSRZRODMUWUGZ-UHFFFAOYSA-N 428.507 2.810 0 40 IFAB O=C(Nc1nccs1)c1ccc(OCc2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 36357715 KAGYLWCBEWTONF-UHFFFAOYSA-N 449.510 2.588 0 40 IFAB O=C(CNC(=O)c1c(-n2cccc2)sc2c1CCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1 40058036 NVEHXJNUXVTCBD-UHFFFAOYSA-N 435.509 2.956 0 40 IFAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N3CCOCC3)nc2)cs1 40132284 IUJZZYFDEIHWRZ-UHFFFAOYSA-N 427.486 2.710 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1C 44911759 CPVVVMCIJHMKAE-LJQANCHMSA-N 432.498 2.728 0 40 IFAB COc1cc(C(=O)Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)cc(OC)c1OC 48277839 IKMYXZPWGCDWGD-UHFFFAOYSA-N 426.473 2.673 0 40 IFAB COc1ccc(C(=O)N[C@@H]2CCN(C3CCCCCC3)C2)cc1S(=O)(=O)NC1CC1 58244237 GVEXJPOPASXNNS-GOSISDBHSA-N 435.590 2.663 0 40 IFAB Cc1cc(C)n([C@@H](C)C(=O)NCCN(CC(F)(F)F)C(=O)[C@H](C)n2nc(C)cc2C)n1 72292814 GZOOHKPKXPTBBY-IRXDYDNUSA-N 442.486 2.643 0 40 IFAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CN(C(=O)c4nc[nH]n4)CCO3)c2)cc1 72389165 UFRYQTLRXFRURH-VWLOTQADSA-N 447.539 2.759 0 40 IFAB O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc(I)c(F)c1 78445332 YXFIDDDUMOLWLQ-UHFFFAOYSA-N 438.240 2.745 0 40 IFAB COC(=O)c1ccoc1CC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 95451921 PEVOERVYXVQOGX-UHFFFAOYSA-N 429.448 2.830 0 40 IFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95938932 FLJARLFRPUHVQQ-HZPDHXFCSA-N 439.578 2.716 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)Cn2nc(C)nc2C)CC1 100688334 XDUSQHJEMGURKX-IYBDPMFKSA-N 440.573 2.954 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 220291485 LIHUZIHSTXPPGL-OAHLLOKOSA-N 428.514 2.770 0 40 IFAB COc1ccc(CCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 222676664 XBRBDHKDFXNPLP-UHFFFAOYSA-N 426.485 2.879 0 40 IFAB C[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222937181 COXVBPGEYSYMIE-INIZCTEOSA-N 444.553 2.980 0 40 IFAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224777905 BBLGOXMLCCHDPS-LJQANCHMSA-N 432.542 2.733 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(OC)cc1 225470573 SLEDXAUULAGOML-CQSZACIVSA-N 435.318 3.000 0 40 IFAB CN(c1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1)S(C)(=O)=O 225652109 YEIAACIQFMKCAV-UHFFFAOYSA-N 446.598 2.691 0 40 IFAB CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)s1 225865981 QFTKLELYMQWAKY-UHFFFAOYSA-N 430.552 2.580 0 40 IFAB COCC(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 257218504 DDJHEVLLCHFCKH-HXUWFJFHSA-N 427.549 2.647 0 40 IFAB CCCn1ccc(C(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)n1 257281769 OQXQAMBWSHZLEP-CQOQZXRMSA-N 426.561 2.743 0 40 IFAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1C 257305477 SQFHZEHZYAWJGF-LJQANCHMSA-N 441.513 2.694 0 40 IFAB Nc1nc(CCC(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cs1 257311680 UKPFGOAURCTNJM-LJQANCHMSA-N 445.520 2.742 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3)c2)C1 257339273 ZAZXEIRXQJORKQ-SFHVURJKSA-N 426.546 2.680 0 40 IFAB Cc1nc(CN2CC[C@@]3(CN(C(=O)N(C)C)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306132031 KVYASFZTGNRYCH-UWJYYQICSA-N 430.578 2.729 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)c(OC)c1 408671390 XZMSJMSLVVUJNM-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 409390111 JLCBVLKMLLGSRT-SNVBAGLBSA-N 431.297 2.705 0 40 IFAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575608189 WXWFQHGWBRDMEI-MRXNPFEDSA-N 436.299 2.705 0 40 IFAB Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccsc2)n1 575612625 BLRWDBYDMZAIQG-QGZVFWFLSA-N 426.498 2.677 0 40 IFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 575621716 RQMUBFYHAAUVMO-SFHVURJKSA-N 441.509 2.667 0 40 IFAB CC(=O)N1CC[C@H]2CC[C@@H](CN(Cc3ccncc3)Cc3ccccc31)N2S(C)(=O)=O 2037949602 ABSOROOFGFWILP-YADHBBJMSA-N 442.585 2.633 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 2056223307 FKFRABMVUJFCLU-QHCPKHFHSA-N 443.569 2.920 0 40 IFAB CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc(Br)c1OC 1457604 JSDXWBVLEZUESY-UHFFFAOYSA-N 440.290 2.999 0 40 IFAB O=C1N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 2492463 LLOBSIAHOOBTDM-MRXNPFEDSA-N 447.822 2.629 0 40 IFAB O=C1N(c2ccccc2)C(O)=N[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 2492469 IHZVONMKXZMFKW-HNNXBMFYSA-N 433.795 2.838 0 40 IFAB Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1 3470018 MGGXMSXRTGWJTA-UHFFFAOYSA-N 427.413 2.646 0 40 IFAB CC[C@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 4115442 IUCHXVAMUWGYHD-HYBUGGRVSA-N 429.561 2.652 0 40 IFAB O[C@H](N1CN([C@H](O)C(Cl)(Cl)Cl)CSC1=S)C(Cl)(Cl)Cl 4428883 QIUFQDXNQKIFIW-DMTCNVIQSA-N 429.005 2.914 0 40 IFAB S=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@@H](n3cc(CC4CCCCC4)nn3)CO[C@H]12 5410255 CBQVJGFATGHJLW-UWHLTILDSA-N 433.622 2.905 0 40 IFAB biogenic,in-vitro COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCc2ccccc21 6244918 UYXUSGKYFKDBKL-JOCHJYFZSA-N 430.512 2.930 0 40 IFAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 8450420 KQCJXOWIFYILBM-CXDKZYLESA-N 438.094 2.848 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)NC(=O)NC1CCCCC1 8883520 BUTMDDQFNMXNMD-UHFFFAOYSA-N 437.496 2.785 0 40 IFAB O=C1N[C@H](c2ccc(OC(F)F)cc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 9086848 ODDLHYHPRDAOEO-OGHNNQOOSA-N 431.317 2.787 0 40 IFAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C[C@H]1CCCO1 9416175 WYEFMORUOMHBCL-CQSZACIVSA-N 433.925 2.637 0 40 IFAB CC(C)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 9666758 REBHIRRCRVXRFA-NZQKXSOJSA-N 441.484 2.721 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1Cl 9675017 FELOWRWIMVWPIA-MOPGFXCFSA-N 441.875 2.897 0 40 IFAB O=C(CSc1nnc(-c2ccco2)o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9704161 RAPSKKQZXMUPOC-CQSZACIVSA-N 425.532 2.770 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 9957437 SPIZKXYMRYYRMP-AWEZNQCLSA-N 443.481 2.846 0 40 IFAB COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nnc(C)s2)cc1=O 10254783 LDUJCQAUNWJQQX-UHFFFAOYSA-N 446.510 2.677 0 40 IFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2cc(OC)ccc2OC)n2nnnc2N3)c1 10296947 LUBYBAVZDJQUBH-LJQANCHMSA-N 433.428 2.556 0 40 IFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cccnc1O 11325413 FUILIWRARJQNPO-UHFFFAOYSA-N 427.438 2.612 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(Cc3cccnc3)C2)on1 12089344 OROSJKWRKLIRDG-FQEVSTJZSA-N 433.560 2.966 0 40 IFAB COc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 12758628 ZJWAKOHDIODKGV-KRWDZBQOSA-N 444.528 2.833 0 40 IFAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(I)cc1 12913320 UYOUGSQWOCBRBR-UHFFFAOYSA-N 426.254 2.939 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 13030252 XUNCFJHGKFAVOG-UHFFFAOYSA-N 428.510 2.622 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 13580772 PTVLSYDDDUDXOI-OAHLLOKOSA-N 449.504 2.832 0 40 IFAB COc1ccc(-c2ccc(N3CCN(C(=O)COc4ccc5c(c4)OCO5)CC3)nn2)cc1 13664368 NXPFPHOBMHYNRT-UHFFFAOYSA-N 448.479 2.609 0 40 IFAB Cn1c(N2CCN(C(=O)COc3ccccc3)CC2)nc2sc3c(c2c1=O)CCCC3 13729122 DLTXCTREXFZBEC-UHFFFAOYSA-N 438.553 2.601 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 14184570 OJHBUMBRUZEMID-QGZVFWFLSA-N 429.904 2.770 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 15020206 LXXOJSHUTNWMJY-UHFFFAOYSA-N 437.521 2.827 0 40 IFAB COc1ccc(-c2nn3c(SCC(=O)Nc4ccc(F)cc4)nnc3nc2O)cc1 15882035 WWAZELCOPXBACR-UHFFFAOYSA-N 426.433 2.770 0 40 IFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccnc2O)CC1 17842912 TYYCBLFELZODFY-UHFFFAOYSA-N 431.558 2.848 0 40 IFAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)cc1 19209603 SZWTXHMMRZSUTI-QHCPKHFHSA-N 443.551 2.938 0 40 IFAB O=C1CC[C@H](C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)N1 19293972 JQCKSECRWCMHFF-LJQANCHMSA-N 432.459 2.585 0 40 IFAB COc1cccc(CC(=O)N2CCC[C@H]2Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)c1 19564352 QAKVFFYYKSIVTO-IBGZPJMESA-N 447.491 2.881 0 40 IFAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 19697901 MPCGFLVFCWANQA-KRWDZBQOSA-N 439.537 2.952 0 40 IFAB CNC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 19703571 BNUNOHZGSBCYNB-QHCPKHFHSA-N 437.475 2.902 0 40 IFAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2Cc1ccc(F)cc1 19706589 MBNUMWJUBHTYQE-SFHVURJKSA-N 447.580 2.863 0 40 IFAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1CN(C)CC2 19710246 VBZMGBWLACKYTB-IBGZPJMESA-N 445.589 2.739 0 40 IFAB O=c1c2c3c(sc2n(CCN2CCOCC2)c(=O)n1-c1ccc(F)cc1)CCCCC3 20533463 FDPFHTDRIGYDGB-UHFFFAOYSA-N 443.544 2.954 0 40 IFAB COc1cc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc(OC)c1 23126607 HFRAPTQLXNIQOL-UHFFFAOYSA-N 443.529 2.972 0 40 IFAB CN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)Nc3ccc(F)cc3F)n2)CC1 23142238 SSCMIZJCDJOUSY-UHFFFAOYSA-N 445.495 2.916 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(CCOc3ccc(OC)cc3)CC2)c1C 23641143 OQHIISNCAXSKDC-UHFFFAOYSA-N 429.517 2.654 0 40 IFAB CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccco1 23763508 PTJUNBQCRPSWAQ-ZIAGYGMSSA-N 449.533 2.598 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4cc3O)CC2)cc1 26940096 CLDCNXPLIBMIIS-UHFFFAOYSA-N 426.494 2.701 0 40 IFAB Cc1cc(N2CCN(c3nc4c(Cl)c(C)nn4c4ccccc34)CC2)n2ncnc2n1 30587593 MFPMDZFYBPQLMB-UHFFFAOYSA-N 433.907 2.917 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccc(C)o1 32754864 BOFZQPQMVMULMU-CXAGYDPISA-N 431.272 2.886 0 40 IFAB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2cc(C)ccc2C)CC1 35289872 NJZMDBULHNTRRI-QHCPKHFHSA-N 436.560 2.857 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 39655797 RIEDCMYBZVJIMO-FQEVSTJZSA-N 440.452 2.506 0 40 IFAB CC(C)(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 40128507 IXWYCWXNFQKBTF-UHFFFAOYSA-N 425.348 2.733 0 40 IFAB COc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4cc(F)ccc4F)nc23)c1 49008424 WYLVZPBOBRUYLL-UHFFFAOYSA-N 427.367 2.609 0 40 IFAB C[C@@H]1CCc2c(sc3nc(Cn4c(C(F)(F)F)ccc(C(N)=O)c4=O)nc(N)c23)C1 59124467 VVEZQUADLIALRO-MRVPVSSYSA-N 437.447 2.726 0 40 IFAB Cc1ccc(=O)n(CC(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)n1 72393466 VVKYVTVZXQDDEL-UHFFFAOYSA-N 426.536 2.783 0 40 IFAB Cc1ccc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3O[C@]3(CCCN(C)CC3)C2)cn1 72394786 SWXCEFJVZRPIQG-CLOONOSVSA-N 436.556 2.784 0 40 IFAB O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccccc3)CCOCC1)CC2)c1cnccn1 77196269 UMFSYSSMDZFXCI-UHFFFAOYSA-N 449.536 2.819 0 40 IFAB O=C(O)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 95956904 HRMRAJMSOBUJIU-KRWDZBQOSA-N 441.459 2.521 0 40 IFAB COC(=O)c1cc(Br)c(CN2CCC(NC(=O)c3ccccc3)CC2)n1C 97105611 RCPXSZKDZXDDNJ-UHFFFAOYSA-N 434.334 2.969 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 224044431 OHZACQQGJXNTKH-NSHDSACASA-N 430.577 2.840 0 40 IFAB COc1cccc(N2C[C@@H](CNC(=O)c3ccnc(OCC4CCOCC4)c3)OC2=O)c1 244950821 FNJIUPAOIMROIF-HXUWFJFHSA-N 441.484 2.651 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(O)c1CCC(=O)NC1CCCC1 257236455 HCHOCRGAHYCDSK-LJQANCHMSA-N 425.533 2.808 0 40 IFAB CN(C[C@@]1(O)CCCN(c2nccn3cccc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257281003 ONGVIOVONCSHGS-QHCPKHFHSA-N 428.533 2.549 0 40 IFAB COCCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@H](C)C2)n1 260733027 DPMBOOFDQAHJMF-AWEZNQCLSA-N 433.607 2.977 0 40 IFAB O=S1(=O)CCN(S(=O)(=O)c2ccccc2Br)CC[C@@H]1c1ccccc1 390828673 BOZXYHDTCGRQFJ-MRXNPFEDSA-N 444.372 3.000 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)c(C)c2)cc1 408674705 GCMLCPJCKHBHSC-LJQANCHMSA-N 448.541 2.869 0 40 IFAB C[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1nc(-c2cccnc2)ccc1=O 585219768 SWCTVQWEEUKSNC-ZGBFETHSSA-N 429.524 2.724 0 40 IFAB O=C(N[C@H](C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1)c1ccccc1 1153785377 GCNHIAANZPGNNP-OFVILXPXSA-N 429.476 2.504 0 40 IFAB O=C(NCC1CCOCC1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595933 UBCMKLUGGKFTKW-GIWBLDEGSA-N 432.536 2.777 0 40 IFAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)Cc5cccc(C(F)(F)F)c5)C[C@@H]4C3)nn12 1888900838 OZERFYRZCTUWIL-HOTGVXAUSA-N 430.434 2.589 0 40 IFAB COC(=O)c1cc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)oc1C 2637871 BYQZTUCVKZAUMT-UHFFFAOYSA-N 437.470 2.525 0 40 IFAB CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1ccc(C)cc1 4571498 YDFBUWZDJQSEFH-WZONZLPQSA-N 428.533 2.544 0 40 IFAB CCN(CC)CCOC(=O)C(O)(c1cccc(OC)c1OC)c1cccc(OC)c1OC 4683785 ZRBQQRRDEQHCKC-UHFFFAOYSA-N 447.528 2.842 0 40 IFAB Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2c1C 8617372 CVIRVQCQDPXKKM-FQEVSTJZSA-N 448.527 2.954 0 40 IFAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 8666138 DHGZULLJAAUTSF-QGZVFWFLSA-N 430.526 2.849 0 40 IFAB CCOc1cc2c(cc1OCC)CN(C(=O)CCN1C(=O)NC3(CCCC3)C1=O)CC2 8723594 XGAZEOSPYCQNBC-UHFFFAOYSA-N 429.517 2.623 0 40 IFAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 8868086 RRWDZHOFGQBRLB-UHFFFAOYSA-N 429.907 2.513 0 40 IFAB O=C(CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1)NC[C@@H]1CCCO1 9600142 OYZVXANEEUJUFH-ZDUSSCGKSA-N 442.950 2.596 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2nc3ccccc3o2)CC1 9782631 LAKINQLJPIYXII-AWEZNQCLSA-N 438.509 2.661 0 40 IFAB CCOCCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 9963998 QULQZPPEGHHCHV-UHFFFAOYSA-N 432.546 2.856 0 40 IFAB Cc1nc2cc(C3CCN(C(=O)c4sc5nc[nH]c(=O)c5c4C)CC3)nn2c(O)c1C 12134055 GIDYVDDKKZLSNC-UHFFFAOYSA-N 438.513 2.678 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 12443573 FAIGGUHFPXXBBT-UHFFFAOYSA-N 428.539 2.919 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)c(F)c1 12661765 IWVFNFUVXBTIBC-VBKZILBWSA-N 432.379 2.781 0 40 IFAB biogenic CCOc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 13669519 WMUVPSKOWVNWRF-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB COc1ccc(-c2cc3ccc(OCC(=O)N4CCN(C)CC4)cc3oc2=O)cc1OC 13693238 AKMDDGDOJQAPCJ-UHFFFAOYSA-N 438.480 2.630 0 40 IFAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1S(=O)(=O)N1CCCCCC1 14830740 QSMGFQSKFCFREA-UHFFFAOYSA-N 431.514 2.611 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C1CCN(C(=O)C2CC2)CC1 15315434 STHJXQQGQJZQNU-UHFFFAOYSA-N 433.574 2.838 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)c1 15441482 MXYHLBONNITPLJ-UHFFFAOYSA-N 437.433 2.735 0 40 IFAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15526236 DVUZWRPTVXFBPT-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB C[C@@H](C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 16517768 SCOFZRCHUIVTEL-IBGZPJMESA-N 437.565 2.851 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19527738 SBBGZXXFAIXZIY-QGZVFWFLSA-N 436.537 2.662 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@H]1c1cc(CCOc2ccc(C(F)(F)F)cc2)[nH]n1 19703617 YNBMSMIDELTIOU-KRWDZBQOSA-N 432.468 2.993 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 19741286 OWWMFMGEVLDKSX-GOSISDBHSA-N 446.511 2.976 0 40 IFAB C[C@@H](NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)c1nc2ccccc2[nH]1 19750611 CVWSHAXOJDJQAE-CQSZACIVSA-N 433.443 2.993 0 40 IFAB Cc1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)nn1-c1ccc(Cl)cc1 21936269 YYQKLZKATCWMED-UHFFFAOYSA-N 425.920 2.991 0 40 IFAB CC1(C)C[C@@H](NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc2O1 22372544 KJSSNBJANCNVBL-QGZVFWFLSA-N 446.525 2.642 0 40 IFAB CCCOc1ccc(OCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 23011047 VDEPAGOJRVKSRF-UHFFFAOYSA-N 427.501 2.764 0 40 IFAB Cc1sc2nc(CN3CCN(C(=O)c4cn5c(C)cccc5n4)CC3)[nH]c(=O)c2c1C 23908254 SKKDVIWGAJLEKZ-UHFFFAOYSA-N 436.541 2.516 0 40 IFAB CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)cc2C1=O 24782335 JNWCYLWGXFADKG-UHFFFAOYSA-N 441.749 2.775 0 40 IFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(Cc2ccccc2)CC1 25354815 AOFGHHPMRLJQTO-UHFFFAOYSA-N 438.509 2.902 0 40 IFAB C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 27292507 NBHQOGGYFUGVFE-CYBMUJFWSA-N 431.851 2.990 0 40 IFAB CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(CN3C(=O)CNC3=O)c1)CC2 29711976 SVVZJJSAKAQXKJ-UHFFFAOYSA-N 437.496 2.734 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 32837002 ZAKAORZWYKONEZ-UHFFFAOYSA-N 447.417 2.676 0 40 IFAB CC(C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 40020169 KJFIZEVTONFNPT-HXUWFJFHSA-N 439.578 2.707 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1)Nc1ccc(F)cc1 57364758 JOXCKAYTUWGXLN-JOCHJYFZSA-N 441.503 2.780 0 40 IFAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 70894507 RTVCTBQMWJJQFM-UHFFFAOYSA-N 434.418 2.708 0 40 IFAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)c1cccnc1 72321424 WLOKUUAJEISFKP-FYYLOGMGSA-N 435.455 2.934 0 40 IFAB biogenic,in-vitro Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCCN2CCc1ccccc1 72373778 HSQYFHSHSSSXDC-FQEVSTJZSA-N 429.590 2.724 0 40 IFAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 72396218 HMWIAGIYQAWKHY-HXUWFJFHSA-N 444.601 2.733 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3nc4nc(C)cc(C)n4n3)C1)O2 72396516 ZCONQPPOJYBVPW-QRWLVFNGSA-N 435.484 2.636 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)CC1 95392685 HWISBKMLNJAELT-UHFFFAOYSA-N 425.913 2.596 0 40 IFAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124243 XOESIRSHFBXTFU-UHFFFAOYSA-N 439.523 2.928 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)C[C@@H]5C=CCC5)CC4)nn3c(O)c2C1 100243091 XPRRCEIBPFUCIN-MRXNPFEDSA-N 437.544 2.792 0 40 IFAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 102091582 IKBUZJDGSJVNQY-KKFZBWNWSA-N 434.414 2.991 0 40 IFAB CCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 102467253 GMHKUHMVYHCCRE-WOJGMQOQSA-N 425.897 2.702 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O)N1CCCC1 106765016 FTSZMCOADUCKSV-LCYFTJDESA-N 442.278 2.950 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222458500 OPVBHRYPKRENGS-IBGZPJMESA-N 445.585 2.541 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccccc1C)S(C)(=O)=O 223671039 ALYMKUJQPVVSRL-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCN1CCN(C(=O)c2ccc(CN(CC)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 224457367 BWDRQZLFDCXTEG-UHFFFAOYSA-N 429.586 2.984 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224642853 JVNXPYYRRWWWHT-IBGZPJMESA-N 445.585 2.705 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224899233 PZDIPHSIBHYCGJ-INIZCTEOSA-N 442.541 2.660 0 40 IFAB CC(=O)N[C@@]12CCN(S(=O)(=O)Cc3cccc(F)c3)C[C@@H]1[C@@H](c1ccccc1)N(C)C2 257229029 FWJQEIGREFVVRC-DNVJHFABSA-N 445.560 2.539 0 40 IFAB CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 306133321 MIJADIWKIAQMDL-ZJSXRUAMSA-N 442.535 2.957 0 40 IFAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408665313 RKHLMXQRLNACDD-BIEQGAHLSA-N 426.513 2.713 0 40 IFAB CC(=O)NC[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)CCO1 524002203 SFJSOCWVDADQEU-QFIPXVFZSA-N 432.524 2.884 0 40 IFAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccc(C)cc3)cc2)CC1 2268820 SKLXLDQJFUIWAU-UHFFFAOYSA-N 426.542 2.556 0 40 IFAB COC(=O)c1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1 6198995 OYBIALLSVWUNMG-UHFFFAOYSA-N 447.538 2.663 0 40 IFAB COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)Nc1ccc(C)cc1C 8824792 HCLAGGQDOKCVHB-UHFFFAOYSA-N 444.509 2.944 0 40 IFAB CC(=O)N1N=C(c2ccc(N(C)C)cc2)C[C@H]1N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 8863619 NDVWHSOKUWWYHL-GOTSBHOMSA-N 433.512 2.802 0 40 IFAB COc1ccc([C@@H](CC(=O)O)NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1OC 8877846 MEPLPZLIELFINS-QGZVFWFLSA-N 441.436 2.699 0 40 IFAB biogenic CC(C)C[C@@H](NC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1)C(=O)O 9128930 UGZAQSMSGBEDBY-UXHICEINSA-N 435.480 2.809 0 40 IFAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 9292899 GSTMMDRRROCVOU-UHFFFAOYSA-N 443.551 2.982 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1NCc1ccco1 9337188 CIUBPNYGZQIRGE-OAQYLSRUSA-N 436.464 2.949 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccccc1Cl 9369859 GHOVRLJTAMPXNW-LYPXWFNGSA-N 439.924 2.847 0 40 IFAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cccc(-n2cnnn2)c1 9469340 JLYSTUSYDFAQBA-UHFFFAOYSA-N 431.456 2.775 0 40 IFAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)c2C)cc1 9477968 LSRKSQCVYPTLQY-KRWDZBQOSA-N 427.534 2.694 0 40 IFAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)C(=O)NC1CCCC1 9739398 QFNMUFIHNQRTDP-UHFFFAOYSA-N 433.555 2.887 0 40 IFAB O=C(Nc1nnc(-c2ccco2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187232 GRKARWRIGLAKIL-VIFPVBQESA-N 428.879 2.836 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)ccc1Cl 10543708 HXPMWYZRMNSMMO-UHFFFAOYSA-N 435.354 2.995 0 40 IFAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCS(=O)(=O)C1)oc1ccccc12 10994566 BJLYEQTZCPIQEJ-CHWSQXEVSA-N 431.466 2.900 0 40 IFAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)COC[C@H]4CCCCO4)nn3cn2)cc1 12085121 LYWVONJLWXYPAE-CRAIPNDOSA-N 425.489 2.563 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1C 12536114 PUZRDPBRUPJTNU-UHFFFAOYSA-N 429.542 2.847 0 40 IFAB Cn1nnnc1SCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 13117378 XAUXVLZTEIOUEV-UHFFFAOYSA-N 442.570 2.811 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 13146293 FGNBBPGOAYSFBS-AWEZNQCLSA-N 440.616 2.974 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1C 13679307 PGHZCOVNSGKHHR-MRXNPFEDSA-N 446.525 2.830 0 40 IFAB COCCN(Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCOCC1)c1ccccc1 14094987 NOAFFFTVBTZHKR-FQEVSTJZSA-N 442.541 2.847 0 40 IFAB CCCCOc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15525289 FDZLVUOUCDMVKA-INIZCTEOSA-N 432.542 2.876 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)c(OC)c2)ccc1OC 15700422 AZGMHCMCNTTXCD-UHFFFAOYSA-N 436.530 2.673 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 15824873 FBRRAIGHFIFEGN-UHFFFAOYSA-N 431.475 2.929 0 40 IFAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)N1CCN(c2ccccc2)CC1 15881737 OUEZROICKLNEOV-UHFFFAOYSA-N 431.525 2.627 0 40 IFAB O=S(=O)(Cc1ccccc1)NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1 16480818 DQKPGVUSNADAQI-UHFFFAOYSA-N 429.932 2.667 0 40 IFAB CCc1nn(C)c(NC(=O)CN2CC3(CCOCC3)Oc3ccc(C)cc3C2=O)c1C 19521076 BGMPHUYAKADXJA-UHFFFAOYSA-N 426.517 2.622 0 40 IFAB CC(C)CC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700709 VYYWGDAYEWUWMK-UHFFFAOYSA-N 440.588 2.858 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(C(=O)c1cccc(N3CCCC3)c1)C2 19701486 XSAKPDQKGLCGHP-GOSISDBHSA-N 436.541 2.855 0 40 IFAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 19703026 IQYZTHKSZCMLRY-MRXNPFEDSA-N 431.539 2.760 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccnc(N3CCCC3)n2)CCO1 19705472 PMIKDQMMEBUHAB-KRWDZBQOSA-N 438.557 2.620 0 40 IFAB Cc1cnc(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)s1 19749626 UYTCUBYTRPTMHJ-GOSISDBHSA-N 433.599 2.746 0 40 IFAB C[C@@H]1CCCN(CC(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)C1 19756462 VIJHPQNKTSARFB-MRXNPFEDSA-N 444.605 2.642 0 40 IFAB CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3nn(CC)cc32)c1 21713815 OBVSPIIDCVHMJZ-UHFFFAOYSA-N 445.523 2.937 0 40 IFAB CN(C)c1nc(N)nc(COC(=O)COc2ccc3ccccc3c2Br)n1 24974753 APVPTAUZLQOSSR-UHFFFAOYSA-N 432.278 2.558 0 40 IFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 29197347 OIDIZGQCUBTREN-AWEZNQCLSA-N 447.504 2.912 0 40 IFAB COc1ccc(C(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)cc1OC 32616608 OUTHLIOHQSMZGB-UHFFFAOYSA-N 437.477 2.520 0 40 IFAB O=C(COc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 32854447 VEWXJBPMBCXIKN-UHFFFAOYSA-N 442.459 2.758 0 40 IFAB O=C(COC(=O)CNC(=O)NCc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 36625915 NQJYGQDYIUABGS-UHFFFAOYSA-N 441.818 2.923 0 40 IFAB NC(=O)CN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(Br)cc1 40152856 NDUJKXBRFLZECC-UHFFFAOYSA-N 442.260 2.977 0 40 IFAB CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)CCCc2nnnn2-c2ccccc2)cc1 48230238 INRCTRXHBCIOMY-MRXNPFEDSA-N 427.530 2.599 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 58066922 RMOPJBDNFBKYJE-NRFANRHFSA-N 447.495 2.935 0 40 IFAB C[C@@H](C(=O)Nc1cccc(NC(=O)NCc2ccnc(-n3cccn3)c2)c1)n1cccn1 58281082 BVOKGSSRKMMFAU-INIZCTEOSA-N 430.472 2.985 0 40 IFAB CCc1noc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)n1 58596034 OJOUGOCHQTUGLW-UHFFFAOYSA-N 449.758 2.554 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccn(CCN(C)C)n2)c1 62581769 FWTYHJLMJQKXQW-UHFFFAOYSA-N 443.529 2.506 0 40 IFAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCc2ccccc2F)c(=O)c1CCO 67300785 XXRYSJSEOORIQQ-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCCc3ccc(OC)c(OC)c3)c2)n1 71768574 ABXUSNCGRXRVQR-UHFFFAOYSA-N 448.483 2.869 0 40 IFAB O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ncccn2)CC1)N1CCSCC1 72328427 CRLNAMNCPIOTQM-UHFFFAOYSA-N 438.532 2.680 0 40 IFAB CCOCCCNC(=O)c1cccc(NC(=O)c2cc(Br)c(C)[nH]c2=O)c1 95944201 CNXUGGAPLOBIML-UHFFFAOYSA-N 436.306 2.855 0 40 IFAB CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 95976774 QOMGLHGUYZOJMY-ROUUACIJSA-N 426.560 2.533 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCN4C(=O)c4ccccc4F)nn3c(O)c2C1 100234865 KPXCIZOKBNLGHI-FQEVSTJZSA-N 449.486 2.846 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCCc2ccco2)s1)c1ccccc1Cl 223274840 AULSUZOZRWOGCI-UHFFFAOYSA-N 426.907 2.948 0 40 IFAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224639103 VHPZIZRCMLPFPM-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 225009894 GDSDKIXFUYYXFI-KRWDZBQOSA-N 431.558 2.879 0 40 IFAB CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 225496724 NQLWYYJHGDPYEQ-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB COc1cccc(Nc2ncccc2C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)c1 257205211 AYCBBBBKBDLSHU-QFIPXVFZSA-N 445.523 2.646 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)COC)Cc2ccccc2)cc1C 408625900 XKHIPEUJMWIHIC-GOSISDBHSA-N 434.558 2.736 0 40 IFAB O=S(=O)(NCc1ccc(-c2ccoc2)o1)c1ccc(N2CCCCS2(=O)=O)cc1 575611863 YTISQUFSVQFOJV-UHFFFAOYSA-N 436.511 2.948 0 40 IFAB CN1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccccn3)CC2)CC1 585269134 KKDAACAEOOIVTC-UHFFFAOYSA-N 436.556 2.547 0 40 IFAB C[C@@](O)(CNC(=O)CCc1nc(-c2ccncc2)no1)c1ccccc1Br 1617929357 RALIMRWNSKJSEP-LJQANCHMSA-N 431.290 2.851 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4ccncc4)nn3C)n(C)n2)c1 1775966506 IEXLQDQLUVHIHP-UHFFFAOYSA-N 432.484 2.830 0 40 IFAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccc(F)c3)c2)n1 1848351751 ACYFJQWRQWOYKU-HJPURHCSSA-N 449.530 2.907 0 40 IFAB COC(=O)c1cc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)cc(C(=O)OC)c1 2629848 HWIDURMORVRSIL-UHFFFAOYSA-N 436.420 2.912 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)NCc1ccccc1 2660877 LYCJPGPUFYDSFG-UHFFFAOYSA-N 430.526 2.725 0 40 IFAB O=C1COc2ccc(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2N1 3222810 IYJWMDVIEZSNBQ-UHFFFAOYSA-N 441.443 2.696 0 40 IFAB Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)NCc1ccccc1 3446565 BUMSNWXCGLODTK-UHFFFAOYSA-N 448.346 2.742 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1=O 3461933 SPSHCMZRXJQEQZ-QFIPXVFZSA-N 427.457 2.508 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 9005285 HEGPVUKPHYLKFC-FQEVSTJZSA-N 432.523 2.584 0 40 IFAB Cc1cc(C)c(C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 9129112 QBJHAJUPDYZGKR-HXUWFJFHSA-N 429.538 2.985 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nn(C)c(=O)c2ccccc12 9443069 XCDOROPRRLZBGK-UHFFFAOYSA-N 440.525 2.669 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9586966 CQSJXCHLOIIBED-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 9618705 FXOKTESUYPDVPG-INIZCTEOSA-N 445.516 2.757 0 40 IFAB CSCC[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1nc2ccccc2[nH]1 9670775 ZVGGPZMYFWWKBM-MRXNPFEDSA-N 429.546 2.728 0 40 IFAB O=C(c1ccco1)N1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)CC1 9727688 HRHRLIHUTWKEJT-UHFFFAOYSA-N 428.448 2.577 0 40 IFAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1ccccc1O2 12086476 ZIHCBGWUKNCZRB-PXDATVDWSA-N 445.523 2.961 0 40 IFAB CC(C)n1c(=O)n(CC(=O)Nc2ccccc2)c2c(C(N)=O)nc(-c3cccs3)nc21 12220587 MYYCLNFKIJEERF-UHFFFAOYSA-N 436.497 2.640 0 40 IFAB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1NS(C)(=O)=O 12520982 AIPPYGIEJPYGMP-ZIAGYGMSSA-N 438.575 2.685 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[C@H](C)CC)C(=O)O 12664438 ZRDZGZVFKZGFQP-KNCCTNLNSA-N 429.521 2.596 0 40 IFAB biogenic COc1ccc(CC(=O)Oc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 12875023 FHZXJSHSIJVDSZ-UHFFFAOYSA-N 433.526 2.988 0 40 IFAB CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)C(=O)c1ccco1 12879959 GQJKZZFFIZQGOL-WJDWOHSUSA-N 447.900 2.858 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(C)c1C 12911517 RXYDULLFVPUZMZ-SFHVURJKSA-N 430.526 2.960 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14023017 VYMXNAJFIALEKK-UHFFFAOYSA-N 429.484 2.653 0 40 IFAB Cc1nc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c2c3c(sc2n1)CCC3 15143824 AOFXWGMEKNISHN-UHFFFAOYSA-N 438.582 2.880 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(F)c(C)c2)cc1 15780585 ZHQCNFOUFDNCNS-UHFFFAOYSA-N 448.516 2.796 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 16188220 COMDXDKQIWDRHB-UHFFFAOYSA-N 432.420 2.982 0 40 IFAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCN(C(=O)Cn4cncn4)C3)c2)cc1 19212572 CYKGYBLSSZRADT-VWLOTQADSA-N 431.540 2.803 0 40 IFAB CSCC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19288658 DNJWADSDBCKRRK-QGZVFWFLSA-N 438.557 2.668 0 40 IFAB O=C(CCn1cccn1)N1CCO[C@@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 19293320 OGEALAYQZOKYRC-MRXNPFEDSA-N 435.406 2.866 0 40 IFAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1CC(=O)N(C)C 19694815 LSDOFGAFQMZJOC-KRWDZBQOSA-N 427.549 2.842 0 40 IFAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2n[nH]c(=O)c3ccccc23)nc1C 19765515 PTANURWSBUQEJM-IBGZPJMESA-N 448.527 2.871 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3F)c(N)n2)CC1 19765946 YPJMCQXAQJQPCH-UHFFFAOYSA-N 436.491 2.784 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4snnc4C)C3)nc2C)cc1 19766218 AINYUUPMLSCBKH-CQSZACIVSA-N 438.513 2.836 0 40 IFAB Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2cc1C 19940791 ZESKQNCSAWUNQL-QFIPXVFZSA-N 430.512 2.601 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1C 20008629 GBSIQKKQRFOJJQ-NRFANRHFSA-N 439.537 2.605 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)c1 20106846 YANBHZYTWVXKEW-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCN1CCOCC1 20289519 DZMHXMQWKNFNHX-UHFFFAOYSA-N 448.502 2.568 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 20453529 TZTNZWGNURYFAQ-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 21816911 UHMNGRAKCJOPLF-OAQYLSRUSA-N 427.932 2.841 0 40 IFAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(Oc2ccccc2)cc1 22996960 AEPVRCAWZMRVNT-NRFANRHFSA-N 427.501 2.573 0 40 IFAB CCCn1c(S[C@H](C)C(=O)N2CCOCC2)nc2ccc(Br)cc2c1=O 23077706 RJTDVZNPDSEXTN-GFCCVEGCSA-N 440.363 2.908 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccccc1I 28327654 NJMPUUWCXBZCGS-LLVKDONJSA-N 444.294 2.772 0 40 IFAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(=O)n(CCOc2ccccc2)n1 29291792 KTYLJVWDHGGOKG-UHFFFAOYSA-N 432.480 2.697 0 40 IFAB O=C(NCCCn1cccn1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 30171260 HOXWSFCYTKFBJA-UHFFFAOYSA-N 445.372 2.797 0 40 IFAB Cc1c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cnn1-c1ccc(C(F)(F)F)cn1 30515665 BDIVVWIXKHSHRW-INIZCTEOSA-N 425.455 2.681 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 31682995 SDOGTBNDRGOGRX-UHFFFAOYSA-N 441.391 2.624 0 40 IFAB CCn1cc(Br)c(C(=O)Nc2c3c(c(OC)c4c2OCO4)CN(C)CC3)n1 32123952 FXSLXJPQHMVPCA-UHFFFAOYSA-N 437.294 2.643 0 40 IFAB biogenic C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1F 36415424 YBMQRHVEEHPWMK-UONOGXRCSA-N 430.455 2.988 0 40 IFAB CC(C)NC[C@H](O)COc1ccc(Cc2ccc(OC[C@@H](O)CNC(C)C)cc2)cc1 45335185 MNVJIHMQUQYNOM-GOTSBHOMSA-N 430.589 2.753 0 40 IFAB in-vitro O=C(CN(CC1CCCCC1)C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 59409297 GYRSIBHKCFHRFE-UHFFFAOYSA-N 433.618 2.705 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4)c3c2=O)cc1 62007335 AGMQXVFTDSVRBC-UHFFFAOYSA-N 435.505 2.894 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69930223 IPVCHUMUUOMRIJ-QPPBQGQZSA-N 426.605 2.759 0 40 IFAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)N1CCN(c2ccc(F)cc2)CC1 71769051 KWWZGLHPEYKIPR-UHFFFAOYSA-N 426.467 2.681 0 40 IFAB CCCCCCN(CCN1CCOCC1)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 72308253 DRCQOBQUJVSUMQ-UHFFFAOYSA-N 446.636 2.881 0 40 IFAB Cn1nccc1C(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 72337598 KAVNDDYCONBAAR-UHFFFAOYSA-N 426.492 2.533 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3c[nH]nc3C)CC2)cc1 72352149 MNPQMMZBINULLS-UHFFFAOYSA-N 436.516 2.807 0 40 IFAB COc1cc(CN2CCC(c3nnsc3-c3cc(C)no3)CC2)ccc1OCC(N)=O 72392662 VXFLPMRRMLZNSH-UHFFFAOYSA-N 443.529 2.754 0 40 IFAB O=S(=O)(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccc2c(c1)OCCO2 77101183 PAKKFJPJMDRHIC-UHFFFAOYSA-N 429.420 2.665 0 40 IFAB CO[C@@](C)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1F 96123644 JRPDZXSYIURVCT-QHCPKHFHSA-N 427.476 2.959 0 40 IFAB C[C@H]1CN(C(=O)c2cnc(-c3noc4cc(N5CCN(C)CC5)ccc34)s2)C[C@H](C)O1 96154600 AIYMAKBYUJEOHO-GJZGRUSLSA-N 441.557 2.953 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 113941021 RBPCXGXOHJKTEG-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB N[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218242321 HWWKMWIHOCUIIC-DZKIICNBSA-N 430.707 2.824 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)n2)cc1 219968182 ZXMIBWVEAUUPBI-UHFFFAOYSA-N 440.525 2.901 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222739085 ZMFCMUYTAPRYQI-OAHLLOKOSA-N 448.541 2.527 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1CCN1CCOCC1 223134940 BNXQEPHNXVNXRU-YADHBBJMSA-N 437.569 2.829 0 40 IFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3cc(C(=O)OC)ccc3C)n2)cc1 223616390 TUQHNFLOLAUELH-UHFFFAOYSA-N 431.470 2.709 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3F)S(C)(=O)=O)n2)cc1 223833122 YXIBUSCZADJNLA-UHFFFAOYSA-N 446.504 2.604 0 40 IFAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1N1C(=O)CCC1=O 224081763 ONYKYPOTUSOYNU-UHFFFAOYSA-N 448.566 2.869 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc21 225072731 LRFBAMJVZUKPHC-ZDUSSCGKSA-N 449.529 2.779 0 40 IFAB Cc1ccccc1CN(C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[C@H](C)C(=O)NC(C)C 225491284 RZGJMBCDZRSFTO-NRSPTQNISA-N 439.556 2.578 0 40 IFAB O=C(CN1CCN(c2ccccc2)C1=O)N1CC[C@@H](Oc2ncccc2Br)C1 238821015 CQRPUWTUSDEQSL-MRXNPFEDSA-N 445.317 2.766 0 40 IFAB CCC(CC)C(=O)N1[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N[C@@H]2CCCC[C@H]21 250740463 NTJMUTZDJGUNKR-KZNAEPCWSA-N 429.517 2.818 0 40 IFAB CN1C(=O)CO[C@@H](C(=O)N(CCC(=O)O)CCc2cccc(Cl)c2)[C@H]1c1ccccc1 257218736 DEGOFMAHAOSVRD-FGZHOGPDSA-N 444.915 2.784 0 40 IFAB O=C(c1ccccc1)N1C[C@H]2[C@@H](C1)NS(=O)(=O)c1ccccc1N2C(=O)c1ccccc1 306129660 IJDDWORJAQKCIK-CTNGQTDRSA-N 447.516 2.519 0 40 IFAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1)Nc1ccccc1 408615164 MTNQETVQKCYQEI-QGZVFWFLSA-N 433.464 2.966 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1cccc(F)c1 408621127 OEWBYOOTBAUSTC-UHFFFAOYSA-N 433.505 2.857 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NC[C@H]1CCCO1 408637107 XSYLACGAESOFKG-HXUWFJFHSA-N 446.569 2.532 0 40 IFAB O=S(=O)(CCc1ccccc1)N1C[C@@H]2CN(c3ccc(Br)cn3)C[C@H]2C1 2298235440 MLZIDEXWDWYQDQ-IRXDYDNUSA-N 436.375 2.785 0 40 IFAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2F)CC1 665908 BDBNCOGPHRTQIT-UHFFFAOYSA-N 446.331 2.760 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2382002 RRFOGARRRPVIML-SFHVURJKSA-N 443.569 2.848 0 40 IFAB COC[C@@H](C)NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3288114 NEFZWPZYUJWWTO-OAHLLOKOSA-N 441.557 2.503 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N 3406333 NPMYGJLZTOMUDP-UHFFFAOYSA-N 427.486 2.575 0 40 IFAB O=C(Cc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1 4277700 ZVIQRYZZGGCUIP-RBUKOAKNSA-N 428.492 2.684 0 40 IFAB biogenic,in-vitro O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791568 XTFYPXUCKYPXKT-UHFFFAOYSA-N 443.459 2.591 0 40 IFAB CC(C)CN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(CC(C)C)c(=O)n1C 5148231 OBTLJDCHQHJFAQ-UHFFFAOYSA-N 426.496 2.572 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)c1ccccc1 9303563 HRIUFRFTCFQMRZ-GOEBONIOSA-N 430.555 2.969 0 40 IFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 9464710 LUVWFUYTJOUCGW-GTJPDFRWSA-N 427.482 2.630 0 40 IFAB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1 9545158 GKQRAUIPKQAHIS-CYBMUJFWSA-N 436.555 2.919 0 40 IFAB CCOC(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)CC1 9627820 IYTWOIAYZHGERZ-UHFFFAOYSA-N 436.921 2.892 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9637360 GDNGKJGGHNUPEN-LJQANCHMSA-N 431.489 2.744 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c1 9674617 UALHWNPGGNHCJV-IAGOWNOFSA-N 429.889 2.994 0 40 IFAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733744 GWEUNFGQVWJZKB-AWEZNQCLSA-N 441.550 2.811 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 10032406 VJWCLNCIZKGPQW-VOIUYBSRSA-N 437.544 2.665 0 40 IFAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c(C)c1 10271881 XWMQHGWJHJGHDB-UHFFFAOYSA-N 448.571 2.858 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc(F)c(F)c3)CC2)c1 11796651 LNDCLJGKQYBHHT-UHFFFAOYSA-N 437.512 2.545 0 40 IFAB O=C(Nc1nc(CCC(=O)N2CCN(c3ncccn3)CC2)cs1)c1ccc(F)cc1 11834924 WNBSSDQWGGTZFF-UHFFFAOYSA-N 440.504 2.606 0 40 IFAB Cc1cc(-c2cncnc2[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)on1 12127960 JGRUHJHVEFSYAO-HNNXBMFYSA-N 442.497 2.780 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(Cc2ccncc2)CC1 12533504 UYMYDUMMCZREOX-UHFFFAOYSA-N 442.585 2.604 0 40 IFAB CCc1cccc(N2C[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2=O)c1 13003642 YAUOMWOKCZSNRK-KRWDZBQOSA-N 429.542 2.799 0 40 IFAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CC=C(c2ccccc2)CC1 14198300 MDADVQFHDDOACB-QFIPXVFZSA-N 428.492 2.947 0 40 IFAB COc1cc(Br)c(CC(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1OC 18522226 TWFWXFAUXOJOEX-JTQLQIEISA-N 427.251 2.876 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CN3C[C@H](C)O[C@H](C)C3)CC1)N2 19128674 NAKWIZULVAHWKL-CIRFHOKZSA-N 443.514 2.827 0 40 IFAB NC(=O)c1cccc(-c2ccc([C@@H]3CN(C(=O)CN4Cc5ccccc5C4)CCO3)nc2)c1 19692460 ILAGTHOXNNFOKI-DEOSSOPVSA-N 442.519 2.763 0 40 IFAB CCCc1cc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)no1 19694889 YPHURKZDCLMIKU-KRWDZBQOSA-N 448.527 2.879 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)nc2c1CCN(C(C)=O)C2 19708657 NVBMBCYYJMUBBD-OAQYLSRUSA-N 442.608 2.597 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CN(C)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 19757577 OJYXKHOECFOYIT-LJQANCHMSA-N 439.535 2.608 0 40 IFAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 20017739 FBLMJLGEKFIAMR-INIZCTEOSA-N 432.542 2.982 0 40 IFAB CCN1CCN([C@@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 21097974 CEDGPVQZKHQAHO-QFIPXVFZSA-N 431.602 2.958 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 22333815 SDAKBXRVYQETIF-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB CCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)CC1 22468832 APSMWOGOQATTIZ-QGZVFWFLSA-N 437.569 2.734 0 40 IFAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(CC(=O)NC2CC2)CC1 23249081 SVMTWKXNDUSIQG-UHFFFAOYSA-N 440.588 2.510 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23409201 RNENVOAMNZPCTB-FQEVSTJZSA-N 430.476 2.605 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 24805279 PGJCHVCTQOEBEY-INIZCTEOSA-N 432.542 2.967 0 40 IFAB CCCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2nnc(C(C)C)s2)n1 27794762 IJLUZBMOFNJSDN-UHFFFAOYSA-N 434.341 2.650 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 32820710 VHZMRKBOVCRCCD-RDTXWAMCSA-N 436.505 2.873 0 40 IFAB COc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc(OC)c1 32901735 BPJJKDCESJCDLT-GJZGRUSLSA-N 430.457 2.719 0 40 IFAB CCCCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1nc2ccccc2c(=O)[nH]1 32904970 ARXJJZBIBYQQQW-UHFFFAOYSA-N 435.528 2.866 0 40 IFAB CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)S(=O)(=O)c1cccs1 39975747 KIFFLYZFZQBESG-MRXNPFEDSA-N 436.555 2.894 0 40 IFAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 40104499 RYTGADQRTKMXAL-LPHOPBHVSA-N 444.557 2.859 0 40 IFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 40134441 UPCCZQSAXWKURL-RDTXWAMCSA-N 428.480 2.639 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@H](C)NC(=O)C2CCCC2)cc1OC 40144475 ACWLTVPBWHJIEZ-LBPRGKRZSA-N 427.339 2.820 0 40 IFAB CC(C)(C)OC(=O)N1[C@@H](CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)COC1(C)C 40157831 RKVIBYRGJTUSHT-QWHCGFSZSA-N 447.579 2.511 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)cnc32)c1 40478127 WWWUSNHXZOYWIZ-UHFFFAOYSA-N 432.484 2.807 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(-c2ccco2)on1 42379829 FQUZNPBBJODWJK-UHFFFAOYSA-N 434.387 2.987 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 44948597 UVZUKBCSCZSGOC-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 49406509 BOTZBDFSVFUXAP-UHFFFAOYSA-N 437.475 2.758 0 40 IFAB CCCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945723 CJIMUBCATDWCFJ-HXUWFJFHSA-N 430.524 2.705 0 40 IFAB CCN(CC)[C@@H](CNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)c1ccco1 58006297 NMFXLRNENXECPG-KRWDZBQOSA-N 435.546 2.542 0 40 IFAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 58146083 URYBMBNMCATWBP-UHFFFAOYSA-N 449.504 2.962 0 40 IFAB Cc1cccn2cc(COc3ccccc3C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)nc12 72236015 NHESCJFQYXMXFI-JOCHJYFZSA-N 448.523 2.685 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)CCc4nc(C)no4)C3)c2)cn1 72353780 GZCRLRSTXSMFBZ-GOSISDBHSA-N 448.527 2.842 0 40 IFAB Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n[nH]1 78822112 NGYLGCREPGMJNT-NSHDSACASA-N 430.862 2.930 0 40 IFAB CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCNc2ncccc2C(F)(F)F)CC1 84240456 KCKJJDVKQSUBJB-UHFFFAOYSA-N 445.486 2.618 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2CC(Oc3nc4c(OC)cccc4s3)C2)cc1 90594432 QIMFXMIWGJTJID-UHFFFAOYSA-N 434.495 2.543 0 40 IFAB Cc1n[nH]cc1CCCNC(=O)[C@@H](C)CNC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 95397406 FPRMZBHGRLTGSS-GJBLVYBDSA-N 446.935 2.657 0 40 IFAB O=C(N[C@H](CCO)c1ccccc1Br)c1cnn(CCN2CCCCC2)c1 96006456 XOAGCLLUADNHDZ-LJQANCHMSA-N 435.366 2.985 0 40 IFAB COc1cccc(CCNC(=O)[C@H]2c3c(ncn3C(C)C)CCN2C(=O)c2cccnc2)c1 96265075 DDUOZYTVNLPPIO-HSZRJFAPSA-N 447.539 2.966 0 40 IFAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 100639602 CVQRHMLKWFJPEG-JZLBUFGTSA-N 448.544 2.982 0 40 IFAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101899576 SGGNUWMCYCOYSD-SVMVAKDDSA-N 449.507 2.721 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1 218791392 UDYMKTPLABSNCW-IBGZPJMESA-N 432.498 2.728 0 40 IFAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 223741482 VKKZZMBCTFZOCL-UHFFFAOYSA-N 446.569 2.814 0 40 IFAB COc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c(OC)c1 224710412 UUKSHAMSEIVHAE-UHFFFAOYSA-N 438.521 2.748 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccc(F)cc1 224814858 GAWHXDCRPLLZNW-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4nc(-c5ccccn5)cs4)C3)ncn2)n1 390827276 VTHFIDNFAIEPDZ-UHFFFAOYSA-N 432.513 2.873 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408657414 JYWUQWYSXIBAPG-HDICACEKSA-N 434.448 2.946 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 409066248 HPRMQCPYMLOJDR-WFZBXURCSA-O 430.484 2.720 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)cc3)n2C)cc1 409339031 DLYSKUSDDNFJGX-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)COC 643584190 IHGHZZJZMOGMHV-JOCHJYFZSA-N 444.620 2.934 0 40 IFAB NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4 2270529 ILNZPCHQXNINAG-UHFFFAOYSA-N 425.539 2.941 0 40 IFAB CCOc1cc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)ccc1OC(C)=O 2381351 JGMWXIVOZDHEKY-UNOMPAQXSA-N 437.477 2.698 0 40 IFAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)NC1CCCCC1 3317801 OFCINMMMXAVXGD-UHFFFAOYSA-N 428.938 2.730 0 40 IFAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1 8941675 MLLQTUJWPQYWNV-UHFFFAOYSA-N 444.962 2.703 0 40 IFAB COc1ccccc1[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)N1CCCC1 9119839 FXHHGGZMDGCIJV-OAQYLSRUSA-N 445.585 2.577 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC 9416541 MPBATPWYPMITRY-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1C 9438558 IENXUKKITSQZFI-HLIPFELVSA-N 436.574 2.959 0 40 IFAB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccncc1)c1ccccc1 9973017 DUGJNAUXOYHNSK-RTBURBONSA-N 434.404 2.556 0 40 IFAB Cc1ccc(NC(SCC(=O)N2CCCC[C@@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973894 GAYITKICZOSCEX-HNNXBMFYSA-N 444.557 2.803 0 40 IFAB COc1cn(CC(=O)NCCc2ccccc2)c(CSc2nnc(C)s2)cc1=O 10254777 QHCJBDKZYWQKBH-UHFFFAOYSA-N 430.555 2.668 0 40 IFAB O=c1[nH]c(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1CCC2 12113686 QQHXUZIEWKGXFX-UHFFFAOYSA-N 442.463 2.543 0 40 IFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)[C@@H]2CCOC2)C1 12156784 YPJLJTXREKSYLX-BOCKYXSRSA-N 432.492 2.917 0 40 IFAB CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 12231446 CYYHNAZWVAYVRM-UHFFFAOYSA-N 430.871 2.560 0 40 IFAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n(N)c2=O)cc1 12347752 GFYGSZAQEVGXEV-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 12804902 VKWAIRXJRQCDMP-BFUOFWGJSA-N 437.452 2.514 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 13500287 KPGTYTQNWTZIKP-FQEVSTJZSA-N 442.564 2.860 0 40 IFAB Cc1ccccc1-c1ccc(N2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)nn1 13666776 NWPGTTDUJMHVPL-UHFFFAOYSA-N 432.480 2.908 0 40 IFAB CSc1nc2nc(C)c(CC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)c(C)n2n1 15826231 BJDNIGPWYIOPEZ-CQSZACIVSA-N 436.545 2.806 0 40 IFAB COc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c(OC)c1 16843614 OHFSKJPOJJHROW-UHFFFAOYSA-N 443.529 2.972 0 40 IFAB CSCC[C@H](C(=O)N(C)CC(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 18006927 MKDZEYCQQYGHCS-GOSISDBHSA-N 443.500 2.641 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 19235114 WCNVWZNWERLDCM-MBSDFSHPSA-N 429.586 2.561 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)[C@H]3CCCO3)C1)C[C@@H]2C(F)(F)F 19530916 MPIRIYFEXQTVSV-ARLBYUKCSA-N 444.454 2.765 0 40 IFAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19572440 KHZKDBANXOVLPR-JOCHJYFZSA-N 448.560 2.555 0 40 IFAB Cc1nn2c([C@@H]3CN(C(=O)CCC4CCCC4)CCO3)ccnc2c1CN1CCOCC1 19707751 VARQJOWOQJZUJM-QFIPXVFZSA-N 441.576 2.740 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 19741361 RZRVJPKADNYNCH-GOSISDBHSA-N 432.521 2.890 0 40 IFAB Cc1nn(C)cc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 19756365 SZAAKLAGEABCJT-UHFFFAOYSA-N 438.551 2.986 0 40 IFAB Cc1ccc(CC(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)cc1C 19765769 YYJMYHFEWHMMBX-UHFFFAOYSA-N 436.556 2.702 0 40 IFAB Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1C 19823423 NZWOSCFHCKIZNH-UHFFFAOYSA-N 430.618 2.810 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 20213441 DDADMHMUIPFLRI-UHFFFAOYSA-N 433.508 2.983 0 40 IFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(c2cccc(C)c2C)CC1 22251697 FSUBAQKISVZPDN-UHFFFAOYSA-N 431.558 2.670 0 40 IFAB COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1O 22357400 HTSNAWWCEMKTBM-WJXUGBSRSA-N 426.469 2.821 0 40 IFAB O=C(NCCCN(C(=O)c1cccnc1)C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 22472312 OEMQZQXJOAKSMV-UHFFFAOYSA-N 433.512 2.913 0 40 IFAB O=C(O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22533113 RVMNOLOYOFSCLC-IBGZPJMESA-N 430.526 2.998 0 40 IFAB CCC(CC)[C@H](CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)N1CCOCC1 22898976 JFFFYUKDLOBOOP-FQEVSTJZSA-N 430.524 2.547 0 40 IFAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@H]1CCCO1 23196299 BXQDYXQNBRSVKT-HNAYVOBHSA-N 446.525 2.946 0 40 IFAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23762467 OMUHBCWIUKAVTK-VWLOTQADSA-N 435.568 2.649 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CCOc1ccc(F)cc1 24187782 DMZUCQKPYUWHBI-IBGZPJMESA-N 426.485 2.805 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)OCCO2 31288966 OGLLCPCMBQTPBU-SJLPKXTDSA-N 430.526 2.736 0 40 IFAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 31690045 HMDSGLMOIBEUHN-UHFFFAOYSA-N 441.347 2.737 0 40 IFAB CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 40013351 INUSQJVFCHNDER-LBPRGKRZSA-N 437.495 2.694 0 40 IFAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)cc1 57428138 SFLMKIRQJACCIP-UHFFFAOYSA-N 429.542 2.834 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCC(C)C)cc1OC 59516210 FQQXHMYUGVXXEZ-UHFFFAOYSA-N 434.558 2.709 0 40 IFAB COc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OC(F)F 71850192 VQMMUASEKQLPMO-ZDUSSCGKSA-N 446.497 2.828 0 40 IFAB O=C(NCCCc1nnc2n1CCCCC2)c1ccc(CS(=O)(=O)c2ccccc2)o1 72301232 HAOYHWIKKUEVAW-UHFFFAOYSA-N 442.541 2.934 0 40 IFAB COc1ccccc1NC(=O)COC(=O)COc1ccc(I)cc1 72330983 HHWHXKKHUUVMDU-UHFFFAOYSA-N 441.221 2.861 0 40 IFAB COc1ccc(S(=O)(=O)CC(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1 77157119 XZGNRGJQFJRKFY-UHFFFAOYSA-N 436.486 2.650 0 40 IFAB CC(C)(C)c1cc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)n([C@H]2CCS(=O)(=O)C2)n1 95389703 ZQUVKIIYWGMZLP-WMZOPIPTSA-N 445.589 2.941 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCCNC(=O)c3ccco3)C2=O)cc1 96124558 ZIIVUVVBMOMTHP-NBVRZTHBSA-N 441.509 2.951 0 40 IFAB CN(C)[C@H]1CCN(C(=O)c2ncn3c(C4CCN(C(=O)c5ccccc5)CC4)ccnc23)C1 96155750 PJLADWIGHQZSLI-FQEVSTJZSA-N 446.555 2.525 0 40 IFAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(OC)c(OC)c1 218795201 HQPABVSTRCYRND-IIBYNOLFSA-N 448.541 2.888 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O 220068234 XVZQQJJADIVCSN-UHFFFAOYSA-N 435.571 2.953 0 40 IFAB COc1ccc(CNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(OC)c1OC 222584609 AKWBJGKASCJWQY-UHFFFAOYSA-N 434.514 2.572 0 40 IFAB COc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 222886306 MUIIFRGWFMKSAK-UHFFFAOYSA-N 432.542 2.737 0 40 IFAB O=C(NCCO)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223073695 XRVLPUYODCGLEZ-DEOSSOPVSA-N 432.520 2.814 0 40 IFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223132777 RDZNDEUMIFGRIW-UHFFFAOYSA-N 445.526 2.731 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224658613 WUFOVRMUEUPWHK-IBGZPJMESA-N 445.585 2.559 0 40 IFAB COCCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC(C)CC2)n1 225901145 JLMOXJRCDNSBRK-UHFFFAOYSA-N 433.607 2.977 0 40 IFAB CCCc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)no1 257255156 KGIWNNKCNNSREQ-SONWIMMPSA-N 441.572 2.931 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cnn(C(C)C)c4)C[C@H]2C3)cc1 306139899 UDPWPLOCSALNGT-MSOLQXFVSA-N 435.532 2.621 0 40 IFAB Cc1snnc1C(=O)N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2cccnc2)C1 585103065 PKRWMUPTIACRJD-DENIHFKCSA-N 427.574 2.632 0 40 IFAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1ccccn1)CC2 643581635 MYJOQAPBWJZUKV-UNMCSNQZSA-N 444.620 2.902 0 40 IFAB COc1ccc(NC(=O)C[C@@H]2Cc3c(O)nc(NCc4ccccc4)nc3NC2=O)cc1 1548338309 GJQZOECBUAAZSH-HNNXBMFYSA-N 433.468 2.943 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nc2cn(C)nc2c(=O)n1CCC(C)C 1565519989 AQHHYEDBQGPXLB-UHFFFAOYSA-N 443.529 2.694 0 40 IFAB O=C1COc2ccccc2CC=CC[C@H]2CN(C(=O)c3cc4c(nc3O)CCC4)CC[C@H]2N1 2037818643 CARREDAFBPPCPX-SIKLNZKXSA-N 447.535 2.804 0 40 IFAB CCOc1ccc(OCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 2628361 YHRWIHVYPUPRJD-UHFFFAOYSA-N 433.258 2.978 0 40 IFAB CC(=O)NCCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O 2971936 QHWKPPJBAJCVEJ-UHFFFAOYSA-N 428.558 2.631 0 40 IFAB CCn1c2ccccc2c2nnc(SCC(=O)OCC(=O)NCc3ccco3)nc21 6135672 QSVKYEYIHHQKMW-UHFFFAOYSA-N 425.470 2.544 0 40 IFAB COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCCCCC3)c(=O)[nH]c2c1 6282855 GJAZGBSYZQTJIS-NQIIRXRSSA-N 438.532 2.668 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)NCCc1ccccc1F 7252380 UKLVICABWBHVKL-QFIPXVFZSA-N 425.504 2.765 0 40 IFAB Cc1c(C)c2ccc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(C)c2oc1=O 8877668 PAJBGQYAGYFSOC-MSOLQXFVSA-N 434.492 2.905 0 40 IFAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCCC2)cc1 9245145 UPYKIACVKNPZHV-UHFFFAOYSA-N 430.530 2.504 0 40 IFAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)N1C(=O)c2ccccc2C1=O 9987395 OITRPYVIYPIXPL-NSHDSACASA-N 429.358 2.909 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1C 12568636 MBUXFVHYCBDZHD-QFIPXVFZSA-N 444.601 2.622 0 40 IFAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12634315 BMCHCFWZKKXJFH-INIZCTEOSA-N 449.523 2.639 0 40 IFAB CN(CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 12853741 AZQBTAHTULTXBH-SFHVURJKSA-N 439.965 2.897 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1 12882020 PKGMZAMQWNAIJK-UHFFFAOYSA-N 429.542 2.538 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2nc(-c3ccco3)no2)CC1 12952312 LWUGEDVIOHKBDG-UHFFFAOYSA-N 428.514 2.715 0 40 IFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 13163586 KJXIRKBALBNSBW-LFVRLGFBSA-N 439.468 2.651 0 40 IFAB Cc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)cc1 13992336 NFNRNELUXXHOEE-UHFFFAOYSA-N 431.467 2.975 0 40 IFAB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1ccc(OC)c(OC)c1OC 15083682 KUWUKGFADNZBTO-UHFFFAOYSA-N 435.429 2.777 0 40 IFAB O=C(CN1CCc2[nH]nc(-c3ccccc3F)c2C1)N1CCC[C@H](c2csnn2)C1 19368306 UWEGHCHHJMKLLL-AWEZNQCLSA-N 426.521 2.832 0 40 IFAB CC1(C)C[C@@H](CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C(=O)O1 19460913 QXZYVBHPTYPYJK-RFQIPJPRSA-N 429.443 2.536 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2ccncc2)CCO1 19529307 ZOBDPVPIMLLMRF-VWLOTQADSA-N 430.508 2.734 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19572422 DJPRFEZZJDTWKB-UHFFFAOYSA-N 446.544 2.704 0 40 IFAB COc1ccccc1OCC(=O)N1CCC(c2ncc(C(=O)N3CCCC3)c(C)n2)CC1 19766525 AAAQPKUWKNACKL-UHFFFAOYSA-N 438.528 2.815 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 20006867 SLDLQRAYNICMMX-HXUWFJFHSA-N 439.537 2.605 0 40 IFAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccn2)N1CCN1CCOCC1 20308168 RYSWXZGKGVCHIZ-LJQANCHMSA-N 425.872 2.719 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(Cc2ccncc2)CC1 23820004 ZHYQVCDSKTUYBG-UHFFFAOYSA-N 442.585 2.604 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)Cn1ncc(Br)c(Br)c1=O 24037527 VUVGICOLJAOWHX-VIFPVBQESA-N 427.096 2.746 0 40 IFAB NS(=O)(=O)c1ccc(Br)c(C(=O)OCCCOc2ccc(F)cc2)c1 24782107 YTHOUVJNGJOCQN-UHFFFAOYSA-N 432.267 2.862 0 40 IFAB COc1cc(OC)cc([C@H](NC(=O)[C@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 25160658 DYCCXPYWSFRCPW-XOBRGWDASA-N 436.468 2.812 0 40 IFAB COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c(OC)c1 31811035 VHJDNHKLZNPQHL-QGZVFWFLSA-N 437.485 2.639 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)n2N)c(OC)c1 32719420 AJBNWQCRFSVMQS-OAHLLOKOSA-N 441.557 2.906 0 40 IFAB C[C@H](C(=O)OCc1cc(=O)n2c(n1)sc1ccccc12)N1C(=O)c2ccccc2C1=O 32910206 VIOXOHWBMXANLA-GFCCVEGCSA-N 433.445 2.637 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Br)cc1 32940002 KRNGJMMSVZBNAO-ZENOOKHLSA-N 425.323 2.806 0 40 IFAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 33938634 FRNWPTRXNLTCSJ-KEXUJGGDSA-N 426.469 2.840 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1 34880616 AVNAXSLRBYOHLG-JKALPCAWSA-N 449.488 2.815 0 40 IFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c(=O)c32)c(F)c1 38828198 BRNWCNXQKGDXKW-MJBXVCDLSA-N 427.480 2.764 0 40 IFAB Cc1nc(C(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)nn1-c1ccccc1C(C)C 70004671 UABBDOSGSTXNGB-HNNXBMFYSA-N 441.479 2.893 0 40 IFAB C[C@H](C(=O)Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1)n1cncn1 71808655 CJRVKCADSWLJSR-UXPWSPDFSA-N 442.520 2.670 0 40 IFAB Cc1cc2ncn(C[C@H](O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C 71949256 FUAMUSMYDLJIHB-CPJSRVTESA-N 432.524 2.970 0 40 IFAB CC[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)CCCN4CCCC4=O)CC3)cc2NC1=O 72339725 UJMZFSAKZJUVPK-LJQANCHMSA-N 441.528 2.620 0 40 IFAB CC(C)N1CCC(C(=O)N2CCC[C@@H](c3cc4nc(N(C)C)ncc4c(O)n3)C2)CC1 72341522 CQIWINKUGOWLEQ-QGZVFWFLSA-N 426.565 2.623 0 40 IFAB CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)c1ccc(-c2ccccc2)nn1 79061303 QEEHZHKSWGMJFP-UHFFFAOYSA-N 439.541 2.933 0 40 IFAB Cc1nc2cc([C@H]3CCCN(C(=O)[C@H](C)n4ncc5ccccc5c4=O)C3)nn2c(O)c1C 100723868 UGXANAPKZAVVSK-WMZOPIPTSA-N 446.511 2.729 0 40 IFAB CCOC(=O)c1sc(NS(=O)(=O)c2cc3oc(=O)n(CC)c3cc2C)nc1C 223359918 WESYCWGWQWUHRT-UHFFFAOYSA-N 425.488 2.665 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225508027 WPOHHIKYQLSLPQ-HXUWFJFHSA-N 438.553 2.898 0 40 IFAB Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NCc2ccccc2)CN3C)cc1 306123560 AQDPBYSSCQLOIF-RUZDIDTESA-N 430.556 2.607 0 40 IFAB COCCN1C[C@]2(CCN(Cc3cc(C)cc(C)c3)C2)Oc2ccccc2S1(=O)=O 306126519 DYDAJRIKQWUDMM-HSZRJFAPSA-N 430.570 2.978 0 40 IFAB CN(C)[C@@H](CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 530601972 DCHIURZOAWBOFW-GMAHTHKFSA-N 430.980 2.879 0 40 IFAB CCOc1cc(CN2CC[C@H]3CC(=O)NC[C@H](O)C(C)(C)COCCC[C@H]3C2)ccc1O 1534613386 SYGZAWKOUCJMHN-JTAQYXEDSA-N 448.604 2.933 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccccc1)n1cccc1)[C@@H](C(N)=O)C2 1565519097 PFOZNEFRNOVDLO-NHCUHLMSSA-N 433.508 2.728 0 40 IFAB biogenic CCN(CC1CCC1)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1615552916 YYHPLYPZUZTJKI-UHFFFAOYSA-N 430.597 2.820 0 40 IFAB O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)N1CCCCC1 901876 BCFMRQBPPUTQRC-UHFFFAOYSA-N 436.559 2.626 0 40 IFAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(F)c1 1103818 JTVWPSITUIWZOJ-QGZVFWFLSA-N 435.455 2.755 0 40 IFAB O=C(COc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccnc2)C1 4277695 XGCICOUTNXTPEQ-PKOBYXMFSA-N 444.491 2.520 0 40 IFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2c(s1)CCCC2 8692951 HRQXJJWQYKYFHP-UHFFFAOYSA-N 436.555 2.909 0 40 IFAB Cc1ccc(-c2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)o2)cc1C 8723707 ZNIKCNVTRHTXPK-UHFFFAOYSA-N 428.514 2.633 0 40 IFAB CCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 8816154 YFOAXAVXLUFTNG-MRXNPFEDSA-N 445.541 2.765 0 40 IFAB COC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 9010482 RFAFQEMEKWVIMG-UHFFFAOYSA-N 445.497 2.595 0 40 IFAB O=C(COC(=O)c1ccc(-n2cccn2)cc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 10349131 AEZHUVNJDGGQQT-UHFFFAOYSA-N 435.408 2.664 0 40 IFAB C[C@H](C(=O)N1CCc2ccccc2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085975 GYXQSEYLYMNZTD-CRICUBBOSA-N 432.524 2.524 0 40 IFAB CS(=O)(=O)c1ccc(C(=O)OCc2cc3c(cc2Br)OCCO3)cc1 12094632 UMPRUSJERRYEKW-UHFFFAOYSA-N 427.272 2.981 0 40 IFAB COc1cccc(O[C@@H](C)C(=O)N2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)c1 12219673 OOJZGPBNKNYUFT-HNNXBMFYSA-N 435.484 2.821 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 12738483 OUXCBNMBLSFLLF-UHFFFAOYSA-N 438.505 2.773 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCSCc2ccsc2)cc1 12917206 ZEZJCMHLILGRAL-UHFFFAOYSA-N 428.601 2.865 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccc(C(F)(F)F)c1 13001692 FAGRAIPOSPDGCZ-UHFFFAOYSA-N 434.461 2.707 0 40 IFAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 13692582 JZQOCYPWPWWMFN-UHFFFAOYSA-N 444.918 2.606 0 40 IFAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cncn2)cc1 14014837 UHOIVKXMWKCWBO-ZDUSSCGKSA-N 445.932 2.852 0 40 IFAB COc1cc2nc(NCCN3CCOCC3)n3nc(-c4ccccc4)nc3c2cc1OC 20377192 VVFWSQXWESEICV-UHFFFAOYSA-N 434.500 2.706 0 40 IFAB CCc1ccc(CN(C)C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 24993316 BXIOIYAFRCVCEO-UHFFFAOYSA-N 432.542 2.737 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC 26112148 HJKUCQKPJFGBQD-UHFFFAOYSA-N 431.558 2.573 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 30862727 MRLCBHSEQOMBHX-UHFFFAOYSA-N 437.537 2.586 0 40 IFAB O=C(c1cc(-n2cccc2)ccc1F)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 32646448 YVPNIIVYPFRKLV-UHFFFAOYSA-N 431.464 2.902 0 40 IFAB COc1ccc(OC)c2c1CN(C(=O)/C=C/c1cc(OC)c3c(c1)OCCO3)C[C@@H]2O 32902686 FEOYGBJURFZQHM-RRGWEWPQSA-N 427.453 2.573 0 40 IFAB COc1ccccc1CNC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccccc1 35485255 MEHUBOUEQWKJQN-LADGPHEKSA-N 429.520 2.883 0 40 IFAB biogenic C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 37470488 AIEOCZJJBPNJSP-SFHVURJKSA-N 427.570 2.533 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(CN3CCCCC3)c2)Oc2ccccc21 38831819 LRSVQSLMNFIUCG-JOCHJYFZSA-N 443.569 2.516 0 40 IFAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 40152721 XPWFMQPJMWZBQV-FQEVSTJZSA-N 427.545 2.599 0 40 IFAB CN1CCN(Cc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2)CC1 40158907 FLPVRVSNOXDJGG-UHFFFAOYSA-N 436.604 2.825 0 40 IFAB CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(C(C)(C)C)cc2)s/c1=C\C(=O)C(C)(C)C 40161589 ZBEOSBPHWHHZFQ-HLBVJWHLSA-N 442.625 2.958 0 40 IFAB CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 44916267 AYKGVRDFXLTEEH-NRFANRHFSA-N 432.542 2.750 0 40 IFAB COc1ccccc1NC(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O 49411508 UGZQQVYOVZAZSP-UHFFFAOYSA-N 442.472 2.968 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(CC)cc4)ncn3n2)cc1 51316939 SLTBCMNSSNTVMQ-UHFFFAOYSA-N 431.496 2.836 0 40 IFAB Cc1ccc(-c2csc3ncnc(N4CCN([C@@H]5CCS(=O)(=O)C5)CC4)c23)cc1 57509221 ARJQUUBLYFLEOL-QGZVFWFLSA-N 428.583 2.976 0 40 IFAB O=C(NCC(F)(F)F)c1nnn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)n1 71005018 DGRKSVPIIQGQNM-UHFFFAOYSA-N 442.760 2.999 0 40 IFAB O=C(NCc1ccncc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 72373021 YJPNPHRQOWUTLK-DHIUTWEWSA-N 435.549 2.672 0 40 IFAB O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)N1CCC(n2ccnc2)CC1 84539390 LQDKHABMNCGBKX-FQEVSTJZSA-N 432.546 2.651 0 40 IFAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 95946685 BOASFWLWROAXTH-INIZCTEOSA-N 440.560 2.958 0 40 IFAB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 100203936 UMWHVBTZIYRUQL-QSNWEANLSA-N 425.847 2.910 0 40 IFAB COc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)cc1 100619293 RBVSWOBLSLLPHR-RZZHVHTDSA-N 437.492 2.787 0 40 IFAB CSCC[C@@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101220866 FDELBLHJGMYLED-KSYSMWNESA-N 445.562 2.649 0 40 IFAB CCOc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 113937754 FMEZYGHEOHWPSH-UHFFFAOYSA-N 434.514 2.576 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222433432 BXXUAICZIKPPTF-IBGZPJMESA-N 445.585 2.705 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 225817239 HBDGBDSBDDJILO-UHFFFAOYSA-N 430.570 2.934 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)cc1C 257288654 PVBZASLKRBYLBH-OAQYLSRUSA-N 440.525 2.926 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NCc1cccnc1 257335022 YIJGXFYEBADQSD-HXUWFJFHSA-N 446.555 2.716 0 40 IFAB CN([C@H](C(=O)NCc1cccc(CN2CCCCC2)c1)c1ccccc1)S(C)(=O)=O 260902644 UMNCZSLKPOYJFI-QFIPXVFZSA-N 429.586 2.921 0 40 IFAB Cc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)s1 306138753 SGIIZUPYOWHMGU-QFIPXVFZSA-N 428.606 2.801 0 40 IFAB COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCC(=O)Nc1ccccc1 408916660 FUQHQNXMOXCTCV-VGOFMYFVSA-N 446.257 2.656 0 40 IFAB Cc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)cc4)C3)CC2)c1 585284946 BCXKTSQZNJMXKX-VWLOTQADSA-N 444.547 2.608 0 40 IFAB O=C(NCc1ccc2c(c1)CN(C(=O)c1n[nH]c3c1CCCC3)C2)c1n[nH]c2c1CCCC2 682593675 HOZWLTCGOHIRMI-UHFFFAOYSA-N 444.539 2.976 0 40 IFAB COc1ccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 880311 RQXDXNIDTHNEBL-UHFFFAOYSA-N 436.512 2.903 0 40 IFAB COC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)C(F)(F)F 2381231 UXZAEOXFCAKKTD-MRVPVSSYSA-N 449.017 2.680 0 40 IFAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N(CCO)CCO)cc1 3274992 WJEPUOPQWMGWIJ-UHFFFAOYSA-N 436.917 2.927 0 40 IFAB COc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc(OC)c1 8748556 MDUIGKITOMQHBN-GJZGRUSLSA-N 434.514 2.754 0 40 IFAB CSc1ncc(Cl)c(C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)n1 8868132 WOGCLNGOVQLFGQ-ZDUSSCGKSA-N 429.926 2.821 0 40 IFAB O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN=2 9034192 DHODWVJCTVYWEF-DQVIVYRFSA-N 436.496 2.688 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccccc1Cl 9185762 ZBLZOTRWAZSFLA-GTENMVSRSA-N 439.924 2.847 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c1 9435439 DJNZDBXQQASDSU-UHFFFAOYSA-N 443.544 2.879 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)c1 10131832 RJODQNPXHRIHLX-UHFFFAOYSA-N 425.441 2.583 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)c1 12230944 VOXJSXJLLQXUGU-UHFFFAOYSA-N 442.443 2.715 0 40 IFAB CCc1ccc(-n2c(-c3ccc(OC)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12413461 ZXMDWWGDKTUNOM-UHFFFAOYSA-N 429.480 2.914 0 40 IFAB CC1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 12548642 GTXHNIBSOUKSOC-UHFFFAOYSA-N 428.514 2.966 0 40 IFAB Cc1c(-c2ccccc2)sc(NC(=O)C2=NN(C)C(=O)CC2)c1C(=O)N1CCOCC1 12884676 UWOCXAAKHPDKCX-UHFFFAOYSA-N 440.525 2.743 0 40 IFAB CCc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 13505886 NHVXEKQETXQLBK-SFHVURJKSA-N 442.516 2.593 0 40 IFAB COC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)COC(C)(C)C3 13660858 BBRGJGSFIBRWKU-UHFFFAOYSA-N 434.901 2.892 0 40 IFAB O=C(Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCCC3)N1CCOCC1 13690602 VZBVCXWWGUWKON-UHFFFAOYSA-N 449.536 2.510 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]12 15957835 DDJZRHFVVWKTGI-GHCZAOPSSA-N 435.549 2.982 0 40 IFAB biogenic Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 19376192 OFVFTOOQRLSWDS-OALUTQOASA-N 429.524 2.967 0 40 IFAB COc1cccc(CC(=O)N2CCO[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19564416 XEMCHZFQMRPKSS-SANMLTNESA-N 445.519 2.625 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)c2sc(C)nc2C)nc2c1CCN(C(C)=O)C2 19708571 WUXZDXPZFCRURJ-QGZVFWFLSA-N 428.562 2.864 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CCN(C(=O)CC1=CC(C)(C)NC(C)(C)C1)C2 19710921 YLSXHWZSLJJFDT-UHFFFAOYSA-N 426.609 2.737 0 40 IFAB Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)[nH]c2c1 19765662 TVHWJSGFQRGVBA-FQEVSTJZSA-N 448.527 2.810 0 40 IFAB Cc1nc(C2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC2)ncc1C(=O)N1CCCC1 19766429 LMLDOXBQRDZCJH-UHFFFAOYSA-N 449.555 2.608 0 40 IFAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(CC(=O)NC2CCCCC2)C(C)(C)C)cc1 20097784 KAHWJVDJOBKNCE-HKBQPEDESA-N 449.617 2.758 0 40 IFAB CN1CCN(C(=O)c2cn(Cc3ccc(F)cc3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 22714636 NHUAUEUNTJVSHO-UHFFFAOYSA-N 445.498 2.714 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3c(C)c2C(=O)OC)c1 25606004 CARRTGDKVSXPRM-UHFFFAOYSA-N 428.466 2.595 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)cc1 28207354 MROUBDRGASMBHX-UHFFFAOYSA-N 434.514 2.911 0 40 IFAB NC(=O)CCn1c(SCC(=O)N2CCc3sccc3C2)nnc1-c1cccs1 28949056 BUQKSBQPKSMOHJ-UHFFFAOYSA-N 433.584 2.621 0 40 IFAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N3CCC[C@H]3C(N)=O)ccc12 32124158 SCORYBLOSLYSHT-FQEVSTJZSA-N 434.492 2.856 0 40 IFAB biogenic COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49550062 JOPXRIOXPOCWPL-QHCPKHFHSA-N 441.487 2.964 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC(CN3CCOCC3)CC2)c1 58112623 CTXFFYRYAOPPJP-UHFFFAOYSA-N 430.549 2.650 0 40 IFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccccc1I 58369836 WNJGZLLMPRFJPK-UHFFFAOYSA-N 447.250 2.728 0 40 IFAB CCOCCCC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 72280902 TWKOZQYNUHNZCB-UHFFFAOYSA-N 444.389 2.981 0 40 IFAB CCCCOC(=O)[C@H](C)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 72303209 KBMZDHOOKYIXGM-LBPRGKRZSA-N 439.306 2.673 0 40 IFAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 72348304 QJQHACNMSBUVKR-ZDUSSCGKSA-N 440.887 2.843 0 40 IFAB COc1ccccc1OCC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395596 LHZNPLPRUZSGQD-WMLDXEAASA-N 439.438 2.892 0 40 IFAB CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1C[C@H](OCC)C12CCCCC2 78874809 MLTYONIJLBDASB-MOPGFXCFSA-N 442.560 2.612 0 40 IFAB O=C(NCc1nc2ncc(Br)cc2[nH]1)[C@@H]1CCCN1C(=O)c1cccs1 78879049 DPMMLGNJHWMISA-LBPRGKRZSA-N 434.319 2.703 0 40 IFAB COc1cc2c3cnn(CC(=O)c4ccc5c(c4)OCCO5)c(=O)c3n(C)c2cc1OC 79488273 HZECETNNOAHQRA-UHFFFAOYSA-N 435.436 2.560 0 40 IFAB CCOc1ccc(OCCNC(=O)COC(=O)[C@H]2CCCCN2Cc2cccnc2)cc1 97164524 YPMFFUYCHVGRIH-JOCHJYFZSA-N 441.528 2.573 0 40 IFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]23)c(OC)c1 101224206 YGSIKGVIXXFPIC-WBVHZDCISA-N 431.242 2.759 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 223983013 FIHMCAAZLNCBKO-HNNXBMFYSA-N 440.949 2.694 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)CC1 224297962 NNNUKKLRRAMABD-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc21 224527932 WWHLSBCGVRRYFI-JOCHJYFZSA-N 445.585 2.809 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)nc2c1CN(C)CC2 257276717 NUVZEYNVGWGLBP-QGZVFWFLSA-N 426.609 2.689 0 40 IFAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)c1cccc(Cn2ccnc2)c1 257284340 PCGPTVZYLUYBPC-VWLOTQADSA-N 442.523 2.588 0 40 IFAB Cc1c(S(=O)(=O)NC[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)cnn1C 257315734 VCOASQNCSJDGJI-WKILWMFISA-N 441.557 2.628 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CCN2C)c1 257325714 WUCSDRPZLNPSQA-QHCPKHFHSA-N 435.568 2.918 0 40 IFAB Cc1ccc(-c2noc([C@H]3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)n2)cc1 257341692 ZLKZXEBIQUXPLV-INIZCTEOSA-N 427.482 2.994 0 40 IFAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@]2(CCN(Cc3ccccc3)C2)O1 306141641 WCSXLRUODRQFBH-AZGAKELHSA-N 434.584 2.796 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 408622423 NPESKSPPPDVZOP-UHFFFAOYSA-N 449.548 2.584 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1ccccc1N1CCOCC1 409201973 PIUGYSBMWJXKQD-CPNJWEJPSA-N 439.493 2.904 0 40 IFAB C[C@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2 504652429 SPDQRCUBFSRAFI-WFASDCNBSA-N 443.857 2.858 0 40 IFAB O=C(NCc1nc(-c2c(F)cccc2Cl)no1)c1c(-n2cnnn2)sc2c1CCC2 524733557 VQJUJIBGMQDSJW-UHFFFAOYSA-N 445.867 2.985 0 40 IFAB O=C(NC[C@H]1CCCCN1CCO)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 622630806 ZORMVSZJHBGPPH-GFCCVEGCSA-N 431.846 2.516 0 40 IFAB COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12 1965867476 VNSQFPFWUAZOTQ-UHFFFAOYSA-N 444.469 2.899 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3477363 XTDCVQWUGPGGSQ-UHFFFAOYSA-N 442.493 2.502 0 40 IFAB COc1cc(C(=O)OCC(=O)NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl 3482983 SCSZOFMQJPNXPO-UHFFFAOYSA-N 427.240 2.933 0 40 IFAB CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 8308401 AUIKZJRXQLYXMR-UHFFFAOYSA-N 427.570 2.778 0 40 IFAB C[C@]1(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CCS(=O)(=O)C1 8862529 AQFDSRQBWQQCAF-FQEVSTJZSA-N 445.570 2.547 0 40 IFAB COc1ccc2c(C)c(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(=O)oc2c1C 8877183 SVIHOCZSGOJFBC-SJORKVTESA-N 434.492 2.769 0 40 IFAB biogenic O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccncc1 9419076 ZARHCOPYCMALAL-IBGZPJMESA-N 439.903 2.776 0 40 IFAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2cc(S(N)(=O)=O)ccc21 9467049 GTRPEOFDOSWDNY-GFCCVEGCSA-N 434.543 2.832 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 9578986 DTBQAFMRVQZPHN-XMMPIXPASA-N 429.480 2.821 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 10371483 WGECSOLGAIWAIB-KRWDZBQOSA-N 434.558 2.834 0 40 IFAB O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 10516850 RXTKJRFGXOSSHM-HNNXBMFYSA-N 431.518 2.517 0 40 IFAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)N[C@H](C)C(=O)O)ccc2c1=O 11866024 BTXUVJQGXORQMY-GFCCVEGCSA-N 427.409 2.870 0 40 IFAB biogenic CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)c1 12753788 PZCFZNBECZWXJA-QFIPXVFZSA-N 426.538 2.842 0 40 IFAB CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12786630 KTOPAPYDHNDMBI-OAHLLOKOSA-N 442.516 2.540 0 40 IFAB C[C@@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12794251 RQHUWHYBCOIQPQ-GFCCVEGCSA-N 426.491 2.526 0 40 IFAB CCOC(=O)N1CCC[C@@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)C1 12809516 FXRGJBXCLOWBAW-CYBMUJFWSA-N 426.311 2.681 0 40 IFAB NS(=O)(=O)c1ccc(CCNC[C@@H](O)COC(c2ccccc2)c2ccccc2)cc1 12895244 VHEOGTFRDJZPJM-JOCHJYFZSA-N 440.565 2.633 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 13082923 YQUFSHYCEGVTIO-IRXDYDNUSA-N 430.574 2.777 0 40 IFAB CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)c(OCCC)c1 13134511 NXNMQNTYJCQUHE-KRWDZBQOSA-N 429.473 2.645 0 40 IFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 13792467 BMAOKSMUJIOJTE-OAHLLOKOSA-N 433.511 2.669 0 40 IFAB CCC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 15506132 ZOORSAIISUSPPR-NYHFZMIOSA-N 432.423 2.764 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c(OC)c1 16215511 WECIFRUVHBDIEY-UHFFFAOYSA-N 430.482 2.809 0 40 IFAB CN(C)C(=S)/N=c1\ss/c(=N\S(=O)(=O)c2ccccc2)n1-c1ccccc1 18060666 DDYHZFMYFSEZGK-YGGBKCGDSA-N 436.609 2.637 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)CC1 19016728 CRFZFFQBPYRCEG-HXUWFJFHSA-N 436.560 2.569 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 19211900 SBFGQAHKMLGSQZ-GOSISDBHSA-N 444.553 2.632 0 40 IFAB Cn1ncc2c1CCc1sc(N(C[C@H]3CCCO3)C(=O)c3c(Cl)cnn3C)nc1-2 19289572 IYNOGOWQTDOUJB-LLVKDONJSA-N 432.937 2.855 0 40 IFAB O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N(Cc1ccccn1)C1CC1 19401371 UELLQTSGOHKLIC-UHFFFAOYSA-N 435.572 2.735 0 40 IFAB O=C1CCOC[C@]2(CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2cccnc2)N1 19402006 ORGPKIYPLQBYRW-AHWVRZQESA-N 444.535 2.930 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 19449053 XAFSMKHRVVTISY-CYFREDJKSA-N 439.581 2.980 0 40 IFAB COc1ccc(CN2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)c(OC)c1 19552517 UZZYUXIIPOOEEZ-MBSDFSHPSA-N 432.467 2.857 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)Cn1nc2n(Cc3ccc(F)cc3)c3ccccc3n2c1=O 19577828 CFTKSFNONVDIPQ-UHFFFAOYSA-N 447.474 2.627 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)CCc2ccccc2OC)nc2c1CN(C(C)=O)CC2 19710829 BCUZPBLJAVYBQH-HXUWFJFHSA-N 437.544 2.728 0 40 IFAB COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(C(=O)CC2CCCC2)CC1 19743558 QHSXZZFYDMKJBR-UHFFFAOYSA-N 427.549 2.587 0 40 IFAB COc1ccc(CCn2nnnc2[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1OC 20142401 AWCBZBMKFVEGPQ-QHCPKHFHSA-N 436.560 2.578 0 40 IFAB COc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC 21670241 FWYHFYITVBULFA-RPWUZVMVSA-N 440.540 2.661 0 40 IFAB COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(C(=O)c3ccco3)CC2)cc1 22609493 YEEPXPINVKKCGW-KRWDZBQOSA-N 439.497 2.645 0 40 IFAB COc1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)ccc1OC(F)F 23923258 IBKGXDLZFPBZCV-SFHVURJKSA-N 442.484 2.916 0 40 IFAB CN1CCN(c2ccc(CNC(=O)N3CCN(c4cccc(Cl)c4)CC3)cn2)CC1 26284753 CGYGJYQDRBNVHK-UHFFFAOYSA-N 428.968 2.519 0 40 IFAB CCOc1ccc(N(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 30872909 SCDUQOZYMVLHEH-UHFFFAOYSA-N 436.530 2.527 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(OC)c(OC)cc3C)C2=O)cc1 34846142 JITBJLJTAZCLKO-YVLHZVERSA-N 425.441 2.552 0 40 IFAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 40058459 ZAJHTRBNTDVFRS-UHFFFAOYSA-N 438.527 2.669 0 40 IFAB COc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c(OC)c1OC 40081453 FHJZYMWNCRBJJR-FQEVSTJZSA-N 427.545 2.821 0 40 IFAB C[C@]1(c2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)NC(=O)NC1=O 40111145 FQPOZEXBEMIQRG-OAQYLSRUSA-N 426.860 2.774 0 40 IFAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44852699 MVFZNYDLDZAWRR-IFXJQAMLSA-N 438.933 2.759 0 40 IFAB CN1CCCN(c2ccc(CNC(=O)CCc3nc(-c4ccc(F)cc4)no3)cn2)CC1 48287320 PHXBVKXFZITXNG-UHFFFAOYSA-N 438.507 2.662 0 40 IFAB COc1ccccc1N1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 57293247 NRFBMZKVGCAWRC-FQEVSTJZSA-N 437.540 2.952 0 40 IFAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O 58179884 DTAAFQOTRZHZDO-LJQANCHMSA-N 435.527 2.954 0 40 IFAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 58982837 LPGLDRJEMUPJMJ-UHFFFAOYSA-N 440.475 2.863 0 40 IFAB COc1cccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c1 67255656 QRQHOEYRUZAQDF-UHFFFAOYSA-N 449.536 2.984 0 40 IFAB COc1cccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2ccncc2)c1 67261763 WLRAOEAIAVYQAB-UHFFFAOYSA-N 429.436 2.997 0 40 IFAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 72191683 QBJXCLAVMIDPJF-GFCCVEGCSA-N 446.558 2.985 0 40 IFAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)Cc4nonc4C)CC3)C1)c1cccn1-2 72327317 PTLZWLQODXGSCR-XMMPIXPASA-N 449.511 2.822 0 40 IFAB COc1ccccc1CCN1CCCc2c(C)nc([C@H]3CCCN3S(C)(=O)=O)nc21 72373809 WGNTXYSIPYDXGQ-LJQANCHMSA-N 430.574 2.885 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(Cc2cccc(F)c2)C2CC2)C1=O 84668175 RQTFXKSOOGBHBC-XMMPIXPASA-N 438.503 2.765 0 40 IFAB CCN(CC)[C@@H](CNC(=O)CN1CCC(NC(=O)c2ccsc2)CC1)c1ccco1 89967784 ZPMPRVIVAKMKEW-IBGZPJMESA-N 432.590 2.735 0 40 IFAB CCN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(C(=O)c1cccc(Cl)c1)CC2 96143622 ZJTAAXQOUHZTJK-RBUKOAKNSA-N 439.947 2.720 0 40 IFAB CN1CCN(c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)CC1 113958658 IHUTYVWXHFEZME-UHFFFAOYSA-N 442.585 2.616 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)CCCN(C)S(=O)(=O)c3ccccc3)n2)c1 219728673 KOAKYVSJALTUOP-UHFFFAOYSA-N 428.514 2.762 0 40 IFAB COc1ccc(N(CCCC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 222605228 ZRNGBRXCFRISOC-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 223146558 RWSNSOMFFIBQIG-SFHVURJKSA-N 448.932 2.981 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)cc1C(=O)NC(C)C 223882587 YFGKTZIQSSNCCS-UHFFFAOYSA-N 436.530 2.671 0 40 IFAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1Cl 224152565 GKDZVYCWORYTSR-UHFFFAOYSA-N 425.938 2.700 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224276971 MCWUROJRENNKRQ-UHFFFAOYSA-N 439.541 2.921 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)s2)cc1 224647556 XQVWNOKBKYKIBP-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB COc1cccc([C@]2(O)CCC[C@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@H]32)c1 248064834 VTFDMEDNNCDSHC-JNAXZKDPSA-N 439.965 2.699 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 252552883 VDWUPCCVBDWAOX-UHFFFAOYSA-N 448.495 2.791 0 40 IFAB Cc1nonc1CNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(Cn2ccnc2C)cc1 257216416 CULLXVPCMUZFLD-QHCPKHFHSA-N 436.516 2.632 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CCc3[nH]nc4c3CCCC4)C2)nc2c1CC(=O)N2CC1CC1 257304189 SKKXDXYKWPHYHD-QGZVFWFLSA-N 448.571 2.635 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 260897538 MWHIYFDFDRCVHQ-CYBMUJFWSA-N 449.554 2.792 0 40 IFAB CCOCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 306138615 SCFYLOSIUIALPW-AVRDEDQJSA-N 445.589 2.610 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408662803 POEMEBQZOKKCGM-LUCFSVCOSA-N 426.513 2.841 0 40 IFAB COc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 409334741 XLMZYEFREGUAAM-UHFFFAOYSA-N 438.521 2.961 0 40 IFAB Cc1cc(C)c(CNC(=O)c2cccc(C(=O)NCc3c(C)cc(C)nc3O)c2)c(O)n1 539350096 DYOICGHCQHNIHS-UHFFFAOYSA-N 434.496 2.981 0 40 IFAB COc1ccc(OCCN(C)C(=O)[C@H]2CN(C)C[C@@H]2c2cccc(CNC(C)=O)c2)cc1 2037834527 NLPPNFJJQQFWMV-RPWUZVMVSA-N 439.556 2.514 0 40 IFAB CCOC(=O)[C@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 2317089 VNNZLGIBHWIYBJ-XDNAFOTISA-N 443.297 2.831 0 40 IFAB CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)cc1 6144558 SBZJBPXFHMSRBZ-NRFANRHFSA-N 434.500 2.924 0 40 IFAB COc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c1OC 6287937 JIARZNFBKLVMCC-UHFFFAOYSA-N 444.557 2.591 0 40 IFAB CCCCn1c(N)c(N(C)C(=O)Cc2csc(-c3ccc(C)cc3C)n2)c(=O)[nH]c1=O 8772603 WVIAJJFKWGOTQW-UHFFFAOYSA-N 441.557 2.865 0 40 IFAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 8882839 CIDCRIMIHOEDLH-SJORKVTESA-N 429.542 2.641 0 40 IFAB COc1ccc(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)cc1S(=O)(=O)N(C)C 9076824 DKIDRPRSKMAEIE-OAQYLSRUSA-N 449.598 2.955 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 9095296 DUYAERIVJFYMDU-UHFFFAOYSA-N 440.525 2.762 0 40 IFAB COc1ccc(Cn2c(C)cn3c4c(=O)n(CCc5ccccc5)c(=O)n(C)c4nc23)cc1 9187450 YZRWTTGSEVITBC-UHFFFAOYSA-N 443.507 2.757 0 40 IFAB C[C@@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9264030 XRSYWBVUSKVTIW-CYBMUJFWSA-N 439.497 2.844 0 40 IFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1nnc(-c2ccc(Cl)cc2)o1 9550986 DSAUFGWEZYHSNY-UHFFFAOYSA-N 446.872 2.562 0 40 IFAB CCN(Cc1nc(-c2ccc(OC)cc2)no1)S(=O)(=O)c1ccc(NC(C)=O)cc1 9582106 DKOSSBSXRPVBPW-UHFFFAOYSA-N 430.486 2.914 0 40 IFAB COc1cc(NCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)cc1Cl 9632029 RNBMHWIDGHGHEC-UHFFFAOYSA-N 427.910 2.658 0 40 IFAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccccc1Cn1cncn1)c1ccccc1O2 12086477 ZIHCBGWUKNCZRB-OFVILXPXSA-N 445.523 2.961 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1cc(Br)ccc1-n1cnnn1)CC2 12321557 WWCLMVRWQJLPLB-UHFFFAOYSA-N 444.289 2.641 0 40 IFAB COc1ccccc1N1CCN(CC[C@H]2CN(C(=O)C3CC3)CC[C@H]2CC(=O)O)CC1 12481499 RDHGPTKNHUQXJR-PMACEKPBSA-N 429.561 2.557 0 40 IFAB biogenic,in-vitro O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 12729479 XZYNGUWINVDRAD-CYBMUJFWSA-N 434.905 2.926 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1C 13009364 PUJPWIFGPANFRD-UHFFFAOYSA-N 440.573 2.715 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 13132048 AKXPRWSBNYSFFI-UHFFFAOYSA-N 430.555 2.697 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 14264537 NUNDICPKNMKUCO-UHFFFAOYSA-N 433.917 2.934 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1 15187296 QQPMLIYROZDIFQ-OAHLLOKOSA-N 445.570 2.945 0 40 IFAB COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1OC 16851266 VAMRVEOXSPMXAE-UHFFFAOYSA-N 428.470 2.672 0 40 IFAB O=C1O[C@H](C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)Cc2ccccc21 19375163 UUBMPGMLLPAOJU-INIZCTEOSA-N 445.401 2.631 0 40 IFAB C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19463431 DBZUUQWHTJEADB-XAUMDUMWSA-N 426.561 2.945 0 40 IFAB CCN1CCN([C@H](c2cc3c(C)ccc(C)c3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527911 VDPCWZLSNJILII-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB COc1ccc(CN(Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)c(OC)c1 19552162 IRRPSIAGBNSVPY-OAQYLSRUSA-N 428.533 2.512 0 40 IFAB Cc1ccccc1OCCC(=O)N1CCO[C@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1 19693423 PPEXOBBLINSYHP-NRFANRHFSA-N 446.507 2.920 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)c2c(OC)cccc2OC)nc2c1CCN(C)C2 19708439 ZPQDMSSZPNHBBY-KRWDZBQOSA-N 425.533 2.891 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CN3CCC(c4ccccc4)CC3)C2)nc2c1CCC(=O)N2C 19738790 RABNYKUOUKJRCF-NRFANRHFSA-N 447.583 2.890 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CC1)C(=O)C2 19739600 TZJAWQNDMXNXKA-IBGZPJMESA-N 449.555 2.767 0 40 IFAB CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1 19760473 FNROXJLWXLYIPC-FQEVSTJZSA-N 442.995 2.711 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSC1CCCCC1 20061557 OAAJRPHIBRKLGP-UHFFFAOYSA-N 426.604 2.812 0 40 IFAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)cc1 20456756 QJJISMRLXCSYBO-BEFAXECRSA-N 448.541 2.888 0 40 IFAB O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 20456982 DNJVYUBDSNWLAU-UHFFFAOYSA-N 431.533 2.714 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 21323353 DBZUJDHCQLESNS-INIZCTEOSA-N 426.560 2.726 0 40 IFAB Cc1cc(N2CCN(C(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)nc(C(C)C)n1 24219436 YEAFNZMFKFFACY-UHFFFAOYSA-N 425.533 2.702 0 40 IFAB CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 24885791 ALQLTTDEBYIKFE-UHFFFAOYSA-N 439.449 2.700 0 40 IFAB COc1ccc(OCCNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1 25263364 USMBRQSDWBOFMR-KRWDZBQOSA-N 436.306 2.752 0 40 IFAB COc1ccc(C(=O)N[C@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1 29682574 NLWCPMMUPHADMW-QFIPXVFZSA-N 437.540 2.871 0 40 IFAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@H]2CCCN(c3cnccn3)C2)CC1 29886828 AYCWUPSBBNPOIN-FQEVSTJZSA-N 429.524 2.831 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc(Br)ccc1N1CCOCC1 32716937 XBRAFHMIAUECEE-UHFFFAOYSA-N 443.301 2.634 0 40 IFAB O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)NC1CC1 33402116 VZLBJLFDDXFMDY-HXUWFJFHSA-N 439.899 2.984 0 40 IFAB CC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 35518785 LISJCPBBCNYQPT-UHFFFAOYSA-N 443.569 2.958 0 40 IFAB COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 36597111 KFAIVIJYKNHWBC-YADHBBJMSA-N 428.554 2.833 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 40120050 YRQOHYOZADKXLU-CVEARBPZSA-N 426.435 2.856 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1OC 40162377 RGBWBNCSICHOME-LBPRGKRZSA-N 428.457 2.528 0 40 IFAB CCN1CCN(C(=O)c2nnc3c(-c4cccc(Cl)c4)c(COC)nn3c2C)CC1 40385231 YQKZPDUYPMHCTF-UHFFFAOYSA-N 428.924 2.677 0 40 IFAB CC[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856896 GMWGFYDAMZESPY-UZLBHIALSA-N 448.541 2.888 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)ccc21 44892331 PGPYBXNPQYZSMD-UHFFFAOYSA-N 443.912 2.769 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 48286347 AGKHMJSRVDKRHV-HUUCEWRRSA-N 428.510 2.532 0 40 IFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N(Cc1cccnc1)C[C@H]1CCCO1 58265357 NKBCEBZYZKAIFC-HXUWFJFHSA-N 430.530 2.835 0 40 IFAB Cc1ccc(C)c2sc(N(C)CC(=O)NCCn3nc(-c4ccco4)ccc3=O)nc12 70973984 ROZIAJWQOSCVMO-UHFFFAOYSA-N 437.525 2.982 0 40 IFAB CCOc1ccc(CC(=O)Nc2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)cc1 71003063 RKYWOVRFJWLNIY-UHFFFAOYSA-N 434.500 2.915 0 40 IFAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 72191685 QBJXCLAVMIDPJF-LBPRGKRZSA-N 446.558 2.985 0 40 IFAB O=C(CCc1nc(-c2cccc(F)c2)no1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 72332123 UUJPKNHCGXBBTM-UHFFFAOYSA-N 438.459 2.881 0 40 IFAB Cc1cc(OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c2c(C)c(C)c(=O)oc2c1 72400317 ZKHYCOUAGHYZRV-QGZVFWFLSA-N 435.542 2.769 0 40 IFAB O=C(NC1(C(=O)O)CCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 95349603 WWAKNMGNSVUMGG-UHFFFAOYSA-N 448.463 2.620 0 40 IFAB CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c1 95399522 OJBZUOMBHSYDSV-OAQYLSRUSA-N 431.558 2.975 0 40 IFAB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 101487395 HJLLEAXAUCBGJM-NEYJZJCJSA-N 433.508 2.682 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1 223630085 PQZOMUWILMNDKR-UHFFFAOYSA-N 432.483 2.671 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCc2ccccc2C1 225586811 NNZGEZYTLHNLCM-UHFFFAOYSA-N 428.554 2.997 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 226082175 YANUVYGIXLULGI-QGZVFWFLSA-N 448.516 2.971 0 40 IFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1 247999299 CNJZDKGJBSXVDW-PIPMEXSNSA-N 429.542 2.977 0 40 IFAB CCc1ccccc1NC(=O)CN1[C@H](C(=O)N(C)C)C[C@H](NC(C)=O)[C@@H]1c1ccccc1 257209321 BPXCUWMFCZGEHH-FIXSFTCYSA-N 436.556 2.596 0 40 IFAB COc1ccc2nc(C)c(C(=O)N3CCC[C@H](CC(=O)NCc4nonc4C)C3)cc2c1 257304434 SLQISHGTBVIOAD-MRXNPFEDSA-N 437.500 2.802 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 408559146 LMVASJDJADYTJG-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB COc1ccc(CNC(=O)CC2(N3Cc4ccccc4C3=O)CCN(C(C)=O)CC2)cc1 1548348863 UHUUZFYIMASHEC-UHFFFAOYSA-N 435.524 2.739 0 40 IFAB COc1ccc(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1OC 3314205 NLIJLSIIYDVJOZ-UHFFFAOYSA-N 433.258 2.760 0 40 IFAB CC(C)CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433744 ZSHCIMBQCRBERU-UHFFFAOYSA-N 444.553 2.753 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc(C(=O)OCCOC)c1C 7486481 GOHAIGRQRCKSGY-CYBMUJFWSA-N 426.535 2.849 0 40 IFAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1C 8133059 ABKNJUYHOXECBU-NPMXOYFQSA-N 425.485 2.725 0 40 IFAB COc1ccc(-c2nnn(C3CCN(CC(=O)Nc4ccccc4C)CC3)n2)cc1OC 8694525 UPDRUPIOJCLRNT-UHFFFAOYSA-N 436.516 2.941 0 40 IFAB COc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 8764228 OLYGZIYTNKSSRD-NRFANRHFSA-N 434.496 2.736 0 40 IFAB biogenic COc1ccccc1C(=O)NC(=O)COC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 8825171 BMMRUPIVXKJWCU-OAHLLOKOSA-N 444.509 2.564 0 40 IFAB COc1cc(C(=O)NC(=S)NN2CCCC[C@@H]2c2cccnc2)cc(OC)c1OC 8964868 WVURGXTYETZXEO-MRXNPFEDSA-N 430.530 2.854 0 40 IFAB biogenic CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1 9095632 VGIQLEDYAWJERS-KRWDZBQOSA-N 435.590 2.909 0 40 IFAB O=C(CNc1cccc2c1CCCC2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9220938 PEEZFBYCZRDFPF-UHFFFAOYSA-N 429.542 2.637 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 9302620 YPEQOEBOCSTMRV-NVQRDWNXSA-N 435.358 2.807 0 40 IFAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)CN3C(=O)NC(C)(C)C3=O)n2)cc1 9388200 HYSCPQMSGNSXSH-GFCCVEGCSA-N 444.513 2.573 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)ccc21 9457174 YSGPQFQWNJAZPY-UHFFFAOYSA-N 432.402 2.853 0 40 IFAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(OC(F)(F)F)cc1 9585940 XZKQDPLVMZYKMP-UHFFFAOYSA-N 435.358 2.936 0 40 IFAB COc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1S(=O)(=O)N1CCCC1 9885405 ZIRMMYSTOYEMQI-UHFFFAOYSA-N 442.541 2.650 0 40 IFAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)[C@@H](C)Oc2ccccc2)c1=O 12072147 VSYKUDGNCQUXGT-GOSISDBHSA-N 431.496 2.533 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 12346060 VWQAUHBUBNHTKG-MBOBHEEDSA-N 449.529 2.668 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC 12977171 DSBPNPZJZFTGEE-UHFFFAOYSA-N 448.419 2.910 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 13009901 ZRSYBZDIGRAQGX-QFIPXVFZSA-N 425.529 2.777 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 13059371 ZHWNLLZUDUQLGW-QZMUEMGWSA-N 442.537 2.622 0 40 IFAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc3C2)n1C 13567151 XMVHLRAUQGFUMN-INIZCTEOSA-N 435.553 2.983 0 40 IFAB Cc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)c(C)c1 19132348 FJFXDKFSHDVCJC-UHFFFAOYSA-N 433.443 2.628 0 40 IFAB C/C(Cl)=C/CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CNC(=O)c1cc(C)ccc1O2 19218949 KBTCWDVZXBTSNL-YJHXAGEMSA-N 433.936 2.516 0 40 IFAB COCCn1c(C(=O)N2CC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc2cc(Cl)ccc21 19758099 MQBAGABVCVCILT-CQSZACIVSA-N 441.919 2.768 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N1CCC2(CC1)OCCO2 24995339 ICVIROVCNVFAEK-UHFFFAOYSA-N 434.489 2.914 0 40 IFAB O=C(NCCN1CCCCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 26111777 KIBXGFBINFPTMH-UHFFFAOYSA-N 435.634 2.653 0 40 IFAB CON(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 26319407 MGGFECLONVEZKN-UHFFFAOYSA-N 425.315 2.976 0 40 IFAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(c4ccccc4)CC3)c[nH]c2c1 32094055 NLRHFKKDRLTNPR-UPWIVDSGSA-N 448.479 2.695 0 40 IFAB COc1ccc(OC)c(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640632 TZNGTVVTXIPPPM-MJGOQNOKSA-N 448.566 2.858 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1=O 32842855 KRQOGLBZMYLNQS-GFCCVEGCSA-N 439.493 2.721 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N4[C@H](c5ccco5)CC(=O)[C@H](C)[C@H]4[C@]34C=C[C@H]2O4)c1 35485214 SOLPERFSTZHDQZ-APDQEVJASA-N 448.475 2.728 0 40 IFAB biogenic CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)CCc2ccco2)C1 72335817 HXBGHSMQBHIVEI-KRWDZBQOSA-N 440.525 2.874 0 40 IFAB Cc1nn([C@H](C)CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338885 JZLBQYJTFKADCW-PEBXRYMYSA-N 445.589 2.728 0 40 IFAB C[C@@H](NC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 79101608 SKAGQQABWAUZJB-SNVBAGLBSA-N 429.308 2.882 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 95392682 DHSGMPNDCBZQGU-UHFFFAOYSA-N 427.448 2.894 0 40 IFAB CCOC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 95966974 DAQFZFVIPLOPEJ-GJZGRUSLSA-N 435.498 2.724 0 40 IFAB O=C(O)CCCCCCCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 95991955 XQOGDTWWRJSLNE-UHFFFAOYSA-N 434.352 2.905 0 40 IFAB CN1CCCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2S(C)(=O)=O)CC1 96146473 UDCHZTFLMBCNHX-UHFFFAOYSA-N 428.558 2.591 0 40 IFAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cc(=O)[nH]c4ccccc34)ccc2NC1=O 96221165 YUWYAMNPLZTYIQ-SFHVURJKSA-N 436.493 2.584 0 40 IFAB biogenic C[C@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2n1C 96232640 LMWWBGYZYWTBMN-NSHDSACASA-N 426.278 2.803 0 40 IFAB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H]1O[C@]13[C@@]1(C)CC[C@H](O)C[C@]14C=C[C@]23[C@@H](C(=O)O)[C@H]4C(=O)O 118936448 CPYNMESYXQPXTD-LRLZDYPESA-N 444.524 2.658 0 40 IFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC 206805440 VOQOJYNVSFIOQW-UKRRQHHQSA-N 443.880 2.871 0 40 IFAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)nc1 223129764 UWBMUORHGXIMDY-DHIUTWEWSA-N 448.596 2.880 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccccc1Cl 223836189 LDYPLZFRSJOPTF-CQSZACIVSA-N 426.922 2.698 0 40 IFAB COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 223889070 KMAYMJNNIIPOPW-NSHDSACASA-N 431.919 2.570 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1C(=O)N1CCOCC1 223893465 NNQGUKVKNIRUEI-UHFFFAOYSA-N 438.546 2.841 0 40 IFAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 224514285 XQKBLTXEYVBFLW-UHFFFAOYSA-N 434.543 2.608 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 224723737 LEXYMADXXIKAGP-OAHLLOKOSA-N 436.530 2.664 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1F 224879905 NPNJNRXHSZAMGR-UHFFFAOYSA-N 435.399 2.976 0 40 IFAB COC(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 225205397 CMFHVYYXNFQODE-UHFFFAOYSA-N 446.525 2.838 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225492748 YGMOLFJNOARDNC-UHFFFAOYSA-N 444.488 2.593 0 40 IFAB Cc1c(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)nnn1-c1ccc(F)cc1 238858385 KFXXGRSGSBZDGI-UHFFFAOYSA-N 438.850 2.575 0 40 IFAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C[C@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 253596727 VJXFDZRSUUSAGA-SQALRPFBSA-N 439.556 2.849 0 40 IFAB C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4cnc5c(c4)c(O)nc(=O)n5C)cc3)ccc2O1 533863274 HWFDCGZSIZEDJW-AWEZNQCLSA-N 442.475 2.955 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(CC3(O)CCN(c4cccc(C)c4)CC3)CC2)C1 585262885 NXRSRVBUIBTCLY-HSZRJFAPSA-N 429.605 2.818 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 680530412 VPVLVVQDSPUQFS-WDQYXFPCSA-N 437.399 2.941 0 40 IFAB O=C(c1ccc(N2CCOCC2)cc1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888904046 BWLWTXUNIAIOMD-MBSDFSHPSA-N 426.492 2.774 0 40 IFAB COCCNC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2306881 MBVHPKPVSRYGTI-UHFFFAOYSA-N 449.511 2.803 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NCc1cccs1 3248276 UHXIWZTVQYYHBQ-UHFFFAOYSA-N 444.534 2.700 0 40 IFAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3438584 OCVMQZYRMSKZSH-UHFFFAOYSA-N 438.933 2.512 0 40 IFAB O=C1Nc2ccc(Br)cc2C(=O)N2CCN(C(=O)c3cccc(F)c3)C[C@H]12 4235922 RMOJBBKPEQDFRT-MRXNPFEDSA-N 432.249 2.507 0 40 IFAB biogenic,in-vitro O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 8894805 CPZJSSLSSILIIS-SFHVURJKSA-N 443.550 2.973 0 40 IFAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccc(C)cc2)cc1 9088024 NWKWUKGUXYOYSF-UHFFFAOYSA-N 429.480 2.719 0 40 IFAB NC(=O)[C@H]1CN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)c2ccccc2O1 9126794 UGEGDHDUDUBBTJ-JOCHJYFZSA-N 442.475 2.895 0 40 IFAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9134702 CZBFUZQHLXMHKJ-INIZCTEOSA-N 430.555 2.751 0 40 IFAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 9281620 QEUPTPZJSWSARO-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 9525819 IBJOCENCVNCCSU-UHFFFAOYSA-N 432.498 2.608 0 40 IFAB Cc1cc(C(=O)Cn2c(=O)c(F)cn([C@H]3CCCO3)c2=O)c(C)n1Cc1cccs1 9548862 FQUQKXMHXWYEDN-LJQANCHMSA-N 431.489 2.869 0 40 IFAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1OC 9833237 PWOBWFHKKKSBMV-CPUCHLNUSA-N 430.404 2.869 0 40 IFAB COC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 10382155 MFLINDRBUYWBND-KRWDZBQOSA-N 426.450 2.749 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 11657138 SFWRZHBRNIEIRW-UHFFFAOYSA-N 431.514 2.693 0 40 IFAB COc1cc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)ccc1OC(C)C 11770717 GUUJJYWUBHQUIE-QGZVFWFLSA-N 429.469 2.938 0 40 IFAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1ccccc1O2 12086475 ZIHCBGWUKNCZRB-BWKNWUBXSA-N 445.523 2.961 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C(=O)Nc1ccccc1 12389099 VDEJMRNGFQHAEX-JKSUJKDBSA-N 449.960 2.884 0 40 IFAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 12506218 OPYDBWUUAXHTSI-UHFFFAOYSA-N 442.541 2.567 0 40 IFAB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)CC1 12513002 OEDUFXVBDXHRJA-INIZCTEOSA-N 447.557 2.972 0 40 IFAB COc1cc(C(=O)NCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC 12519983 TZSGFYFBHZLCHV-HNNXBMFYSA-N 438.484 2.505 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCS[C@H]1c1ccccc1F 12617674 OXMKGRITRZTHMO-QFIPXVFZSA-N 435.484 2.996 0 40 IFAB CCOc1cc2c(cc1CNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)O[C@H](C)C2 12792833 WXHYZPOYMHUOGD-CQSZACIVSA-N 432.542 2.864 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1OC 13008958 CPFSBVCMCKUCSB-UHFFFAOYSA-N 436.516 2.567 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 13128472 ANKMKXVBFXFMTP-KRWDZBQOSA-N 443.525 2.523 0 40 IFAB COC(=O)c1sc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c(C(=O)OC)c1C 13140927 TWRTUICAPZRGNE-UHFFFAOYSA-N 441.483 2.592 0 40 IFAB COCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 13681037 HJLLEAXAUCBGJM-DCXXXQMHSA-N 433.508 2.682 0 40 IFAB C[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(=O)oc2ccccc21 14308967 KFMVYOXDSCHBLB-MRXNPFEDSA-N 443.525 2.647 0 40 IFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 17723641 KCZSYVAXHVWOSI-QLFBSQMISA-N 434.566 2.728 0 40 IFAB CN1C[C@@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)CC2)CC1=O 19084086 IKPZCXOWSLULST-HRCADAONSA-N 437.535 2.888 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1 19123125 SIUASVQPKWOEFB-UHFFFAOYSA-N 434.500 2.691 0 40 IFAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1 19221942 RDVJMIQJPVMQAV-KNQAVFIVSA-N 433.560 2.808 0 40 IFAB CC(C)N1C[C@@H](C(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)CC1=O 19447682 KRQVXQLGDVTAKW-HNNXBMFYSA-N 446.433 2.683 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)cn1 19525009 UXIZOLISURBHEU-LALPHHSUSA-N 432.472 2.585 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CCn3ccnc3-c3ccccc3)C2)nc2c1CCC(=O)N2C 19738788 CZIAXYMFRAGNBG-IBGZPJMESA-N 444.539 2.964 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 20557906 HVOPZDLMLSYOCR-QFIPXVFZSA-N 444.551 2.947 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2cc(C(=O)OCC)c(=O)c3ccc(C)nc32)cc1 20986468 SOZCIDYKEXACIC-UHFFFAOYSA-N 437.452 2.697 0 40 IFAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 24356170 AUEQQURYTCLYCY-UHFFFAOYSA-N 433.511 2.605 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 25371281 OOXJBEISPTUJAU-UHFFFAOYSA-N 438.546 2.893 0 40 IFAB COc1ccc([C@H](CC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)NC(C)=O)cc1 28138440 SMNIPFKTKNWWFC-SFHVURJKSA-N 429.860 2.667 0 40 IFAB O=C1CN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)C2(CCCCC2)C(=O)N1 32830207 OHGUBMRUFZCUEK-UHFFFAOYSA-N 445.570 2.622 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)cc(C(=O)OC)c1 32913001 AHLXMDJRAQLUIE-GFCCVEGCSA-N 432.864 2.558 0 40 IFAB Cn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cnc2n(C)c1=O 40043039 VBQSNAADKPRDDB-KRWDZBQOSA-N 438.534 2.543 0 40 IFAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)N(C)c2ccccc2)c1=O 67205519 BMUSNRPPHWBUDY-UHFFFAOYSA-N 435.505 2.945 0 40 IFAB O=C(Nc1ccc(-c2noc(O)n2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 69951028 KGCXGCCCOJKHON-CQSZACIVSA-N 446.460 2.621 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 95369482 KKDMISMDIBDVSH-JCGIZDLHSA-N 448.361 2.567 0 40 IFAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)OCC(F)(F)F)nc1 95440771 NJFVQRIQPKYNGU-NXEZZACHSA-N 431.333 2.918 0 40 IFAB CSCC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1nnc2ccccn12 96118353 KLVHARQYJQNEIV-KRWDZBQOSA-N 436.541 2.899 0 40 IFAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206903648 JQRNZEMVSDXSSI-UHFFFAOYSA-N 439.523 2.928 0 40 IFAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)c(OC)c1 219992118 COVXBXJLUCZKQI-IBGZPJMESA-N 448.541 2.606 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224642626 UVYHEVOICMUKMC-IBGZPJMESA-N 445.585 2.705 0 40 IFAB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccc(F)cc1)S(C)(=O)=O 225048793 VWKUJFAEIFEIPL-OAHLLOKOSA-N 437.518 2.922 0 40 IFAB COc1ccc([C@]2(O)CCC[C@@H]3CN(C(=O)Cn4ncc5ccccc5c4=O)C[C@H]32)cc1 248244672 LEMNJADUNOAKCR-YBGOQADZSA-N 433.508 2.551 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 253373997 KWHQIRAETNQNAD-ANWNFGLHSA-N 438.572 2.978 0 40 IFAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257226229 FJSBTXZVXCYBEJ-OAQYLSRUSA-N 445.470 2.575 0 40 IFAB COc1ccccc1CN(C)CC(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 257287520 PQHYBEDPLZQUEW-QFIPXVFZSA-N 448.527 2.656 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)c1 260805396 CHISVRKABSBLTB-CABCVRRESA-N 436.530 2.744 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408655053 HGUQPSVRNOUENC-QPOHIBMRSA-N 442.512 2.623 0 40 IFAB CCn1cc(CC(=O)Nc2cccc3c2C[C@H](C)N(C(=O)Cc2cnn(CC)c2)C3)cn1 551658965 HUKHGDXJCZPPSB-KRWDZBQOSA-N 434.544 2.817 0 40 IFAB Cc1cccc(COCC[C@@H]2CCOC23CCN(S(=O)(=O)c2cccnc2)CC3)n1 575406503 YAZCOOHJVQSIDN-LJQANCHMSA-N 431.558 2.952 0 40 IFAB CCc1nc(CN2CCN(C(=O)N[C@H]3CCCN(c4cc(C)nc(C)n4)C3)CC2)cs1 596295742 DCLCJDJWLBCGMT-SFHVURJKSA-N 443.621 2.609 0 40 IFAB CC(C)(C)c1cn2nc(N3CCCN([C@@H]4CCN(CC(F)(F)F)C4=O)CC3)ccc2n1 2298051609 DGTADWPJKHSHCZ-OAHLLOKOSA-N 438.498 2.702 0 40 IFAB NC(=O)C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 1440067 GRBNEEWJSVWWJR-AWEZNQCLSA-N 437.308 2.516 0 40 IFAB CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(O)c1ccccc1 5541892 HGAINBGRJFALTP-WTEVXDJOSA-N 440.492 2.998 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCc2ccc3c(c2)OCO3)c1 8707326 VXNPTEITLPJLHS-UHFFFAOYSA-N 445.541 2.586 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCCCC1 9191821 HBVGIPXJKIBLIR-UHFFFAOYSA-N 431.514 2.611 0 40 IFAB CCc1ccccc1NCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9337829 IVSZALAXBISAIC-UHFFFAOYSA-N 449.555 2.831 0 40 IFAB COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)o1 9416798 YPJWGZNPZJJKFS-UHFFFAOYSA-N 428.470 2.610 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 9529563 QUBFAOJXFZHISA-UHFFFAOYSA-N 426.498 2.790 0 40 IFAB COc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 9556398 IVUGGJWHEFNALI-KRWDZBQOSA-N 449.525 2.551 0 40 IFAB CCCCn1c(COC(=O)c2ccc3c(c2)OCO3)nc2cc(S(N)(=O)=O)ccc21 9791310 GVOTZTBXPQSJCR-UHFFFAOYSA-N 431.470 2.570 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cc(C)cc(C)c5)CC4)ncnc32)c1 9850685 CIVOHMWKSWLHKJ-UHFFFAOYSA-N 443.511 2.798 0 40 IFAB CCCn1c(CSc2nnc(C3CC3)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21 9909419 KNIDPINQXXDFMZ-UHFFFAOYSA-N 434.591 2.995 0 40 IFAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 11077184 YLSBIIHGYBYINU-QFIPXVFZSA-N 443.525 2.619 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)cc1 11902192 BVOMDQRJRXFTLH-UHFFFAOYSA-N 444.513 2.822 0 40 IFAB CC(C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030466 ZZIRJPFYASIRMP-HXUWFJFHSA-N 435.567 2.698 0 40 IFAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 12228528 VPEYBFQPFWTLEW-UHFFFAOYSA-N 431.452 2.609 0 40 IFAB COc1cc(C)c(NC(=O)COCC(=O)Nc2cc(OC)c(OC)cc2C)cc1OC 12766825 PRERFUSNTGVYKD-UHFFFAOYSA-N 432.473 2.932 0 40 IFAB C[C@H]1CCCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)C1 12870643 MZNQXQXJESRYON-YJBOKZPZSA-N 428.558 2.981 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c(=O)n(C)c4ccccc43)n2)cc1 12927011 DDZQCVBLEHJCEQ-UHFFFAOYSA-N 435.509 2.738 0 40 IFAB CCN(C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 13030430 VBBZRVXOCIPEDA-KOEDOTQGSA-N 448.541 2.928 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(OC)ccc1Br 13102249 DUYKVAYIZQDNOH-UHFFFAOYSA-N 446.301 2.983 0 40 IFAB COc1ccc([C@@H]2C/C(=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)NN2C(C)=O)cc1 13549191 IESFCGHTGXBANL-VZCCSQPZSA-N 426.473 2.999 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1 14162053 SXEOVLNXWCYPKW-HXUWFJFHSA-N 449.294 2.759 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1OCC 15363162 CCNRRXDGQZUHMY-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC(C)Cn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12 16838076 XVPRVLKKNHPABB-UHFFFAOYSA-N 444.495 2.973 0 40 IFAB CC(=O)N1CCCN(C(=O)c2cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)no2)CC1 19017634 FWTWWEDMFSZLEL-IBGZPJMESA-N 430.549 2.655 0 40 IFAB COC(=O)[C@]1(CCSC)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 20150621 FXGOZSQZXFQEMS-BIZBXSGISA-N 430.551 2.863 0 40 IFAB CCN1CCc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2C1 21295362 AIRGHAIFHHIBTE-UHFFFAOYSA-N 440.616 2.622 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998315 NGOBXXKLYIJJAT-GOSISDBHSA-N 443.500 2.941 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 23078096 AHQHWGMDKOXCCM-HSZRJFAPSA-N 428.448 2.927 0 40 IFAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 25147018 KHAJXXNRPSPPJX-UHFFFAOYSA-N 449.510 2.583 0 40 IFAB CC1CCN(Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cc2)CC1 29358535 RSPUHPTXOQBINE-UHFFFAOYSA-N 426.561 2.789 0 40 IFAB O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 32759092 STULVVYXBSJOLN-FQEVSTJZSA-N 427.570 2.749 0 40 IFAB O=C(NCc1ccccc1Cn1ccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1 32859996 PWGUDEOJGXKHOY-UHFFFAOYSA-N 444.582 2.710 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)cc3[nH]c1=O)N(S(C)(=O)=O)CC2 35314772 JZGZLFKJYABVJW-OAQYLSRUSA-N 428.510 2.761 0 40 IFAB CN(Cc1ccco1)C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 39582172 QNNOKZYHGSWSAH-UHFFFAOYSA-N 428.466 2.896 0 40 IFAB C[C@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 48273999 SIPLSHHLILJRQK-MRXNPFEDSA-N 425.510 2.943 0 40 IFAB COc1cc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc(OC)c1 49399225 NRIQTIFWRWMINW-UHFFFAOYSA-N 439.859 2.867 0 40 IFAB CSc1ccccc1C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 56936734 WMDSKVAWIZLRJG-QGZVFWFLSA-N 448.614 2.544 0 40 IFAB COCCn1ncc2ccc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)cc21 58015316 IUWZRMJJKSXFNM-CQSZACIVSA-N 428.514 2.781 0 40 IFAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 58100897 FRNCZDPIKABMTN-UHFFFAOYSA-N 441.509 2.968 0 40 IFAB O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCC(n2cncn2)CC1 58142676 HJGDOMKAUZEKBA-UHFFFAOYSA-N 429.477 2.695 0 40 IFAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 59244738 NYOKMAYQUKWEFQ-UHFFFAOYSA-N 438.918 2.873 0 40 IFAB CC(C)c1cc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)on1 72335909 OUCNGLBCWSMNTN-UHFFFAOYSA-N 447.561 2.612 0 40 IFAB CN(C)C[C@H]1CCCN(C(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)C1 72374433 XSXZAHVOVWOMQC-LJQANCHMSA-N 435.572 2.910 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc1cc[nH]n1 79060809 PUTAVHKGOTZWHH-GFCCVEGCSA-N 445.339 2.513 0 40 IFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(CCc2ccccn2)CC1 79485579 MZHXHTDWJWVTNU-UHFFFAOYSA-N 435.524 2.825 0 40 IFAB COc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 95460444 PNFPPNLQENUDHS-UHFFFAOYSA-N 448.526 2.704 0 40 IFAB Cc1ccsc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97139667 OVRRZSCLGYSTEO-SFHVURJKSA-N 437.525 2.518 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4Cl)[C@H]3C2=O)cc1 101166319 DUENWBJHNZMTCD-RBUKOAKNSA-N 441.875 2.979 0 40 IFAB O=C1Nc2ccc(Br)cc2[C@@H]1Cc1nc2ccccc2c(=O)n1CCCO 101418639 YFGOUXAVVUCHTP-HNNXBMFYSA-N 428.286 2.820 0 40 IFAB CCOC(=O)[C@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218226979 GZGANBDTTBPFOX-JENIJYKNSA-N 438.343 2.958 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1c2ccccc2C[C@H]1C 223186030 BZWHIIWIUAACKP-QGZVFWFLSA-N 444.553 2.627 0 40 IFAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)CCC2 223232447 XNAVKLHKCSXIQP-SFHVURJKSA-N 441.597 2.744 0 40 IFAB O=C(CCC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1)c1ccc(Cl)cc1 225600949 FQCJGQDURBZIQM-UHFFFAOYSA-N 428.920 2.820 0 40 IFAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccco3)n2)C1 225911908 WAXRIAUSESJVOK-HZPDHXFCSA-N 430.578 2.875 0 40 IFAB Cc1nonc1CC(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257266334 MCOHEGDFZWAXTN-LJQANCHMSA-N 431.880 2.519 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 408660707 VBXJPLLSNFWUJK-OAHLLOKOSA-N 443.887 2.578 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408661354 MMHNPRMOTSYGNP-BHWMQLMCSA-N 439.295 2.896 0 40 IFAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408665321 RKHLMXQRLNACDD-LKGZUJRASA-N 426.513 2.713 0 40 IFAB NC(=O)c1ncn(C2CCN(c3ccc4cc(Br)c(F)cc4n3)CC2)c1N 518022941 NMDZOTRWWVKTSF-UHFFFAOYSA-N 433.285 2.856 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1nnc2ccccn12 532111024 BHCRRXIXGHBIHM-MRXNPFEDSA-N 445.570 2.732 0 40 IFAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2 564598682 XGTKUTHPJRYKOY-FQEVSTJZSA-N 429.542 2.536 0 40 IFAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575422686 MRHPTWINHJWTGV-IBGZPJMESA-N 430.636 2.720 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 585283161 QMCVAOYCDWDPAQ-AHWVRZQESA-N 440.584 2.511 0 40 IFAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](Cc2ccc(Nc3ccccn3)nn2)C1 585292725 RVAQSEPTLOOACW-RDELFYGPSA-N 431.544 3.460 0 40 IFAB O=C1NC(=O)c2cc(NC(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)ccc21 620428569 DZZVVUKOBSRNAM-NSHDSACASA-N 427.848 2.501 0 40 IFAB CCOc1cccc2c1OCCOCCN(C(=O)c1cn(C)nc1C)C[C@@H]1CCCN1C2 643567658 OKIAWRXCZYEZLW-FQEVSTJZSA-N 442.560 2.643 0 40 IFAB COc1ccc([C@@H](CC(=O)NCc2nnc3ccccn23)c2oc(C)cc(=O)c2O)cc1 1547138792 RWCHULJLVWWBQK-QGZVFWFLSA-N 434.452 2.544 0 40 IFAB biogenic COc1ccc(-c2ncnc(N3CC(N(C)c4nc(C)nc5c4cnn5C)C3)c2F)cc1 1775973847 HNSFOJHQQZXOJY-UHFFFAOYSA-N 434.479 2.601 0 40 IFAB Cc1cc(C)n2nc(C(=O)N3CC[C@@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@H]43)nc2n1 2087154448 YSQYOGPFLJUEGD-UKRRQHHQSA-N 431.422 2.506 0 40 IFAB COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 2723495 DFDMMDDCQVEQRP-UHFFFAOYSA-N 428.470 2.782 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NCc1ccccc1 3327816 WOOXXNZJPFFUCY-QFIPXVFZSA-N 442.471 2.754 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 3593392 KAIAWCPIQLQXPY-OAQYLSRUSA-N 444.329 2.965 0 40 IFAB CC(=O)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(C(C)(C)C)n4)CO[C@H]23)cc1 8297255 HVQBOTPPLGASAD-RAUXBKROSA-N 439.516 2.745 0 40 IFAB biogenic,in-vitro COC(=O)[C@H](Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)C(=O)Nc1cc(C)ccc1C 8653648 BELSWYSWNHPMHA-CQSZACIVSA-N 441.871 2.733 0 40 IFAB COc1cc(N2C[C@H](CNC(=O)Nc3ccc4c(c3)OCO4)OC2=O)cc(OC)c1OC 8867617 UOGBLNLCAUGTBG-AWEZNQCLSA-N 445.428 2.588 0 40 IFAB Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(-c2nc(O)cc(C(C)C)n2)n1 9089610 MXDCYMMXSPLVMD-UHFFFAOYSA-N 428.880 2.708 0 40 IFAB COc1ccc(CCN(C)C(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1OC 9127801 QWOVIMVAYZQWND-UHFFFAOYSA-N 445.520 2.608 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(C)noc2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 9591578 RTXUTDBEUVPDDZ-QGZVFWFLSA-N 433.848 2.973 0 40 IFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn23)c1 9640301 SBBZXJCURYXCRV-MRXNPFEDSA-N 447.520 2.799 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2cccc(F)c2)cc1 9745040 YKKBKBQQUIRKJB-IBGZPJMESA-N 447.532 2.822 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC 9892516 GQHXQCRPIKDASM-JXFKEZNVSA-N 442.512 2.959 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCCN3CCCC3)Oc3ccccc32)cc1 10450159 HCSUIWFLLPHRBJ-JOCHJYFZSA-N 443.569 2.553 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccccc3)nnc1n2Cc1c(F)cccc1Cl 10969518 WXLIGDCYSJXOFS-UHFFFAOYSA-N 438.850 2.589 0 40 IFAB O=c1ccc(-c2cccnc2)nn1CCNS(=O)(=O)c1cc(Cl)ccc1Cl 11743900 PIWQVZLXMDMAQR-UHFFFAOYSA-N 425.297 2.591 0 40 IFAB CCn1cc([C@H]2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130182 HPYVXHDRBQOIKV-HUUCEWRRSA-N 446.360 2.737 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 12236920 KXTLHITZBVOLRH-UHFFFAOYSA-N 439.472 2.771 0 40 IFAB COc1ccc([C@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)N2CCCCC2)cc1 12768542 BJYKZRMSYPHYEA-FQEVSTJZSA-N 432.546 2.691 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2(c3ccccc3)CCC2)cc1 12938324 KFBNVGBKKCGZOQ-INIZCTEOSA-N 429.542 2.550 0 40 IFAB CCN(CC)Cc1ccccc1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 13012956 KXJMCMDAQWRQKX-XMMPIXPASA-N 440.519 2.751 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 13038839 AVDZLBQSVNSATO-UHFFFAOYSA-N 441.597 2.925 0 40 IFAB COc1cccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1OC 13576047 MPKYNPBYZPNPGZ-HSZRJFAPSA-N 447.491 2.843 0 40 IFAB CN(C)CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 13668937 WGOQWYXPDOABLP-UHFFFAOYSA-N 430.357 2.867 0 40 IFAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN([C@@H]2CCS(=O)(=O)C2)CO4)cc1 13688487 REGLNYFGQJTYBC-MRXNPFEDSA-N 427.478 2.808 0 40 IFAB biogenic COc1ccc(C(=O)N2CCN(c3nc4sc5c(c4c(=O)n3C)CCCC5)CC2)cc1 13690828 YIGCQDTUAOFGSW-UHFFFAOYSA-N 438.553 2.845 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(OC(F)(F)F)cc1 14018245 SCZOTOLXZLQZKZ-IBGZPJMESA-N 435.358 2.754 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 14084240 YXBWFUPRTVPTRE-QGZVFWFLSA-N 443.525 2.523 0 40 IFAB CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2nc3ccccc3nc21 14814762 QEZFKDQDFYBGDZ-UHFFFAOYSA-N 437.525 2.511 0 40 IFAB O=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 15317561 XTJYGOIWEQCALK-UHFFFAOYSA-N 430.404 2.700 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 15957076 YRMOPAGMKRTMFB-JYEBCORGSA-N 447.535 2.889 0 40 IFAB biogenic COc1ccccc1N1CCN(C(=O)CSc2nnnn2-c2cccc(Cl)c2)CC1 19360095 TXEHNHLANIQMCN-UHFFFAOYSA-N 444.948 2.765 0 40 IFAB CCN1CCN([C@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1 19527969 XSZYFOSNWMONJW-HSZRJFAPSA-N 443.555 2.598 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)[C@H]3CCOC3)C1)C[C@@H]2C(F)(F)F 19530922 AIAYQGPAGOSRFV-BFJAYTPKSA-N 444.454 2.623 0 40 IFAB O=C(Cn1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1=O)NCc1ccccc1 19751065 CULHHGNPEUPPHU-UHFFFAOYSA-N 427.464 2.603 0 40 IFAB Cc1nc(C2CCN(C(=O)c3noc(C)c3CN3CCCCCC3)CC2)ncc1C(N)=O 19766634 YYNPKSJISCBOMJ-UHFFFAOYSA-N 440.548 2.576 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN4C(=O)C3CC3)ccc21 19819482 XCGYBABGUXJWMV-UHFFFAOYSA-N 425.510 2.696 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n([C@@H](C)c2ccccc2)c1=O 20757517 CXGJFWDEGVAWEI-ZSEKCTLFSA-N 432.480 2.577 0 40 IFAB biogenic COc1cc(OC)c(OC)cc1CNC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 21583355 QDEDQNZCXNIZOR-MRXNPFEDSA-N 439.516 2.602 0 40 IFAB Cc1ccc(CN(c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(C)(=O)=O)cc1 22231551 VVZISJMSTMCJJS-NRFANRHFSA-N 432.542 2.635 0 40 IFAB COc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1 22333487 VUEDHIZTEIIEOO-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CCN(C)CC2)cc1 22795658 AJTFUVBLMBKUMQ-OAQYLSRUSA-N 444.963 2.700 0 40 IFAB Cn1c(=O)c2ccc(-c3cccs3)nc2n1CC(=O)N1CCN(c2ccccc2)CC1 23137924 YULOWJPTLQRVKT-UHFFFAOYSA-N 433.537 2.812 0 40 IFAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 24974601 MNUAOVFMXDIKBH-KDOFPFPSSA-N 437.448 2.898 0 40 IFAB COc1ccc(N[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1S(=O)(=O)N(C)C 24983855 NTQXSUBUTRAWEU-OAHLLOKOSA-N 448.545 2.711 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3CCOCC3)c2)c1 25285954 JPNFAPIYKGKDRN-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 29773988 QQBJPNGCSUUIBG-KRWDZBQOSA-N 432.542 2.906 0 40 IFAB NS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 32754044 KXLCTJHEJBTVHG-UHFFFAOYSA-N 433.493 2.842 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCC2)cc1OC 59444200 ZGDACURFUYHVFU-UHFFFAOYSA-N 446.569 2.996 0 40 IFAB CCC(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)COc3ccccn3)o2)CC1 72344861 XUHIWILLMRQJCT-KRWDZBQOSA-N 427.505 2.713 0 40 IFAB O=C(Cc1ccc2c(c1)OCCO2)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395644 BKSHOMLOTPZUAA-JKSUJKDBSA-N 433.459 2.521 0 40 IFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 77200907 DTNZBENZNJQHHQ-UHFFFAOYSA-N 442.520 2.668 0 40 IFAB O=C(NCc1nccn1CCc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 79051636 PPJKMVIOZOPMIW-UHFFFAOYSA-N 433.512 2.920 0 40 IFAB NC(=O)c1c(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)sc2c1CCC2 84367729 KIJHWKWHJCZNNM-UHFFFAOYSA-N 432.977 2.745 0 40 IFAB COC(=O)C[C@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1 95444717 OAESVXWOSAQUBG-INIZCTEOSA-N 434.489 2.601 0 40 IFAB CCN1C[C@H]2C3(CCN(S(=O)(=O)c4ccccc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96262458 IYUAJUGOBMPSCR-XUZZJYLKSA-N 445.629 2.812 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@]4(Br)[C@H](C2)N(C)CC[C@@]314 96316405 DOUIIQXGCWGWBD-ADDNLYQESA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102380771 UPNNNTPTZMAHQX-BETUJISGSA-N 431.905 2.509 0 40 IFAB C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 223867490 QNDCCTOXDJYRSV-NSHDSACASA-N 430.935 2.606 0 40 IFAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224236451 LSUHXVUFLFDXBC-CQSZACIVSA-N 426.922 2.553 0 40 IFAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)CCOCC2)c1 225566365 VCTYJUHMCTZCNE-UHFFFAOYSA-N 438.524 2.920 0 40 IFAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 225575889 NNLPDYJCGQAQFJ-OAHLLOKOSA-N 431.480 2.857 0 40 IFAB C[C@@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 245237194 GCNOHPDPBZYRGZ-KDOFPFPSSA-N 444.582 2.958 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1O[C@H]1CCOC1 253402326 OCWPWSKKTNLQMR-AWEZNQCLSA-N 446.510 2.759 0 40 IFAB Cc1ccc(F)c(CN2CCN3CCn4c(C(=O)NCc5cccs5)nnc4[C@@H]3C2)c1 306124884 CBIBKMBCRHGMJC-IBGZPJMESA-N 440.548 2.590 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408661976 PBEVCHMTCKXSHL-WIOUJZMWSA-N 432.904 2.877 0 40 IFAB CCc1nnc(-c2cccc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)c2)o1 1634522997 OUZUVICXNZIKCE-PKOBYXMFSA-N 438.459 2.581 0 40 IFAB COCCn1cnc2c(N3CCN(c4nc5c(F)cc(F)cc5s4)CC3)ncnc21 1888941731 BTZUVKBFHZNIPE-UHFFFAOYSA-N 431.472 2.687 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(OCC)cc1 929972 XSRZCPSWFYGSDO-UHFFFAOYSA-N 427.486 2.969 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1 2104081 JLCMQWWMJSTJNP-IBGZPJMESA-N 425.437 2.560 0 40 IFAB biogenic O[C@H](CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1)Cn1ccc(C(F)(F)F)n1 4276660 ULXNXRAQDGHOKO-GFCCVEGCSA-N 438.376 2.648 0 40 IFAB O=C(NCc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5440358 PCEWQCYDXUANGQ-FNAHDJPLSA-N 449.486 2.729 0 40 IFAB biogenic,in-vitro CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1cccc(C)c1 8882054 XNTRIHIENAVCCJ-UHFFFAOYSA-N 439.541 2.943 0 40 IFAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 9103888 CJQLINDQZHBEMD-UONOGXRCSA-N 429.498 2.839 0 40 IFAB CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nc2cc(S(N)(=O)=O)ccc21 9115774 CRYZKTCUHJBQSC-UHFFFAOYSA-N 437.547 2.720 0 40 IFAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 9130068 WPVKALCWBZTZDQ-UHFFFAOYSA-N 429.480 2.845 0 40 IFAB COc1cccc(/C=C(/C(=O)OCC(=O)NCCCN2CCCC2=O)c2ccccc2)c1 9562624 UGGCKESWXWLZGU-OQKWZONESA-N 436.508 2.908 0 40 IFAB O=C(NCCc1nnc2ccc(SCC(=O)N3CCCCCC3)nn12)c1ccccc1 9578275 WYUORCHQDCOCAG-UHFFFAOYSA-N 438.557 2.592 0 40 IFAB O=C(COCC(=O)N1CCc2ccccc2C1)N1CCN(c2cccc(Cl)c2)CC1 9601119 PJCGVOQODUEEKY-UHFFFAOYSA-N 427.932 2.590 0 40 IFAB NC(=O)c1c(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)sc2c1CCC2 9711922 KCCAZNJFSXSGLO-UHFFFAOYSA-N 426.542 2.625 0 40 IFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)/C=C/c4ccc5c(c4)OCO5)cnc32)cc1C 10252088 NCICNOJGMIOJQY-VMPITWQZSA-N 429.436 2.711 0 40 IFAB Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1C 11665879 HLDLEYIFWYAUNS-UHFFFAOYSA-N 431.475 2.929 0 40 IFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nonc3-c3ccc(OC)cc3)n2)cc1 11915070 ZNGFZKKYIPABBV-UHFFFAOYSA-N 433.424 2.942 0 40 IFAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130188 SMHRLSXBOUUXKU-GJZGRUSLSA-N 446.360 2.737 0 40 IFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1=O 12600292 PFUSUBPWJPLBFT-AUBMYDRESA-N 448.523 2.571 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1cccc(Cl)c1 12870108 KDVQAYNPCYCKSH-UHFFFAOYSA-N 433.961 2.774 0 40 IFAB Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1NC(=O)c1ccccc1 13096096 OWFDFWQNAGPIHF-UHFFFAOYSA-N 435.480 2.933 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 13566755 HYCJITWYLNYMNQ-LJQANCHMSA-N 445.585 2.815 0 40 IFAB CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc(I)c2)c2ccccc2O1 14198582 NYZXNMJOSREVGG-INIZCTEOSA-N 436.249 2.787 0 40 IFAB O=C(CCn1c(=O)oc2ccccc21)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 18948661 YKTQRRNBSXNFEE-UHFFFAOYSA-N 435.436 2.842 0 40 IFAB COc1cccc(C(=O)N2CCCC[C@@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)=O)CC4)c1 19017957 WHYXEXCECTWXJL-OAQYLSRUSA-N 449.511 2.716 0 40 IFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC1CCN(C(C)C)CC1)CC1(CCOCC1)O2 19218653 ZJNOPSMBZZYAGL-IBGZPJMESA-N 443.588 2.756 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)c3cccc(C)c3OC)CC2)n1 19697484 VYMLKVCVVJKBRJ-QGZVFWFLSA-N 437.544 2.801 0 40 IFAB CNc1nc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc2c1CCN(C(C)=O)C2 19707824 VLGBMOFTZXWZKZ-UHFFFAOYSA-N 439.535 2.901 0 40 IFAB Cc1nc([C@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741253 ZIFVEUQOTSIYQN-NRFANRHFSA-N 449.599 2.965 0 40 IFAB COc1cccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20105852 HIKZAQKMBBTKQW-LJQANCHMSA-N 438.933 2.625 0 40 IFAB Cc1ccc(SCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20245116 GGGMJRQMIXGAEX-UHFFFAOYSA-N 425.551 2.655 0 40 IFAB CCOc1cc(Br)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC 20444911 IENSPAPYFICTAY-RISCZKNCSA-N 435.365 2.900 0 40 IFAB C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 21628209 MKVILGSJUDMPQC-GHMZBOCLSA-N 425.561 2.757 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2ccccc2Br)CC1 22318693 KAIGWGUCAJKEGI-UHFFFAOYSA-N 428.352 2.951 0 40 IFAB CCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccn(C)n3)sc2c1 23128154 KWMXNIRRMRXVTM-UHFFFAOYSA-N 429.546 2.798 0 40 IFAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1)NC1CC1 25008908 SFYAFLCVKMKKBF-UHFFFAOYSA-N 428.439 2.847 0 40 IFAB COc1ccc(OC)c(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1 26375621 HENFTLSTXMZREF-UHFFFAOYSA-N 447.285 2.769 0 40 IFAB O=C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 39558846 PNRYVHIDKZJONL-UHFFFAOYSA-N 435.465 2.539 0 40 IFAB Cc1nc(S)sc1CC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 40051636 RCXYFFDDHTUGRF-UHFFFAOYSA-N 427.498 2.869 0 40 IFAB CCC(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)c3ccnc(NC)c3)o2)CC1 72344854 SKXAXSAPCAEAAJ-QGZVFWFLSA-N 426.521 2.990 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Oc1ccc(N2CCCC2=O)cc1 78739144 JFQGHVRADMUVSS-LJQANCHMSA-N 448.566 2.819 0 40 IFAB Cc1nncn1-c1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 95451163 JFTSLQTVELMQIR-UHFFFAOYSA-N 429.477 2.752 0 40 IFAB COc1cccc(/C=C\C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 97985686 RAPDEOMOPHGJEP-SEYXRHQNSA-N 448.523 2.878 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@H]21 101169312 LICGIZAKOGILKS-IRXDYDNUSA-N 433.802 2.859 0 40 IFAB CN1CCN(S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)CC1 220008815 QTUOYHHOFQXJLF-UHFFFAOYSA-N 433.961 2.869 0 40 IFAB C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccccc1F)S(C)(=O)=O 220323486 VTTYNLWHHONGSF-CQSZACIVSA-N 432.477 2.689 0 40 IFAB COc1ccccc1N(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 223433390 IHFIXWINZHDCAF-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 223617587 RAIRQYKMHKXSPC-UHFFFAOYSA-N 427.280 2.925 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 225514940 BGBOGKPELMKXRQ-GOSISDBHSA-N 440.525 2.762 0 40 IFAB C[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225575766 IERGFBQYUGHRSS-MRXNPFEDSA-N 432.542 2.750 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4cccc(OC)c4)no3)ccc21 225699665 VVNZLEZXBWTTGG-UHFFFAOYSA-N 446.510 2.620 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 225734082 XIMGFXACGNJFFI-UHFFFAOYSA-N 446.554 2.738 0 40 IFAB CCOC(=O)Cn1c(Cl)c(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)sc1=O 257306844 SWGCJAVWHALUQR-JSGCOSHPSA-N 447.948 2.739 0 40 IFAB CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 257325020 WRCPBWPAMVBQGM-QFIPXVFZSA-N 448.567 2.879 0 40 IFAB COC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CCN(C)C2 408564333 WIXOKQPMFPBUFP-UHFFFAOYSA-N 429.542 2.607 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccnc2)C1 408700044 AETFBYHBIGTBQJ-IBGZPJMESA-N 431.558 2.931 0 40 IFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 522513070 AUZSPIVHIHSYSL-NZQKXSOJSA-N 439.512 2.710 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3O[C@]3(O)C=C(C)OC(=O)[C@H]23)OCO4)cc(OC)c1OC 1607708 HLSYKUZMRGENJH-ZRCGQRJVSA-N 442.420 2.731 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 3300665 AEEVWDOFVNQBEG-FQEVSTJZSA-N 432.448 2.779 0 40 IFAB C[C@@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 3456554 JWNPOKLTBRBDBL-CRAIPNDOSA-N 426.494 2.930 0 40 IFAB CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 4077823 XBGRXJILLRDHNG-OWSLCNJRSA-N 433.457 2.634 0 40 IFAB Cc1ccc(OCCN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 8705861 TUTYUGFNANHZRO-UHFFFAOYSA-N 431.558 2.729 0 40 IFAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263195 SOXIJDSVAZTEMO-UHFFFAOYSA-N 443.460 2.595 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)CC2=O)cc1 9288731 STPAJHYGXDXKPK-HNNXBMFYSA-N 440.452 2.650 0 40 IFAB COc1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1 9335674 XJKYLLXLDCHQBT-UHFFFAOYSA-N 426.494 2.852 0 40 IFAB CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NC1CCCCC1 9335968 ZHVUTPOSEYOLPS-SFHVURJKSA-N 443.997 2.794 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 9337183 SAZMAHUUQLUWQF-OAHLLOKOSA-N 425.268 2.633 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1C 9467238 WTSJVIKEIOTEOZ-UHFFFAOYSA-N 439.537 2.832 0 40 IFAB O=C(N[C@H](C(=O)O)c1ccccc1)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 9575853 NTLOSRFHIIJIAF-ATDULFAZSA-N 449.551 2.566 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1 9667901 CDMAXQMCFNKRTQ-OAQYLSRUSA-N 437.521 2.622 0 40 IFAB O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)NC1CCCCC1 9714295 BFLGDUCZUOCOPE-UHFFFAOYSA-N 449.555 2.972 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)CC1 10542070 WHTORCLOEVKZSQ-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 11834811 OGQGLVPFNLBGME-INIZCTEOSA-N 426.469 2.801 0 40 IFAB COC(=O)Cn1cc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c2ccccc21 12222493 LTLPERKFXJGPEV-UHFFFAOYSA-N 429.480 2.518 0 40 IFAB O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12781425 NCBHZQQEXMXNQX-JKNJVXJCSA-N 447.285 2.566 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1OCC 12876677 KVSZQISSSRTWJA-QMHKHESXSA-N 431.533 2.643 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)C[C@H]1Oc2ccccc2NC1=O 12922339 DMIBGODQRNGEPU-MRXNPFEDSA-N 432.274 2.602 0 40 IFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)n1 13074048 WAIFCFAQLCKZIA-OAHLLOKOSA-N 434.500 2.930 0 40 IFAB COc1cccc(Cn2c(=O)n(CCC(=O)N3CCCCC3)c(=O)c3sccc32)c1 13592999 ZAERWHPCGSKNCE-UHFFFAOYSA-N 427.526 2.684 0 40 IFAB Cc1nn(CC(=O)N2CCCc3ccccc32)c(C)c1S(=O)(=O)N(C)Cc1ccco1 14117356 LKAKJERNEISONV-UHFFFAOYSA-N 442.541 2.893 0 40 IFAB C[C@@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(N)nc(N(C)C)n1 14184785 KBAYLCGLAKFBDU-CQSZACIVSA-N 430.472 2.686 0 40 IFAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 15386382 JMGIYJZZMQFHAT-UHFFFAOYSA-N 429.361 2.966 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@H]12 15957155 WZHLIHJBDWMWBH-YDLHNXBPSA-N 435.549 2.982 0 40 IFAB biogenic CCN1CCN(C(=O)Cn2cc(C)nn2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527329 QWBRTBWDWIWITD-QHCPKHFHSA-N 431.540 2.803 0 40 IFAB COc1ccccc1CNC(=O)CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 20739438 XBIHSWFSFVISMJ-UHFFFAOYSA-N 448.523 2.558 0 40 IFAB COc1cc(C(=O)N[C@H](C)C(=O)NCC2(N(C)C)CCCCCC2)cc(OC)c1OC 21200307 MPIXSNKPEDIXKW-MRXNPFEDSA-N 435.565 2.602 0 40 IFAB COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@H]2[C@@H]1C 30884046 WFZNLLDUSYTMNI-MOKMAUJRSA-N 445.604 2.679 0 40 IFAB biogenic,in-vitro CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30942630 DSKSTDZVDJSFFY-LJQANCHMSA-N 445.541 2.771 0 40 IFAB O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 31780044 QFJLOFPOPWTDDJ-UHFFFAOYSA-N 427.526 2.528 0 40 IFAB CCc1c(C(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cnn1-c1cccc(Cl)c1 32242630 ALUJTCJQXFMKPB-UHFFFAOYSA-N 431.968 2.761 0 40 IFAB CCCNC(=O)[C@@H]1CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2O1 32678562 GVLZTTFCNMKQRR-QFIPXVFZSA-N 448.523 2.724 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1csc(COc2ccc(F)cc2)n1 32892750 IQHNMATZGXSUNS-IBGZPJMESA-N 425.485 2.843 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(NC(N)=O)cc1 32927574 RFFRHNVTUZOQOI-LLVKDONJSA-N 444.435 2.509 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)C1 33005306 HDELAIDSIBPCEG-QGZVFWFLSA-N 430.526 2.927 0 40 IFAB C[C@H](CNC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccccc1 34886378 GLZKIIVUOGLNRM-KEWOFRHOSA-N 427.570 2.525 0 40 IFAB CCCc1nnc(S)n1CC(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1 36393863 POAKTCGAHYDJFO-UHFFFAOYSA-N 428.518 2.829 0 40 IFAB O=C(Nc1nncs1)[C@@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 40151015 LQWFQXBQHOBBRM-LLVKDONJSA-N 425.308 2.557 0 40 IFAB COc1cccc(-c2noc(Cn3nc4ccc(-c5ccccc5)nn4c3=O)n2)c1OC 49399459 XRWWNLPITCOGQR-UHFFFAOYSA-N 430.424 2.674 0 40 IFAB CS(=O)(=O)NCCNC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 72289647 ZOHKXWKHTNQDMP-UHFFFAOYSA-N 432.384 2.543 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1cccnc1 80337926 SWHAAMWAHGQYOJ-CQSZACIVSA-N 436.343 2.925 0 40 IFAB CN1CCN(Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn12 96156626 UGJZAUQPRMNKDQ-JOCHJYFZSA-N 441.539 2.543 0 40 IFAB CN(Cc1ccccc1)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC3CCOCC3)O2)no1 96268990 WEHUCCKRPPATKO-OEMFJLHTSA-N 429.561 2.526 0 40 IFAB biogenic,in-vitro CC(C)C(=O)N1CCc2nc3cc(C4CCN(CC5=CCCOC5)CC4)nn3c(O)c2C1 100232600 MBQOAPGSCALBOM-UHFFFAOYSA-N 439.560 2.502 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(OC)cc2OC)CC1=O 138840241 PEGKJODSJPLDMS-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1 220490639 FQUKRLYCWLQBJZ-CQSZACIVSA-N 432.477 2.655 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223194093 HSYUQMOWPDAXPX-KRWDZBQOSA-N 428.554 2.996 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)cc1 224140848 NJBKHSXJWWMQDE-UHFFFAOYSA-N 432.483 2.671 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c(C)c1 225036899 BXBKRUOUGIRAGJ-UHFFFAOYSA-N 426.520 2.809 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)nn2c(C)c1CCC(=O)N1CCCC1 257247191 IXVVVGCXTGGQFN-RTWAWAEBSA-N 439.560 2.744 0 40 IFAB O=C(N1C[C@H](O)[C@@H](N2CCc3ccccc3C2)C1)C1(Cc2ccc(F)cc2)CCOCC1 257259244 KXLZFFKRHJACAM-ZEQRLZLVSA-N 438.543 2.795 0 40 IFAB Cc1nonc1C(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257331074 XRGWLDIJMKUXFK-OAHLLOKOSA-N 443.891 2.746 0 40 IFAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCn2ccnc2)cc1 408621363 NUCZNNGCNUFVIC-UHFFFAOYSA-N 440.569 2.631 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1 408636896 VSRIKJAEONUUHE-UHFFFAOYSA-N 432.970 2.873 0 40 IFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccc(OC(=O)c2cccs2)cc1 408656341 HPIPZTZYBPCXIH-QODLLSGVSA-N 426.446 2.891 0 40 IFAB CN1c2cc(F)c(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2N(C)S1(=O)=O 575611450 FTDZMERTGZLPCU-LBPRGKRZSA-N 442.513 2.542 0 40 IFAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccsc1)C2 585106691 FMBOKMFEZDGEEE-DEOSSOPVSA-N 449.580 2.949 0 40 IFAB CCOc1ccccc1CN1CCC2(CCCCOCCCNC(=O)[C@H](C)NC2=O)CC1 643566150 QUQUPYZMZWEGSD-FQEVSTJZSA-N 445.604 2.879 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775974486 HPQPLCZVNNFEIH-UHFFFAOYSA-N 435.399 2.875 0 40 IFAB COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(C(C)(C)C)cc4)sc3nc2=O)cc1 2252676 YEOYTTZUEFYPFR-ZHZULCJRSA-N 433.533 2.956 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 3424352 NVZMZKGZJUNQJL-UHFFFAOYSA-N 434.495 2.762 0 40 IFAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc(C)cc4)ccc3c2=O)cc1 4791468 WSHQWLZZYHROJE-UHFFFAOYSA-N 429.476 2.985 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1nnc(C)s1 6878501 ZUWPIXOMDHZRKF-UHFFFAOYSA-N 435.510 2.509 0 40 IFAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 8954950 PSSKSZDRVRSWGG-UHFFFAOYSA-N 445.444 2.849 0 40 IFAB O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1nccs1 9192199 VGKQWESHGODGQO-UHFFFAOYSA-N 429.531 2.639 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2CC)CC1 9382287 OOPJXZJRAGXILG-UHFFFAOYSA-N 442.545 2.839 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)ccc1O 9440757 MIXWGSOSMRXLIU-FZKGZDJFSA-N 444.509 2.881 0 40 IFAB COc1ccc(CCNc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)cc1OC 9578761 PQRDBCYMNFWYBL-UHFFFAOYSA-N 446.511 2.769 0 40 IFAB CCCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 9707431 HGKBQGCEVIRBFW-UHFFFAOYSA-N 426.542 2.569 0 40 IFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1cc2ccccc2o1 9712592 SDWBCIRFMNBTAN-UHFFFAOYSA-N 426.450 2.678 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)NCc1ccc(C)cc1 9761913 KEROTRJQGSAPFW-UHFFFAOYSA-N 439.443 2.552 0 40 IFAB COc1ccc(CCNC(=O)CSc2ncc(CO)n2Cc2ccccc2)cc1OC 10336335 NZIRDCIQTQMULU-UHFFFAOYSA-N 441.553 2.892 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)Nc1ccc2ncccc2c1 12085597 MSCLJMCLVGONQI-XMMPIXPASA-N 429.480 2.738 0 40 IFAB O=C(c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)N1CCN(C(=O)c2ccco2)CC1 12374875 JBNAIMHITWLFDJ-OALUTQOASA-N 435.480 2.557 0 40 IFAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 12556290 ANWUXKCRFMEXBT-NRFANRHFSA-N 434.584 2.744 0 40 IFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 12781284 UBXBMOGMKNDFGN-KSSFIOAISA-N 441.484 2.730 0 40 IFAB CNS(=O)(=O)c1cc(NC(=O)c2cc(OC)cc(Br)c2OC)ccc1C 12929590 DORUBRGWPABYAP-UHFFFAOYSA-N 443.319 2.935 0 40 IFAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1Cl 12946559 VWWBGMNLLROEOO-UHFFFAOYSA-N 446.754 2.813 0 40 IFAB O=C(CSc1nnnn1-c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccccc2)C1 12980157 BGKMWDXXVUXLJG-QGZVFWFLSA-N 428.949 2.799 0 40 IFAB C[C@@]1(C(=O)N(CCc2ccccc2)CC(=O)NC2CCCC2)CC(=O)N=C2C=CC=CN21 13082988 GVBPOQJLZYWRGZ-VWLOTQADSA-N 434.540 2.590 0 40 IFAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(Cl)cc2)ccc1F 13371833 FGRZWUYTMLCDIO-ROUUACIJSA-N 431.938 2.517 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCCN3C(=O)c3ccccc32)cc1 13624145 GANNFVPQFVISKS-HXUWFJFHSA-N 435.480 2.843 0 40 IFAB Cn1c(CNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 13721139 HRQAAAOQZIZUIP-HXUWFJFHSA-N 432.436 2.875 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)cc1 13944111 OMVDLESNGASDBL-SFHVURJKSA-N 435.590 2.863 0 40 IFAB CC(C)CNc1nn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(=S)s1 14245598 RUZRTLTXRWCQKC-UHFFFAOYSA-N 427.621 2.706 0 40 IFAB O=c1c(Cl)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccc1 15129911 RXBNNNOSJCULBL-UHFFFAOYSA-N 444.944 2.538 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2ccncc2)CCO1 19580801 BPEGRMNUIUBLBY-RUZDIDTESA-N 430.508 2.686 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)cc1 19692722 JIVVLTOOMCMGFX-NRFANRHFSA-N 448.527 2.839 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 19707826 NTGUBORBLJOGSS-HXUWFJFHSA-N 425.508 2.858 0 40 IFAB CCS(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738918 FZKUZZGQRCGQIS-IBGZPJMESA-N 442.585 2.754 0 40 IFAB CSCC[C@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1nnc2ccccn12 20722030 SGLUXQHXILKPDT-HNNXBMFYSA-N 440.554 2.669 0 40 IFAB CCc1nn2c(CC(=O)OC)c(C(=O)OC)nnc2c1-c1ccc(Br)cc1 20797810 DWOZIWCEINEIMQ-UHFFFAOYSA-N 433.262 2.618 0 40 IFAB O=C(OCCCN1C(=O)c2ccccc2C1=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 24732798 PINLKBNIRSUSNJ-UHFFFAOYSA-N 438.455 2.907 0 40 IFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 24753511 ZZVGIQFDVIGASR-UHFFFAOYSA-N 431.500 2.819 0 40 IFAB COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1OC 25201690 DKWGOOFNVOIUKI-UHFFFAOYSA-N 445.947 2.822 0 40 IFAB COCCN(CCOC)c1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3 25748306 YGCGMRRMUYMMAG-INIZCTEOSA-N 434.606 2.748 0 40 IFAB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 30868019 ZJKGUKKVSRJLGO-GOSISDBHSA-N 426.542 2.960 0 40 IFAB C[C@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@@H](C)O1 31413567 DXNUTDYWHJQKHE-LVCYWYKZSA-N 425.529 2.554 0 40 IFAB COc1cccc(/C=C2\SC(=O)N(CCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)c1 33586010 XKJCFUGZBBTDPQ-HJHGFDQJSA-N 440.521 2.841 0 40 IFAB COc1ccc(C)c2sc(N3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc12 36709520 HDCFTFIFUBZCER-UHFFFAOYSA-N 438.509 2.870 0 40 IFAB CCCc1cc(=O)[nH]c(SCC2=C(C(=O)OCC)[C@H](c3ccc(C)o3)NC(=O)N2)n1 40058050 VNONWCDLWPOGNK-KRWDZBQOSA-N 432.502 2.587 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(F)cc1Cl 40478110 KYKPICXORKLTEF-UHFFFAOYSA-N 448.792 2.746 0 40 IFAB Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(C(=O)c4ccco4)CC3)nc2s1 41077385 PIYSAVBDFUUGHC-UHFFFAOYSA-N 435.509 2.677 0 40 IFAB COc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1OC 57531373 BZYJITTWENPWEU-BXWFABGCSA-N 440.443 2.973 0 40 IFAB O=C(NC1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1ccncc1 70004901 OMSXBAQQLHYPJZ-UHFFFAOYSA-N 438.572 2.525 0 40 IFAB COc1cccc2cc(C(=O)NCC3CCN(S(=O)(=O)c4cccnc4)CC3)oc12 70933467 YPRGFNZXPRJBBI-UHFFFAOYSA-N 429.498 2.667 0 40 IFAB CN(C)CCn1cc(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c2ccccc21 78720240 HXHSXRRWLFRDSS-HXUWFJFHSA-N 437.466 2.506 0 40 IFAB C[S@](=O)C[C@@H](NC(=O)C(=O)Nc1cc(Br)ccc1F)c1ccccc1 89493049 FLINFBUWIIFFHB-SGANQWHYSA-N 427.295 2.763 0 40 IFAB Cc1ccccc1CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 96145915 BNNYFCNWSCUUCD-VXKWHMMOSA-N 443.613 2.973 0 40 IFAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 100552098 YYBWDBNHQVNJJY-OALUTQOASA-N 435.576 2.638 0 40 IFAB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1/C=C/c1ccccc1OC 100552355 FHPRJTZZNRLDKU-ZHACJKMWSA-N 445.512 2.855 0 40 IFAB O=C(CNS(=O)(=O)c1cccc(Cl)c1)NC[C@H]1CCCN1c1nc2ccccc2o1 206772159 QAKFVTFRFDRRAA-OAHLLOKOSA-N 448.932 2.545 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1N1CCCC1=O 223790620 LFWOKARFDJNZCZ-UHFFFAOYSA-N 429.498 2.750 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 224274169 FWGRTRQFOKYXBS-UHFFFAOYSA-N 446.447 2.530 0 40 IFAB CN(CC(=O)N1CCS/C1=C/c1csc(NCc2ccccc2)n1)S(C)(=O)=O 225257461 SQQOJBFEDVHZRM-LICLKQGHSA-N 438.600 2.520 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c1 225928437 WHXYGYADCIVHDJ-UHFFFAOYSA-N 443.569 2.728 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 248320079 RNLHNQZTFSGCCQ-PXBRLVMASA-N 426.513 2.743 0 40 IFAB COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(C(=O)Cc3ccc(C)cc3)C2)cc1 306139596 TVOOTFVPLKGDGR-RUZDIDTESA-N 430.508 2.739 0 40 IFAB Cc1cc(I)cc(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)c1 561327792 XAMVXESHEZRHLY-AWEZNQCLSA-N 436.315 2.598 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)C(C)(C)OC)CCO2)C1=O 643556597 MEKPWLLICDZEBV-DEOSSOPVSA-N 432.561 2.663 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CN(C(=O)c1ccccn1)C2 1549168103 TXQKRQSZPFXEEC-OAQYLSRUSA-N 432.524 2.547 0 40 IFAB Cc1cc(C)n2nc(C(=O)N3CC[C@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@@H]43)nc2n1 2087154449 YSQYOGPFLJUEGD-ZFWWWQNUSA-N 431.422 2.506 0 40 IFAB O=C(c1ccccc1)N1CCC(c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)CC1 1324851 RQZCJGQTRNYBMX-UHFFFAOYSA-N 432.459 2.722 0 40 IFAB COc1cccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 2346710 RXQQDMVTKMBERB-UHFFFAOYSA-N 438.538 2.974 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3246672 ONCKYQIADQTIHV-RDTXWAMCSA-N 441.505 2.916 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3515940 ZZJVVWWWHGABEF-VIFPVBQESA-N 447.296 2.833 0 40 IFAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 8719006 FCRBENXZCYFOQO-UHFFFAOYSA-N 431.464 2.902 0 40 IFAB CC1(C)CCc2c(cc(OCC(=O)N3CCC[C@H]3C(=O)O)c3c4c(c(=O)oc23)CCC4)O1 8876959 RPAMUZAJCQTBKA-INIZCTEOSA-N 441.480 2.840 0 40 IFAB biogenic O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 9061068 NUDFDUMBRMRBAI-OEMYIYORSA-N 429.398 2.703 0 40 IFAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccccc2)cc1 9126738 FTXZVRPEPLAAPG-UHFFFAOYSA-N 429.480 2.800 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(OC)c(OC)c2)C[S@@](=O)C3)cc1 9413240 VMPZBSDSWMHNDM-HKBQPEDESA-N 441.509 2.842 0 40 IFAB COc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(F)c4)n3n2)cc1 9568982 OXTDBILXDMWMEF-UHFFFAOYSA-N 439.472 2.903 0 40 IFAB COc1cc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc(OC)c1 11666418 UOESVJAHRHDKKL-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB O=C(CSc1ccc(NC(=O)c2cccs2)nn1)NCc1ccc2c(c1)OCO2 11739440 IBCPBXWVIHSUPV-UHFFFAOYSA-N 428.495 2.928 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccc(F)cc3)CC1)NC2=O 12086535 WXUPZCULPWAEGB-VOIUYBSRSA-N 438.503 2.703 0 40 IFAB Cc1cc(C)cc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)SCC3)c1 12140567 IXAKEORFVDVIAW-MRXNPFEDSA-N 431.583 2.885 0 40 IFAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(S(=O)(=O)CC)C1 12156718 NRFPUAWEXXZEHZ-YLJYHZDGSA-N 426.510 2.704 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCN(S(=O)(=O)c4cc(C)ccc4OC)C3)nn2c1O 12255150 IDVPIAQRRPVFLV-OAHLLOKOSA-N 430.530 2.801 0 40 IFAB COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 12520548 SUCNSQZWGMKELD-NZQKXSOJSA-N 432.524 2.991 0 40 IFAB Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc12 12753451 KENBZDNIWQWSAE-UHFFFAOYSA-N 438.962 2.743 0 40 IFAB Cn1c(=O)c2cc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cnc2n(C)c1=O 12778376 WRMMLRKFGBZDPV-UHFFFAOYSA-N 441.900 2.585 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3sc4ncn(C)c(=O)c4c3C)ccc21 12810975 FZCYAQISMDAOKZ-GFCCVEGCSA-N 439.493 2.641 0 40 IFAB COC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)sc(C)c1C 12928755 RBKWOUUBEOGKDS-UHFFFAOYSA-N 438.527 2.613 0 40 IFAB CCOc1ccc(-c2cc(C(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)no2)cc1OCC 13733530 QVKVNJSYDPXSGA-UHFFFAOYSA-N 436.424 2.921 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nc(C(=O)Nc3ccc(C)cc3)ccc2=O)cc1 15884317 IBYICLIHMXIVIL-UHFFFAOYSA-N 434.452 2.619 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(C)cc1 17102211 LAQKGFKJWVBQDK-NHCUHLMSSA-N 438.503 2.663 0 40 IFAB O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 17178836 OHBPELYTYCLOIZ-GOSISDBHSA-N 446.550 2.721 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C4CCOCC4)[nH]c(=O)c3C2)s1 19217034 ZJOWKEUYDVGASR-GOSISDBHSA-N 428.558 2.654 0 40 IFAB COc1ccccc1CN1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1 19570670 UMFLOZBOMYLQFP-LJQANCHMSA-N 436.556 2.843 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)s1 19705807 MMMGBAILJPYTAZ-UHFFFAOYSA-N 427.574 2.562 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2CC(=O)Nc2ccccc2F)n1 19709781 VFYCUXAFIRITGU-IBGZPJMESA-N 428.512 2.801 0 40 IFAB Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCN2CCOCC2)c2ccccc21 20229510 MBHFTFMTYPZQBT-NKFKGCMQSA-N 446.551 2.788 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)c(OC)c1)S(C)(=O)=O 22252053 JAIOFRMESXIYCC-UHFFFAOYSA-N 438.502 2.759 0 40 IFAB COC(=O)C1CCN([C@@H](c2ccc(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1 23157094 ZZBIIPBTRPYTET-KRWDZBQOSA-N 446.529 2.796 0 40 IFAB Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 26263805 ODBPDVZHCMCABV-UHFFFAOYSA-N 445.522 2.619 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 27664403 MFKHXFHMYVBDGS-BXWFABGCSA-N 440.374 2.513 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 32809396 IKGQDVYUSWXRCM-YADHBBJMSA-N 434.496 2.971 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1 32868733 ALMNYUSTXOXAEO-UHFFFAOYSA-N 434.445 2.762 0 40 IFAB CN(c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 32911174 RNSLGMIMAOMROE-SFHVURJKSA-N 438.933 2.839 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ncc(C)s3)c2)CC1 34892373 VSDYTEMDYSQKMI-UHFFFAOYSA-N 428.967 2.683 0 40 IFAB CCOC(=O)N1CCN(S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 36360942 BNPAIGMDDHFVNF-UHFFFAOYSA-N 426.926 2.605 0 40 IFAB CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1)C(=O)OC 36593653 QATGDIKBGJSNQD-VIZZQPHQSA-N 430.505 2.672 0 40 IFAB biogenic COc1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44907155 JGLJAXVPUCSJCE-LJQANCHMSA-N 438.933 2.625 0 40 IFAB O=C(c1ccc(CN2CCOCC2)o1)N1CCC(c2ncncc2-c2ccncc2)CC1 57729268 GTWAEVZYBFTELT-UHFFFAOYSA-N 433.512 2.984 0 40 IFAB CC(C)CN(CC(F)(F)F)C(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 58910309 QNCHMPDAEFZVDU-AWEZNQCLSA-N 431.480 2.894 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)N2CCCC2)cc1 61719472 MIYPIQCENXNIPP-OAQYLSRUSA-N 449.511 2.945 0 40 IFAB CC(=O)N1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1 64789648 RBJKCXGMOBNFNC-UHFFFAOYSA-N 429.473 2.982 0 40 IFAB Nc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(-n2cnnc2)c1 70461838 RPKMWASUIUWREM-UHFFFAOYSA-N 427.306 2.574 0 40 IFAB COc1ccc2[nH]cc(CCNS(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)c2c1 72307367 LQWPTCWJJYROIZ-UHFFFAOYSA-N 435.889 2.682 0 40 IFAB CS(=O)(=O)NC1=NC2=NC(c3ccc(Br)cc3)=C[C@H](c3ccccc3)N2N1 100486424 DMGGJCYYAQOUKF-MRXNPFEDSA-N 446.330 2.626 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020396 KDLLZBQBJKFOFS-CEXWTWQISA-N 425.529 2.724 0 40 IFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220240476 DKRYYVNWTDNMDG-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB O=C(NC[C@@H]1CC[C@@]2(COCCN(Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 306138340 RVFKEFGKCGWNJA-GBXCKJPGSA-N 438.503 2.882 0 40 IFAB CCOCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408545305 KDROJZHCMGLCBZ-UHFFFAOYSA-N 436.530 2.685 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 408593257 NCFCQQNIUSUDIF-QGZVFWFLSA-N 441.528 2.995 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)C2CCCCC2)cc1 408637079 XBNPVLKGAXJGOO-UHFFFAOYSA-N 448.589 2.812 0 40 IFAB CC(C)(C)CC(=O)N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O 514288972 LSXIRCPXQWYCHH-CMKODMSKSA-N 443.510 2.508 0 40 IFAB biogenic,in-vitro Cc1cc(O[C@@H]2CCCN(C(=O)CN3CCN(c4ccccc4F)C3=O)C2)nc(C)n1 575608998 IARADBOWWCPPKH-QGZVFWFLSA-N 427.480 2.545 0 40 IFAB Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)c1 585286056 HDYIIFLKKJDPJT-AREMUKBSSA-N 440.584 2.777 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@@H](N(C)c3ncccc3C(F)(F)F)C2)nc1C 1889197008 NAQPAMFVZAQYQD-CQSZACIVSA-N 431.484 2.915 0 40 IFAB CC(C)Cc1nc2ccccc2n1CC(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 2037880119 BJZKXNUYYQIWGV-XMMPIXPASA-N 439.535 2.917 0 40 IFAB COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(OCc2ccccc2)cc1 4108350 LNRRHEGBTGNKRX-BLRYILKCSA-N 426.465 2.651 0 40 IFAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(C[C@@H]5CCCO5)c(C)c(C)n34)n(C)c2=O)c1 6321607 OMBDCOXULRYZIL-IBGZPJMESA-N 435.528 2.610 0 40 IFAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cccc(C)c2nc1O 8680586 RBAYRKPIKNRBGG-WOJBJXKFSA-N 440.548 2.750 0 40 IFAB COc1ccc([C@H]2CCCCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 9314480 XDZVWWCNHUCIEU-LJQANCHMSA-N 428.533 2.898 0 40 IFAB COc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c(OC)c1 9348846 GQMSGQPEGXUWIW-HSZRJFAPSA-N 447.491 2.843 0 40 IFAB CCO[P@](=O)(O)c1ccccc1NCCNc1ccccc1[P@@](=O)(O)OCC 9354916 KLUSQVIDIKLAQL-UHFFFAOYSA-N 428.362 2.905 0 40 IFAB Cc1ccc(CN2CCCN(S(=O)(=O)CCn3ccc4ccccc4c3=O)CC2)cc1 9455813 PTMYCDPEJMCEFD-UHFFFAOYSA-N 439.581 2.848 0 40 IFAB Cn1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cn1 9467434 QFKJKJUSRKFYCA-UHFFFAOYSA-N 428.470 2.635 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 9631447 WBFAMVOCVIQJOW-UHFFFAOYSA-N 447.601 2.988 0 40 IFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O 9741892 FQHRCTLGOYJXGZ-KOSHJBKYSA-N 433.464 2.516 0 40 IFAB CCn1c(SCC(=O)N2CCCc3ccccc32)nc2cc(S(N)(=O)=O)ccc21 9952523 UOUXLNWWMKWPEM-UHFFFAOYSA-N 430.555 2.775 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 10188046 QHIYARHUHFBWCR-UHFFFAOYSA-N 430.482 2.817 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccccc2)n2nnnc2N1 10231978 SGKQOYZHISWCNY-MRXNPFEDSA-N 440.257 2.761 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 10302823 LXLLKJDFOYBVHM-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB COc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2nccn2C)cc1 10322949 YAGWXHBQVHQJJW-FQEVSTJZSA-N 442.541 2.635 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 11858096 ATEWOHCVGBUVPJ-UHFFFAOYSA-N 448.444 2.881 0 40 IFAB CN1CCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)CC1 12089321 YXGFLFDNFYMYNN-HXUWFJFHSA-N 443.555 2.705 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCN(S(=O)(=O)c4cc(C)ccc4OC)C3)nn2c1O 12255155 IDVPIAQRRPVFLV-HNNXBMFYSA-N 430.530 2.801 0 40 IFAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12584558 ONLNHPCRLHZHRB-AATRIKPKSA-N 437.550 2.723 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cccc(-n2cnnn2)c1C 12791945 FGGUVAOFLFJHHT-UHFFFAOYSA-N 445.409 2.615 0 40 IFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12876006 HVSLZHXHMOIFPG-NJGYHNCTSA-N 428.510 2.743 0 40 IFAB COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)cc1 13662629 XLZQYVWQWWHKCN-UHFFFAOYSA-N 446.479 2.941 0 40 IFAB O=C(CNC(=O)C(=O)NCc1ccco1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 14169756 NTIIZQPOYXBMRH-FQEVSTJZSA-N 425.872 2.571 0 40 IFAB O=C(Nc1ccccc1N1CCCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15356795 LYFPGJBCZACNPI-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1cccc(F)c1)NCc1ccccc1 17179207 NVZKNBGCHKWYLL-UHFFFAOYSA-N 428.489 2.562 0 40 IFAB COc1cc(CCC(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)on1 19288935 ZMYIXWISCVUCFR-UHFFFAOYSA-N 441.507 2.936 0 40 IFAB COc1cccc(CN2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)c1 19701368 OUFWNTVOHSTHLZ-UHFFFAOYSA-N 428.577 2.702 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CN3CCC(c4ccccc4)CC3)C2)nc2c1CCC(=O)N2C 19738789 RABNYKUOUKJRCF-OAQYLSRUSA-N 447.583 2.890 0 40 IFAB COC(C)(C)C(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccn2)C(=O)CC3)CC1 19739317 XUKMKPPFSUSRNY-UHFFFAOYSA-N 437.544 2.790 0 40 IFAB COCCNC(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19740452 BOVFVNBSRFNNQG-FQEVSTJZSA-N 443.592 2.544 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCCSCc2ccccc2)S(=O)(=O)N(C)C)c1 20244667 FVBOLVICNLDYPO-UHFFFAOYSA-N 435.615 2.966 0 40 IFAB NC(=O)CCc1nnc(SCc2ccccc2Br)n1C[C@H]1CCCO1 23369013 ZOVAVCSXGDMCLS-CYBMUJFWSA-N 425.352 2.930 0 40 IFAB O=c1c(Cl)c(N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cnn1-c1ccccc1 32927381 ILPLMZGUYTWXCN-UHFFFAOYSA-N 447.930 2.789 0 40 IFAB CCN(C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCCCC1 34889298 YPMDOTPRPQKKRQ-QGZVFWFLSA-N 425.570 2.702 0 40 IFAB C[C@H](NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 36450889 ILTPGDMTGGGGPU-GAJHUEQPSA-N 449.507 2.594 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1C 44885975 KISUJBQJANTNJG-UHFFFAOYSA-N 437.493 2.562 0 40 IFAB C[C@@H](NCC(=O)NCCSc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1 49609535 RAFQSOHWNCEOLP-CYBMUJFWSA-N 427.979 2.547 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 57414408 NYAPYTYCBJIEAJ-HSZRJFAPSA-N 434.540 2.988 0 40 IFAB C[C@@H]1CN(c2ccc(NC(=O)NCc3ccc(-n4cncn4)nc3)cc2F)C[C@@H](C)O1 57853907 AFUUPIKGAVBBNT-HUUCEWRRSA-N 425.468 2.737 0 40 IFAB CCCN1CCC(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 58162610 XEWYNQYWHJLPIH-GOSISDBHSA-N 427.636 2.695 0 40 IFAB O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cn2cccnc2=O)c1 58195507 DFDHCDIHRKMDJU-UHFFFAOYSA-N 446.916 2.540 0 40 IFAB COC[C@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1 67870920 DLVSOWXNCQACSU-BZRIBIQUSA-N 445.677 2.860 0 40 IFAB biogenic,in-vitro COCCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)C3)CC1 72371955 KISQUXCGFLPGHS-UHFFFAOYSA-N 438.528 2.625 0 40 IFAB CN1C(=O)c2cccc3c(S(=O)(=O)N4CCC[C@@H]4C(=O)Nc4nccs4)ccc1c23 83881757 YTANPVCKTYYYNF-OAHLLOKOSA-N 442.522 2.678 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 89873298 NAVXFKWIQQMSFI-UHFFFAOYSA-N 435.889 2.671 0 40 IFAB COc1cc(I)c(C(=O)N(CCC(=O)O)CC2CC2)cc1OC 95969869 SRINTWMQJIWUPO-UHFFFAOYSA-N 433.242 2.635 0 40 IFAB CC(=O)N1CC2(CCCCC2)c2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)ccc21 96091719 RNKBHFPLTIJAEA-JOCHJYFZSA-N 439.556 2.718 0 40 IFAB O=C(Nc1nc2c(s1)CN(C(=O)CCn1cnc3ccccc3c1=O)CC2)c1ccoc1 96096382 JFESOYZPZJRNHA-UHFFFAOYSA-N 449.492 2.673 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(Cl)cc4)no3)C2=O)c1 101277526 JRQRILOGTYYZQE-SJORKVTESA-N 438.831 2.892 0 40 IFAB CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2O1 219990474 LZLQCBSEGTUHLA-LJQANCHMSA-N 430.526 2.740 0 40 IFAB CCc1ccc(CC)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 225240076 QKGCWJLGTKDMRL-UHFFFAOYSA-N 434.558 2.766 0 40 IFAB CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccccc3C(F)(F)F)CCN2C)c1 257221833 DQSDTIPBUKRWFV-LJQANCHMSA-N 434.462 2.992 0 40 IFAB CCN(CC)S(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)C3)C1 257288145 PTARXXDLVVNVIE-GOSISDBHSA-N 449.621 2.630 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(=O)N1CCCC1 408612831 ZCPRWRZAHZDMMP-UHFFFAOYSA-N 427.570 2.738 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2 408705946 QWTFVKLVJYCRNS-UHFFFAOYSA-N 441.303 2.973 0 40 IFAB CCc1nnc(SCC(=O)Nc2c(C)cc(I)cc2C)n1N 409005928 HGAFWROLABGTCI-UHFFFAOYSA-N 431.303 2.507 0 40 IFAB O=C(NCc1ccccc1-n1cccn1)C1(S(=O)(=O)c2ccccc2)CCOCC1 579756223 BZPRUFMLRQCGRE-UHFFFAOYSA-N 425.510 2.512 0 40 IFAB O=C(c1cccc2ccccc12)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549162938 YLMUCMAKHFGGHA-NRFANRHFSA-N 433.508 2.888 0 40 IFAB COCC(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CC[C@@H](C1)N2Cc1cccnc1 2037942804 FCGSTDRYFCMRGI-PKTZIBPZSA-N 436.556 2.846 0 40 IFAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccsc2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241902 FPJTUIUQWKYPLS-UYWIDEMCSA-N 440.569 2.524 0 40 IFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3OC)ccc12 2712392 QWFDSJAVIRIFTG-UHFFFAOYSA-N 430.844 2.854 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCCOc2ccc(Br)cc2)cc1 3294006 HVFDHPYEKBUVMI-UHFFFAOYSA-N 428.304 2.658 0 40 IFAB O=C(OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCC2 3437445 CKNJMOMFIWDRFC-GOSISDBHSA-N 447.578 3.000 0 40 IFAB C[C@@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 4142600 XVDYAKZWFRVEBQ-ZBFHGGJFSA-N 431.583 2.716 0 40 IFAB CC(C)[C@@H](NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 5062879 ZAPMIDFJTRZCNZ-WOJBJXKFSA-N 443.569 2.841 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc([S@](C)=O)c(=O)cc1[C@@H](NC(C)=O)CC2 5574823 WPRGBKZCSCXZNE-BEIWTESXSA-N 431.510 2.600 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc([S@@](C)=O)c(=O)cc1[C@@H](NC(C)=O)CC2 5574826 WPRGBKZCSCXZNE-DFYVNMARSA-N 431.510 2.600 0 40 IFAB COCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3C(=O)N2C1 8296962 NBSGCURKCVFQBW-YJBOKZPZSA-N 447.413 2.670 0 40 IFAB biogenic,in-vitro CSc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 8936094 JVFPEWOTTVWQIX-QFIPXVFZSA-N 441.509 2.976 0 40 IFAB COc1ccc(CC(=O)NCCn2ncc3c(N4CCCC4)nc(SC)nc32)cc1 8946769 YMTPTMFPUQYDHV-UHFFFAOYSA-N 426.546 2.516 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2ccccc2Br)o1 9051056 KXBIEVIVYLXMBC-UHFFFAOYSA-N 441.351 2.964 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(Cc2ccccc2F)CC1 9062696 NPTASXCRECFHGB-UHFFFAOYSA-N 445.560 2.877 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)cc1C 9974594 DBDCJRHZBAVQBL-GOSISDBHSA-N 432.542 2.729 0 40 IFAB Cc1[nH]c2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2c1C 9990716 KRYWCAUEIYDICI-UHFFFAOYSA-N 433.555 2.797 0 40 IFAB CN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)CSc2nnc(N)s2)c2ccccc21 10157793 LEXSMXLYFLMXAM-FQEVSTJZSA-N 439.522 2.605 0 40 IFAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc(OC)c1OC 11667744 YWJJTROVALECIW-UHFFFAOYSA-N 433.530 2.892 0 40 IFAB O=S1(=O)CC[C@H](n2nc(-c3ccco3)cc2NS(=O)(=O)c2cccc(Cl)c2)C1 11795895 NYSFDBGFODLASS-ZDUSSCGKSA-N 441.918 2.957 0 40 IFAB Cc1ncsc1C(=O)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2S(C)(=O)=O)C1 12132907 UNLOFYYFCXXHNT-OAHLLOKOSA-N 443.554 2.727 0 40 IFAB CCSc1ncc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cn1 12276123 AWVMBHQWFYRUQS-UHFFFAOYSA-N 443.598 2.901 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N[C@H](CO)C(C)C)cc3s2)cc1 12324089 OSJPHXBPLVHJEK-QGZVFWFLSA-N 449.554 2.852 0 40 IFAB CSc1nc2nc(C)c(CC(=O)Nc3ccc(C(=O)c4nccn4C)cc3)c(C)n2n1 12506138 HEELPSLNZTYVTF-UHFFFAOYSA-N 435.513 2.609 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)NC(=O)c1cccs1 12554759 FPNNEKCOANMCLY-UHFFFAOYSA-N 439.584 2.757 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12781164 UJTHHYBOPRSIFI-RCRSHMOFSA-N 448.585 2.679 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(Cl)cc1Cl 12991619 BFCIRQIETSRPHY-UHFFFAOYSA-N 430.313 2.578 0 40 IFAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 13003862 JLVHDVJPZMJNFU-VIFPVBQESA-N 431.850 2.824 0 40 IFAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)NC(=O)NC3CCCC3)n2N)c1 13112961 LWANKCSOIOOGQQ-UHFFFAOYSA-N 446.577 2.863 0 40 IFAB COc1ccc(C2=NO[C@H]3[C@H]4C[C@@H]([C@@H]23)[C@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]42)cc1 13722479 ZGOYGPMYIGGZBU-OJMNFPMESA-N 446.459 2.795 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2 14401610 OTMDWNMAIGZQTR-UHFFFAOYSA-N 441.303 2.973 0 40 IFAB O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 14849030 DAGWJIHOKZNYIE-UHFFFAOYSA-N 425.860 2.881 0 40 IFAB O=C1N[C@H](c2cccc(Br)c2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 15906049 PIAWJZCYXTZLCX-IOASZLSFSA-N 444.207 2.948 0 40 IFAB COc1ccc(CNC(=O)c2cn(C)c3c(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]c23)cc1 17149024 YIUXFGGDJARFRM-UHFFFAOYSA-N 438.871 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)cc1 19289942 YKOMLCXOENCTLP-UHFFFAOYSA-N 446.594 2.809 0 40 IFAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2cccnc2)CC1 19699310 QHNJYYHYNWNFPU-UHFFFAOYSA-N 447.583 2.675 0 40 IFAB CC[C@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)cc1 20456758 QJJISMRLXCSYBO-KXBFYZLASA-N 448.541 2.888 0 40 IFAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)N1CCc2sccc2C1 22381924 JLSIRQNSMSVOLD-SFHVURJKSA-N 444.553 2.813 0 40 IFAB CCOc1ccc(CN2CCN(CN3C(=O)NC4(C3=O)[C@@H](C)CCC[C@@H]4C)CC2)cc1 22929827 AYWFUCMFKXESGH-OALUTQOASA-N 428.577 2.907 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30946582 WXXHLNVTCSEQQW-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)OCCO2 31288972 OGLLCPCMBQTPBU-WMZOPIPTSA-N 430.526 2.736 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)CCO2 31342896 XPBLEJKQGFMUFX-UHFFFAOYSA-N 425.304 2.691 0 40 IFAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 32913077 LGERGEKGUUEUFV-KRWDZBQOSA-N 436.578 2.583 0 40 IFAB CC1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 44843597 WQFJTBVUGLQQPL-HSZRJFAPSA-N 449.661 2.899 0 40 IFAB CCOc1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 44905217 PMCBBWXNRLMYNT-HXUWFJFHSA-N 448.541 2.718 0 40 IFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 58403076 XZJCJEVZFAEKST-QZTJIDSGSA-N 429.473 2.564 0 40 IFAB CCN(CC)CCCNC(=O)C1CCN(c2cc(C)nc3nc(C(F)(F)F)nn23)CC1 58913312 BKAURCUBCWPKMM-UHFFFAOYSA-N 441.502 2.516 0 40 IFAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 69569927 KCGHMMOJZYXEQA-KYLIDDIDSA-N 445.541 2.829 0 40 IFAB Cc1noc(C)c1CN1CCN(C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)O)CC1 71280397 QUCMSCOCJWXLPF-MRXNPFEDSA-N 434.924 2.792 0 40 IFAB C[C@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F 72312590 NLMAQRYIRQMXGR-PRWKNARSSA-N 449.385 2.944 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340236 CEFIGYGDDALBDP-XXPWESIGSA-N 430.520 2.940 0 40 IFAB Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(C3CC3)n2Cc2ccccc2)cc1F 79024199 LKELUDCBCSGHIC-UHFFFAOYSA-N 442.516 2.741 0 40 IFAB COC(=O)c1nc(NC(=O)[C@@H](C)n2nnc3ccccc3c2=O)sc1-c1ccccc1 95476987 ZJZQDYVGYSEHMP-GFCCVEGCSA-N 435.465 2.901 0 40 IFAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)C1CCN(C(=O)c2ccccc2)CC1 96007009 UGIBKTXPGLZFFC-XMMPIXPASA-N 435.568 2.812 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccc(Cl)cc3)C2=O)cc1Cl 100036649 QBRZKIPRXBMFQC-MSOLQXFVSA-N 446.294 2.911 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4C)[C@H]3C2=O)cc1Cl 101168771 NZNOGCTUPMFIKR-ZWKOTPCHSA-N 427.848 2.589 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c1 101387422 UALHWNPGGNHCJV-DLBZAZTESA-N 429.889 2.994 0 40 IFAB CCN1C(=O)C[C@H](N2CCN(c3ccc(C(=O)c4cccc(Cl)c4)cc3)CC2)C1=O 103462970 BPBSJVIPXDYRGD-FQEVSTJZSA-N 425.916 2.840 0 40 IFAB COc1cc(N(CC(=O)NCc2ccc(C)cc2)S(C)(=O)=O)c(OC)cc1Cl 220054740 LSMRNOLVWKHWOL-UHFFFAOYSA-N 426.922 2.748 0 40 IFAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220653074 PCAQOARTZVHXED-HXUWFJFHSA-N 434.558 2.997 0 40 IFAB CCOc1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 224998052 JKHYEWUXNRLDBD-UHFFFAOYSA-N 448.541 2.686 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 247999640 RXPQJVLPFUDFDU-AOSWFRPUSA-N 432.952 2.899 0 40 IFAB Cc1nonc1CNC(=O)[C@]1(C)CCCCN1C(=O)CCn1ccnc1-c1ccccc1 257257952 KRTAQLNXFYTFHO-QHCPKHFHSA-N 436.516 2.719 0 40 IFAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(O)nc(N)n1 257320035 VVBIULWBPABYNR-IKVZYYAVSA-N 449.555 2.770 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3cc(C)ccc3C)C2)cc1 260892267 XGFLITLUZCDLQD-IBGZPJMESA-N 446.569 2.908 0 40 IFAB O=C(NCc1cccc(F)c1)[C@H]1CCc2nnc([C@H]3CCN(C(=O)c4ccccc4)C3)n2C1 306123886 AZOYDSCBJJVAHE-PMACEKPBSA-N 447.514 2.926 0 40 IFAB CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408596104 RFUMYRSYHQPMMC-UHFFFAOYSA-N 429.586 2.883 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 408654034 JDKYISWLQUWRRX-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103857 RYCOFLDPJGNTNY-OAQYLSRUSA-N 436.556 2.984 0 40 IFAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccsc1)C2 585106692 FMBOKMFEZDGEEE-XMMPIXPASA-N 449.580 2.949 0 40 IFAB Cc1cc(O)c(-c2ccc3c(O)nc(=O)n(CCc4c[nH]c5ccccc45)c3n2)c(=O)o1 1547205783 GKCFYXQPYICWPD-UHFFFAOYSA-N 430.420 2.855 0 40 IFAB biogenic CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(C(=O)c1ccncc1)CC2 1549168299 URJOMLUHDVKKRN-JOCHJYFZSA-N 446.551 2.937 0 40 IFAB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 1077700 GXVGIPGYMOLXTQ-INIZCTEOSA-N 430.917 2.831 0 40 IFAB COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC4)CC(=O)N32)cc1 2122713 FMGUJKLXQXGZDI-REWPJTCUSA-N 429.476 2.802 0 40 IFAB biogenic CCOc1cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OCC)c1OCC 8973449 FVYLFLRUBJERMQ-UHFFFAOYSA-N 428.533 2.883 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)cc2)cc1 9238689 GNOZNLOLQBTFKV-RTBURBONSA-N 425.514 2.679 0 40 IFAB C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9243218 ZVVFSAHWGGKREE-QGZVFWFLSA-N 447.514 2.783 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3C(C4=Cc5ccccc5O[C@H]4C)=NO[C@H]3C2=O)cc1 9305772 MMNWRIGYIGYZRW-JBZDTAIVSA-N 432.432 2.972 0 40 IFAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 9351769 KQFSVUSHXCLNGP-AWEZNQCLSA-N 435.546 2.571 0 40 IFAB Cc1c(NC2=NN=C(c3ccc4c(c3)CC(=O)N4C)CS2)c(=O)n(-c2ccccc2)n1C 9548902 XUKOLMZXQLQBLQ-UHFFFAOYSA-N 446.536 2.922 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 9746929 KUVXQFFYPNKICU-KRWDZBQOSA-N 441.619 2.637 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccc(F)c(F)c1 9761911 BRSJQFXLCVBFHY-UHFFFAOYSA-N 447.369 2.844 0 40 IFAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849267 JRWNKFJFWWZSER-UHFFFAOYSA-N 439.401 2.590 0 40 IFAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 9867378 QXJWVNOYHBIIGV-KOSHJBKYSA-N 437.496 2.533 0 40 IFAB Cn1c(=O)c2c(-c3ccc(Br)cc3)n(Cc3ccccn3)cc2n(C)c1=O 12428132 AHMKWCIENLGPLM-UHFFFAOYSA-N 425.286 2.912 0 40 IFAB CC1(C)Cc2cccc(OCCCS(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c2O1 12440570 UQLPYXIDLPXQAC-UHFFFAOYSA-N 448.541 2.550 0 40 IFAB O=C(NCCc1cccs1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 12584541 SPHCBHOZWAZQGG-UHFFFAOYSA-N 442.522 2.691 0 40 IFAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 12986134 UQSQSHWEPDKVKR-CQSZACIVSA-N 442.563 2.691 0 40 IFAB COc1ccccc1N1C(=O)C[C@H](Sc2cccc(NC(=O)/C=C/C(=O)O)c2)C1=O 13576375 AOJWVGMHKJHXKK-FVNWOWOISA-N 426.450 2.699 0 40 IFAB CC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716727 NOPIZPTZKNYWIK-GOSISDBHSA-N 444.557 2.677 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14161487 YMVKXLSTWRZNLA-UHFFFAOYSA-N 438.914 2.655 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14254929 CUXJUHBHNKJEMW-UHFFFAOYSA-N 446.422 2.756 0 40 IFAB COc1ccc(CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 15034331 CGOFKQYCZJQXQD-UHFFFAOYSA-N 448.516 2.660 0 40 IFAB CCOC(=O)c1c(N)nn(C(=O)C(C)(C)C)c1NS(=O)(=O)c1ccc(Cl)cc1 16683059 ZYBHXBCDPWFIEH-UHFFFAOYSA-N 428.898 2.783 0 40 IFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccnn2C)C1 19529946 LVPGVZVLKHKWHW-FDDCHVKYSA-N 442.491 2.928 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1 22228825 CTOJQSKIBVUKFZ-UHFFFAOYSA-N 449.960 2.812 0 40 IFAB CCOCCCNC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232769 STRQTAVUHBKPOV-UHFFFAOYSA-N 438.521 2.714 0 40 IFAB CCCn1c(SCc2cc(=O)n3c(C)csc3n2)nc2cc(S(N)(=O)=O)ccc21 23044381 VGYAIICOAGFUKS-UHFFFAOYSA-N 449.583 2.764 0 40 IFAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 26991417 MPXUODXQKFHAQK-UHFFFAOYSA-N 441.431 2.672 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1C 30592131 BMWLHQVHUFIYDZ-UHFFFAOYSA-N 440.569 2.663 0 40 IFAB C[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(F)cc1 32825618 BDXFUTFZUPJDLX-VIFPVBQESA-N 429.267 2.959 0 40 IFAB COc1ccccc1OCCNC(=O)[C@H](CCSC)NC(=O)COc1ccccc1 32999720 XMEVCMXGQSCNPJ-SFHVURJKSA-N 432.542 2.507 0 40 IFAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 35684845 BGHYCHLCKCRBED-MRXNPFEDSA-N 425.470 2.677 0 40 IFAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(Cl)cc3)c(=O)n12 35982219 AJQGTQBEYHJKPB-MYZHFFDJSA-N 440.908 2.512 0 40 IFAB COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)c(F)c4)c(=O)n3c2)cc1 48986063 BILLXFFSTDBURX-UHFFFAOYSA-N 449.442 2.843 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](c2ccccc2)C2=C1COC2=O 49402821 IPSWWEQATFCPTJ-LJQANCHMSA-N 427.844 2.865 0 40 IFAB CC(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945426 GYXUMHVXVQUPBG-FQEVSTJZSA-N 430.524 2.561 0 40 IFAB CCn1nc(C)c2nc(SCC(=O)NCc3ccco3)n(Cc3ccco3)c(=O)c21 64817457 BBJKZOMZSCVWOT-UHFFFAOYSA-N 427.486 2.564 0 40 IFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C[C@H](CC(=O)O)c2cccs2)CC1 90607345 OALWSFDXQDXAMP-CQSZACIVSA-N 436.559 2.525 0 40 IFAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1OC 219983051 QXLOWXLAJKLLPE-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220362109 ITJOVLZIYRHJBH-CQSZACIVSA-N 430.954 2.605 0 40 IFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223158301 GPLIYLBCTSKXPQ-UHFFFAOYSA-N 427.526 2.926 0 40 IFAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223769283 PUEBXIAGXPHGJP-UHFFFAOYSA-N 448.541 2.542 0 40 IFAB CN(c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1)S(C)(=O)=O 225064578 JABNYDFGPDLXEE-UHFFFAOYSA-N 425.919 2.902 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 260895261 HMYIBQYEJLPYPQ-MOPGFXCFSA-N 446.569 2.988 0 40 IFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390830780 NJHVFQQIAXOACG-GOSISDBHSA-N 425.576 2.631 0 40 IFAB CN(Cc1ccccc1)C(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408606247 HSZBDWWBVHIULU-UHFFFAOYSA-N 425.348 2.869 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 409027298 GEJZXUSUTJLKAR-UHFFFAOYSA-N 444.553 2.992 0 40 IFAB NC(=O)Nc1ccc(-c2noc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 545016479 LEWHCKCKVISINP-UHFFFAOYSA-N 441.513 2.993 0 40 IFAB O=C(NCCO)c1ccc2c(c1)CNCCCCCCCN2C(=O)COc1ccccc1 643583755 KNFKAWXRHKBAPR-UHFFFAOYSA-N 439.556 2.874 0 40 IFAB CC[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1694185835 ZWSJHLFXLVIBTQ-MRXNPFEDSA-N 430.578 2.754 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)[C@H](C)Oc4ccccc4F)CC3)n2)n1 1775971108 WDWDUSZYZHDRIB-KRWDZBQOSA-N 439.491 2.816 0 40 IFAB NC(=O)CSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 1243739 JSOPDTRFXVBPEU-UHFFFAOYSA-N 439.566 2.805 0 40 IFAB COc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1OC 2643050 JIYWZLAIQIRVKQ-RZMWGWOTSA-N 442.537 2.862 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1cccnc1Cl 3372768 KCYULLIYNBGFLZ-UHFFFAOYSA-N 439.811 2.920 0 40 IFAB COCCNc1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)s1 3436661 QZYINMNJJILPBE-UHFFFAOYSA-N 428.561 2.664 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2F)c1 8687784 MKSVJFKHLCXGMT-UHFFFAOYSA-N 449.548 2.874 0 40 IFAB CS(=O)(=O)c1ccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 8718589 RPYPMAZHNVYNPV-UHFFFAOYSA-N 448.500 2.768 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 9095640 MMBFTNOUXMNPML-INIZCTEOSA-N 448.545 2.785 0 40 IFAB COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 9297154 VWRTUQRRDQSJHD-GFCCVEGCSA-N 443.891 2.567 0 40 IFAB COc1ccc(Cn2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 9533257 UWDOFSMIBPFBAS-CQSZACIVSA-N 438.513 2.586 0 40 IFAB Cc1ccc([C@H](C)NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C 9777690 GZEUNQXNDAIZKY-KRWDZBQOSA-N 449.598 2.689 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 10076372 YDRBXSPKQPILDS-UHFFFAOYSA-N 439.497 2.908 0 40 IFAB Cc1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1I 10930070 CQFZXCQGAFCZJG-UHFFFAOYSA-N 425.255 2.953 0 40 IFAB Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)N[C@@H](C)c3cccs3)CC1)O2 12085688 VJYSNHLTFMZQPF-NYHFZMIOSA-N 427.526 2.765 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@H]1CCCN(C(=O)c2ccccc2F)C1 12232399 PMVFMGUOCKAYGK-HNNXBMFYSA-N 432.521 2.639 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 12556456 DGEVMSMFVUMSCK-SFHVURJKSA-N 426.536 2.996 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 12777379 WJGARZZDBHZUTD-IRXDYDNUSA-N 441.553 2.938 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 12871137 XDGUKDZBKAOWAO-UHFFFAOYSA-N 429.423 2.828 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 12979300 FPONEQIXMJVGLG-UHFFFAOYSA-N 443.550 2.965 0 40 IFAB CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21 13610482 FTBRPNVBDSAWQA-UHFFFAOYSA-N 427.570 2.747 0 40 IFAB COc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14578527 CDSMFCNPPACDDY-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc(-n2cncn2)cc1 14777485 MPQRBDRVBOSSRT-HNNXBMFYSA-N 445.570 2.994 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)cc1OC 16084714 IYXRFJXEPYSSJU-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 18047298 XGUORRHBOCQQIB-ICSRJNTNSA-N 429.517 2.818 0 40 IFAB CC(C)c1nc(N2CCC(NC(=O)c3cnc(N(C)C)nc3)CC2)ncc1-c1ccncc1 19451669 JNVMZWKTHWSYDM-UHFFFAOYSA-N 446.559 2.917 0 40 IFAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC(c3nnc4n3CCCCC4)CC1)C(=O)C2 19460789 UZPCJTQVFPYZHW-VGOFRKELSA-N 434.606 2.909 0 40 IFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19741443 BFGRXPXMQLDAJH-GOSISDBHSA-N 449.621 2.630 0 40 IFAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 19754022 FRWUBYLYOPDQOF-UHFFFAOYSA-N 449.530 2.908 0 40 IFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c2c1 20725935 CJHMINKXTCBRRJ-JOCHJYFZSA-N 440.475 2.698 0 40 IFAB CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 23421613 WAWQHKUBVNXNJB-UHFFFAOYSA-N 434.389 2.605 0 40 IFAB CC(C)[C@H](C)NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 26677940 AGQCPHFSMUJBSE-SFHVURJKSA-N 438.590 2.888 0 40 IFAB COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 28301721 YRMYGAUZOLNBQA-RMKNXTFCSA-N 431.441 2.925 0 40 IFAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)ccc1OC(C)C 33088106 KDABYADPSBIIFH-HNNXBMFYSA-N 433.472 2.888 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)nc(CN1CCOCC1)n2C 36358265 WQTINOYMHOCCMU-QFIPXVFZSA-N 438.484 2.704 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4cccc(C)c4)no3)C2=O)cc1OC 38487268 AXOPBPFEGRIBNL-MOPGFXCFSA-N 448.439 2.556 0 40 IFAB O=C(CSc1nnc(N2CCN(C(=O)CC3CCCC3)CC2)s1)NCc1ccco1 38666648 LQPTZRVXICIOMH-UHFFFAOYSA-N 449.602 2.769 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38835166 KEQSBQCWQIYJGU-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC 40309254 RTRXCFVUOVPMQV-FXAWDEMLSA-N 430.505 2.672 0 40 IFAB biogenic O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)Nc1ccc(Cl)c(Cl)c1 49408930 XQNGJEVSZGNYCW-UHFFFAOYSA-N 430.313 2.578 0 40 IFAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCc2ccc(C)cc2)c1=O 57490735 YETIAUBEQKZRFH-UHFFFAOYSA-N 435.505 2.847 0 40 IFAB Cc1cc(C)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 60625287 LJMWBZLHHYYBBG-CPNJWEJPSA-N 437.521 2.886 0 40 IFAB COc1ccccc1-n1ccn(CC(=O)Nc2ccc(C)cc2Br)c(=O)c1=O 67256493 GVIZTINNLCJDNU-UHFFFAOYSA-N 444.285 2.717 0 40 IFAB COc1ccc(CCNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)cc1OC 71768376 GUUFIZHPEXMRJP-UHFFFAOYSA-N 434.456 2.615 0 40 IFAB CCCOc1c(Br)cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1OC 72272937 RQXWKBYNOWRJHK-OAHLLOKOSA-N 442.398 2.860 0 40 IFAB Cc1cc(C)cc(C2(C(=O)N3CCC[C@H](c4ncc(C(N)=O)c(C)n4)C3)CCOCC2)c1 72345561 SWUQLHVGMAICTN-IBGZPJMESA-N 436.556 2.955 0 40 IFAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)CCCN3C(=O)CNC3=O)n2)sc1C 72375408 YTGMWMOVCJXJDW-MRXNPFEDSA-N 442.545 2.894 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@]1(CCCN(C(=O)CCCn3ccnc3)CC1)O2 72394800 VJVFIJRGMDIXGT-XMMPIXPASA-N 440.544 2.864 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCn1ccc2cc(Br)ccc21 72401556 ZTACKQSKHVVCAP-UHFFFAOYSA-N 425.286 2.999 0 40 IFAB CN(C(=O)CS(=O)(=O)Cc1cc2c(cc1Br)OCCO2)c1ccccc1 83869569 KRQMBAZWHHQLKD-UHFFFAOYSA-N 440.315 2.798 0 40 IFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2c(F)cccc2Cl)CC1 96143183 FXNNQGVGGYQOCH-QFIPXVFZSA-N 431.939 2.913 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)COc3ccc(OC)cc3)C2=O)cc1 96551265 QLCUIMLDNMHXPW-CPNJWEJPSA-N 442.493 2.935 0 40 IFAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccc(F)cc5)CC4)c3CO2)cc1 97943624 DBNQVCCEGIWQRS-OAQYLSRUSA-N 449.486 2.595 0 40 IFAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2 100080115 BYVPYJYHCMIHMK-KUHUBIRLSA-N 445.507 2.948 0 40 IFAB Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)cc1 219226127 GGMMZMCGXBSEHO-UHFFFAOYSA-N 426.498 2.959 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(=O)N1CCOCC1 222775302 ZZGHQQWQEJLGRR-UHFFFAOYSA-N 440.521 2.799 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1OC 222838953 BREYBENFVASBDK-UHFFFAOYSA-N 428.510 2.939 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)cc1 224803174 KRSDDSJGNZWAMD-UHFFFAOYSA-N 429.586 2.669 0 40 IFAB O=C(NCc1cccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225760000 FYDRHXCOSFIHJS-UHFFFAOYSA-N 443.550 2.761 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1OC 225795723 UFZNBOYHXSCUSX-INIZCTEOSA-N 434.558 2.996 0 40 IFAB Cc1nc2cc([C@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 257251340 JQJFUIHYSSIIOO-NRFANRHFSA-N 448.571 2.522 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 257340599 ZGVYYJIHQAGWEO-RPWUZVMVSA-N 435.568 2.726 0 40 IFAB Cn1nccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306138398 RWOVEYVEWGMJAN-UHFFFAOYSA-N 446.555 2.903 0 40 IFAB COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(C(=O)Cc3ccc(C)cc3)C2)cc1 306139597 TVOOTFVPLKGDGR-VWLOTQADSA-N 430.508 2.739 0 40 IFAB CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CCN(Cc1ccc(F)cc1)C2 306143707 YKBLLGMLTPPINK-HSZRJFAPSA-N 426.540 2.570 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408669485 WERFHGLNPCVQLG-PWDCEVBCSA-N 437.279 2.671 0 40 IFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Cl)C1=O 409202853 UALIZQDSSPAVSM-NVNXTCNLSA-N 428.894 2.546 0 40 IFAB O=C(c1c[nH]n2c1nc(=O)c1ccccc12)N1CCC(N2CCc3cc(F)ccc32)CC1 514054119 IEWXBNKNTUHHGE-UHFFFAOYSA-N 431.471 2.982 0 40 IFAB COCCNC(=O)c1ccc2c(c1)OCCCCCNC(=O)CN(Cc1ccccc1)C2 643572998 LVQBHMJNLVQTQU-UHFFFAOYSA-N 439.556 2.744 0 40 IFAB Cn1nc(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)ccc1=O 1889045503 NCJRLWMPVFZDPX-UHFFFAOYSA-N 426.480 2.805 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 2056223581 UHJWOGQAAGZPOA-QHCPKHFHSA-N 443.569 2.920 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1C 3391436 RMMGXSBJHGTGKC-LFVRLGFBSA-N 429.517 2.922 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1 9233304 BVMQBRJUIMNXPY-LICLKQGHSA-N 425.466 2.534 0 40 IFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccccn1 9469798 SCEPPSDACUFRPG-HNNXBMFYSA-N 439.493 2.780 0 40 IFAB COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 9664744 QEAUKIUXCRDYKO-UHFFFAOYSA-N 434.514 2.514 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 9743246 LWIGYQMBQSQXMY-GOSISDBHSA-N 433.505 2.514 0 40 IFAB CSc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10185577 NKLACIQAFAICPP-UHFFFAOYSA-N 445.610 2.842 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1 10707316 QYJSTROQPPKJTI-UHFFFAOYSA-N 429.542 2.571 0 40 IFAB CCn1c(=O)c(C(=O)CSc2ncccc2Cl)c(N)n(Cc2ccccc2)c1=O 11249086 VYTDIYVIOMCISG-UHFFFAOYSA-N 430.917 2.684 0 40 IFAB CSCC[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)O 11865485 DSAFWRSZUUPRHU-CQSZACIVSA-N 449.525 2.906 0 40 IFAB biogenic Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 12539546 HEFVVSIJOFKSOE-UHFFFAOYSA-N 440.905 2.637 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 12662038 SNQSUPOPEYJQED-UHFFFAOYSA-N 427.409 2.923 0 40 IFAB biogenic O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC(c2nnc3ccccn23)CC1 12681592 AMGOXIZYEKGPKE-UHFFFAOYSA-N 439.541 2.534 0 40 IFAB CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1C 12764871 PJZISLVWOFSUEG-UHFFFAOYSA-N 441.597 2.843 0 40 IFAB COc1cc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(OC)cc1Cl 12891009 YQAMLXDUQMUHRX-OAQYLSRUSA-N 429.860 2.905 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1 13501982 RECINVBIVPXXNI-UHFFFAOYSA-N 442.497 2.813 0 40 IFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14197454 TUGRZYGRCBWLTR-QFIPXVFZSA-N 440.887 2.873 0 40 IFAB CCOc1ccc(NC(=O)CSc2nncs2)cc1S(=O)(=O)N1CCCCC1 18975477 GBPGNKJHENMHNG-UHFFFAOYSA-N 442.588 2.842 0 40 IFAB CCCCn1nnnc1COC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl 19297280 PVFPCZDKIYDGOV-HNNXBMFYSA-N 425.942 2.722 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCCC3)[nH]c2=O)C1 19404930 BGPHZIVTWXEYGB-HXUWFJFHSA-N 435.528 2.607 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 19463433 VVKVLSORIMQOKI-OXFYSEKESA-N 426.561 2.945 0 40 IFAB CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 19499818 UOQXRQHILHJIBP-CABCVRRESA-N 428.558 2.782 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3csnn3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738969 LIPUPZHZQZGAAG-KRWDZBQOSA-N 448.552 2.788 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 20108708 RCYAMWXWSVYYFG-FQEVSTJZSA-N 449.960 2.524 0 40 IFAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(Br)cc4)sc3nc2=O)cc1 20233268 PSAQAFKNHRKBJK-GZTJUZNOSA-N 440.322 2.721 0 40 IFAB O=C(CN1CCN(CC(=O)NC2CCCCC2)CC1)Nc1ccccc1C(F)(F)F 20689962 YDECPPMMMCRKQK-UHFFFAOYSA-N 426.483 2.710 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nn(C)cc32)c(C)c1 21713970 HUIBJFWAQDIDSM-UHFFFAOYSA-N 431.496 2.509 0 40 IFAB CN(CCOc1ccc(Br)cc1)C(=O)CSc1ncnc2c1cnn2C 21754744 ALSMOXRDBIEDLI-UHFFFAOYSA-N 436.335 2.755 0 40 IFAB COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc(N(C)C)cc3)CC2)cc1 22925597 SLOBZAPJIMIKRU-LJQANCHMSA-N 426.561 2.785 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)c(F)c1 28721396 XBFOPEIFTZWHEO-JOCHJYFZSA-N 439.466 2.879 0 40 IFAB c1ccc(-n2nnnc2N2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)cc1 32809524 GNGSWTGMDATURU-UHFFFAOYSA-N 435.495 2.994 0 40 IFAB CC(C)n1ncc2cc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cnc21 32868885 RDYXOUUKRCETBV-UHFFFAOYSA-N 445.520 2.688 0 40 IFAB COC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CCCCC1 32900520 GZOKHACHFHEPRT-IAGOWNOFSA-N 436.574 2.959 0 40 IFAB COc1ccccc1OCCNC(=O)[C@H](CCSC)NC(=O)c1ccccc1OC 32999723 OCCBDNMEKNDKBW-KRWDZBQOSA-N 432.542 2.751 0 40 IFAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 33563567 PMDFLYVODTXUOQ-UHFFFAOYSA-N 432.970 2.873 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1=NN(c2ccccc2)C(=O)CC1 33663103 IWPPJLFBYHXRNT-UHFFFAOYSA-N 426.498 2.593 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)N(C(C)=O)CC2 35314775 RPKYAKVNXVVVOD-QHCPKHFHSA-N 436.464 2.811 0 40 IFAB CCN(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(Br)cc1 39985323 FBMRFHABXCUXIZ-UHFFFAOYSA-N 441.347 2.785 0 40 IFAB CCc1nn2c(nnc3c(=O)n(CCCN4CCOCC4)ccc32)c1-c1ccc(F)cc1 40391833 NLXSWEQCJKJHOF-UHFFFAOYSA-N 436.491 2.530 0 40 IFAB CCc1nc(-c2ccc(N3CCN(C(=O)c4cncc(Br)c4)CC3)nc2)no1 44094835 ALKLFALDVNFVPO-UHFFFAOYSA-N 443.305 2.814 0 40 IFAB C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 48301309 DYLDDMOORDLZDR-ZWKOTPCHSA-N 438.532 2.949 0 40 IFAB CCN(C(=O)[C@@H](C)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 58224062 HVICZUBDHPJTFV-QGZVFWFLSA-N 447.557 2.570 0 40 IFAB CCc1ccccc1NC(=O)Cn1c(=O)n(CC)c(=O)c2snc(-c3ccccn3)c21 67350228 ZGCTUFFFAQNUFV-UHFFFAOYSA-N 435.509 2.903 0 40 IFAB COc1ccc(C2(CNC(=O)c3cc(-n4cnnn4)ccc3Cl)CCOCC2)cc1 72406180 UOCPMGROYQEMRP-UHFFFAOYSA-N 427.892 2.803 0 40 IFAB CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1 95948810 MZCYLRXJPOJCFB-UHFFFAOYSA-N 446.451 2.676 0 40 IFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)[C@H]2C(=O)O 102246212 MGSFTDAWOKSRAH-ZZCKCESHSA-N 426.473 2.575 0 40 IFAB COc1cc(-c2cc(C(=O)NC[C@H]3CCCN3c3nccs3)[nH]n2)cc(OC)c1OC 206781572 YWSZOYBWMFKMFZ-CQSZACIVSA-N 443.529 2.958 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3O)C2=O)cc1 210839056 WVFHWKRBKSNQSP-OQLLNIDSSA-N 430.258 2.995 0 40 IFAB CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 220672725 NHVQKSTZDDWPJP-SFHVURJKSA-N 434.514 2.675 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)Nc2nnc(SCC)s2)S(C)(=O)=O)cc1 222674704 IATLGGLEUDMGLT-NSHDSACASA-N 430.577 2.842 0 40 IFAB CCOc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 224765319 RKMBTYVADRKFED-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224962058 AFUPRCLOXOYJSA-UHFFFAOYSA-N 441.889 2.812 0 40 IFAB Cc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225132732 UNWXGDKFIMORGO-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB COCCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCc3ccccc3C2)n1 225900408 NIRLMARHMFFZEP-UHFFFAOYSA-N 426.590 2.962 0 40 IFAB Cc1cccc(NC(=O)CCCC(=O)N2CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C2)n1 257207853 BJPMLFNORWFMLV-QGZVFWFLSA-N 433.516 2.882 0 40 IFAB O=C1O[C@]2(CCCN(Cc3ccnc(N4CCOCC4)n3)CC2)CN1Cc1ccccc1 257261591 LHZUYUCACAMSFK-DEOSSOPVSA-N 437.544 2.690 0 40 IFAB COc1ccc(CN(C)C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)cc1 257265796 MAHVSDARKNDHLP-AREMUKBSSA-N 439.600 2.596 0 40 IFAB Cn1cc(C(=O)N2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n(C)n3)C2)cn1 257322857 WHSTXRLOIDRUIF-FQEVSTJZSA-N 429.908 2.642 0 40 IFAB Cc1ccc(CN2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)cc1 306138690 SEKDMNQOXLZFPL-NRFANRHFSA-N 434.519 2.528 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCCCn1ccnc1 408605174 MVGRBVRDPIKTEI-UHFFFAOYSA-N 448.932 2.923 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1O 409231060 HZPOYGUESGDHFE-OQLLNIDSSA-N 445.859 2.984 0 40 IFAB CN(C)S(=O)(=O)c1cccc(CNc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c1 557638840 UABZZAHUIVAVKU-UHFFFAOYSA-N 436.477 2.971 0 40 IFAB O=S(=O)(c1cccc2nsnc12)N1CCC(COc2cc(C3CC3)ncn2)CC1 1565520781 OSDNMVDYIOUCTD-UHFFFAOYSA-N 431.543 2.838 0 40 IFAB O=C1CN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CCN1 1673166895 KVBIODUOYLGZAM-KYJSFNMBSA-N 440.466 2.799 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 3256746 DVMLHNCPQMSQQP-UHFFFAOYSA-N 426.441 2.791 0 40 IFAB Cc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@H](C)C3)c2C)cc1C 8755221 RZQRCJSXFRMWGS-ZDUSSCGKSA-N 425.576 2.774 0 40 IFAB COc1cc(C(=O)NC(=S)NN2CCCC[C@H]2c2cccnc2)cc(OC)c1OC 8964869 WVURGXTYETZXEO-INIZCTEOSA-N 430.530 2.854 0 40 IFAB biogenic Cc1cc(C)cc(-n2ncc3c(OCC(=O)N4CC(=O)Nc5ccccc54)ncnc32)c1 9170699 KCYHNSMRNCBIHA-UHFFFAOYSA-N 428.452 2.796 0 40 IFAB O=C(COc1ccc2c(c1)CCC2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9583730 NPGUMYUTPLEEQO-UHFFFAOYSA-N 432.517 2.616 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)cc1 9594585 JAOAWJZFGORPHN-UHFFFAOYSA-N 447.576 2.967 0 40 IFAB COc1ccccc1CNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 9936263 XYVXRPMJUKULQR-UHFFFAOYSA-N 446.301 2.558 0 40 IFAB Cc1c(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)oc2ccccc12 9984719 MZEAGACZBGUHOY-UHFFFAOYSA-N 441.509 2.880 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719841 MYIOLKZSVJCTLS-LBPRGKRZSA-N 429.514 2.796 0 40 IFAB Cc1csc2c([C@H]3CCCN(C(=O)Cc4ccc(S(N)(=O)=O)cc4)C3)nc(C)n12 12087568 XDZKIZCXGULDAN-INIZCTEOSA-N 432.571 2.609 0 40 IFAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 12480436 WBNNQOQVQIRICM-UHFFFAOYSA-N 436.491 2.880 0 40 IFAB NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Br)cc1Cl 12687708 QJBHXAYSZSZUJK-CQSZACIVSA-N 429.723 2.703 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(NC(=O)C2CC2)cc1 12731358 ZDKWOYOFCYSOHZ-UHFFFAOYSA-N 435.933 2.673 0 40 IFAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 12882856 FGWIRGNEJNSCEJ-RDTXWAMCSA-N 429.464 2.946 0 40 IFAB COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)N2CCCCC2)cc1 13112706 KZGOWISMUYBLAA-QFIPXVFZSA-N 445.585 2.903 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1 13113332 BGSGSJNVRIHXLX-UHFFFAOYSA-N 449.583 2.644 0 40 IFAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 13502925 ZXZUFOOSXKTKSJ-IBGZPJMESA-N 449.573 2.588 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC)cc2)cc1Cl 16692538 YHZAQEFYNRYVMQ-UHFFFAOYSA-N 426.922 2.684 0 40 IFAB O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)CN1Cc1ccccc1 16695081 VAIHPKLHKIFVHI-GOSISDBHSA-N 425.916 2.673 0 40 IFAB O=c1c2nnn(Cc3cccc(F)c3)c2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 16845482 MOLXHINKEZVIDZ-UHFFFAOYSA-N 437.822 2.927 0 40 IFAB N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)S1 19644030 LCXUXYYCSDBJSV-MRXNPFEDSA-N 445.884 2.875 0 40 IFAB CCOc1ccc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1CO 19694964 SYIZSTYPHYJGSC-GOSISDBHSA-N 434.544 2.880 0 40 IFAB COc1cccc(C(=O)N2CC[C@H](c3ccnc4c(CN5CCOCC5)c(C)nn34)C2)c1 19707920 KGESCDLTRFURAZ-IBGZPJMESA-N 435.528 2.508 0 40 IFAB O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccccc1F 20358148 JKBMCKGAWQMYHU-ACTFIFLWSA-N 425.847 2.910 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc(Cl)c1 20801651 YLQHYDSOFYPQGU-WOJBJXKFSA-N 440.931 2.868 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 20810061 HWAMQKQRMJNHIJ-UHFFFAOYSA-N 428.964 2.829 0 40 IFAB CC(C)N(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1ccccc1 22134703 HIVQIKNKQDUTBM-UHFFFAOYSA-N 433.549 2.569 0 40 IFAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCCCO3)c(C)n1[C@H]1CCS(=O)(=O)C1 23264222 VRVBYLKLBDJHAE-KRWDZBQOSA-N 447.509 2.666 0 40 IFAB Cc1nn(Cn2ccc(C(=O)N3CCN(c4ccccc4)CC3)n2)c(C)c1Br 27973650 MAMMNFTZZGPCLX-UHFFFAOYSA-N 443.349 2.927 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 31408930 GDPYSCGBXHVDGY-QGZVFWFLSA-N 449.598 2.863 0 40 IFAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1OC 44880642 JGNKWAHMQOCIEZ-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB CC1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCc2ccc(OC(C)C)cc2)CC1 49400638 COBMQHRUGZHCRU-UHFFFAOYSA-N 434.562 2.558 0 40 IFAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)n2N)cc1 58017867 XCZHREQKUYQYLX-PXNSSMCTSA-N 436.585 2.839 0 40 IFAB O=C1CN(c2ccc(NC(=O)[C@@]34CCC(=O)N3c3ccccc3S4)cc2Cl)CCN1 71795565 OGCSMXUQZVYCQB-NRFANRHFSA-N 442.928 2.844 0 40 IFAB COCCC(=O)N1CCC(c2nc([C@H]3CCCN(Cc4cccs4)C3)cc(=O)[nH]2)CC1 72399219 ICAKSSRTVNGUBO-SFHVURJKSA-N 444.601 2.954 0 40 IFAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 78933526 OBZRYFWZUZPJEQ-YLJYHZDGSA-N 446.569 2.856 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)c4ccncc43)cc2)C1 79055357 WOSSBBBOFWDVRX-IRXDYDNUSA-N 428.558 2.845 0 40 IFAB O=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 96120524 OXUWFQYFTMQSOE-UHFFFAOYSA-N 443.447 2.811 0 40 IFAB Cn1c(=O)c2ccc([C@H]3CC[C@H](CNC(=O)CCc4ccccc4)CC3)nc2n(C)c1=O 100707140 BDYUQTGLXOANMR-KDURUIRLSA-N 434.540 2.655 0 40 IFAB COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C 209652726 KEFLLIICCJUNDI-HUUCEWRRSA-N 447.532 2.977 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 215760491 JCIWCKWDLLVMQJ-HOTGVXAUSA-N 435.615 2.665 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 220218064 WHHXXAKTJHCHAA-DLBZAZTESA-N 434.558 2.996 0 40 IFAB Cc1cc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)ccc1N1CCCC1=O 224464672 HCTNMRPZMUDVAQ-UHFFFAOYSA-N 431.514 2.535 0 40 IFAB COC(=O)CN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224868202 QUDXDCVKZPVSMZ-UHFFFAOYSA-N 427.862 2.504 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)ccc21 225028498 BPALZVCDZMNDCA-UHFFFAOYSA-N 425.919 2.658 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225435548 GCRWDNKOXLWPNW-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)cc2)CC1 226040140 BNCROMBJQITHHU-UHFFFAOYSA-N 444.553 2.724 0 40 IFAB COc1ccc(/C=C/C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)cc1OC 253475930 ZVBSFAKHLKYIJN-XBXARRHUSA-N 430.888 2.908 0 40 IFAB O=C(O)COc1ccccc1C(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 257214275 CLJCGQSOPOPKNS-MHECFPHRSA-N 440.471 2.958 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl 260888523 BCAYWBBICZWYKU-HOCLYGCPSA-N 438.933 2.759 0 40 IFAB COCCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 306144013 YTJMKXYSJLHEHT-PGRDOPGGSA-N 445.589 2.610 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 408669415 VYLFOYSMXDWKMD-MRXNPFEDSA-N 439.468 2.579 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCC(=O)OC 409129825 KXQILDURLOQKFU-NTEUORMPSA-N 429.878 2.973 0 40 IFAB Cn1cc(C(=O)N2Cc3ccnn3[C@H](CC(=O)NCC3CCOCC3)C2)c2ccccc21 585095123 ADFYKMCDHSXIJO-LJQANCHMSA-N 435.528 2.505 0 40 IFAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)N3CC(O)C3)ccc21 643575855 PMWPPOOJIYJHAJ-UHFFFAOYSA-N 443.588 2.801 0 40 IFAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(C)c(Cl)c4)C[C@H]23)n1 1549160707 AYOWVGAIYLVAAC-KRWDZBQOSA-N 442.907 2.674 0 40 IFAB CN(CC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ncnc(C2CC2)c1F 1888901349 YMCNBXWWJPOMMO-UHFFFAOYSA-N 429.521 2.790 0 40 IFAB CCOc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 933217 LFEPJDJJBGQIMB-UHFFFAOYSA-N 438.571 2.689 0 40 IFAB COc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2645953 KFPVXJLWBOHVGL-UHFFFAOYSA-N 425.513 2.753 0 40 IFAB CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12 2716636 PQHPFYMYXCOOMD-UHFFFAOYSA-N 447.538 2.968 0 40 IFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1 3419872 MMEITTNONYWUFF-INIZCTEOSA-N 430.526 2.850 0 40 IFAB CCc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 3525549 HQONFUQORCQBDK-UHFFFAOYSA-N 436.555 2.893 0 40 IFAB COc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 4548332 WSDOJPMAZUSCLD-UHFFFAOYSA-N 429.586 2.979 0 40 IFAB O[C@@H](CCOc1ccccc1)CNCCCCCCNC[C@@H](O)COc1ccccc1 4686166 QRQXKWQQPIBTQJ-XZOQPEGZSA-N 430.589 2.996 0 40 IFAB Cc1c(CCOC(=O)C23CC4CC(CC(C4)C2)C3)sc[n+]1CCCS(=O)(=O)O 6962233 BDXSJHHPYPIMPJ-UHFFFAOYSA-O 428.596 2.924 0 40 IFAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2NC(=O)Cc2ccccc2)no1 8661784 BCHKCXDJYZOQKB-UHFFFAOYSA-N 449.492 2.737 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)nc3sccn3c2=O)CC1 9118078 KRUIAOQRAQRMCA-UHFFFAOYSA-N 438.962 2.537 0 40 IFAB COc1ccc([C@H](CNC(=O)CSc2nnnn2-c2cc(C)ccc2C)N(C)C)cc1 9127388 CGNNWQSFFOJICP-FQEVSTJZSA-N 440.573 2.799 0 40 IFAB COc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)nc12 9385961 NLAQUEDNKMZQAZ-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC(=O)NCc1ccccc1 9466281 NWHNULUZVJVADS-UHFFFAOYSA-N 428.539 2.982 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2Cl)cc1 9806265 IWKGFNBLLAJZIW-OAHLLOKOSA-N 435.933 2.556 0 40 IFAB COc1ccccc1NC(=N)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1 9938473 YLHAVTGLZHGJPW-UHFFFAOYSA-N 449.500 2.505 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1NC(C)=O 10059487 JTUJAACLSUZPIP-UHFFFAOYSA-N 433.530 2.563 0 40 IFAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCc1ccccc1F 10102917 HYNMTBCEXVXOQD-UHFFFAOYSA-N 433.443 2.702 0 40 IFAB CCOc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(CC)CC 11547256 IKWDRZRQDRUARX-UHFFFAOYSA-N 444.513 2.605 0 40 IFAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1ccc(I)cc1 11635267 UUEWKHZUWWJITN-UHFFFAOYSA-N 429.239 2.570 0 40 IFAB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 11685404 YUBFJSHYAGCPLL-SECBINFHSA-N 436.419 2.848 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 11997537 NAQCAQULXGISKT-UHFFFAOYSA-N 435.310 2.861 0 40 IFAB O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1)NC1CCCC1 12480582 SDRCCMYFWZFYTM-UHFFFAOYSA-N 440.454 2.710 0 40 IFAB CC(C)CCNC(=O)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12776636 WLAHJNAFWRZCCL-UHFFFAOYSA-N 442.516 2.542 0 40 IFAB COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H](NC(C)=O)C(C)C)CC3)cs2)cc1 12788066 WUULLRUDXNNFHZ-FQEVSTJZSA-N 430.574 2.624 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@@H]4C2=O)cc1 12891480 NKGOUZCCDHHQKG-UMCMBGNQSA-N 436.464 2.638 0 40 IFAB biogenic Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1CCCN1CCOCC1 13511954 GHJCKXDTNCBGBM-UHFFFAOYSA-N 433.578 2.720 0 40 IFAB CCn1c(SC)nnc1C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1 13565116 QYRONAMQZWDBMZ-UHFFFAOYSA-N 444.605 2.675 0 40 IFAB CN(C)C(=O)[C@H]1CN(C(=O)c2cccc(I)c2)c2ccccc2O1 14198583 NYZXNMJOSREVGG-MRXNPFEDSA-N 436.249 2.787 0 40 IFAB C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br 15686655 PYEANKCHPQFRQE-LBPRGKRZSA-N 436.331 2.755 0 40 IFAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCCN1CCO[C@@H](c2ccccc2)C1 16955252 IESDGGQPGQPUES-HXUWFJFHSA-N 431.920 2.867 0 40 IFAB COc1ccc(OCCN2CCN(C(=O)c3nc(C)n(-c4ccc(F)cc4)n3)CC2)cc1 18121397 RMVMBBDIALSEKE-UHFFFAOYSA-N 439.491 2.560 0 40 IFAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 18275334 UZEPGSWUWICGLM-UHFFFAOYSA-N 448.522 2.635 0 40 IFAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)c1 19234758 PQUSOVVGYYRQQP-NRFANRHFSA-N 434.540 2.669 0 40 IFAB CCCN1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502859 YDOGIYSWCUBJRO-PMACEKPBSA-N 439.581 2.933 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CCc1ccccc1F)CC2 19711389 GIANPYJEKWMTLI-UHFFFAOYSA-N 439.535 2.901 0 40 IFAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)C4CCN(C)CC4)CC3)nc2n1 19743159 CMDKNBXELWPOGF-UHFFFAOYSA-N 436.482 2.982 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 20015693 XMXYTNIDIQPWEV-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(CC(=O)N(C)C)CC2)cc1Cl 22784050 IASRAKAAOBIBPJ-QFIPXVFZSA-N 444.963 2.734 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1=O 23674646 JKAKOPYKULQSOI-GFCCVEGCSA-N 439.896 2.638 0 40 IFAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 23819540 XHRFYQZNNFXLEO-UHFFFAOYSA-N 431.518 2.791 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)cc1 25779304 KGIQTDKOSMXREK-UHFFFAOYSA-N 429.542 2.687 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 28337758 LKXMMZSRCHQMET-ZHAHRWAOSA-N 436.917 2.991 0 40 IFAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 34890269 DVUMDQULNYOVSO-NZQKXSOJSA-N 437.540 2.946 0 40 IFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 36044930 FGBQNOJFUILOMV-CTNGQTDRSA-N 445.560 2.617 0 40 IFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)COc2ccccc2C)c1 40717876 XNPFGNPMAJWRMD-UHFFFAOYSA-N 443.525 2.510 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccc(C)cc3)C3=C2COC3=O)cc1OC 49402896 ZWVSAONHFCQJNM-OAQYLSRUSA-N 437.452 2.528 0 40 IFAB Cc1nc(-c2cccc(F)c2)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1CCO 67316813 PDEOFQFZCMYEPF-UHFFFAOYSA-N 443.906 2.905 0 40 IFAB O=C(CCCc1ccccc1)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 71004851 WTUFEFISKSYVMX-UHFFFAOYSA-N 432.406 2.916 0 40 IFAB Cc1noc(C)c1C(=O)N1CCC(c2nc(-c3cccnc3)ncc2S(C)(=O)=O)CC1 72335842 CCZHJWWTKGJJOT-UHFFFAOYSA-N 441.513 2.567 0 40 IFAB COc1ccc([C@@H]2C[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)cc1 72389505 FNLAMTCXSRWZBF-HEKNWVKJSA-N 447.601 2.607 0 40 IFAB CCN(CC)C(=O)N1CCN(Cc2c([C@@H]3CCCN(C(C)=O)C3)[nH]c3ncccc23)CC1 72395280 WOHBOMOASPMJJL-LJQANCHMSA-N 440.592 2.868 0 40 IFAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 95397010 ZTHDIPAUUVCIBW-KRWDZBQOSA-N 449.960 2.897 0 40 IFAB CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc(Br)cc1 96519947 AIDVDGOINDXJTI-DTWKUNHWSA-N 439.496 2.855 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 101265021 RPEYWJZYNISSLF-SUWCGCSTSA-N 425.485 2.504 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 103027763 FHWPONPEAPXXHF-KBPBESRZSA-N 433.390 2.566 0 40 IFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CC[C@H](OC(C)=O)C[C@]3(O)CC[C@@]21O[C@@H]4OC 119169173 NAWSESIXRIDTIN-DOLUBAIVSA-N 436.545 2.970 0 40 IFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC 206801654 QQOHZBODTQJWKT-CZUORRHYSA-N 433.432 2.687 0 40 IFAB COc1ccc(CCNc2ccc(S(=O)(=O)NCC(C)C)cc2C(=O)O)cc1OC 217554743 YKEKCAUPJCFTRN-UHFFFAOYSA-N 436.530 2.991 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 222723839 FXDXXHWLNLHYFY-INIZCTEOSA-N 448.541 2.888 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1OC 222760436 GOVINVYDSCDQTC-UHFFFAOYSA-N 428.510 2.939 0 40 IFAB O=C(COc1cccc2c1CCCC2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 225527288 PGILGBJYSMGDAG-UHFFFAOYSA-N 430.526 2.604 0 40 IFAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 225643659 UZDQYNLUORVLTD-GOSISDBHSA-N 448.932 2.981 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 245093508 RRJGJKPWJJLXKG-UHFFFAOYSA-N 434.525 2.633 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3cccnc3)cn12 306135711 OYHADKCVMADNJZ-QFIPXVFZSA-N 447.587 2.574 0 40 IFAB Cc1cc(OC2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)CC2)nc(C)n1 390826895 QVKYWBOQKGAPNB-UHFFFAOYSA-N 445.470 2.684 0 40 IFAB CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408549420 SMYIJAYKTJSMFQ-JLATVTFTSA-N 441.278 2.701 0 40 IFAB COC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 408622581 RIYVVJQHGJLZIZ-CQSZACIVSA-N 447.395 2.924 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 408652326 CGVWRKCMUBUDKJ-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc(Cl)c1O 409214960 YVQATBQLOSGWNZ-PWDRSIHYSA-N 440.905 2.776 0 40 IFAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCN(c2ncnc3sccc23)CC1 516758313 TWUZSKGHKGMTSQ-IBGZPJMESA-N 435.553 2.574 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(CC3(O)CCN(c4ccc(C)cc4)CC3)CC2)C1 2037845909 HFSNLEZHPZRHMH-QHCPKHFHSA-N 429.605 2.818 0 40 IFAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)COc3ccccc3)C2)n(-c2nc3ccccc3[nH]2)n1 2332241639 QYLXONDZBISGOR-ZLGUVYLKSA-N 446.511 2.644 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)c1 876977 GHMMSTWHFPVFLI-UHFFFAOYSA-N 441.509 2.611 0 40 IFAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N(CC(=O)O)CC(=O)O)c(C)c3cc2c1C 2108368 CQDLYGULMPDHJK-UHFFFAOYSA-N 429.425 2.703 0 40 IFAB biogenic O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCC(Cc2ccccc2)CC1 3477704 NYOWBWSYEVWERP-VWLOTQADSA-N 433.508 2.698 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3593342 CKNOHEFZRVWJKM-LJQANCHMSA-N 446.257 2.584 0 40 IFAB CCc1ccccc1NC(=O)C1=CC(c2ccc(OC)c(OC)c2)=NS(=O)(=O)N1C 8587773 PWCFTPDXMSXFQS-UHFFFAOYSA-N 429.498 2.768 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1 8686974 HEXBFPZSNLBCAK-UHFFFAOYSA-N 447.538 2.661 0 40 IFAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O 8878362 YYOKINWHIOKPNX-NVXWUHKLSA-N 429.542 2.517 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)OCc1nnc(-c2ccc(Br)cc2)o1 9048699 XCBRRLGMAJXMQJ-UHFFFAOYSA-N 442.225 2.839 0 40 IFAB CCn1cc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c(=O)c2cc3c(cc21)OCO3 9133919 YFUONMBGKCJJJX-KRWDZBQOSA-N 442.497 2.600 0 40 IFAB O=C(NCCCn1cnc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9337979 WZMWMRAMZNSGDU-INIZCTEOSA-N 432.571 2.705 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(-c4ccccc4)no3)CC2)cc1 9426393 MNWKEGZKIGXEII-UHFFFAOYSA-N 440.525 2.762 0 40 IFAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)S1 9440522 ROTWZHSEXNQBSN-KRWDZBQOSA-N 428.514 2.878 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 9526001 XJVYCAZMRQBWST-QGZVFWFLSA-N 436.464 2.874 0 40 IFAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NC1CCCCC1 9578365 DINLCIUUSPNOBN-UHFFFAOYSA-N 438.557 2.638 0 40 IFAB O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 9739693 RGOROVJSJBMSBV-UHFFFAOYSA-N 445.522 2.738 0 40 IFAB C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719828 JKEKUMADVFIZAT-LBPRGKRZSA-N 429.514 2.796 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)Nc3ncc(C)s3)CC1)O2 12086666 CYRGCYPHMQCHNZ-OYHNWAKOSA-N 442.541 2.661 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12276797 GHUZLWSJYKMTMI-UHFFFAOYSA-N 437.406 2.540 0 40 IFAB O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12507498 OYHZKJVMQHGBSK-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 12599065 GSUMOBOZNJOOBC-UHFFFAOYSA-N 436.516 2.865 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCCCN3CCCC3=O)n2CC(C)C)cc1 12911781 VYJUQSMIERSBDH-UHFFFAOYSA-N 445.589 2.831 0 40 IFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Br)cc1 12933312 JNZNKMSAHVOZEY-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB O=C(c1cc2ccccc2o1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036824 HNKKYBVOLAUYQC-UHFFFAOYSA-N 425.452 2.919 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1S(=O)(=O)N1CCCC1 13041764 ZDXMGFVTAXETSR-UHFFFAOYSA-N 443.569 2.751 0 40 IFAB COc1cccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 13672373 KTCTVXSVXSKYER-UHFFFAOYSA-N 445.585 2.801 0 40 IFAB CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 14171443 PUFXZEXDLXHGRR-UHFFFAOYSA-N 434.587 2.771 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14244295 QTXQWRNWSODHMR-IXDOHACOSA-N 432.542 2.984 0 40 IFAB COC(=O)c1ccc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 14572042 OTTRNFKGDNHXRE-YFPIXMDGSA-N 447.491 2.931 0 40 IFAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OCC 17050606 SQMZHAZXDFXIDA-UHFFFAOYSA-N 432.542 2.939 0 40 IFAB CN(C)CCCNc1ncc(-c2ccnc(N3CCOCC3)n2)c(-c2cccs2)n1 19582405 HWHYTCCUGQZQSM-UHFFFAOYSA-N 425.562 2.862 0 40 IFAB CN(C)CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)c3cscn3)C[C@H]21 19583008 IOWMCTWUTMAMRJ-FXAWDEMLSA-N 442.585 2.850 0 40 IFAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)s1 19697661 PIUUKCKGHZNWBR-HNNXBMFYSA-N 445.566 2.910 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CCC(=O)N2Cc1ccccc1 19741707 VLOGHBMMBZETCF-HXUWFJFHSA-N 430.512 2.975 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)C2)ncc1C(=O)N1CCCC1 19757373 LXPKJZXBOPUNJC-SFHVURJKSA-N 449.555 2.608 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 20018478 XEKHSKMFWVOQQA-VMPITWQZSA-N 447.988 2.964 0 40 IFAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 20450274 BBXOLVRWLNTSDI-MRXNPFEDSA-N 448.541 2.685 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 21146326 IJLZDIMNRXANOT-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB O=C1C[C@@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccccc1Br 22848403 AOXGWTMOOFRERN-QGZVFWFLSA-N 434.359 2.960 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCCO2 22907533 NALFIDBDJCYHOZ-FQEVSTJZSA-N 447.491 2.905 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 23907622 KQQSEAZNJQONOO-UHFFFAOYSA-N 438.557 2.842 0 40 IFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCCCc1nc(-c2cccs2)no1 24649823 JZAYRTHFMGAKLT-UHFFFAOYSA-N 445.545 2.882 0 40 IFAB COc1cc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCc1c(C)noc1C 25587175 CQEBKTKAZTZXFM-WEVVVXLNSA-N 439.512 2.973 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ncc(C)s1 32074851 KXJKXKCWBZANSU-ZBFHGGJFSA-N 432.571 2.681 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3c(C)nn(C)c3C)cc2)cc1 32902558 BNSDWMVDYGTBST-UHFFFAOYSA-N 440.525 2.970 0 40 IFAB CCOC(=O)C1=C(CSc2nc3nc(C)cc(C)n3n2)NC(=O)N[C@@H]1c1ccccc1 32910395 FPEYFVQUFAMUDB-QGZVFWFLSA-N 438.513 2.705 0 40 IFAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1)c1ccc(C)cc1 37215277 IHZQEUTYVHXITF-QHCPKHFHSA-N 436.556 2.654 0 40 IFAB O=c1c2ccccc2n(Cc2nc(-c3ccc4c(c3)OCO4)no2)c(=O)n1Cc1ccco1 38486483 BOTOBEBPYMGEST-UHFFFAOYSA-N 444.403 2.632 0 40 IFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 39983780 VAWPTLSCYRZNAB-CHWSQXEVSA-N 449.460 2.856 0 40 IFAB CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CCn1nnc2ccccc2c1=O 40142755 VILMOHKJCUXQEX-QFIPXVFZSA-N 433.556 2.771 0 40 IFAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(OC)c(OC)c1 44856885 JEGFZNXASLILQX-HRAATJIYSA-N 448.541 2.807 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cc1 44857317 IJKZWSLHGZVBSB-SFHVURJKSA-N 445.585 2.762 0 40 IFAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)NN1C(=O)NC2(CCCCC2)C1=O 57378545 KIYANBIFUMJDCL-HNNXBMFYSA-N 427.530 2.719 0 40 IFAB CCOC(=O)c1cnn(-c2cc(SCC(=O)Nc3ccc(OC)cc3)ncn2)c1C 57522900 SAMPPWGGCPRPMA-UHFFFAOYSA-N 427.486 2.887 0 40 IFAB CCN1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)CC1 58122725 KPKAPMJOUMLNKT-FMIVXFBMSA-N 425.554 2.615 0 40 IFAB O=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 70655850 WYQNGDCJWATHHY-UHFFFAOYSA-N 439.415 2.787 0 40 IFAB O=C(Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1)c1ccccc1Br 71001552 RCOHEHQWSHTUBL-UHFFFAOYSA-N 441.289 2.913 0 40 IFAB C[C@H]1CN(C2CCN(C(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 72013567 PVWOENMPGHRDFU-XIHFSLHRSA-N 443.632 2.906 0 40 IFAB Cc1cc(N2CCCC2)nc(C2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)n1 72337151 WSYONUHBKWCDAS-UHFFFAOYSA-N 438.985 2.649 0 40 IFAB CCN(CC)Cc1ccc(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)o1 72338806 QVYLFQRBFONDIZ-OAQYLSRUSA-N 446.573 2.704 0 40 IFAB Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 84083711 GNTGEOFEWKOEMP-QZTJIDSGSA-N 444.329 2.762 0 40 IFAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 105387244 CVQRHMLKWFJPEG-PEPXGQHKSA-N 448.544 2.982 0 40 IFAB CCSc1nnc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)s1 223935229 MVCUWRVFRCNARH-UHFFFAOYSA-N 430.577 2.842 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSCc1ccco1 224095690 WABIDTSYVFIABS-GOSISDBHSA-N 426.560 2.882 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224194338 ZYZABVSNYUQCNN-OAQYLSRUSA-N 445.585 2.705 0 40 IFAB NC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 225996565 YNCBVPMGOBAAQI-UHFFFAOYSA-N 437.521 2.544 0 40 IFAB COc1ccc([C@H]2N=C3NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)c(OC)c1 253569543 MLCZYSQSTFIVEQ-VGSWGCGISA-N 448.527 2.776 0 40 IFAB Cn1c(=O)n(C)c2cc(CN3CCO[C@H](c4ccc(Nc5ccccn5)cn4)C3)ccc21 257226448 FKQINSKUBVQJFO-QFIPXVFZSA-N 430.512 2.984 0 40 IFAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 257243690 IIDMILQZUFCIFJ-GUDVDZBRSA-N 442.585 2.980 0 40 IFAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1C 257305476 SQFHZEHZYAWJGF-IBGZPJMESA-N 441.513 2.694 0 40 IFAB O=C(NCCc1ccccn1)c1cn2c(nc1=O)C1(CCN(Cc3ccccc3)CC1)CC2 306132184 LBBUZXSZFROQCT-UHFFFAOYSA-N 443.551 2.548 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)cc1C 408542848 AWXPTIMUCWRKOM-UHFFFAOYSA-N 429.542 2.750 0 40 IFAB CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 408587437 BWAGRCUXYUBZNF-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c1 408597948 WYENETWWAGYSQC-HNNXBMFYSA-N 433.530 2.985 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 502611854 DYWYXMAACVLKQW-ZIAGYGMSSA-N 445.928 2.629 0 40 IFAB OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1 585281589 LYUMSFBEZAAALJ-UHFFFAOYSA-N 444.547 2.943 0 40 IFAB COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418720 PWMKSBZXEYPWHQ-AWEZNQCLSA-N 435.402 2.940 0 40 IFAB O=S(=O)(NCc1cn(Cc2ccc(CN3CCCCC3)cc2)nn1)c1ccccc1 1615058560 OOCBUQZVKDEDOC-UHFFFAOYSA-N 425.558 2.791 0 40 IFAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCCC2)cc1OC 804389 IJNXUVHSHMCSJV-HXUWFJFHSA-N 444.553 2.832 0 40 IFAB NS(=O)(=O)c1ccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 1036874 YFXHWUOUSIKINU-UHFFFAOYSA-N 441.353 2.997 0 40 IFAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 3491864 FZZOCGFTVGURFH-UHFFFAOYSA-N 438.513 2.602 0 40 IFAB CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](CC)C(=O)NC2CCCC2)cc1 6821945 PSQMQRFDRFDBHV-INIZCTEOSA-N 443.573 2.871 0 40 IFAB COc1cc(CN(C(=O)c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8612522 PTCFVEYCJLOAAI-SFHVURJKSA-N 433.526 2.850 0 40 IFAB O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 8720552 VEMDRVKUUAXSQQ-UHFFFAOYSA-N 428.558 2.786 0 40 IFAB COc1ccc(CCn2c(O)nc(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 8994906 LPLYJZXCQZDDDE-JOCHJYFZSA-N 446.507 2.964 0 40 IFAB biogenic CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 9125984 DEPPKTZRFFHZLI-HSZRJFAPSA-N 437.452 2.804 0 40 IFAB CCOC(=O)CN(C(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(F)cc1 9883257 NDOJESCDNJEJRD-ONNFQVAWSA-N 429.400 2.707 0 40 IFAB COc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1S(=O)(=O)NC1CCCC1 9952919 GGKGQRPTXFCPID-UHFFFAOYSA-N 442.541 2.733 0 40 IFAB Cc1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C(N)=O)c1C 10187249 ZMRDEOOCVQUHET-SNVBAGLBSA-N 447.991 2.971 0 40 IFAB C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(Cl)c1 10277056 SECZDJBYJSUBRF-ZDUSSCGKSA-N 443.978 2.983 0 40 IFAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCc2ccccc2C1 12127297 ZNNZTARIJWKKKD-UHFFFAOYSA-N 427.574 2.878 0 40 IFAB COc1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O 12324547 GXVAJAIFPVYFQD-PGRDOPGGSA-N 426.494 2.645 0 40 IFAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n(N)c2=O)cc1 12348348 GYBIBTQKYRSQGN-UHFFFAOYSA-N 433.896 2.775 0 40 IFAB COCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(F)c(Cl)c1 12481215 ZVEKQHFOXGKJDS-UHFFFAOYSA-N 434.899 2.884 0 40 IFAB CCCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 12645511 ROARKZZHUUXQIC-UHFFFAOYSA-N 438.575 2.776 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(OC)c1OC 12915994 HVNJSSJKIBNZDL-UHFFFAOYSA-N 448.541 2.832 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@@H](NC(C)=O)c1ccccc1 13012615 XIRKELXDLZIZHY-LJQANCHMSA-N 425.485 2.512 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1 13084835 DNVWXEBIYKDCMI-NRFANRHFSA-N 444.482 2.825 0 40 IFAB CNC(=O)c1ccc(CN(C)Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)cc1 14246921 QWRQMLZUIBZYDU-LJQANCHMSA-N 439.541 2.913 0 40 IFAB Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(F)cc1 16621618 YXOUYTZIKKZMIL-UHFFFAOYSA-N 429.433 2.790 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 16682742 KGGYEVCTVLGWLA-UHFFFAOYSA-N 444.553 2.679 0 40 IFAB O=C1NC(=O)[C@](CCCCCC[C@]2(c3ccccc3)NC(=O)NC2=O)(c2ccccc2)N1 18284541 TZOQNPJTEOEUQT-PSWAGMNNSA-N 434.496 2.797 0 40 IFAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(OC)s3)[nH]c2=O)C1 19499128 AHLIADDJYRHMSX-OAHLLOKOSA-N 430.530 2.502 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cn(C)nc4C)nc32)c1 19698676 YQHHTJMIIWUXIS-UHFFFAOYSA-N 448.527 2.587 0 40 IFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1ccccc1Cl)CC2 19710316 PLQOEQOIIMXPMJ-AWEZNQCLSA-N 435.981 2.728 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c(C)c1 20040853 ANPZJIJWFJUKNJ-UHFFFAOYSA-N 446.525 2.586 0 40 IFAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20047734 QHNCERVNOLZXFS-HNNXBMFYSA-N 436.555 2.835 0 40 IFAB Cc1c(O[C@@H](C)C(=O)NCCN2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 20546462 GWFXOVOEHOWTHY-SFHVURJKSA-N 436.508 2.984 0 40 IFAB biogenic O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)NCc1ccc2c(c1)OCO2 22767895 JFGKSHOJAKQLSU-UHFFFAOYSA-N 443.463 2.505 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3noc(C)n3)CCCCC2)C1=O 23508013 FBYRNQZJQRTGKF-JOCHJYFZSA-N 425.489 2.511 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 24219118 UFPGSULYFVLPSX-QFIPXVFZSA-N 448.571 2.786 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(-c2ccn[nH]2)c1 24885397 OSZJNZTWPZJSFZ-AWEZNQCLSA-N 442.497 2.544 0 40 IFAB COc1ccc(N2C(=O)/C(=C\N[C@@H]3CN4CCC3CC4)c3ccccc3C2=O)cc1OC 25778081 DZWNLQYEXVUWMB-OKPNHQCWSA-N 433.508 2.916 0 40 IFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)CC1 26114994 FPUQRKMEMYHKNY-UHFFFAOYSA-N 440.587 2.608 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 27663164 LZEWWTLTXUSBSU-GUYCJALGSA-N 428.510 2.924 0 40 IFAB NC(=O)COc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 31184337 FZDORLXDXDSOQG-UHFFFAOYSA-N 428.448 2.561 0 40 IFAB CCN(CC(=O)NC[C@@H]1COc2ccccc2O1)CC(=O)Nc1cc(Cl)ccc1C 32753369 WYOJIQPLRRSSJN-QGZVFWFLSA-N 431.920 2.865 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 32999990 SBGFOBFBKOWBSU-ICSRJNTNSA-N 433.549 2.831 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N[C@@H](CO)C(C)C)cc3s2)cc1 36576149 OSJPHXBPLVHJEK-KRWDZBQOSA-N 449.554 2.852 0 40 IFAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@H](C)C4)on1)CS2 38755195 RUAZTLGRLPVARR-CXAGYDPISA-N 438.509 2.883 0 40 IFAB COc1ccc(NC(=O)NCc2cccnc2N2CCOCC2)cc1N1CCCCC1=O 40121330 ZNHKYXXSYYKUNS-UHFFFAOYSA-N 439.516 2.765 0 40 IFAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1 67322506 UGRDXWSRYJEUHF-UHFFFAOYSA-N 437.456 2.647 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2 72393321 CZMYAPKJNSCZAZ-UHFFFAOYSA-N 442.537 2.586 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)C1(c2ccccc2)CCOCC1 77154891 WRLJUYWXMQVPKD-UHFFFAOYSA-N 447.582 2.680 0 40 IFAB CN(C)CCn1cc(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)cn1 78927999 NPSZEOSHMLATFR-VWLOTQADSA-N 427.368 2.734 0 40 IFAB C[C@@H](CO)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2Br)CC1 79016395 PEVZOJZDZCOPIT-NWDGAFQWSA-N 449.187 2.537 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3noc4c3CCCCC4)CC2)c(OC)c1OC 95475607 DEYXPLJYOHCTEP-UHFFFAOYSA-N 429.517 2.927 0 40 IFAB CC(C)(C)OC(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3N=C2O)CC1 95478613 LTSQLMXHCPZPPW-KRWDZBQOSA-N 430.505 2.683 0 40 IFAB COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 96230942 GJZWVEWTQDJBEB-KRWDZBQOSA-N 427.457 2.552 0 40 IFAB CCOc1ccccc1CNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 219192620 FVQRBRACLQLOEU-UHFFFAOYSA-N 446.525 2.930 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 222389384 JJDPVTBLJSMLHD-UHFFFAOYSA-N 448.516 2.817 0 40 IFAB O=S(=O)(Cc1cccc(Br)c1)NCc1ccc(CN2CCOCC2)cc1 224585597 JZYVTOZOAZHPFC-UHFFFAOYSA-N 439.375 2.901 0 40 IFAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225029576 DQBKNZSBYYRSFN-UHFFFAOYSA-N 439.946 2.967 0 40 IFAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225327722 FXUVDFXETAOSPX-UHFFFAOYSA-N 439.563 2.853 0 40 IFAB COC(=O)c1c(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)sc2c1CCCC2 225705514 IIFGGTOFFLOZOQ-UHFFFAOYSA-N 436.555 2.814 0 40 IFAB Cc1n[nH]c(C)c1NC(=O)CN1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 257248749 JEZZCLKYDATQMZ-PGRDOPGGSA-N 431.487 2.772 0 40 IFAB CN(C)CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257270965 MWITZNGBQDIVFQ-SFHVURJKSA-N 426.439 2.512 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)COc3ccc(C)cc3)C2)cc1 260453022 CGYCDNAZGJOKGY-RTBURBONSA-N 446.569 2.988 0 40 IFAB O=C(C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCCn1cccn1 524729619 AMGUTQLTSQFDOZ-MRXNPFEDSA-N 447.447 2.762 0 40 IFAB biogenic COc1ccc(-c2csc(NC(=S)NC[C@H]3CCS(=O)(=O)C3)n2)cc1OC 575421678 KZEIRSCYJDVQPT-LLVKDONJSA-N 427.573 2.548 0 40 IFAB NC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCOCC1 585261794 NABHJXSMMLVFAB-OAQYLSRUSA-N 441.959 2.587 0 40 IFAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](Cc2cnc(Nc3ccccn3)cn2)C1 585291792 GCIZURDRVRFOCL-YXBWYFRISA-N 431.544 3.460 0 40 IFAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 683762239 XXIIPEJKSSCOBD-AWEZNQCLSA-N 441.395 2.865 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1 2056226338 PKZYTYLEQQQCQL-JTHBVZDNSA-N 432.467 2.650 0 40 IFAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)n(-c2ccccc2)n1 2332241594 LSMQIOCFNFHYCG-CWFSZBLJSA-N 430.505 2.690 0 40 IFAB CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 926224 AQVKFNRQXHTUQA-UHFFFAOYSA-N 446.511 2.589 0 40 IFAB CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 2664342 XKSMEOAVHYKWJR-UHFFFAOYSA-N 437.521 2.945 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007720 KRTNILSITZONBB-IBGZPJMESA-N 447.535 2.820 0 40 IFAB CCCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4OC)c(C)c(C)n23)n(C)c1=O 4250826 VDSSHPUKULFMDS-UHFFFAOYSA-N 425.489 2.573 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 8926309 NSMLNNXMCANTSI-UHFFFAOYSA-N 434.283 2.994 0 40 IFAB biogenic COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 9160556 GYVMJGDATSEGKO-HNNXBMFYSA-N 449.486 2.881 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)N1CCc2ccccc21 9660660 HGCQSSKYIFAPNJ-UHFFFAOYSA-N 446.894 2.849 0 40 IFAB Cc1ccc(NC2=N[C@]3(C(=O)Nc4ccccc43)n3c(nc4c3=Nc3ccccc3-4)=N2)cc1 9668946 BKRMHZJFEPTTRM-VWLOTQADSA-N 431.459 2.878 0 40 IFAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 9838367 BMGBBZLWSAGTSB-UHFFFAOYSA-N 436.795 2.953 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)CC5CCCCC5)CC4)ncnc32)c1 9850622 NUNNGVUSXQXVGL-UHFFFAOYSA-N 435.532 2.838 0 40 IFAB C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCC1 11411127 BYJDXJXPQPCIIY-CQSZACIVSA-N 426.510 2.604 0 40 IFAB CCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 12528963 SFMOOLHJTVYNAX-OAHLLOKOSA-N 429.494 2.503 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1C 12599769 LGYCYJWSFJBRQH-UHFFFAOYSA-N 446.500 2.683 0 40 IFAB O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12971339 OLPUAROBJGZJSI-UHFFFAOYSA-N 436.917 2.648 0 40 IFAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 13117948 VVMAQNLSTRIKHM-AWEZNQCLSA-N 447.509 2.963 0 40 IFAB CCNC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 15023936 UZWNMAZSQGJHHC-UHFFFAOYSA-N 429.542 2.622 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)Nc3ccccc3C(N)=O)cs2)cc1 16848679 GXXKJKIHJWILMH-UHFFFAOYSA-N 444.538 2.923 0 40 IFAB CCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3Cl)CC2)cc1 19288078 BFOKXAWZZQOWRH-UHFFFAOYSA-N 428.964 2.775 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccnn2C)C1 19448897 DQPAQRBTXVAQHK-VWLOTQADSA-N 446.555 2.867 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2n[nH]c(O)n2)C1 19449342 QKSNGHLYSBNEIY-DEOSSOPVSA-N 433.512 2.777 0 40 IFAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 19555651 VQRQCALWAZSTTO-LJQANCHMSA-N 445.523 2.774 0 40 IFAB Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1 19569232 OKZYEUKDQYFOLL-QFIPXVFZSA-N 430.512 2.601 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)CN(C(=O)c1cccc(N3CCCC3)c1)C2 19701487 XSAKPDQKGLCGHP-SFHVURJKSA-N 436.541 2.855 0 40 IFAB CN(C)c1cc(CN(C)S(=O)(=O)Cc2cccc(Cl)c2)nc([C@H]2CCCNC2)n1 19709724 IWVOPKWPIMCGCH-INIZCTEOSA-N 437.997 2.625 0 40 IFAB CNc1cc(CN(C)S(=O)(=O)c2cccc(Cl)c2)nc([C@@H]2CCCN2C(C)=O)n1 19760030 JIZXHTFNPPOOSO-KRWDZBQOSA-N 437.953 2.676 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 19899226 BZDPAWXWZLWUBU-UHFFFAOYSA-N 433.516 2.552 0 40 IFAB CCN(c1ccc(OCC(=O)NCCCn2ccnc2)cc1)S(=O)(=O)c1ccccc1 19937947 PQDIVWZUQYSRKV-UHFFFAOYSA-N 442.541 2.684 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c(OC)c1 22333463 IUHDKNIEFPXKHY-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)NCC3(N4CCN(C)CC4)CCCCC3)ccc12 22933420 DAHIMCZUUHEKPL-UHFFFAOYSA-N 427.545 2.547 0 40 IFAB biogenic O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccncc2)CC1)c1cccs1 23882624 WTOSGDLAJFZYLN-NRFANRHFSA-N 434.565 2.829 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(NC(=O)c2cccs2)c1 24029090 JYUREEKBNWIBOS-UHFFFAOYSA-N 440.506 2.678 0 40 IFAB CCOc1ccc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 24770899 ADUSHWRTCNZGAS-UHFFFAOYSA-N 436.505 2.526 0 40 IFAB CCn1c(=O)n(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc21 25638392 QYGXATIUJCTTBJ-JOCHJYFZSA-N 440.519 2.542 0 40 IFAB COc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 27295319 NXJXIXCAELTSQG-VQIMIIECSA-N 437.496 2.907 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31582993 DEWSLVZWIHTUBA-KRWDZBQOSA-N 427.526 2.853 0 40 IFAB Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)cn2c1 32829682 PMYUMDWCWNAJKS-CALCHBBNSA-N 443.525 2.798 0 40 IFAB CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 35362590 WFYMLBCNBAOCDV-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB CC(=O)Nc1cccc(-n2c(SCCCN3C(=O)NC(C)(C)C3=O)nnc2C2CC2)c1 40089710 KAAAVVHQEAGTRK-UHFFFAOYSA-N 442.545 2.916 0 40 IFAB O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72380198 ZMHFUFCPSMSHHW-CYBMUJFWSA-N 447.417 2.763 0 40 IFAB COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1Cc1ccccc1 72403512 BJRCENWXHBEDRG-UHFFFAOYSA-N 426.502 2.805 0 40 IFAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)NC)cc1)c1ccccc1OC(F)F 78932334 TVIVGPXGDVNGSG-MRXNPFEDSA-N 440.468 2.689 0 40 IFAB O=S(=O)(C1CCCCC1)C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 96104384 IXEHAVBNNVUJMQ-UHFFFAOYSA-N 427.466 2.706 0 40 IFAB Cn1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)CC2)ccc1=O 100223505 GSTPUHTXZGCRHZ-ZRGWGRIASA-N 428.558 2.646 0 40 IFAB CN(c1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(Cl)c1)S(C)(=O)=O 222525172 NDVFEVLXXWNWPJ-UHFFFAOYSA-N 426.907 2.777 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 223699744 UVSMJTYSABFXPK-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB CN1CCC(Oc2ccc(NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 225251400 MNOBGJYVNMCBQN-UHFFFAOYSA-N 447.557 2.573 0 40 IFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 248381515 UCASHEFULBEDKL-MKXGPGLRSA-N 438.281 2.917 0 40 IFAB COc1ccc2c(c1)CC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C2 680058805 NANRNEIBUXYTFY-IEBWSBKVSA-N 434.583 2.974 0 40 IFAB C[C@]1(c2cccc(CNC(=O)N3CCO[C@H](c4ccccc4Cl)C3)c2)NC(=O)NC1=O 1115985782 NQPRURQGHSXJCL-PGRDOPGGSA-N 442.903 2.678 0 40 IFAB Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@@H]4C3)n1)CCC2 1888876456 QZGINFCALKPZRS-GJZGRUSLSA-N 428.334 2.640 0 40 IFAB COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 1888921853 FDBYOVSGFKIWSJ-UHFFFAOYSA-N 427.530 2.571 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 1372367 JGJRLBZBMSSWGR-UHFFFAOYSA-N 439.331 2.604 0 40 IFAB Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 2652941 VGQOAZKXYNEGFJ-UHFFFAOYSA-N 428.466 2.862 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)NCc1ccc(F)cc1 3425586 PZTNIEACUBHINC-UHFFFAOYSA-N 448.516 2.864 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 6623359 IUXWKUUQOYPDPT-YUNKPMOVSA-N 425.503 2.628 0 40 IFAB Cc1cc(O[C@H](C)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2c(C)cc(=O)oc2c1 8879210 NIYUNFSVJZLKDB-KURKYZTESA-N 434.492 2.985 0 40 IFAB biogenic Cc1cccnc1-n1c(=O)c2c3c(sc2n(CCCN(C)C)c1=O)COC(C)(C)C3 9060690 FGVRWXPVUZIECW-UHFFFAOYSA-N 428.558 2.720 0 40 IFAB CCn1cc(C(=O)NCCC(=O)N[C@@H](C)c2ccccc2)c(=O)c2cc3c(cc21)OCO3 9435399 IXBMUBCMKWOTKN-HNNXBMFYSA-N 435.480 2.747 0 40 IFAB COc1ccc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1S(=O)(=O)N(C)C 9672277 FKWONXGRNOYIAE-IBGZPJMESA-N 430.530 2.949 0 40 IFAB CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 9724578 YKAHGHBLXKJBIU-SJLPKXTDSA-N 435.933 2.730 0 40 IFAB COCCn1cc(C(=O)NCc2c(F)cccc2F)c2nn(-c3ccccc3)c(=O)c-2c1 10062754 LIKVINLKBWYJDS-UHFFFAOYSA-N 438.434 2.993 0 40 IFAB COc1cc(OC)c(C2=CCN(CC(=O)Nc3sccc3C(N)=O)CC2)c(OC)c1 11060546 GKHDQZUMRJCZGY-UHFFFAOYSA-N 431.514 2.601 0 40 IFAB COc1cccc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c1OC 11130028 OKLFPRLPVXGJKA-OAHLLOKOSA-N 435.498 2.521 0 40 IFAB COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccncc3)nn2)c(C)c1C 11697887 ZUYASNWKWPCHEY-UHFFFAOYSA-N 428.518 2.631 0 40 IFAB COc1cc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc(OC)c1 12143390 RZTODWSSISSJKD-QHCPKHFHSA-N 440.519 2.980 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1 12736918 BWQJOKORUACKNF-UHFFFAOYSA-N 444.557 2.626 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 12860077 JSDRRTOADPPCHY-WTNAPCKOSA-N 438.524 2.567 0 40 IFAB biogenic,in-vitro CCCOc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1 13364431 CTQDXVMSOABJKD-UHFFFAOYSA-N 436.512 2.879 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 14067603 YCMCMRBTADJWAR-GOSISDBHSA-N 447.520 2.899 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15407041 JQPMTTSJVVYBIB-INIZCTEOSA-N 427.526 2.754 0 40 IFAB CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16022143 TUBRIGMLJAQQEY-PDFGSZSQSA-N 435.499 2.835 0 40 IFAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)c1 16215338 OHYSLGYTXRDBBD-UHFFFAOYSA-N 434.514 2.942 0 40 IFAB CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(Cl)cc1 16678351 OSRLQJQPYOGHIU-UHFFFAOYSA-N 439.940 2.839 0 40 IFAB Cc1cc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)nc2-c2ccco2)on1 19121134 XREKJTPYIXTUFO-UHFFFAOYSA-N 434.408 2.877 0 40 IFAB O=C(c1cccs1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19337581 QAZITFKTGBFUOV-GOSISDBHSA-N 449.536 2.792 0 40 IFAB COc1ccc(NCc2cc(-c3ccccc3)c[nH]c2=O)cc1NC(=O)CN1CCOCC1 19559671 VJTXYWISTRVSQJ-UHFFFAOYSA-N 448.523 2.933 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)N3CCCN=C3c3cnn(-c4ccccc4)c32)c1 19565545 GQAACDMVNGGEEE-UHFFFAOYSA-N 444.495 2.590 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19566966 RDXYFTFLDXIQTB-QGZVFWFLSA-N 440.525 2.636 0 40 IFAB COc1ccccc1CN1CCc2c(nc([C@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1 19570673 UMFLOZBOMYLQFP-IBGZPJMESA-N 436.556 2.843 0 40 IFAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 19694588 PXKURMGYVXITLK-SFHVURJKSA-N 430.512 2.723 0 40 IFAB CN1C[C@H](c2ccc(CN(C)C(=O)CCn3ccnc3-c3ccccc3)cc2)[C@@H](C(N)=O)C1 19699239 GIDRVBWTZXEGOL-PKTZIBPZSA-N 445.567 2.729 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O 19699605 VVFMAGXIEVGGCH-IBGZPJMESA-N 446.592 2.517 0 40 IFAB CCCN1C[C@H](C(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)CC1=O 19708368 PDJIBQBWXZWJIH-QGZVFWFLSA-N 441.557 2.755 0 40 IFAB Cc1c(C(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)cnn1C 19756308 LAJKYJPWUGUKMR-UHFFFAOYSA-N 438.507 2.948 0 40 IFAB O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)n[nH]1 21152005 XTOWNIMQSZSWBQ-UHFFFAOYSA-N 430.917 2.601 0 40 IFAB O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccccc1I 22914224 NZUGDLIGAKLFPM-UHFFFAOYSA-N 425.270 2.641 0 40 IFAB C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 23248679 SPXPQXZKOQRHRD-LBPRGKRZSA-N 432.874 2.582 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 24613051 ANNQFILTULQEBM-UHFFFAOYSA-N 434.489 2.793 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@H](c3ccc(OC)cc3)c3nccn3C)ccc21 29132732 YZECMQLFXUINGQ-OAQYLSRUSA-N 431.496 2.986 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 30854587 PGGPWBTZCWGQFR-QGZVFWFLSA-N 448.541 2.739 0 40 IFAB O=C(NCCCN1CCCC1=O)C1CCN(c2ncnc3c2sc2ncccc23)CC1 32985944 SDEOEEYZEDNMOR-UHFFFAOYSA-N 438.557 2.585 0 40 IFAB CCN(CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)C(=O)OC(C)(C)C 36393905 FANJJDLPKQEUCT-INIZCTEOSA-N 449.548 2.820 0 40 IFAB COCCNC(=O)Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 39556712 RAAITIZEAKTGGW-UYRXBGFRSA-N 434.521 2.666 0 40 IFAB Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)N=C(C(=O)N1CCOCC1)S2(=O)=O 49402757 KSBQCAJUWNTFMK-UHFFFAOYSA-N 433.917 2.615 0 40 IFAB Cc1ccc(S(=O)(=O)n2cc(-c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)cn2)cc1 49600870 DCTKRRXENOZWIC-UHFFFAOYSA-N 442.522 2.837 0 40 IFAB Cn1c(N)c(-c2csc(-c3ccc(NC(=O)c4cccs4)cc3)n2)c(=O)n(C)c1=O 58229246 HDXFWWSXIYVSOA-UHFFFAOYSA-N 439.522 2.771 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)n1 61984109 JYPFJJBUXRBYBF-GFCCVEGCSA-N 432.527 2.809 0 40 IFAB Cc1ccc(Cl)cc1NC[C@@H](C)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 65095237 SBMPNOWQVONLNA-SECBINFHSA-N 440.729 2.896 0 40 IFAB COc1cc2c(=O)n(CCO)c(=O)n(Cc3ccc(Cl)cc3Cl)c2cc1OC 71282673 YUVFDOUKBLCZBR-UHFFFAOYSA-N 425.268 2.528 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72325843 RXPQJVLPFUDFDU-UVQUFPMPSA-N 432.952 2.899 0 40 IFAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O 72370620 JQVIYCCHOJBPMV-INIZCTEOSA-N 438.553 2.750 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3cccn3C)CC2)cc1 78877627 RXNBVOBFHITIEX-SFHVURJKSA-N 447.601 2.962 0 40 IFAB CC(C)[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 95482664 YTDRGLZIXMQYTK-QGZVFWFLSA-N 434.903 2.764 0 40 IFAB O=C(O)[C@@H]1CCCN1C(=O)CC12CC3CC(C1)CC(CC(=O)N1CCC[C@H]1C(=O)O)(C3)C2 95870108 BCSUFOPZBYZULJ-IDVZWQJJSA-N 446.544 2.504 0 40 IFAB C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1)c1cc2ccccc2o1 95961231 LQOGRHBNSHAYKC-IBGZPJMESA-N 426.561 2.630 0 40 IFAB COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc(Cl)c1OC 96012031 QUVCZEFUHSXOIG-FPYGCLRLSA-N 425.890 2.775 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 100664371 AMXSMFQLGWWOJK-RYHFGDAJSA-N 434.275 2.772 0 40 IFAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2N2CCCN12 102706698 PMSDETNOPBQOLI-GUDVDZBRSA-N 442.313 2.993 0 40 IFAB O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCN(c2ccccc2F)CC1)n1ccccc1=O 199403304 QGERDIPXJGPTNF-JOCHJYFZSA-N 437.446 2.899 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1cccc(C)c1)S(C)(=O)=O 220499642 CMVYMXCMBLWEGY-HXUWFJFHSA-N 445.585 2.897 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1ccc(Br)cc1 223642782 JCNFKDOMXILNMO-UHFFFAOYSA-N 441.347 2.548 0 40 IFAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 224383031 CZRKIEGQULERJM-UHFFFAOYSA-N 441.553 2.669 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224732501 QLYGKQZXYMDJEH-SESVDKBCSA-N 439.556 2.580 0 40 IFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)cc1 225684788 SMZDCRCZOXBGDD-UHFFFAOYSA-N 446.510 2.527 0 40 IFAB COc1cc(CN(C(C)=O)c2ccc(N3CCOCC3)c(C(=O)O)c2)cc(OC)c1OC 408565269 JFDAVOYDJPJZPU-UHFFFAOYSA-N 444.484 2.800 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 409062050 MQSJTNJFQJLYBJ-LMOLPZMTSA-O 448.474 2.859 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cc(Br)cs3)CC2)c1=O 575606191 DZJOFIFMISWYIK-UHFFFAOYSA-N 439.257 2.902 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(Cc1ccnn1C)CC2 1549168660 XLRQKLXMKQLFQL-QFIPXVFZSA-N 435.572 2.635 0 40 IFAB CC(C)(C)c1cc(C(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)[nH]n1 1775972434 GEZMJYNKTOJGII-UHFFFAOYSA-N 436.442 2.516 0 40 IFAB Cc1ccnc(N2CCC[C@@]3(CCCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)C2)n1 2056224837 YLWNRNBFWQLNEE-JOCHJYFZSA-N 444.557 2.628 0 40 IFAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc3c(c2)OCO3)C1=S 868473 LWCXHMDYZMMVSV-QGZVFWFLSA-N 441.509 2.770 0 40 IFAB CC(=O)c1cccc(N2CN=c3s/c(=C\c4cccc(Br)c4)c(=O)n3C2)c1 2327412 DNCGBLUAXARJFP-NVMNQCDNSA-N 442.338 2.759 0 40 IFAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(C[C@H]5CCCO5)c(C)c(C)n34)n(C)c2=O)c1 6321608 OMBDCOXULRYZIL-LJQANCHMSA-N 435.528 2.610 0 40 IFAB COc1cccc(NC(=O)NC2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)c1 6552140 ZQXQOFISQNXAPJ-UHFFFAOYSA-N 439.495 2.655 0 40 IFAB CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)CC1 6953232 ZDPUACFHLUSXQU-LJQANCHMSA-N 429.586 2.823 0 40 IFAB CCOc1cc(C(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc(OCC)c1OCC 8594581 BXOOCWYXJXNJCK-UHFFFAOYSA-N 441.484 2.686 0 40 IFAB O=C(Nc1nc2cc3c(cc2s1)OCO3)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8897699 UNAGHSDYSXZAJJ-CQSZACIVSA-N 449.485 2.956 0 40 IFAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9349411 OOOGRNSRCVNOSY-UHFFFAOYSA-N 432.567 2.927 0 40 IFAB O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)cc1 9359971 ZPUIQBHQSAJUFT-VDNWNZSNSA-N 425.847 2.910 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3cccc(Cl)c3)c2)CC1 9463752 QPCHUEBTKYEOQG-OAHLLOKOSA-N 449.960 2.684 0 40 IFAB CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 9508845 BUTFBGFYPTXZQF-UHFFFAOYSA-N 427.935 2.507 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cc(C)ccc3C)C2=O)cc1Cl 9675001 RODLKIMCNVZDPM-MOPGFXCFSA-N 441.875 2.897 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1S(=O)(=O)N1CCCC1 9885413 DIPPXSHFUKDPNZ-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB COc1cc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc(OC)c1 10131863 YWIDYMIWIBTCDO-UHFFFAOYSA-N 425.441 2.583 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Cl 11668776 TVBJIIPILUCJIX-GOSISDBHSA-N 436.917 2.914 0 40 IFAB CS(=O)(=O)N1CCc2cc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 12188762 GMDATUMUIGETSO-PKTZIBPZSA-N 448.560 2.555 0 40 IFAB CCOC(=O)CCNC(=O)N1CCn2cccc2[C@@H]1c1cc(OC)c(OC)c(OC)c1 12344913 GOALGPKYNLYIMU-FQEVSTJZSA-N 431.489 2.582 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)N1CCC(Cc2ccccc2)CC1 12770552 MAMCNKWJNFUPGP-UHFFFAOYSA-N 425.510 2.520 0 40 IFAB COc1ccccc1C(=O)NCCC(=O)N(C)CC(=O)Nc1ccccc1Br 12916267 JTKASHSFHWQLMA-UHFFFAOYSA-N 448.317 2.675 0 40 IFAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 12999948 QULNHEPLPMDMHE-UHFFFAOYSA-N 432.571 2.567 0 40 IFAB COc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)c1 13151082 NUECIWLUUKLRBV-UHFFFAOYSA-N 442.497 2.813 0 40 IFAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 13361637 CVQRHMLKWFJPEG-AIELTSAVSA-N 448.544 2.982 0 40 IFAB CCOC(=O)c1sc(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccccc2)c1C 14152832 ARDZNSQPZHNFJG-UHFFFAOYSA-N 431.514 2.756 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 14462629 GJVRCSRXZGUPOV-CQSZACIVSA-N 429.523 2.687 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 15513411 NOMSHGONLXPNPZ-ZDUSSCGKSA-N 431.466 2.932 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 15541557 UNCUHXILZUAJIN-UHFFFAOYSA-N 438.465 2.918 0 40 IFAB Cc1ccccc1-n1ccn(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1=S 15545004 HCIHJDAVVUHOSF-UHFFFAOYSA-N 447.586 2.886 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1 19123121 WPHZTDNLIHGOBY-UHFFFAOYSA-N 447.543 2.607 0 40 IFAB Cc1cnc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccc(F)cc2)cn1 19238970 DWNREEZPFOHSTE-IBGZPJMESA-N 430.443 2.783 0 40 IFAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)c2cc(C(F)(F)F)[nH]n2)cnn1-c1ccc(F)cc1 19337109 QDNRNRXQFFMRTE-AWEZNQCLSA-N 436.369 2.823 0 40 IFAB CCn1cc([C@H](O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21 19524774 ZMHZMNZFSVWEQE-HSZRJFAPSA-N 443.569 2.710 0 40 IFAB CCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527459 CXOUSVXKMCQSRP-RBBKRZOGSA-N 437.515 2.621 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)cc1OC 19560410 RXMXOSGSLZGFGQ-INIZCTEOSA-N 443.525 2.507 0 40 IFAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 19583553 CQLPUAQZXYMAAB-MRXNPFEDSA-N 435.406 2.935 0 40 IFAB O=C(c1ccccc1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699392 IONVZXCBZQIJIH-QFIPXVFZSA-N 446.551 2.878 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 19744399 IZTLDDUNTKEPAW-LJQANCHMSA-N 442.523 2.727 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 22090806 RLEYSZQGYKCNCG-UHFFFAOYSA-N 444.605 2.523 0 40 IFAB COc1ccccc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22928986 LRFBUIWOKZSDOB-QPPBQGQZSA-N 448.571 2.768 0 40 IFAB COc1ccc(CN2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3C)CC2)cc1F 24978038 FULJFMAHJKXTFR-UHFFFAOYSA-N 435.521 2.608 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)Nc1ccc(Cl)cc1 25100119 FBNJKLJUQPOVNJ-MRXNPFEDSA-N 442.855 2.911 0 40 IFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 29959363 YIZPWNAHGWUXMC-AWEZNQCLSA-N 438.431 2.599 0 40 IFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 31034430 KUIUWAZJMHGGCT-LJQANCHMSA-N 433.455 2.733 0 40 IFAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1nnc(C2CC2)s1 44893322 GMAZIJQBSIBMJU-LBPRGKRZSA-N 434.953 2.928 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc(N)nc(Nc2ccccc2C)n1 57296754 GQYZONXJNPBGPM-UHFFFAOYSA-N 449.515 2.738 0 40 IFAB O=C(c1nnc2sc(-c3cccc(I)c3)nn12)N1CCCC1 57354603 PHZIZIWUKCOJRH-UHFFFAOYSA-N 425.255 2.693 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2cccc3cnccc23)CC1 58004280 WAROHZKSULGARH-UHFFFAOYSA-N 431.562 2.894 0 40 IFAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1 58086204 CRTGBTBLRPOSSP-UHFFFAOYSA-N 433.512 2.520 0 40 IFAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NCCNc1ccc(C(F)(F)F)cn1 58157649 KXMBHTODINIECT-UHFFFAOYSA-N 436.843 2.967 0 40 IFAB COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 58175636 KWRUZXOAEZMJFA-YLJYHZDGSA-N 433.549 2.875 0 40 IFAB Cc1csc(NC(=O)Cn2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2=O)n1 61721105 NYCMHRKNEIEAGT-UHFFFAOYSA-N 444.948 2.627 0 40 IFAB O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 71003109 PDDZGFNPPSRRBI-UHFFFAOYSA-N 445.277 2.943 0 40 IFAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 72348303 QJQHACNMSBUVKR-CYBMUJFWSA-N 440.887 2.843 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 72399040 AWWWCHALKPRVBW-AWEZNQCLSA-N 428.558 2.782 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 72405121 HWRBTWOIOMFDGI-MRXNPFEDSA-N 426.498 2.874 0 40 IFAB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3)C2)cc1 79112254 BAXKFXKNTQFLND-LJQANCHMSA-N 437.543 2.568 0 40 IFAB O=C(O)CCNC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)cc1 95425082 SWZOLEPANOZJRX-UHFFFAOYSA-N 447.373 2.743 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 96269012 LSKAKALZXUUUSN-OAHLLOKOSA-N 432.420 2.578 0 40 IFAB biogenic,in-vitro CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(Br)cc1 96520802 PDXMAWFQMHEZDQ-MRVPVSSYSA-N 436.947 2.971 0 40 IFAB CCOCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 100873617 UFLWVKBHNUKZEP-MNDPQUGUSA-N 445.975 2.843 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 105881769 SYHJUOTXUQOPJS-ZTTFOMCMSA-N 448.585 2.815 0 40 IFAB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(Br)cc1 113892640 JUFSBNYGGJRMJS-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 224366580 ZCDZENZNITVDQA-UHFFFAOYSA-N 446.447 2.805 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)cc1 225072358 GNIOEJBGBBDURF-UHFFFAOYSA-N 445.566 2.948 0 40 IFAB CC(C)n1c(=O)sc2cc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)ccc21 225146406 WRGNIMYXPFXVCE-UHFFFAOYSA-N 448.570 2.895 0 40 IFAB COc1cc(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)ccc1OC(C)C 225580204 SQBSGPWWNKYUCW-UHFFFAOYSA-N 434.558 2.869 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3cc(Br)ccc32)cc1 226035174 MOMYLRKJEFXEIT-UHFFFAOYSA-N 439.331 2.668 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 260622218 RWGRIAADLRVALB-WMZOPIPTSA-N 432.542 2.982 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408616832 BGDJCGQEFRCESO-LJQANCHMSA-N 445.585 2.718 0 40 IFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408695340 RWIPZBAJXFVCRO-UHFFFAOYSA-N 439.484 2.898 0 40 IFAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c(C)c1 409025079 LHRJXXBMXAUKBF-UHFFFAOYSA-N 429.542 2.944 0 40 IFAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OC)cc2)C1=O 409209692 HFQWONSDBOKFIM-ATVHPVEESA-N 434.514 2.923 0 40 IFAB Cc1nc(C)c(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 585102203 PAGSOSKJXZNMNJ-WIYYLYMNSA-N 437.512 2.714 0 40 IFAB COC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)c1ccccc1F 610894304 QAOBOLORMCCBLV-WOJBJXKFSA-N 429.423 2.524 0 40 IFAB CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCCC2)C1 1513542194 BQQFJEFAYRHRQT-HSZRJFAPSA-N 430.597 2.933 0 40 IFAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775969033 UHCDWDRQEJNLSD-QGZVFWFLSA-N 439.493 2.923 0 40 IFAB Cc1cc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)nc(N2CCOCC2)n1 1889124991 FUTLWEVMRVWKKI-UHFFFAOYSA-N 426.418 2.501 0 40 IFAB COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3 4354900 IBYJGZVBJORLLO-UHFFFAOYSA-N 433.555 2.985 0 40 IFAB COc1cc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC 8693818 RCKSQQAXMMMRHX-UHFFFAOYSA-N 436.530 2.842 0 40 IFAB Cc1nn(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCCC1 8754891 INUFXPHFDITWRV-UHFFFAOYSA-N 425.576 2.819 0 40 IFAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 9290108 ABXHHDUKOVHHKU-GFCCVEGCSA-N 445.574 2.816 0 40 IFAB O=C(CN1C(=O)N/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O)Nc1ccccc1 9908243 JCTRTBRDIRRIPG-UYRXBGFRSA-N 430.420 2.707 0 40 IFAB CCCCN(C(=O)c1cccc(NC(C)=O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9955429 SGXJWEGJOFFCBA-UHFFFAOYSA-N 449.511 2.572 0 40 IFAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C 10102847 CZRLQOOZQMSRSG-UHFFFAOYSA-N 431.496 2.722 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccc2Cl)c(C)c1 10112082 YSMYQDXROKAHCM-UHFFFAOYSA-N 435.933 2.672 0 40 IFAB Cc1nn(CC(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 11103377 CKPWFFITMGECEM-DNVCBOLYSA-N 430.574 2.946 0 40 IFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc2c(c1)OCO2 11758532 DDVCWJCGFQPRFQ-UHFFFAOYSA-N 438.444 2.868 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 12133238 MICDXLNZQMCGRO-UHFFFAOYSA-N 446.548 2.568 0 40 IFAB Cn1cc(-c2cc(C(=O)N3CCC(c4ncc(Cl)cc4S(C)(=O)=O)CC3)no2)cn1 12186901 MTFMTGNVFIOKMZ-UHFFFAOYSA-N 449.920 2.547 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237176 CGISISSJXCRGGN-SZNDQCEHSA-N 436.468 2.970 0 40 IFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc2c(c1)OCCCO2 12763186 HVXMRCCDHAZLPH-UHFFFAOYSA-N 430.404 2.524 0 40 IFAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C 12814042 JNEFCWHHLJGQPM-NRFANRHFSA-N 437.540 2.609 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)o1 12852979 NYKOESQJFJVEIY-UHFFFAOYSA-N 434.424 2.870 0 40 IFAB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13121155 QOXZJZFYESJGAT-UHFFFAOYSA-N 444.553 2.608 0 40 IFAB CN(C)CCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 13673190 MGYZEVZDGJTVEG-UHFFFAOYSA-N 443.491 2.969 0 40 IFAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 14233476 PXQHJNQBANGXBM-UHFFFAOYSA-N 427.320 2.508 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 14399722 WABHYQALDBLHLM-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB O=C(/C=C/c1ccc(Cl)s1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 14521071 RTOYIGYJZDZAQC-XBXARRHUSA-N 426.947 2.752 0 40 IFAB Cc1ccccc1NC(=O)CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C 15019720 UCWZFTNWVMRJKA-UHFFFAOYSA-N 445.570 2.821 0 40 IFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 15518158 CBDGGJNBUHNWGZ-LJQANCHMSA-N 434.544 2.731 0 40 IFAB CC1(C)O[C@H]2[C@H](COC(=O)c3ccccc3)OCO[C@H](COC(=O)c3ccccc3)[C@@H]2O1 17000819 PWLCYBVEONJDMJ-WOZUAGRISA-N 442.464 2.962 0 40 IFAB Cn1cc(C(=O)OCc2cc(=O)n3ccccc3n2)c(-c2ccc3c(c2)OCCCO3)n1 18960311 SFMZAYWZWBQVPX-UHFFFAOYSA-N 432.436 2.613 0 40 IFAB O=C1NCCN(C(=O)CCn2ccccc2=O)C[C@@H]1Cc1ccc(-c2ccccc2)cc1 19374182 DABVTRYNKUMUQR-QHCPKHFHSA-N 429.520 2.723 0 40 IFAB Cc1nn(CC(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)c(C)c1C 19556496 GCPCWQADSIUDMA-HXUWFJFHSA-N 426.565 2.824 0 40 IFAB COCCOc1ccc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19695076 OYCZDSWFODBVOB-GOSISDBHSA-N 448.527 2.655 0 40 IFAB Cc1cccc(CC(=O)N2CCC[C@H](N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)C2)c1 19699710 MHUXBCJYOSTCCO-NRFANRHFSA-N 440.588 2.571 0 40 IFAB CCN([C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1)S(=O)(=O)c1cnn(C)c1C 19712691 PFKGVNSYVLNJDN-UXHICEINSA-N 448.589 2.798 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862466 LYPKXYUWZZZPHH-INIZCTEOSA-N 434.489 2.793 0 40 IFAB Cc1ccc(Cn2ccc(NC(=O)C3=CC(c4cccs4)=NS(=O)(=O)N3C)n2)cc1 20367462 RONWOTUEQYJTOY-UHFFFAOYSA-N 441.538 2.803 0 40 IFAB O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2sc3ncnn3c2O)CC1 22609758 LNBUDALEZPGFSM-MRXNPFEDSA-N 427.461 2.776 0 40 IFAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2C1 22765383 RBNJJURPYJPKLN-UHFFFAOYSA-N 432.542 2.983 0 40 IFAB CCOC(=O)c1cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc(C(=O)OCC)c1 23039522 ZHVWPQBLZKIXIQ-UHFFFAOYSA-N 438.436 2.946 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 23135001 FXXCEZHPTMIBOJ-UHFFFAOYSA-N 431.500 2.500 0 40 IFAB CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccco1 23763503 PTJUNBQCRPSWAQ-KBPBESRZSA-N 449.533 2.598 0 40 IFAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 25154113 UCIUEWYYTLIJQW-LJQANCHMSA-N 448.976 2.897 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30573564 XZBBJFHLFQFECB-KRWDZBQOSA-N 426.542 2.713 0 40 IFAB O=C([C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1)N1CCOCC1 32741723 UXXMBZLZJQNYRE-NFBKMPQASA-N 438.505 2.759 0 40 IFAB COc1ccc(-c2cc3c(nc(C)n3[C@H]3CCS(=O)(=O)C3)c(C(=O)NC3CC3)n2)cc1 35683010 WQJVBQWBLVUTHO-INIZCTEOSA-N 440.525 2.667 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(-c2c(OC)c(C(N)=O)cn2C)n3C)cc1 36369956 KJXCKEHEFOROTE-UHFFFAOYSA-N 433.468 2.947 0 40 IFAB biogenic NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 40151682 MCWQNPKDOFHFAZ-QFIPXVFZSA-N 435.524 2.594 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O 40478199 DODWDWJRKSCRPJ-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1ccsc1 48248820 VZTKCKDLXAETPI-OXQOHEQNSA-N 449.598 2.933 0 40 IFAB O=C(C[C@@H](C(=O)O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 71325807 LYMVZQRFTFKRAR-SFHVURJKSA-N 430.888 2.913 0 40 IFAB CC(C)(C)c1csc(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)n1 72326082 QTGLGKYHYYGTHQ-JOCHJYFZSA-N 442.541 2.910 0 40 IFAB O=C1CCCN1CCCNC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 72393542 ULBUYGFIMLOLOL-UHFFFAOYSA-N 429.492 2.949 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 77200904 RGJNYQYYXMASOP-UHFFFAOYSA-N 432.498 2.663 0 40 IFAB CCCCNC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@]21CCN(CC)C1=O 96262815 ZLBORVHKYRTCOF-DEOSSOPVSA-N 427.593 2.728 0 40 IFAB CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 103279545 YKAHGHBLXKJBIU-FUHWJXTLSA-N 435.933 2.730 0 40 IFAB C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1ccccc1F)S(C)(=O)=O 220306764 FHCREWJGHWZSJU-OAHLLOKOSA-N 439.940 2.982 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222848929 JFZWMXRQKNUZHA-INIZCTEOSA-N 431.492 2.972 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 223354833 XCMGERHAQJQUIW-UHFFFAOYSA-N 432.527 2.628 0 40 IFAB C[C@@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O 224795071 AVFUBZAMTWNBCG-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB Cc1ccc2nc(C)c(C(=O)NCCc3ccc(S(=O)(=O)N4CCCC4)cc3)n2c1 226096320 MBNXLYOVSUGAJN-UHFFFAOYSA-N 426.542 2.708 0 40 IFAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(S(=O)(=O)c1cn(C)cn1)[C@H]2Cc1ccccc1 257252075 JTKWFRLFHVXWOE-XANJAXJYSA-N 442.585 2.584 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408593205 POSLWAQWGRPQRY-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(F)cc2)cc1 408630383 SUVOPNNDZUVYTP-UHFFFAOYSA-N 430.505 2.732 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408656066 IIWIJDDWYOSVTF-HPSDOGTCSA-N 439.295 2.895 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 408662819 PQFRHPFCQBRXNR-INIZCTEOSA-N 426.469 2.801 0 40 IFAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cncc(Cl)c1 533174077 HYQTWRLGMTYNPX-HXUWFJFHSA-N 429.929 2.941 0 40 IFAB COc1ccc(N2C(=O)NC(=O)/C(=C(\C)NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 575443641 FRFKRRUWGVPXKF-STZFKDTASA-N 448.479 2.874 0 40 IFAB O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 585139048 CLWOVARCSUXWAH-HDICACEKSA-N 433.530 2.687 0 40 IFAB O=C(NCCc1c[nH]c2c(Cl)cccc12)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1642963089 NLKNONYXJQZUQF-OXQOHEQNSA-N 443.906 2.824 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1OC 2647393 VNYKHALUBMTFPA-SFHVURJKSA-N 429.904 2.811 0 40 IFAB COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(OC)cc3[nH]c2=O)N2CCCC2)cc1 6239865 MJGCBUCBNWZCJX-QFIPXVFZSA-N 446.511 2.765 0 40 IFAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@]2(C)CCS(=O)(=O)C2)c1 8877617 FMMIXICJBZMEQT-JOCHJYFZSA-N 443.500 2.994 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 9005286 HEGPVUKPHYLKFC-HXUWFJFHSA-N 432.523 2.584 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1 9302954 MBAYEIOOGYAWMY-SFHVURJKSA-N 441.553 2.936 0 40 IFAB Nc1nc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)nc(Nc2ccc(F)cc2)n1 9336592 YYTQAFHKBLGKMF-FQEVSTJZSA-N 439.476 2.682 0 40 IFAB CCCn1c(N)c(N(CCOC)C(=O)c2cccc(Oc3ccccc3)c2)c(=O)[nH]c1=O 9575712 LRTCDEOWYAMYCE-UHFFFAOYSA-N 438.484 2.614 0 40 IFAB CCCCn1c(N)c(N(C(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)C2CCCC2)c(=O)[nH]c1=O 9723395 TYCUCMYWALTASJ-ZWKOTPCHSA-N 445.608 2.707 0 40 IFAB CCCCc1ccc(NCCN2N=C(C)[C@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 10108876 YXJLGJXOXSPMMC-INIZCTEOSA-N 437.548 2.645 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1 10186726 RZIQHOQBNPCMSS-UHFFFAOYSA-N 449.536 2.865 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1Cl 10332662 SFOJIBNTFYTURO-LLVKDONJSA-N 426.878 2.840 0 40 IFAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 10635272 SPBIBWHKZIVCPK-LLVKDONJSA-N 433.386 2.814 0 40 IFAB COc1cccc(O[C@H](C)C(=O)N2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)c1 12219674 OOJZGPBNKNYUFT-OAHLLOKOSA-N 435.484 2.821 0 40 IFAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 12444297 NJKQXLQOMXQKMK-UHFFFAOYSA-N 431.481 2.846 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@H]3C)CC2)cc1C 12825685 DZORHUYXYGORGS-GOSISDBHSA-N 436.574 2.648 0 40 IFAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 12855071 FWEGZPSZYGLHMK-UHFFFAOYSA-N 435.933 2.592 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN[C@H](C)c3cccc(F)c3)cc2)C[C@@H](C)O1 13096466 FBRIVQXFKBCLNB-IXDOHACOSA-N 449.548 2.913 0 40 IFAB NC(=O)C1CCN([C@H](c2ccccc2Cl)c2nnnn2Cc2ccc(F)cc2)CC1 13504873 SMVOHGPNXJBDGD-LJQANCHMSA-N 428.899 2.801 0 40 IFAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1nnc2c3ccccc3cnn12 15765211 QKTUZQWIWMMQTO-CMDGGOBGSA-N 440.385 2.805 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1)C2=O 16140040 HEEYMOMHYNWCQG-HRZDDSQGSA-N 429.517 2.686 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc2ccccc12 16544908 SNRATJOEZUSPFO-UHFFFAOYSA-N 426.494 2.878 0 40 IFAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3c(C)nn(C)c3C)n2N)c(C)c1 18372585 QNMIQBARMBHSKO-OAHLLOKOSA-N 429.550 2.657 0 40 IFAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)N1CCN2CCC[C@H]2C1 19369829 HAHMRWMEWTYWNY-NRFANRHFSA-N 441.535 2.808 0 40 IFAB CCN(CC)CCCNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 19526369 AOCPGBLNRNGCOP-UUOWRZLLSA-N 429.561 2.640 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2ccccc2)CC1 19573767 XZMNNCLKKFUVPO-UHFFFAOYSA-N 428.558 2.890 0 40 IFAB CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cn2nc(C)nc2C)CC1 19700208 IQPUEVNEFYPSMO-UHFFFAOYSA-N 446.555 2.554 0 40 IFAB CC(=O)NCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 19753610 GNKOVMAHHQSUMU-SFHVURJKSA-N 429.908 2.880 0 40 IFAB CC[C@H](C)NC(=S)N(CCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 20081318 OZIOZRFCUIBKPI-KRWDZBQOSA-N 430.618 2.952 0 40 IFAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 28751942 RKGXECVHGCJWCG-MBSDFSHPSA-N 436.556 2.660 0 40 IFAB COC(=O)c1cc(-c2cn(C)nc2C)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC 36617106 FXVMWLOKRDFAGJ-UHFFFAOYSA-N 437.481 2.947 0 40 IFAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCOCC2)CC1 40033640 PEKOKYABWSMTQE-RUZDIDTESA-N 446.551 2.568 0 40 IFAB Cc1nc(C(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)nn1-c1ccccc1C(C)C 70004668 UABBDOSGSTXNGB-OAHLLOKOSA-N 441.479 2.893 0 40 IFAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(-c3cccc(CO)c3)n2)C1 72350150 LGVYCNRYWXPYNM-LJQANCHMSA-N 426.542 2.851 0 40 IFAB Cc1cccc2nc(CNS(=O)(=O)c3ccc(CCNC(=O)C(C)(C)C)s3)cn12 95457542 IGOFOLXFOYBFDV-UHFFFAOYSA-N 434.587 2.888 0 40 IFAB COc1ccc2[nH]c(=O)c([C@H]3SCC(=O)Nc4c3c(O)nn4C3CCOCC3)cc2c1 96118093 GVGHGSHMCIZLLA-GOSISDBHSA-N 442.497 2.565 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 220229607 BGZATMRWFUKXRE-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1cccnc1 223133937 AOSVNYYXTIDCSH-DHIUTWEWSA-N 448.596 2.880 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCc2ccccn2)s1)c1ccc(Cl)cc1Cl 223258607 WXPAIAYMNNIIBH-UHFFFAOYSA-N 444.325 2.971 0 40 IFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)CC1 223733362 HGCQIEUYGIVFPN-UHFFFAOYSA-N 428.576 2.967 0 40 IFAB CC(C)CSc1nnc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)s1 225045934 ICOSMSHMBKGOCU-UHFFFAOYSA-N 432.568 2.826 0 40 IFAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1 225411377 HLTIRFVVPLOXKB-OALUTQOASA-N 427.555 2.969 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225735998 BJZAXXQITPSFRP-OAHLLOKOSA-N 429.420 2.901 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CCc3[nH]nc4c3CCCC4)C2)nc2c1CC(=O)N2CC1CC1 257304188 SKKXDXYKWPHYHD-KRWDZBQOSA-N 448.571 2.635 0 40 IFAB O=C(NCC1CCCCC1)c1cn2c(nc1=O)C1(CCN(C(=O)c3cccnc3)CC1)CC2 306135204 OKTPVROJUVYPON-UHFFFAOYSA-N 449.555 2.526 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1ccc2c(c1)OCO2 408732271 SZMFDXNFQSSCQU-XQJRBFNUSA-N 448.500 2.636 0 40 IFAB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408771180 DIOSDWJZGSKCHW-HNNXBMFYSA-N 436.530 2.822 0 40 IFAB CN(C[C@@H]1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)CO1)[C@H]1CC[C@H](O)CC1 585104540 QADCGHFHNREWRI-FKBYEOEOSA-N 436.618 2.623 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC 656217 ZJFBICTVYRZQIB-UHFFFAOYSA-N 441.509 2.611 0 40 IFAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 2049068 MVXNAJNGLVQNKU-NVVBAYIOSA-N 446.569 2.957 0 40 IFAB biogenic,in-vitro CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2C1 8840423 HGVWXEWHYKZIMG-UHFFFAOYSA-N 428.963 2.990 0 40 IFAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 9103883 CJQLINDQZHBEMD-KBPBESRZSA-N 429.498 2.839 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 9128898 SLIDLXQIQRCBRI-KRWDZBQOSA-N 442.537 2.996 0 40 IFAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 9194514 YKDRYZPKZQHZJD-UHFFFAOYSA-N 446.569 2.998 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccc2c(c1)OCCO2 9376046 GVPBWWJAKNLWEI-UHFFFAOYSA-N 444.553 2.534 0 40 IFAB COc1ccc([C@@H]2[C@H](C(=O)O[C@@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 9538535 JXUJEYSAOSCDJG-QXATTWAWSA-N 440.496 2.914 0 40 IFAB C[C@@H]1Cc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2N1S(C)(=O)=O 9642277 MCPPREDRQSQFHK-QGZVFWFLSA-N 447.601 2.652 0 40 IFAB COc1ccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)cc1OC 9713931 XSGOSIYLDFYXFM-UHFFFAOYSA-N 426.498 2.941 0 40 IFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9731557 YNQUDYHZVYWBDF-CYBMUJFWSA-N 428.967 2.662 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(-n3cccn3)cc2)NC(=O)N[C@@H]1c1ccccc1 9797961 FROWACBPRIUUGN-OAQYLSRUSA-N 446.463 2.900 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 9910192 ZFCZDKYKKDGPHC-KRWDZBQOSA-N 433.574 2.899 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)s1 10086368 PAJVFMWFSIWBQK-UHFFFAOYSA-N 427.935 2.507 0 40 IFAB CC[C@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 10401469 RXISGEFZVGPMSP-INIZCTEOSA-N 430.526 2.900 0 40 IFAB COC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696197 USVRSDFONNVJCS-TZMCWYRMSA-N 448.570 2.593 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2)c(C)c1 13030258 PGKKRMFVEBZKDX-UHFFFAOYSA-N 430.505 2.999 0 40 IFAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O 13057392 KXKLRDIPAFMZBI-UHFFFAOYSA-N 443.548 2.635 0 40 IFAB CCC[C@H](c1nnnn1CCOC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13499509 BCPDIBANXRLROL-OAQYLSRUSA-N 442.564 2.504 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)CCCC4 13499913 PXUDTZPQIDSVHQ-UHFFFAOYSA-N 433.559 2.552 0 40 IFAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 13647027 GGUARDSGKFHZBB-SFHVURJKSA-N 437.606 2.864 0 40 IFAB CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713292 OZOQXMRDZZOMGS-LJQANCHMSA-N 434.558 2.916 0 40 IFAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)NCc1ccc2c(c1)OCO2 14015925 NTXPGLMOAWIJKU-LLVKDONJSA-N 431.905 2.838 0 40 IFAB CC1(C)C(=O)N=C(S)N2C(=O)C[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)N21 14607379 OCKLKKYYODROGZ-JTQLQIEISA-N 434.827 2.720 0 40 IFAB COc1cc(OC)cc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)c1 16047941 GIJRZDIKRBYNMJ-UHFFFAOYSA-N 431.470 2.865 0 40 IFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100622 ZVSUWYAOTPHDHM-AHRSYUTCSA-N 436.574 2.924 0 40 IFAB CC(C)CNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 17113225 PZYVMPKMICSIEQ-MRXNPFEDSA-N 428.963 2.805 0 40 IFAB COc1ccc(OC)c(Cc2ccc([C@@H]3CN(C(=O)c4cnc(N)nc4C)CCO3)nc2)c1 19692318 FZQBEQQIJRNDNL-QFIPXVFZSA-N 449.511 2.584 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)cc1 19694542 GCFFYGYSGMQHLS-HXUWFJFHSA-N 448.527 2.679 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19738828 GFMQOQUWCYWBSE-KRWDZBQOSA-N 448.502 2.767 0 40 IFAB COC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc(C(=O)OC)c1 20050079 CWDPOHTVHAPFKB-UHFFFAOYSA-N 440.861 2.537 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1cccs1 20559140 IXBDCALHSQALDB-FQEVSTJZSA-N 444.532 2.881 0 40 IFAB CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 20801825 SVNDDQBUNVOJCI-QGZVFWFLSA-N 431.496 2.986 0 40 IFAB COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1Cl 22227653 RMOIUHHVPKKLFD-UHFFFAOYSA-N 446.978 2.556 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 22228785 ZCCRUNNFRNJDDB-UHFFFAOYSA-N 447.532 2.734 0 40 IFAB CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22332438 DHCMULCIISBUIJ-SFHVURJKSA-N 436.530 2.746 0 40 IFAB CCOc1ccc(NC(=O)c2cnc3cc(C)nn3c2C)cc1S(=O)(=O)N1CCCC1 22690487 CYZDUHBLJXFLRV-UHFFFAOYSA-N 443.529 2.782 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccnc2-n2cccn2)cc1 23171486 ASPXEHIZXSTMHX-UHFFFAOYSA-N 441.513 2.509 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 23297392 PGFBBFNAHRAXSQ-UHFFFAOYSA-N 447.963 2.800 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(CN2CCOCC2)cc1 24572541 SNVGSJUJHJHYCI-UHFFFAOYSA-N 442.604 2.572 0 40 IFAB NC(=O)[C@H]1CC(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)=NN1c1ccccc1 24970795 ROHHOMGOOKVOQF-GOSISDBHSA-N 434.525 2.955 0 40 IFAB Cn1ncc2c(SCC(=O)N3CCN(Cc4cccc5ccccc45)CC3)ncnc21 25000629 PRGDCWAFRBIZGU-UHFFFAOYSA-N 432.553 2.953 0 40 IFAB CS(=O)(=O)NCCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)s1 25001256 UMVNPCHUMLPKNU-UHFFFAOYSA-N 435.596 2.822 0 40 IFAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(c2ncc(Br)cn2)CC1 32073112 CESURKBQAQQHRQ-QGZVFWFLSA-N 430.306 2.977 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2Nc2ccccc2F)NC(=O)N[C@H]1C 32910695 OHJQWHLDIDQPRU-LBPRGKRZSA-N 428.420 2.640 0 40 IFAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 35400026 ZDOMZTAEDOPKEF-HNNXBMFYSA-N 430.505 2.520 0 40 IFAB Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(Cl)cc1 40396017 KWTRXMQGKIEMAT-UHFFFAOYSA-N 431.843 2.847 0 40 IFAB COc1cc(CNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC 58823129 CXGFYBMBMUBNTB-UHFFFAOYSA-N 426.473 2.832 0 40 IFAB CCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)N(S(N)(=O)=O)CC3)cc1OC 59348787 UZZRHPWPONCMPS-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)CC2)c1 62022892 NMRIEBKJODMSIK-OAQYLSRUSA-N 445.571 2.844 0 40 IFAB Cc1ccc(-n2c(O)nc3nc(N4CCN(c5ccccc5F)CC4)ncc3c2=O)c(C)c1 67283385 BJPGYQKZMNSOBN-UHFFFAOYSA-N 446.486 2.964 0 40 IFAB O=S1(=O)CC[C@@H](c2nnc(C3(c4ccc(Br)cc4)CCOCC3)o2)C1 72273536 OYOVGDIQICJLIR-GFCCVEGCSA-N 427.320 2.831 0 40 IFAB O=C(Cc1ccccn1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348010 TUQDSCWOKXANGT-FQEVSTJZSA-N 444.539 2.719 0 40 IFAB COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1-c1ccc(OC)cc1 72405518 KOKGIQGDCUPLRP-UHFFFAOYSA-N 442.501 2.890 0 40 IFAB O=C(NCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1)c1ccc(Br)s1 95457368 AAJHHWXLJHUPGT-CHWSQXEVSA-N 427.295 2.714 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2c(OC)cccc2OC)cc1C(=O)N1CCCC1 223871542 QJNHOQAWOMHQLE-UHFFFAOYSA-N 448.541 2.769 0 40 IFAB COc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225488685 PBCYLYZMLXMLPK-UHFFFAOYSA-N 434.533 2.984 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 225516276 XHRYATHYPXSUKQ-KRWDZBQOSA-N 440.525 2.762 0 40 IFAB Cc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3CCC[C@@H](C)C3)n2)o1 225914981 MMGJRURKQHGOMW-OAHLLOKOSA-N 430.578 2.938 0 40 IFAB Cc1c(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)nnn1-c1ccc(F)cc1 238914834 SLNWLYRUSVCBKX-UHFFFAOYSA-N 435.507 2.782 0 40 IFAB O=C(CCCn1cnc2ccccc2c1=O)N1CCC(N2CCc3ccccc3C2=O)CC1 257217516 CZHSSUIDIBQLNP-UHFFFAOYSA-N 444.535 2.866 0 40 IFAB Cc1cc(Nc2cc(C[C@H]3CCCN(S(=O)(=O)N4CCCCC4)C3)nc(C)n2)[nH]n1 257292174 QKHRBXYJHDVTNZ-QGZVFWFLSA-N 433.582 2.545 0 40 IFAB COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409059262 VTEKYZDLGNXFHB-WAUWHALJSA-O 448.474 2.859 0 40 IFAB Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3ccccc3F)CC2)C1 585287772 QVFVLAYQZRYXBH-VWLOTQADSA-N 444.547 2.608 0 40 IFAB C[C@@]1(c2cccc(-c3noc(-c4cccc(Nc5ncccn5)c4)n3)c2)NC(=O)NC1=O 680735589 FAANESYUPACLHT-QFIPXVFZSA-N 427.424 2.992 0 40 IFAB CCOc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C(N)=O)CC2)cc1 1348225 HXEMHDGGKHAKLK-OAQYLSRUSA-N 438.507 2.546 0 40 IFAB C[C@@H](c1ccccc1)n1c(S)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3529904 ZBWNJENRSLIBSV-HNNXBMFYSA-N 430.555 2.864 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1 4763691 WUOCTSYHBZZMNU-UHFFFAOYSA-N 446.960 2.842 0 40 IFAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 5706778 LYFZBGIZNYYJJR-VQTJNVASSA-N 428.485 2.845 0 40 IFAB in-vitro CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(COC)cc2)c(=O)[nH]c1=O 9253755 FCFNACCWRJOMGN-UHFFFAOYSA-N 436.512 2.912 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnnn1-c1ccccc1 9764348 WFDDENZHPQZQKO-UHFFFAOYSA-N 433.541 2.932 0 40 IFAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9884498 VWZHEGPDNKQGDA-UHFFFAOYSA-N 434.539 2.817 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1F 11719943 RWIKYNJFCSPIQA-CQSZACIVSA-N 425.551 2.966 0 40 IFAB C[C@]12CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 12231805 DSQWVECZVVVBJO-CYFREDJKSA-N 429.480 2.842 0 40 IFAB O=C(O)CCc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c1=O 12347398 BNSCLMOMFLNOOP-UHFFFAOYSA-N 426.454 2.705 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c2ccccc2O1 12585908 HCVXIOHTWVWZCA-VQIMIIECSA-N 436.493 2.772 0 40 IFAB C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 12643446 VFJWXVLQWQOSFF-OKILXGFUSA-N 434.480 2.742 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@H]1c1ccc(C)o1 12738415 OCKZVHUWKRNWAT-INIZCTEOSA-N 432.506 2.653 0 40 IFAB COc1ccccc1N1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 12823692 KHZIXRKWFGMLFI-UHFFFAOYSA-N 437.521 2.706 0 40 IFAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)cc1OC 12913714 PNDZDNPFGSUBEH-LBPRGKRZSA-N 447.538 2.966 0 40 IFAB CCc1ccccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 12976150 HPSOLCCDXFOVHN-UHFFFAOYSA-N 443.525 2.970 0 40 IFAB CCc1cccc2c1NC(=O)[C@@]21N[C@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 15958654 NIYSKYYDTNLVOT-PRHHBONVSA-N 427.570 2.665 0 40 IFAB biogenic COc1ccc(NC(=O)CSc2ncnn2CC(=O)Nc2ccc(OC)cc2)cc1 16217128 AMNJYTHOWPSMHF-UHFFFAOYSA-N 427.486 2.665 0 40 IFAB COc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@H]3C)nc2C(F)(F)F)cc1 16609664 QXRBDLBKKRKMFF-TXEJJXNPSA-N 435.410 2.760 0 40 IFAB COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@H]3[C@]2(O)C(F)(F)F)n1 16957622 GUGKDIFGPJWWEK-PXAZEXFGSA-N 427.404 2.976 0 40 IFAB O=C(Cn1c(=O)cnc2ccccc21)NCCNc1ncc(C(F)(F)F)cc1Cl 18215785 DSOPUCNPQXXEIF-UHFFFAOYSA-N 425.798 2.692 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 19293045 XHAWOOWPWAVXAY-HNNXBMFYSA-N 428.483 2.722 0 40 IFAB CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 19298071 GQJXNNTUXJXTCJ-CALCHBBNSA-N 429.521 2.999 0 40 IFAB O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]c2=O)C1 19368795 JETNKIVSCWEIEK-NRFANRHFSA-N 443.507 2.731 0 40 IFAB COc1cc2cc(N)c(C3CCN(C(=O)[C@H](C)CN4CCOCC4)CC3)nc2cc1OC 19456230 NCARGNMYLUEJJG-MRXNPFEDSA-N 442.560 2.509 0 40 IFAB CCOc1ccccc1C(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694956 SYMGFBYPKQJQCN-HXUWFJFHSA-N 434.500 2.612 0 40 IFAB Cc1ncc(C(=O)N(C)Cc2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)c(C)n1 19698563 UYRKORPJQGQGPM-UHFFFAOYSA-N 444.539 2.986 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)c2ccc(COC)cc2)nc2c1CCN(C(C)=O)C2 19708646 XVIIMBNQPYAVET-OAQYLSRUSA-N 437.544 2.937 0 40 IFAB Cc1nc(C2CCN(C(=O)c3cnn(C)c3)CC2)ncc1C(=O)NCc1ccc(F)cc1 19763879 CSAGODBTHWWNQH-UHFFFAOYSA-N 436.491 2.607 0 40 IFAB CNC(=O)c1cnc(C2CCN(C(=O)c3cc4c(OC)ccc(OC)c4[nH]3)CC2)nc1C 19766458 XFCHHVGEOVWGEV-UHFFFAOYSA-N 437.500 2.663 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 19869058 CHEBIPFKYDJBLZ-UHFFFAOYSA-N 446.500 2.803 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)C(=O)N(C(C)C)C1=O)CC2 23842240 WWPPTHJHKWRQKP-NRFANRHFSA-N 437.496 2.808 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccn(C)n1 24478590 IAJPRJXSAKRXJR-LBPRGKRZSA-N 437.374 2.766 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(Cc1ccccc1)Cc1ccco1 24716769 VHUCVXBONRRRMX-UHFFFAOYSA-N 425.510 2.519 0 40 IFAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 25895853 ZLPAWRNOEXVHFJ-NRFANRHFSA-N 444.553 2.828 0 40 IFAB CCOC(=O)c1cc(C)n(CC(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)c1C 32747530 OJEYZFXXIOOMKN-UHFFFAOYSA-N 443.500 2.540 0 40 IFAB COC(=O)c1c(CC(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)[nH]c(C(C)=O)c1C 32776485 NPUHROPIDMXLLJ-SWLSCSKDSA-N 426.469 2.764 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1 36589776 YZMSVZYLPDOGCC-IFMALSPDSA-N 434.496 2.860 0 40 IFAB biogenic COc1cc(C)c(C)cc1S(=O)(=O)NCCc1cc2c(C)ccc(OC)c2[nH]c1=O 49597363 JTLXFVZQFJGFHA-UHFFFAOYSA-N 430.526 2.992 0 40 IFAB O=S(=O)(N[C@H]1CCCC[C@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 58085868 XRBSUBBULCVGMB-RBUKOAKNSA-N 435.981 2.542 0 40 IFAB CCCCn1c(SCC(=O)N2CCC(C(=O)OCC)CC2)nc2cc(C)[nH]c2c1=O 67238521 ZKGSQDWCNCXHDN-UHFFFAOYSA-N 434.562 2.727 0 40 IFAB CCN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H](Cc1ccc(C)cc1)C1CC1 72305220 WUCWAHDFYDVXDH-JOCHJYFZSA-N 429.586 2.602 0 40 IFAB CN(Cc1ccc[nH]1)C(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 84311107 SBDBTVRIWDQZDT-UHFFFAOYSA-N 443.573 2.667 0 40 IFAB COC(=O)C[C@H](NC(=O)c1cnc2c(C)cccn2c1=O)c1ccc(Br)cc1 95459399 BLQKMAYISNYUQF-INIZCTEOSA-N 444.285 2.800 0 40 IFAB Cc1nc2cc([C@H]3CCCN(C(=O)[C@@H](C)c4n[nH]c(=O)c5ccccc45)C3)nn2c(O)c1C 100137706 JPJXSHZKKAAJOQ-HOCLYGCPSA-N 446.511 2.798 0 40 IFAB COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 100355445 LPWCGQSHIPNJPH-YOEHRIQHSA-N 429.226 2.585 0 40 IFAB CSc1ccc(CNc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)cc1 102911788 GEGYMRSPFUTCHO-UHFFFAOYSA-N 435.465 2.532 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 103139547 MAKXRHGKYHEXQX-LTTMHCQOSA-N 435.471 2.996 0 40 IFAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218214797 NUQIJOGDLJPESP-AOIWGVFYSA-N 438.343 2.897 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccc(Cl)cc1 219661185 BRBGJAJBEUELHV-UHFFFAOYSA-N 438.958 2.924 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O 220614557 RFRHKWVSXAHDEF-OAQYLSRUSA-N 431.558 2.589 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222670479 PRSBMJCJJYBBIB-HOTGVXAUSA-N 448.541 2.888 0 40 IFAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 223309740 WKIXQDVFFDBQDO-UHFFFAOYSA-N 444.294 2.771 0 40 IFAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 223864951 VYZPYKFHAQWOLP-UHFFFAOYSA-N 432.542 2.733 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCc2c(C)n[nH]c2C)CC1 257296613 RDOGSAZNKZTPIM-VDKIKQQVSA-N 440.588 2.795 0 40 IFAB O=C(CCn1cccn1)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257299389 RPVYHOBJTQFQQF-HXUWFJFHSA-N 429.908 2.871 0 40 IFAB CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 408614734 GYRSLZYMSNDHTJ-NRFANRHFSA-N 449.551 2.920 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1Cl 408693415 SSRUSBGAMUJTNV-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1ccc(Cl)cc1 409369974 INPBVCUAKYEHGX-INIZCTEOSA-N 441.875 2.932 0 40 IFAB CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCc2cccnc2)CCN(C)CC1 575443904 VIBNDQNNHKODLX-UHFFFAOYSA-N 433.556 2.735 0 40 IFAB O=C(CCc1cncnc1)N1Cc2ncn(CC3CC3)c2[C@@H](COCc2cccnc2)C1 585110881 SLUPSOACKNBJGF-OAQYLSRUSA-N 432.528 2.754 0 40 IFAB COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CCN(c2ccccc2)CC1 606422464 NEKWBCSASGTZRO-UHFFFAOYSA-N 427.482 2.639 0 40 IFAB CCOc1ccc(CN2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)cc1 643564842 JAPAKIICNJRVJY-PMACEKPBSA-N 445.604 2.877 0 40 IFAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3ccccc3)no2)N1Cc1ccccc1F 1775964249 YYBLIDJZUWPROE-KRWDZBQOSA-N 430.461 2.551 0 40 IFAB biogenic,in-vitro O=C(NC1CCCC1)c1ccc2c(c1)[C@@H](C1CCN(C(=O)[C@H]3CCOC3)CC1)C(=O)N2 2055771616 MRXMGSPTOFXRPA-LAUBAEHRSA-N 425.529 2.670 0 40 IFAB O=C(COc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3438578 LGACLIWNVIQAOS-LFIBNONCSA-N 426.538 2.699 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1 4101163 AIQAEWYTQGMVPB-INIZCTEOSA-N 431.518 2.677 0 40 IFAB CCOc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(CCCO)nn32)cc1 6144557 SBZJBPXFHMSRBZ-OAQYLSRUSA-N 434.500 2.924 0 40 IFAB CCOC(=O)c1sc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1C 6599642 MQUVFDOPPQLGSV-UHFFFAOYSA-N 439.515 2.781 0 40 IFAB COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(F)cc1Cl 9194472 COPVTRMJYRWDAQ-UHFFFAOYSA-N 449.870 2.552 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)CC2=O)cc1 9453675 YQNYRUPFDOLVNH-OFNKIYASSA-N 449.551 2.788 0 40 IFAB Cc1noc(C)c1CCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9516408 DSVYKPUCDUSPNO-UHFFFAOYSA-N 441.919 2.772 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4ccccc4n3)CC2)cc1 9676639 AVKRQUARRBTKSW-UHFFFAOYSA-N 425.510 2.827 0 40 IFAB NC(=O)N[C@H](CC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Oc2ccccc2)c1 9712393 GCVGGSPUQRMUFP-OAQYLSRUSA-N 446.511 2.717 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 9744724 LSRUIBHNACPOMG-HXUWFJFHSA-N 443.569 2.992 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2ccn(-c3cccc4ccccc34)c(=O)c2=O)c1 9808671 HCVPHYJWXFXPQE-UHFFFAOYSA-N 431.448 2.808 0 40 IFAB O=S(=O)(c1ccc2oc(SCc3cn4ccccc4n3)nc2c1)N1CCOCC1 9872598 JOYJRTDSYBUFMJ-UHFFFAOYSA-N 430.511 2.789 0 40 IFAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 9986284 VCDGIVPPOPNIBX-UHFFFAOYSA-N 429.542 2.799 0 40 IFAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)OCc1c(F)cccc1Cl 10069977 PKTHZPFKZBWSLY-UHFFFAOYSA-N 429.853 2.662 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)c1 10442415 YFILPKFTOKTPSA-UHFFFAOYSA-N 438.571 2.621 0 40 IFAB COc1cccc(-c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)s2)c1 11865737 ZTUBTZSRECAOAJ-UHFFFAOYSA-N 431.539 2.747 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCc2nc3ccccc3[nH]2)cc1 12603606 MGYFQMZSJAUWHR-UHFFFAOYSA-N 442.541 2.525 0 40 IFAB CCOc1cc2c(cc1CNC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)O[C@@H](C)C2 12792836 WXHYZPOYMHUOGD-AWEZNQCLSA-N 432.542 2.864 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 13011862 KFEZRQBPLJNUGF-UHFFFAOYSA-N 425.304 2.611 0 40 IFAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 13056317 DLZWXRJFFAEWEK-UHFFFAOYSA-N 442.585 2.622 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)n(-c4ccccc4)c3=S)CC2)cc1 13063555 ZZUPFWTWLXPRRF-UHFFFAOYSA-N 443.598 2.984 0 40 IFAB O=S(=O)(c1cccc(-c2nnc(SCCOc3ccccc3)o2)c1)N1CCOCC1 13141198 XCBGXJQPVXHZMH-UHFFFAOYSA-N 447.538 2.929 0 40 IFAB CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N1CCN(C(=O)Nc2ccccc2F)CC1 13564175 ISHSIXMQQVQSIF-ZHZULCJRSA-N 428.439 2.818 0 40 IFAB COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 16267412 IRCKXJYTCNCKCN-UHFFFAOYSA-N 445.585 2.590 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCC(c2ccccc2)=N1 17226883 HLBKIBLBHRUXMM-UHFFFAOYSA-N 430.555 2.595 0 40 IFAB COc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1 19289515 XPHFTAJVUFABBP-UHFFFAOYSA-N 442.541 2.547 0 40 IFAB COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCNCC3)[C@@H]2C)OCO4)cc(OC)c1OC 19365548 DBEFHKMWRWJVAF-QQFWFLOESA-N 442.512 2.833 0 40 IFAB CC(C)c1nc(N2CCC(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)ncc1-c1ccncc1 19451569 RFLVQNMFELZIOO-GOSISDBHSA-N 448.571 2.758 0 40 IFAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)c1nn(CC)c(=O)c2ccccc12 19520835 QZFKGUHFNYMAPZ-SJLPKXTDSA-N 445.523 2.825 0 40 IFAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)Cc3c[nH]c4ccccc34)n2)CC1=O 19697372 CRTCVKGYLNOCKT-GOSISDBHSA-N 448.571 2.949 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCN1CCOCC1 20308069 UHZBYTRTPJAJCO-FQEVSTJZSA-N 426.419 2.949 0 40 IFAB Cc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 22229399 DECNLYRBFDZHPP-UHFFFAOYSA-N 443.569 2.903 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ncc(Cl)cc2Cl)CC1 25777270 JORSAKPRXLIGRR-UHFFFAOYSA-N 430.313 2.671 0 40 IFAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1S(N)(=O)=O 26902501 BPTITJJUUFRCOT-KRWDZBQOSA-N 443.550 2.684 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccccc1I 28327659 NJMPUUWCXBZCGS-NSHDSACASA-N 444.294 2.772 0 40 IFAB C[C@H]1Oc2ccc(NC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)cc2NC1=O 29770627 MWXAUTZVMXFPMX-CYBMUJFWSA-N 435.477 2.585 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)c1cnn(-c2ccccc2F)c1-n1cccc1 32459368 JXDDOGVKYCBDGS-UHFFFAOYSA-N 446.486 2.964 0 40 IFAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCC(C)CC1 40113344 XFMXDEDALWGDNP-FQEVSTJZSA-N 448.633 2.912 0 40 IFAB O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399377 WTGZRFDBCLHIFS-MRXNPFEDSA-N 437.887 2.952 0 40 IFAB COc1ccc(CCS(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 43962555 JNFRQSOQTICDFZ-UHFFFAOYSA-N 434.533 2.849 0 40 IFAB CONS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 58404406 XUWFBCHKSMOOOK-SFHVURJKSA-N 432.498 2.665 0 40 IFAB COc1ccc2nc(NC(=O)[C@@H](C)NC(=O)N3CCN(c4ccccn4)CC3)sc2c1 71328935 YZKIGSYTLZLJMF-CQSZACIVSA-N 440.529 2.559 0 40 IFAB CCOc1cc(CNC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)ccc1OC 71768384 NCEPXIHIGPJCPJ-UHFFFAOYSA-N 434.456 2.963 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2cccc(F)c2)C1 72314583 QHKZGZWCDNLDIL-GOSISDBHSA-N 425.507 2.698 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1 95458926 FJCFMAMTIPBOMB-FQEVSTJZSA-N 448.589 2.590 0 40 IFAB COCCn1nc(C)c(NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c1C 95461432 BFQFTFOLRKCTOA-UHFFFAOYSA-N 439.520 2.602 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102970668 RUJZODVPSYMBAB-QAQJPARQSA-N 441.391 2.727 0 40 IFAB COc1cccc([C@H](CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)N(C)C)c1 105531654 ALEWYHKOYUJCTI-NYHFZMIOSA-N 431.558 2.574 0 40 IFAB Cc1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)ccc1N1CCCC1=O 219226785 VNBJUAHNOSVUQL-UHFFFAOYSA-N 426.498 2.993 0 40 IFAB CCOc1cc(CNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)ccc1OC 222789894 XXVUAEKHDHCKAY-ZDUSSCGKSA-N 442.484 2.843 0 40 IFAB CCOc1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1OCC 222852111 ITOCZVPPYMNERD-UHFFFAOYSA-N 442.563 2.799 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1CCN1CCOCC1 223155897 LOKXHRISPGSPFU-PKTZIBPZSA-N 448.596 2.631 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 223472311 RWSASQITQOECGM-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 223649743 TXPYMSGOHBBSKH-UHFFFAOYSA-N 426.922 2.700 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1ccccc1 224092069 QNVQMFXRSACVDW-UHFFFAOYSA-N 441.509 2.610 0 40 IFAB CC[C@H](OC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(C)cc4C)C(=O)[C@H]13)O2)C(=O)NC(C)(C)C 245227599 PYTPVJGHIUBBRS-MDFABALLSA-N 440.540 2.826 0 40 IFAB Cn1c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)cc(=O)n(C)c1=O 257262160 LKJMFMHKYVZGJC-KRWDZBQOSA-N 442.903 2.684 0 40 IFAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)C1 257305433 SPYZOHYTVXGUKF-XMMPIXPASA-N 425.504 2.606 0 40 IFAB CC1(C)Oc2c(OCC(=O)N3CCOCC3)cccc2[C@H]2OCC3(CCNCC3)C[C@@H]21 257315459 VBLYLTYDIPRXSJ-GHTZIAJQSA-N 430.545 2.543 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1OC 260769973 UFZNBOYHXSCUSX-MRXNPFEDSA-N 434.558 2.996 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(C(=O)c4ccoc4)C[C@H]3c3cccnc3)C2=O)cc1 306145120 ZYUVGDLURJTJMS-DHLKQENFSA-N 447.491 2.721 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 408561894 WQHSBFMFGXJELY-LLVKDONJSA-N 428.894 2.671 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1C 408597498 XAYGARFVUAUEGT-UHFFFAOYSA-N 442.541 2.886 0 40 IFAB CN(C)CCOc1ccc(CN2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1 585273025 QIDFFBCPQNGVSZ-HSZRJFAPSA-N 434.964 2.923 0 40 IFAB O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1525734167 ALCLSLIEVPHTIZ-GXTWGEPZSA-N 430.858 2.818 0 40 IFAB CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1647746449 JLAPGFBCTFMARZ-IRLDBZIGSA-N 434.496 2.807 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)cc1 1775968915 YXEBEPHNPMEARI-ZDUSSCGKSA-N 442.335 2.727 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888906337 LLDHZNMZIQWMNH-KBPBESRZSA-N 432.402 2.603 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(F)cc1 911015 VRSXHTMMEJTFKP-XGHXRCDJSA-N 426.444 2.686 0 40 IFAB COc1ccccc1C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2626795 SODWOCLEVWZEJA-UHFFFAOYSA-N 429.450 2.806 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Br)cc2)c1 3248447 IZFHQXWSNJPKKF-UHFFFAOYSA-N 426.288 2.739 0 40 IFAB COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)[C@H](N)CCC(=O)O 5810202 AWQXRZKLOCRIGY-OGZRUICASA-N 445.468 2.989 0 40 IFAB Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1C1CCCCC1 6130470 UNSRMDSPHLRRRR-UHFFFAOYSA-N 426.565 2.757 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCCCN(CC)CC)cc2c1 6193067 BOGLVWWVFHQNEF-UHFFFAOYSA-N 448.633 2.718 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1=O 8754760 UQIUBLSZUPKZOD-YKSBVNFPSA-N 437.496 2.833 0 40 IFAB CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 8770889 DQHBYLXPJABSJH-KRWDZBQOSA-N 443.525 2.940 0 40 IFAB COc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc(OC)c1OC 8845258 LVDBJIFFSMVBQG-OAQYLSRUSA-N 439.468 2.654 0 40 IFAB COc1cc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc2c1OCCO2 8986299 PMQWEAPICDTCQC-UHFFFAOYSA-N 447.241 2.594 0 40 IFAB Cc1oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc2c(=O)c1Oc1ccccc1 8990441 JZCLVQGSFCSWTM-UHFFFAOYSA-N 436.464 2.996 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 9005325 IDMWGOQJSGXIJY-FQEVSTJZSA-N 434.514 2.855 0 40 IFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 9465058 IPLZNXRIUDALMI-QHCPKHFHSA-N 438.487 2.747 0 40 IFAB O=C(CCC1CCCCC1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569861 ZALDGTRMVYXKNL-UHFFFAOYSA-N 425.570 2.754 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9684140 FSBJRROORPUNRI-SFHVURJKSA-N 430.526 2.821 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(F)cc3F)n2)cc1 9844809 OXZPSUIHXKMCFH-UHFFFAOYSA-N 435.452 2.566 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n3C)n2C)n1 12231387 ZEPHCVHJOSKPDM-UHFFFAOYSA-N 433.299 2.591 0 40 IFAB Cc1ccc(NC(=O)CSCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 13012762 BASAOGOSYKEMSR-UHFFFAOYSA-N 441.553 2.740 0 40 IFAB COc1ccc(CCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 13036836 VTGLMKXIAPZKOL-UHFFFAOYSA-N 443.511 2.501 0 40 IFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2ccccc2Cl)n1N 13074848 JSEIEXVMOZGIRY-UHFFFAOYSA-N 448.911 2.641 0 40 IFAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13097234 TZINMDKTXXYVSI-UHFFFAOYSA-N 444.553 2.907 0 40 IFAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N=c3[nH]c4ccccc4[nH]3)CC2)cc1 13686117 GJBGNWGYZHUTCN-UHFFFAOYSA-N 442.541 2.717 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(C(F)(F)F)cc1 16401179 ASINGZNBFNFBRV-UHFFFAOYSA-N 444.431 2.744 0 40 IFAB Cc1ccc(-n2c(SCC(=O)NC3=NC(=O)CS3)nc3ccccc3c2=O)cc1C 17043737 ZCJOCVZEZQYURT-UHFFFAOYSA-N 438.534 2.840 0 40 IFAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C[C@H](C)n3nc(C)nc3C)C2)C1 19285652 ABKOXXYSAORASP-HJPURHCSSA-N 425.533 2.648 0 40 IFAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400143 PGSPKYJMAHEJBV-NRFANRHFSA-N 449.555 2.997 0 40 IFAB O=c1oc2cc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCC2 19909142 RFPWAMWRGZQAEG-LJQANCHMSA-N 438.499 2.983 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 20006858 CQMYLUKQVZQDEP-FQEVSTJZSA-N 439.537 2.605 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)n(C)c(=O)n(-c2ccc(OC)cc2)c1=O 20757793 RSSSOKHAKAUFDG-QFIPXVFZSA-N 446.507 2.699 0 40 IFAB biogenic CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccccc1N1CCCCC1 21360597 YAOUVPHCFWODPU-UHFFFAOYSA-N 430.574 2.656 0 40 IFAB CCN(CC)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 21959946 CQGZPJRPQIGNEL-FQEVSTJZSA-N 437.540 2.969 0 40 IFAB COCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 22276243 RKFIHQUPCJAKHC-UHFFFAOYSA-N 441.347 2.715 0 40 IFAB CCn1c(=O)n(Cc2ccc(Br)cc2)c(=O)c2c3c(cnc21)C(=O)CCC3 22610574 XUPLLPVVRSVMDY-UHFFFAOYSA-N 428.286 2.908 0 40 IFAB COc1ccc(-c2noc(Cn3c(=O)n(CC(C)C)c(=O)c4ccccc43)n2)cc1OC 23126761 YDJYNCYFESIRBH-UHFFFAOYSA-N 436.468 2.935 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)ccc21 23791848 WPRMDQLQJLQXFZ-UHFFFAOYSA-N 439.990 2.682 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)[C@@H](c3ccco3)C2)cc1 23844637 DEISBHXEQLXUFD-GOSISDBHSA-N 436.468 2.831 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 24362250 AENTZJLTPHMBDA-UHFFFAOYSA-N 443.447 2.788 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 24648789 GOJMPOFMEPYMPD-KSKOPSKJSA-N 427.545 2.813 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)CCn1cnc2ccccc2c1=O 24820732 SDEONQCOFKHQCI-UHFFFAOYSA-N 443.301 2.646 0 40 IFAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 27326873 XXHVVEPFYFXQIS-UHFFFAOYSA-N 449.916 2.776 0 40 IFAB CC(C)[C@@H](C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 32747213 JTCVCGMDEXGBHA-IBGZPJMESA-N 439.855 2.712 0 40 IFAB O=C(CN1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1)Nc1cccc(F)c1 32809718 XFTNGCQOYIRFMM-UHFFFAOYSA-N 445.438 2.880 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccco1 32908610 VCHIDQNIALANSX-INIZCTEOSA-N 426.300 2.887 0 40 IFAB CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4c3oc3ccccc34)CC2)CC1 33169567 XPIGTMAHRIHRKE-UHFFFAOYSA-N 437.500 2.893 0 40 IFAB CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1c(C)nn2CC 35374005 NGLZXHAASZDBKB-UHFFFAOYSA-N 445.523 2.937 0 40 IFAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 40135676 MURZPZTYTNPTLQ-HIFRSBDPSA-N 435.933 2.867 0 40 IFAB COc1ccc([C@@H](NC(=O)CN2CCC[C@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 40151468 VHXJWKDCFUNQIT-LPHOPBHVSA-N 431.562 2.711 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 57440178 HIRQDSRUPIDXSW-REGYPHIPSA-N 434.279 2.893 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccnc3)Oc3cc(C)ccc32)cc1 64986416 LJWUVUXNPWTFEE-NRFANRHFSA-N 439.493 2.994 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204886 AWVZXLSCUMSVIS-NRFANRHFSA-N 442.466 2.568 0 40 IFAB Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1 77101109 DJOYSQMQLJHEMJ-UHFFFAOYSA-N 429.464 2.887 0 40 IFAB COCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)oc2ccccc12 95392689 UMNFVTPGVPUADC-UHFFFAOYSA-N 443.525 2.768 0 40 IFAB CCCCc1nc(C)sc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 96231817 BITNUNGWTMWCMS-IBGZPJMESA-N 429.542 2.919 0 40 IFAB COC(=O)Cn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(C)ccc21 100876068 JAJSKCQUDDCXRT-FCQUAONHSA-N 437.477 2.579 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 223200096 MFVKWLKWSMIOTA-INIZCTEOSA-N 444.553 2.980 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 223290871 UFGJSBJLTFSXEX-UHFFFAOYSA-N 434.514 2.694 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C(C)C)nn2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257213146 CGIPRDSGKKDPOK-QHCPKHFHSA-N 446.555 2.766 0 40 IFAB CC(C)c1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257227546 FPVAPMHXTJBVPA-KJXAQDMKSA-N 428.577 2.670 0 40 IFAB O=C(NCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1)c1cncc(O)c1 257275094 NNWMNCAKJFFQLI-INIZCTEOSA-N 438.459 2.641 0 40 IFAB CC(C)CN1C(=O)C2(CCN(C(=O)CN3CCOCC3)CC2)C[C@@H]1Cc1cccc(F)c1 257275540 NPVBUOJWPNIHFV-QFIPXVFZSA-N 445.579 2.566 0 40 IFAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C 409123443 HBDMJPLQHCZSSH-CPNJWEJPSA-N 425.510 2.989 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CN(CC1CCOCC1)C2 1549168057 STDCUTWDAJYYQJ-JOCHJYFZSA-N 425.573 2.738 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)o2)c1 1775966857 HLPIROVCHJLYBU-ZDUSSCGKSA-N 437.495 2.815 0 40 IFAB O=C(c1cnccn1)N1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2cc(Cl)ccc21 2055738828 TXSZXXMXICFNIZ-UHFFFAOYSA-N 432.933 2.616 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 3286105 VZGPFGZGWLYXIF-FQEVSTJZSA-N 446.887 2.683 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(Br)s2)cc1 3294741 NHCGYYGTUSDBLJ-UHFFFAOYSA-N 432.317 2.523 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 3442683 PRFSVNCFUGFTHO-ZDUSSCGKSA-N 445.468 2.831 0 40 IFAB CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O 5493139 FYWMZXAKXGNCRK-UNIGDQOCSA-N 436.508 2.668 0 40 IFAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)c2ccc(OC(F)F)cc2)n1 9022579 MZHNAPMRLKCUFS-UHFFFAOYSA-N 431.399 2.984 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2cccc(OC)c2)cc1 9252708 CBVNYEHHKTZPFY-QHCPKHFHSA-N 447.491 2.843 0 40 IFAB CCOc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 9508838 TXZAYDONMBHZKO-UHFFFAOYSA-N 448.516 2.720 0 40 IFAB Cc1ccc(-c2cc(NC(=O)COC(=O)C3=NNC(=O)CC3)n(-c3ccccc3)n2)cc1 9589101 UGPZSRSQZFMDJY-UHFFFAOYSA-N 431.452 2.595 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)CCCC3)NC(=O)N[C@@H]1C 9637075 KHMRJFWEWFXQRU-CQSZACIVSA-N 428.485 2.590 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2ccc(Cl)cc2Cl)cc1 9679521 AJCCJMGDBISHHK-UHFFFAOYSA-N 431.341 2.601 0 40 IFAB Cc1cn2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10233490 ZLGFNCATQFKMLF-KRWDZBQOSA-N 441.491 2.950 0 40 IFAB Cc1ccc(-n2nnnc2SCC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c(C)c1 11689930 HBQNBSREZPUVCH-UHFFFAOYSA-N 434.525 2.871 0 40 IFAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1c(-n2cnnn2)sc2c1CCCC2 12185279 SSYUZKZBQZDAKF-HNNXBMFYSA-N 449.540 2.521 0 40 IFAB COc1ccc(CN(C)CC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1OC 12796471 LETADDXCFIJYJK-UHFFFAOYSA-N 441.572 2.925 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCOC 12888551 OMMMDYIFLSTSLG-FDFFUELDSA-N 447.601 2.719 0 40 IFAB biogenic Cc1ccc(F)c(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 12979251 AJKRVFJOMQEZII-UHFFFAOYSA-N 447.488 2.855 0 40 IFAB O=C(CCCOc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13002827 TVGNITFUZAMAKI-UHFFFAOYSA-N 442.459 2.796 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 13069001 XIKFPXAEXIGIEJ-UHFFFAOYSA-N 445.585 2.638 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)C3CCN(C(N)=O)CC3)ccc2C)c1 13097556 RDOVIIVVUCHSAC-UHFFFAOYSA-N 430.530 2.833 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)cc1 13128574 JVFYWISVQVZRPR-CQSZACIVSA-N 439.493 2.908 0 40 IFAB COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 13507845 PAKLPHQNRDESIQ-QFIPXVFZSA-N 441.528 2.675 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nc(=O)n3ccccc3n2)sc2c1CCC2 16048062 SJOCGLALGUHGCU-UHFFFAOYSA-N 430.511 2.547 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3n(C)c(=O)c4ccccc4n23)c1C 16322186 JFECOLKXWWDZHF-GFCCVEGCSA-N 439.497 2.676 0 40 IFAB O=C(C1CCCCC1)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)nc2C1 19014705 NMPHDPHLWQKNGM-PMACEKPBSA-N 442.560 2.880 0 40 IFAB O=C1CC[C@@H](C(=O)N2CCc3nc(-c4ccncc4)nc(Nc4cccc(F)c4)c3C2)N1 19293992 NLCMLMNKNUKNET-IBGZPJMESA-N 432.459 2.585 0 40 IFAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19339369 LXNCMOBJHVFNOM-OAQYLSRUSA-N 433.487 2.840 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3c(C(N)=O)sc4ncccc34)C2)cc1F 19702932 ZKZACLWRPKFDJE-HNNXBMFYSA-N 435.502 2.605 0 40 IFAB COc1ccc(CCC(=O)N2CCO[C@@H](c3c(C(N)=O)sc4ncccc34)C2)cc1 19703219 BOWMZRWRHJUYCE-QGZVFWFLSA-N 425.510 2.937 0 40 IFAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CCN(C)C2 19708487 AXMAANNAYTWRSB-IBGZPJMESA-N 433.553 2.870 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 20244331 VEFWPOMVOXEUMR-UHFFFAOYSA-N 433.574 2.674 0 40 IFAB O=C(O)C[C@@H]1S[C@@]2(C(=O)Nc3ccc(Br)cc32)N(c2ccc(O)cc2)C1=O 22996495 JQIHEIDOZZYZID-KSSFIOAISA-N 449.282 2.883 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(F)(F)F)c2)c1 23239221 LHISDUQZSFSTSA-UHFFFAOYSA-N 428.432 2.893 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@@H](c2nnc3ccccn23)C1 24457837 VYXYHLMHJWBYKI-WOJBJXKFSA-N 429.524 2.977 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(=O)N(C)C)c3)C2)s1 30871043 FXOXRDDHHVJTTB-MRXNPFEDSA-N 435.571 2.798 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)nc3nc(C(F)(F)F)nn3c1C)CC2 31035911 VGXAZNMSXOFEKZ-UHFFFAOYSA-N 449.433 2.905 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(C)cc3)C2)cc1 31240926 CBZNZESJERKLQP-SFHVURJKSA-N 432.542 2.600 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC(=O)Nc1ccccc1Cl 31421030 GCVKHYZZASLJBS-FQEVSTJZSA-N 426.904 2.966 0 40 IFAB CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 35267078 OXNQACLGIKCTHW-JOCHJYFZSA-N 436.556 2.654 0 40 IFAB Cc1cc(C)cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)[C@@H]4C2=O)c1 36351093 HDJFCOMZLLMTGQ-YEMMZOHUSA-N 438.524 2.580 0 40 IFAB CN(C)S(=O)(=O)c1ccc2oc(COc3ccc(C(=O)N4CCOCC4)cc3)cc2c1 36366811 VKBMPXBDRUCZGH-UHFFFAOYSA-N 444.509 2.735 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)cc1 40155974 IHUIHKVRXNAWAD-UHFFFAOYSA-N 438.553 2.978 0 40 IFAB Cc1cc(F)ccc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O 40478018 JFWOWNSDKGZXBY-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 49544286 AEPFGJLCYYNHBG-INIZCTEOSA-N 434.468 2.966 0 40 IFAB COc1ccc(CCNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 61887537 XNOPEBZQKVKQKG-UHFFFAOYSA-N 443.503 2.850 0 40 IFAB COc1ccc(-c2cc3c(N4CCN(C(=O)c5ccco5)CC4)nccn3n2)cc1OC 67285382 ZCVVCWGEQMDFFI-UHFFFAOYSA-N 433.468 2.969 0 40 IFAB CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 78680163 CQJIGPOAHHTBDW-FCHUYYIVSA-N 428.621 2.545 0 40 IFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 84026672 CUQXGQCIVMEFHQ-UHFFFAOYSA-N 448.505 2.902 0 40 IFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 100181683 OPPOWRYJUILWOL-MXBPETCHSA-N 429.561 2.798 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1OC 107686901 GLGIIHIPSPAXOQ-AEFFLSMTSA-N 432.542 2.982 0 40 IFAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408592713 LLIIDPNHTNQDBS-UHFFFAOYSA-N 432.970 2.682 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1 585147823 ACNWPLFKUFUCFO-LJQANCHMSA-N 440.477 2.612 0 40 IFAB Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 1082331 SWGFIXGNTWOGBC-UHFFFAOYSA-N 446.294 2.763 0 40 IFAB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 2952360 UENHYRFAEGPFOX-UHFFFAOYSA-N 440.931 2.862 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 8879325 KRMUSJBFIHWDDU-JPYYHWIRSA-N 441.531 2.851 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3cccnc3)n1C)CC2 8987261 LKNDOKHDWNBWNB-UHFFFAOYSA-N 425.514 2.571 0 40 IFAB CCOc1ccc2nc(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)[nH]c2c1 9219645 XNEHMXAPXVXUNY-UHFFFAOYSA-N 431.518 2.586 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4O[C@@H]([C@H]5ON=C(c6ccccc6Cl)[C@H]54)[C@@H]3C2=O)cc1 9242840 UUTHIVUPLWTDLC-LLGWXDCBSA-N 436.851 2.849 0 40 IFAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1C 9243069 YRKKGWYPBYWTNI-UHFFFAOYSA-N 448.571 2.858 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3cccs3)no2)C1=O 9446157 BESDFVCIGTTXDP-NRFANRHFSA-N 439.497 2.705 0 40 IFAB CCc1nn2c(=O)cc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nc2s1 9577241 JDGYQPFPYSASJZ-UHFFFAOYSA-N 445.504 2.709 0 40 IFAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)Nc1ccc(F)cc1F 9660784 IFTVPKPEWVCMEV-UHFFFAOYSA-N 446.429 2.629 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C)c(C)c1 9806458 UGFPDESYPJBPEO-IBGZPJMESA-N 443.569 2.828 0 40 IFAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 9884261 OSASQRIDCHXHTP-KOSHJBKYSA-N 435.480 2.718 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cc(OC)ccc4Br)[C@H]3C2=O)cc1 9939731 VIWUDRCCCUCZBH-DLBZAZTESA-N 445.273 2.960 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12766919 AQHSPADVOWVUIT-HXUWFJFHSA-N 429.952 2.880 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 12897552 LIZJLMHXOZUDLM-NRFANRHFSA-N 434.496 2.736 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)N(C)C)cc1N1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=S 13015975 VQQBBLWIPNSOPK-GOSISDBHSA-N 442.566 2.559 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 13533042 LGGDWCJFAFQZIP-UHFFFAOYSA-N 425.466 2.903 0 40 IFAB COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)c1 13607562 DAEUQYJMWHGXSC-LOCCHRAXSA-N 436.464 2.638 0 40 IFAB C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 14242199 HZXFTRMLWJWNDX-QFYYESIMSA-N 439.453 2.871 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)c(OC)c1 15470148 SZZUVMDPQDIVEI-HXUWFJFHSA-N 437.496 2.686 0 40 IFAB C[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(C)c1ccccc1 15940839 IUGURFJSCJHJMW-INIZCTEOSA-N 426.494 2.713 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 16000913 QDIVEPMMRUVSFG-QGZVFWFLSA-N 437.496 2.931 0 40 IFAB COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 16045428 PGDPJKNMADOCOZ-WOJBJXKFSA-N 443.569 2.551 0 40 IFAB COc1ccccc1NS(=O)(=O)CCCCS(=O)(=O)Nc1ccccc1OC 16248147 QCFZZDDBUHABJL-UHFFFAOYSA-N 428.532 2.668 0 40 IFAB Cc1c(C)n(C(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2ccccc12 17098448 OAIPJTXWONLLBK-QHCPKHFHSA-N 433.508 2.883 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 19501663 RTBXGLBDGAOCFA-LJQANCHMSA-N 426.492 2.961 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2ccncc2)CCO1 19529306 ZOBDPVPIMLLMRF-RUZDIDTESA-N 430.508 2.734 0 40 IFAB COc1ccc(-c2noc([C@H]3CN(S(=O)(=O)CCOc4ccccc4)CCO3)n2)cc1 19558534 IMELPAVMXJYUOS-LJQANCHMSA-N 445.497 2.527 0 40 IFAB Cc1oc2c(c1C(=O)N1CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C1)CCCC2 19692632 CCIWEUURTKOCQP-FQEVSTJZSA-N 448.527 2.994 0 40 IFAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(C(=O)c4ccc(COC)cc4)CCO3)nc2)cn1 19693888 ZWNBCJUHCURZTI-QHCPKHFHSA-N 446.507 2.863 0 40 IFAB CCn1ccc(C(=O)N2CCO[C@H](c3c(C(=O)NCCOC)sc4ccccc34)C2)n1 19697938 DRSWOUNNWPAPJC-KRWDZBQOSA-N 442.541 2.708 0 40 IFAB COc1ccc([C@@H](CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)NC(C)=O)cc1 21446271 BBRRNMUZNFDYES-MRXNPFEDSA-N 435.406 2.640 0 40 IFAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2nc3ccccc3s2)CC1 22785684 VQVVUEWXPWKSEQ-AWEZNQCLSA-N 436.541 2.611 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)C[C@H]1COc2ccccc2O1 24661224 GAXKBVMLUJUPIP-AWEZNQCLSA-N 449.433 2.991 0 40 IFAB COc1ccc(O[C@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 27295309 NXJXIXCAELTSQG-APWZRJJASA-N 437.496 2.907 0 40 IFAB CCOc1ccc(CN(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1 27501452 MPFKLRUCWOAYFA-UHFFFAOYSA-N 427.320 2.767 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)cc1 28209978 WVGOMXHKCJHHMW-SFHVURJKSA-N 432.498 2.721 0 40 IFAB CC(C)C[C@@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 28736127 JIOWSVRWVNPHDT-ZCNNSNEGSA-N 449.555 2.801 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNc2nc(-c3ccncc3)nc3ccccc23)C[C@@H](C)O1 29625491 CKVSNJVNDXVNSE-IYBDPMFKSA-N 427.530 2.543 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1ccco1 31034019 QNYQEOQKUVLJDY-HXUWFJFHSA-N 435.480 2.635 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2cccnc2OCC(F)(F)F)c1 33108206 XFFCUXZEEWYFAZ-UHFFFAOYSA-N 431.436 2.639 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1C 35510885 LREVQXXGGPGJQH-UHFFFAOYSA-N 435.977 2.580 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 40089301 IWJDJQMESSMPDI-CEXWTWQISA-N 446.569 2.676 0 40 IFAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 40146795 SGACVXOFSUNKNR-LJQANCHMSA-N 431.964 2.957 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)CC1 40267533 NIFZTNVUVUTKDT-UHFFFAOYSA-N 438.575 2.642 0 40 IFAB Cc1nnc(-n2ccc3c(nnc4c(-c5ccc(Br)cc5)c(C)nn43)c2=O)[nH]1 40372817 IZWFLOPPJLDNSY-UHFFFAOYSA-N 437.261 2.593 0 40 IFAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)O)c(N2CCCCC2)n1 49469250 PJIRHVHNUUHWBX-UHFFFAOYSA-N 438.937 2.780 0 40 IFAB Cc1nnc([C@H](C)S(=O)(=O)Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)o1 58006612 KWEMIJMZLLYBOW-ZETCQYMHSA-N 436.803 2.702 0 40 IFAB COc1ccc2nc(N3CC(C(=O)Nc4nc(C)c(C(=O)N(C)C)s4)C3)sc2c1 62023131 HRFHHVRCIGZODQ-UHFFFAOYSA-N 431.543 2.847 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1C 64817631 GMIJOXXGWXPACI-UHFFFAOYSA-N 445.523 2.992 0 40 IFAB C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 72286674 GUJXRCHJXAGPQO-WWOZWPLTSA-N 428.602 2.893 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N[C@H]2CCCC[C@H]2C)C(=O)N2CCN=C32)cc1 72347794 GPUJRXWLRDYMAW-BEFAXECRSA-N 436.516 2.578 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OC 96117828 GHPHVOWZCYDPCL-ZDUSSCGKSA-N 437.374 2.570 0 40 IFAB O=C(NCc1ccccn1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155943 OICGTTONNYUXGD-UHFFFAOYSA-N 426.524 2.982 0 40 IFAB Cc1cccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)CC2)c1 97943514 DMNPLPBMETVMSA-NRFANRHFSA-N 449.486 2.595 0 40 IFAB C[C@H](NC(=O)NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104241060 XLYXXQOBDYPWGY-LEUOFYLZSA-N 443.573 2.557 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)OCO2 113480356 OQOOMCLYNQYSQQ-ZFWWWQNUSA-N 428.535 2.897 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 216325237 CEHCVPDZNWGVRX-UHFFFAOYSA-N 434.468 2.541 0 40 IFAB O=C(Nc1cccc(Br)c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 216445893 PAFSBFUHJSSXTR-UHFFFAOYSA-N 439.331 2.863 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 223111537 ZVMIMDBWEYIEEP-LJQANCHMSA-N 434.514 2.974 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CCCN1CCOCC1 223169617 PYKSQRXWLFKGSS-XZOQPEGZSA-N 448.596 2.962 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)cc1Br 223698532 RSRLPMACCIOGHL-UHFFFAOYSA-N 446.319 2.962 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(OC)cc(OC)c1 224038389 DMQSXSZQJVDUSP-INIZCTEOSA-N 430.501 2.645 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)ccc1OC 224209759 QFPLURAKYWJOJB-UHFFFAOYSA-N 430.577 2.845 0 40 IFAB O=C(CCCOc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224309153 XOHRSNUIJJXQSV-UHFFFAOYSA-N 432.542 2.825 0 40 IFAB Cc1ccccc1NC(=O)[C@H]1[C@@H]2C(=O)N(CC(C)C)[C@@H](C(=O)NC(C)(C)C)[C@@]23C=C[C@H]1O3 245230479 SMHKVONVNIZTLM-ZBSGDCQRSA-N 439.556 2.655 0 40 IFAB Cc1cc(OC2CN(C(=O)c3cn(C)c(=O)cc3-c3ccsc3)C2)cc(=O)n1C1CC1 253473672 XBGYZWWGVAQQIL-UHFFFAOYSA-N 437.521 2.822 0 40 IFAB Cc1cnc(C(=O)N2CC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)C4)C2)cn1 257225429 FGDZHEBNUFLGOQ-SFHVURJKSA-N 428.496 2.602 0 40 IFAB O=C1CCCN1CCCC(=O)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257229060 FWNWTPXUWHJYTA-IBGZPJMESA-N 427.480 2.662 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C2)cc1C 257237342 HGAUYVUIZPUIBB-MRXNPFEDSA-N 427.530 2.858 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 257261854 LJAAFOSLRIJNFF-ZEQRLZLVSA-N 437.584 2.972 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C)c3)C2)c1 260749461 VNWVQTMWCJGSNE-SFHVURJKSA-N 432.542 2.729 0 40 IFAB COc1ccc([C@@H]2NC(SCC(N)=O)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 408977218 HSVVSRBIXBXZPD-FQEVSTJZSA-N 440.525 2.835 0 40 IFAB COc1cc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)ccc1OC(C)=O 2702359 AYALBCPHJURVFS-MFOYZWKCSA-N 427.869 2.953 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)Cn1nnc(-c2ccc(C(C)C)cc2)n1 7414486 KRHBFKDKNFLPCN-UHFFFAOYSA-N 425.489 2.806 0 40 IFAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 8965525 XMDUCWWDLMSSEV-UHFFFAOYSA-N 441.509 2.601 0 40 IFAB CCCCc1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1 9001194 XYZIVELURAQCBN-UHFFFAOYSA-N 443.507 2.983 0 40 IFAB CCOc1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC 9124862 SCCYDNRGZPWIKA-UHFFFAOYSA-N 439.468 2.687 0 40 IFAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9127034 CVINWXYRWXVYEL-INIZCTEOSA-N 433.961 2.624 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 9244397 GNQYJRYTCXNLQN-UHFFFAOYSA-N 437.901 2.709 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 9245189 TYKSYNZBLZLQPX-UHFFFAOYSA-N 448.504 2.860 0 40 IFAB O=C(CSc1ncnc2c1nnn2-c1ccccc1)N1CCN(c2ccccc2)CC1 9382970 ANIBTCRPUIHMMU-UHFFFAOYSA-N 431.525 2.651 0 40 IFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9539414 KTNDNSBYCPARQG-DEOSSOPVSA-N 436.512 2.709 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)Nc1ccc(F)cc1)OCCO3 9704185 XCURBPKKCSDKHQ-UHFFFAOYSA-N 429.473 2.630 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N[C@@H](c1ccc(F)cc1)c1cccs1 10026072 RUOSRPGWBDGAQN-IBGZPJMESA-N 429.498 2.832 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)CSc2nnc(N)s2)cc1 10231727 OEXCCZHRQKLIKH-UHFFFAOYSA-N 435.556 2.960 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)cnc21 10700183 HJOGVPGAAVKKED-GOSISDBHSA-N 426.480 2.560 0 40 IFAB CC(C)CNC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12511627 FQRMECCUFFNFON-UHFFFAOYSA-N 441.937 2.750 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CNC(=O)NCc1ccc(F)cc1 12774309 PQVPDNAUNDPQDF-UHFFFAOYSA-N 440.397 2.741 0 40 IFAB Cc1cc(=O)c(C(=O)OCc2cc(=O)n3ccsc3n2)nn1-c1ccc(Cl)cc1 12785729 YGHYTOMAZQBUJX-UHFFFAOYSA-N 428.857 2.621 0 40 IFAB COc1ccc(/C=C/C(=O)N(C)Cc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 12983608 IZFIDJDFGMUSRW-PKNBQFBNSA-N 444.553 2.696 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cnc3ccccc3n2)cc1 12990806 WMEJSPUSUPLJEX-AWEZNQCLSA-N 442.497 2.501 0 40 IFAB CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 13121197 YKAHGHBLXKJBIU-AEFFLSMTSA-N 435.933 2.730 0 40 IFAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 13169843 ZEVAOLKSCFUISU-GJZGRUSLSA-N 432.498 2.743 0 40 IFAB COc1ccc(CN(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2nccs2)cc1 13501832 INRSAQVUVYQXFU-UHFFFAOYSA-N 432.546 2.814 0 40 IFAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NC[C@@H]1COc2ccccc2O1 14184527 FETDURVNGOREGB-CQSZACIVSA-N 425.510 2.683 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1 14190110 NIPNUZHLIAQBGZ-UHFFFAOYSA-N 448.567 2.822 0 40 IFAB CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)ccc1Cl 16591674 VRZXFCXBFYPKKT-LLVKDONJSA-N 427.876 2.803 0 40 IFAB COc1cn(CC(=O)Nc2ccccc2)c(CN2CCN(c3ccccc3)CC2)cc1=O 16974754 ZBCTXQTVBNCOLI-UHFFFAOYSA-N 432.524 2.818 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(Br)o1 18203084 WJQMTOPMZDFRFC-UHFFFAOYSA-N 431.290 2.891 0 40 IFAB O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19370767 LDGROULUFJZLTB-QFIPXVFZSA-N 436.556 2.603 0 40 IFAB O=C1C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc2c(c1)OCO2 19877415 DBTAKELPQAOBBR-QGZVFWFLSA-N 447.413 2.888 0 40 IFAB COc1ccc([C@H]2N=C3NCN(CCCN(C)C)CN3c3nc4ccccc4n32)c(OC)c1 19960414 GXMNYTXBWXHDCK-QFIPXVFZSA-N 449.559 2.548 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1Cl 20492588 FPZTVALFRKFTNA-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1N1CCCCS1(=O)=O 21756425 ZFARLHBMWSFZNZ-UHFFFAOYSA-N 427.570 2.883 0 40 IFAB C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCCc2ccccc21 21833299 XLNXUZOFJJEFRM-MRXNPFEDSA-N 428.510 2.751 0 40 IFAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc23)N2CCOCC2)cc1 23106993 ZKQJMALEYHWRLT-HSZRJFAPSA-N 432.524 2.980 0 40 IFAB CCCNC(=O)CSc1nnc(SCC(=O)Nc2cccc3nsnc23)s1 26219401 PKYFMUXMPORXBA-UHFFFAOYSA-N 440.601 2.892 0 40 IFAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CN2C(=O)CNC2=O)cc1C 32820353 KALLBBMXOAFHMI-UHFFFAOYSA-N 431.496 2.666 0 40 IFAB COc1cccc(-c2cc(C(=O)N3CCN(c4cc(N5CCCCC5)ncn4)CC3)[nH]n2)c1 38488372 CZVBFILRJDMWDP-UHFFFAOYSA-N 447.543 2.828 0 40 IFAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3)CC2)C(C)C)cc1 40024144 NLWCPMMUPHADMW-JOCHJYFZSA-N 437.540 2.871 0 40 IFAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)N1CCN(c2ccccn2)CC1 49448529 UCDCCWRIYASBBC-UHFFFAOYSA-N 449.540 2.567 0 40 IFAB COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 58175635 KWRUZXOAEZMJFA-XLIONFOSSA-N 433.549 2.875 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1 64817625 GSKYDWZWGJPDFF-UHFFFAOYSA-N 431.496 2.683 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@@]1(CCCN(C(=O)c3cnn(C)c3C)CC1)O2 72394796 SUJMZKVECHJAOO-QHCPKHFHSA-N 426.517 2.543 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2cccc(C)c2)no1)N(c1ccccc1)S(C)(=O)=O 219088798 DSNFMGXLPIUJPG-SFHVURJKSA-N 428.514 2.906 0 40 IFAB Cc1ccc(CN(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 223313814 AZLROXLFTCJSLC-UHFFFAOYSA-N 429.586 2.722 0 40 IFAB CC(=O)Nc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 223318868 WZJYQASMUCLJCZ-UHFFFAOYSA-N 431.499 2.858 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(Cl)c1Cl 225245474 GIVCFCVJEGLEKK-GFCCVEGCSA-N 445.324 2.716 0 40 IFAB Ic1cccc(CNc2ncnc3c2cnn3C2CCNCC2)c1 228931506 OXGIXQRIWGOAQP-UHFFFAOYSA-N 434.285 2.968 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N1CCN(C(C)C)CC1)NC2=O 247974509 FFOCZTRFLMQFOT-JJLPPOTMSA-N 427.545 2.503 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N[C@H](C)c3ccco3)CC1)O2 253589336 AWCARCYGRPGVNU-XVTZWQNCSA-N 439.512 2.727 0 40 IFAB Cc1cccc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)c1C 260899511 LOTJHOJIPZXKBM-SFHVURJKSA-N 432.542 2.806 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c(OC)c1 408669567 WMMSPTAAYXVYCF-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 409410556 NYZDFOBTLCCPHT-KRWDZBQOSA-N 434.558 2.834 0 40 IFAB O=C(c1cncc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 572864124 UZXDRZQGPJXFMB-KXTAGPOFSA-N 437.540 2.649 0 40 IFAB CN1c2ccc(F)cc2N(CCNC(=O)COc2ccc(Cl)cc2Cl)S1(=O)=O 575613928 YGBVTYVBDVMPQV-UHFFFAOYSA-N 448.303 2.829 0 40 IFAB CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 601472507 MSIUXBQGEDWRKN-NRFANRHFSA-N 425.577 2.902 0 40 IFAB Cn1cc(C(=O)N2CCCCC3(CO)CCN(CC3)Cc3ccccc3OCC2)cn1 643578557 GISBRNZNYILKQL-UHFFFAOYSA-N 426.561 2.700 0 40 IFAB C[C@](O)(CNC(=O)CCc1nc(-c2ccncc2)no1)c1ccccc1Br 1617929356 RALIMRWNSKJSEP-IBGZPJMESA-N 431.290 2.851 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775970019 XPPHTWZTAZVMIN-CYBMUJFWSA-N 442.335 2.727 0 40 IFAB CCn1nc(C)c(S(=O)(=O)N(C)C2CN(c3ccc(-c4ccc(F)cc4)nn3)C2)c1C 1888921770 HPDOXHIRIGBZJH-UHFFFAOYSA-N 444.536 2.625 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccccc1F 2151697 LWAFJAUWIUJDHP-XFQAVAEZSA-N 426.492 2.779 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCc4ccccc43)CC2)cc1 3451123 AXZLTZBHBUTXEI-UHFFFAOYSA-N 442.537 2.528 0 40 IFAB CCN(C(=O)CSc1nnc(Nc2ccccc2C)s1)[C@H]1CCS(=O)(=O)C1 8684928 PVANHDLTMUBGEG-ZDUSSCGKSA-N 426.589 2.718 0 40 IFAB Cc1nc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c2c(C)c(C)sc2n1 8893570 OMZOIQMXUWKADU-UHFFFAOYSA-N 430.559 2.546 0 40 IFAB CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2cc(S(N)(=O)=O)ccc21 9126822 HGJYXIPIFXLQIE-UHFFFAOYSA-N 434.543 2.826 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2nnc(CC(C)C)s2)CC1 9210609 DEFKVMOLYTUGOM-UHFFFAOYSA-N 431.562 2.813 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(O)cc2)cc1 9215906 YQEAMOVJUQZBEM-QFIPXVFZSA-N 433.464 2.540 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 9225992 MBKRFJREDZQINJ-UHFFFAOYSA-N 432.498 2.568 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 9445454 TXUHAMAKSICOJE-UHFFFAOYSA-N 441.509 2.776 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 9497913 ABLHDOFKYOYOFY-FYSMJZIKSA-N 434.496 2.694 0 40 IFAB COc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C 9518784 FLXKLBQAJWZIQB-HNNXBMFYSA-N 449.486 2.881 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc2ccccc12 9569889 PBAPKVVAKAKNOZ-UHFFFAOYSA-N 441.528 2.861 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 9631156 AQMDZRLLMJTHHL-UHFFFAOYSA-N 435.477 2.541 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1=O 9725872 PTLOUVCZNLUJLW-DEOSSOPVSA-N 446.463 2.615 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9885490 PLVICBXVZOHLST-QGZVFWFLSA-N 443.525 2.523 0 40 IFAB COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)c1 10186688 CVZIYPKYQAYMGM-UHFFFAOYSA-N 425.510 2.790 0 40 IFAB CCN(CC(=O)Nc1cccc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430641 ZQTWFJOCBGUABR-UHFFFAOYSA-N 443.507 2.785 0 40 IFAB C[C@H]1CCCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)C1 10541621 DKWGRQVJOHXALA-KRWDZBQOSA-N 430.526 2.912 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)OCc5ccccc5)CC4)ncnc32)cc1 12310252 ZCCCBMFIGONLAI-UHFFFAOYSA-N 429.484 2.978 0 40 IFAB COc1cc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)c(OC)cc1Cl 12778857 NYCIDBXWZZNIAI-UHFFFAOYSA-N 434.876 2.847 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@H]2CCCC[C@H]21 12888228 VKUASLQPFNVVMI-NFBKMPQASA-N 445.629 2.663 0 40 IFAB CC(C)CCN(CC(=O)NC(=O)NC(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1 12943970 ITLFYLKBTSMAON-UHFFFAOYSA-N 437.484 2.976 0 40 IFAB CSc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 13426676 QTOOBIMWFVDYDJ-FXBPSFAMSA-N 425.554 2.628 0 40 IFAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(=O)NCc1ccccc1 14017681 WTRLDHQUZFEAMO-UHFFFAOYSA-N 429.524 2.772 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCN1CCC(C)CC1 14247126 XTPXRBZSYQDRCN-UHFFFAOYSA-N 426.487 2.931 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccccc2Br)c1 16100020 DFYATADBGMQRIE-UHFFFAOYSA-N 428.260 2.823 0 40 IFAB O=C(c1cccnc1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19368840 XBCVXLYKUROQDP-NRFANRHFSA-N 443.507 2.731 0 40 IFAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19404872 JPIOMHIEZYXPAR-HXUWFJFHSA-N 435.528 2.607 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCCc2ccccc21 20040712 QMTUWAHMTWOQEC-FQEVSTJZSA-N 430.526 2.524 0 40 IFAB CCOC(=O)C1=C(COC(=O)CSc2ccc(Br)cc2)NC(=O)N[C@@H]1C 22870349 DIYZSSWNQSQBIM-SNVBAGLBSA-N 443.319 2.603 0 40 IFAB CC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555799 LVWYKURTQYRHLQ-UHFFFAOYSA-N 440.525 2.773 0 40 IFAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(OC)ccc2OC)cc1 32639734 FNYCABQCKZBDCV-MJGOQNOKSA-N 448.566 2.987 0 40 IFAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)NC[C@H]1COc2ccccc2O1 32671946 JMEPINOVXHJWBR-HNNXBMFYSA-N 431.445 2.836 0 40 IFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](c1ccccc1)c1nccn1C 32843974 GNSKBCIVIHBMPV-HXUWFJFHSA-N 428.514 2.845 0 40 IFAB CCc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cc1 44857345 SZNBXABYNSRBEA-UHFFFAOYSA-N 429.586 2.927 0 40 IFAB CCOC(=O)N1CCC(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)CC1 67239383 NKBDJDIJMVQNST-UHFFFAOYSA-N 449.577 2.518 0 40 IFAB CCc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1 71328361 KQDCJUCBPCFTDS-UHFFFAOYSA-N 447.451 2.993 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1cn(-c2cc(-c3nc(C4CC4)no3)ccn2)cn1 71768429 FJGRPDMAHGUSBA-UHFFFAOYSA-N 430.424 2.853 0 40 IFAB NC(=O)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CCCCC1 72313029 FZCMUTDPWQSEBY-UHFFFAOYSA-N 440.157 2.678 0 40 IFAB CCOc1ccc(CC(=O)OCC(=O)NCc2cccc(OC)c2OC)cc1OCC 72330944 LIARNTXBDZELTA-UHFFFAOYSA-N 431.485 2.903 0 40 IFAB NC(=O)[C@H](NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 89774392 NZKDUMVMICTASF-BXUZGUMPSA-N 442.722 3.000 0 40 IFAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1cccs1 89878783 WRDMYAFMCJFJOI-UHFFFAOYSA-N 444.534 2.591 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)NCc4ccc(Cl)cc4)[C@H]3C2=O)cc1Cl 100036652 QBRZKIPRXBMFQC-QZTJIDSGSA-N 446.294 2.911 0 40 IFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 100563784 NEDALZTUYWOKAR-SJLPKXTDSA-N 427.844 2.646 0 40 IFAB CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn12 107189406 OADBTKCSHSOWQP-QFIPXVFZSA-N 441.539 2.543 0 40 IFAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222664155 ISCFFSROHNIRMK-YSIASYRMSA-N 439.556 2.660 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223229590 NDVBIVGAZITZFU-FQEVSTJZSA-N 439.487 2.755 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3nc(-c4cccs4)no3)ccc21 223915341 JGAWUKKRJCFRLX-UHFFFAOYSA-N 432.527 2.918 0 40 IFAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 224695346 YCLCXOHFVUWKDE-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)cc1C 224764710 CBXVFDYCMMHGOR-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB CN([C@@H](C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1)S(C)(=O)=O 225138874 BQIIPDJZYTYCMM-QGZVFWFLSA-N 434.905 2.639 0 40 IFAB CN(CCc1ccccn1)C(=O)c1c(O)ccc2c1O[C@@H]1C[C@H]3C[C@H](C3(C)C)[C@]1(O)[C@H]2O 257202710 AMZIGMMRNHQALU-YFQPGXIDSA-N 438.524 2.693 0 40 IFAB COCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n(C)n2)C1 257235558 GYIMDRXMYLXQIO-SFHVURJKSA-N 427.423 2.607 0 40 IFAB O=C1CO[C@]2(CCCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)CN1Cc1ccccc1 257309167 TZVIEAKULXUXJU-VWLOTQADSA-N 445.523 2.691 0 40 IFAB CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(c3ccccn3)CC2)c2ccccn12 306136935 QHAKYCIDQNPNQI-LJQANCHMSA-N 447.543 2.510 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 408644162 DODVOPOZUIKXSP-HNNXBMFYSA-N 444.871 2.970 0 40 IFAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 408672812 XDZGWBRESRWHIL-UHFFFAOYSA-N 433.770 3.556 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 409066240 HPRMQCPYMLOJDR-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OC)c1OC 409103353 GRSJAINPFBRZOK-LFIBNONCSA-N 425.441 2.552 0 40 IFAB COC(=O)c1cn([C@@H]2CCCN(c3nnc(-c4cc5c(s4)CC[C@H](C)C5)n3C)C2)nn1 507961001 IDJRTAWYEPXNSC-DZGCQCFKSA-N 441.561 2.888 0 40 IFAB CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)C[C@@H]2C[C@@]1(C)O 585282215 BSWNSLKXHZATBT-XOGRSFEHSA-N 444.616 2.784 0 40 IFAB O=C(Cc1ccccc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 1325114 CZDQRLDXSNPQOJ-UHFFFAOYSA-N 428.496 2.512 0 40 IFAB CCOc1ccc(CCNC(=O)CSc2nnc(-c3cccs3)n2N)cc1OCC 3309424 AETWERCUXDYKNP-UHFFFAOYSA-N 447.586 2.969 0 40 IFAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OC 3318852 FTWODCXGJFVEPI-UHFFFAOYSA-N 431.470 2.982 0 40 IFAB CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 3841416 ZBOAZFIFXVZNBE-LSDHHAIUSA-N 448.520 2.790 0 40 IFAB biogenic,in-vitro O=C(C[C@@H](CNC(=O)[C@@H]1CCCN1)c1ccc(Cl)cc1)N[C@H](C(=O)O)c1ccccc1 9170785 OMGFTVGBYYGPHB-CUWPLCDZSA-N 443.931 2.624 0 40 IFAB C[C@@H]1CN(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)C[C@@H](C)O1 9443241 MFQRMQHDKBWQNN-HZPDHXFCSA-N 449.536 2.761 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 9508624 ZRFQEAXTVLJIEB-HNNXBMFYSA-N 431.466 2.735 0 40 IFAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 9664664 LIATWDYABQIHBE-QGZVFWFLSA-N 433.599 2.654 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)c1 10442708 XAWQGHAGLXCGPS-UHFFFAOYSA-N 449.573 2.850 0 40 IFAB Cc1cccc2c(=O)n(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cnc12 10744452 ORALQIGWBNRQIT-UHFFFAOYSA-N 431.496 2.922 0 40 IFAB O=C(c1ccc(Br)o1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697526 VOPDFMFGQZAMQC-UHFFFAOYSA-N 429.278 2.933 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 11858151 YAMFQOUUBIPIKC-UHFFFAOYSA-N 434.417 2.573 0 40 IFAB CC[C@@H](Cn1nnc2ccccc2c1=O)NC(=O)Cn1c(C)c(C(C)=O)c2ccccc21 12084755 ZMAZNYYLHLHKNB-KRWDZBQOSA-N 431.496 2.852 0 40 IFAB Cc1ccc(N2CCN(C(=O)CCC3=Nc4ccccc4S(=O)(=O)N3)C[C@@H]2C)cc1 12416069 CCZCTDYPJXOJDJ-KRWDZBQOSA-N 426.542 2.834 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c(C)c1 12746191 DWCCPNLBVICQOI-QFIPXVFZSA-N 445.560 2.769 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 12931441 HXUTUFCMFADHEP-QFIPXVFZSA-N 441.597 2.938 0 40 IFAB Cc1ccccc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 12986270 KBZRPADMVNOAFN-UHFFFAOYSA-N 429.498 2.716 0 40 IFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 13032558 UNTVJIJFVLEQBH-ZDUSSCGKSA-N 438.889 2.748 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)CCNC(=O)c1ccc(Br)cc1 13040934 MPVPEGSIRYMWFQ-UHFFFAOYSA-N 432.318 2.941 0 40 IFAB Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1=S 13071854 JXNIAQXCRLZABJ-UHFFFAOYSA-N 435.600 2.644 0 40 IFAB COc1ccc(CCN2C[C@H](C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2=O)cc1OC 13130961 NBHBYWWKRXIEAH-RTWAWAEBSA-N 439.556 2.514 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 13163966 CVIMZBMTLRYEOC-LJQANCHMSA-N 435.358 2.943 0 40 IFAB O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13663055 KHDARQOQMSHBGY-UHFFFAOYSA-N 438.509 2.524 0 40 IFAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 14000178 JZEMPRHAHUPLGL-UHFFFAOYSA-N 444.557 2.679 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCOCC2)cc1 14183865 SNRDRZASXFXCOK-FQEVSTJZSA-N 441.553 2.933 0 40 IFAB CN(C(=O)CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)c1ccccc1 15019711 RUAPTSNDSGQQSE-UHFFFAOYSA-N 445.570 2.536 0 40 IFAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(O)c1 17188025 XZIHEZPKLIPXLH-UHFFFAOYSA-N 445.324 2.854 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)ccc1OC 17961587 ZYXYCKMBDVWYNP-LLVKDONJSA-N 427.320 2.857 0 40 IFAB Nn1c(SCC(=O)Nc2cccc3nsnc23)nnc1-c1ccc(OC(F)F)cc1 19077046 QDXOABQEYJHSNA-UHFFFAOYSA-N 449.468 2.996 0 40 IFAB Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19345597 MEZAQIZJHKMUSI-PMACEKPBSA-N 427.497 2.938 0 40 IFAB O=C1CCOC[C@]2(CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]2c2cccnc2)N1 19401992 AEUWLPWGOXAUCY-AHWVRZQESA-N 444.535 2.930 0 40 IFAB COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2cn(CCC(N)=O)c3ccccc23)c1 19552676 CXPPSENRXWUYQW-YKSBVNFPSA-N 438.503 2.774 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 19553463 DDCCHXQTCXVBKY-GOTSBHOMSA-N 434.544 2.772 0 40 IFAB COc1ccc(OC)c(CC(=O)N2CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 19757725 KLBZBKFSXGXHSJ-KRWDZBQOSA-N 438.528 2.597 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 20012913 QOJSKMPKHDYMAU-ZDUSSCGKSA-N 441.347 2.956 0 40 IFAB O=c1[nH]c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c12)CCCC3 22038512 NARWTZVLEXOLIZ-UHFFFAOYSA-N 438.553 2.910 0 40 IFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCS[C@H]1c1ccccc1F 22793206 XXPZGNCQMBREIU-QHCPKHFHSA-N 443.544 2.946 0 40 IFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 22805425 RRIJNSRVHZMLMJ-NRFANRHFSA-N 436.581 2.730 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCN(Cc3ccccc3F)CC2)cc1 22848687 PTMLAAAPWZHBPQ-IBGZPJMESA-N 426.536 2.737 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 22928952 CHQJSOVTVFQPFT-HXUWFJFHSA-N 440.563 2.746 0 40 IFAB CCOc1ccccc1-c1noc(Cn2c(=O)n(CCCOC)c(=O)c3ccccc32)n1 23126699 DFQVGANPIWFCTJ-UHFFFAOYSA-N 436.468 2.697 0 40 IFAB CN1C(=O)N(CC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)C(=O)C12CCCCC2 24233367 YRUZHXGQRYPVIO-UHFFFAOYSA-N 427.501 2.563 0 40 IFAB CCOC(=O)c1cccc(OC[C@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)c1 25306379 SPEJKAUHWHEELZ-JOCHJYFZSA-N 430.520 2.950 0 40 IFAB COc1ccc(C)cc1Nc1nnc(SCc2ccc(OC)c(OC)c2)n(N)c1=O 28536031 JOOVEYALUQBRPK-UHFFFAOYSA-N 429.502 2.722 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)CC2)c(F)c1 32803074 ANJSQPKTPUZDOX-UHFFFAOYSA-N 444.482 2.737 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)c3ccccc3n2)cc1 35380118 YDMYVPDAARSVEZ-UHFFFAOYSA-N 444.535 2.947 0 40 IFAB COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 35442908 YUCRWFNHSPAFNJ-UHFFFAOYSA-N 431.558 2.764 0 40 IFAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@@H](c4nncn4C)C3)cc2)c1C 48260871 GNALBSWMGORCLO-MRXNPFEDSA-N 437.504 2.897 0 40 IFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)C1 58157746 MLPKMKXOUNTIJV-QGZVFWFLSA-N 448.520 2.552 0 40 IFAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 59002886 PJKQGYFWNDHPIA-ZDUSSCGKSA-N 447.417 2.963 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1 67300820 BMKSNJBRWDESGT-UHFFFAOYSA-N 425.460 2.930 0 40 IFAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC[C@H]1CCCO1 72334401 CTJXHHLHYZKPKJ-VIICAESSSA-N 433.552 2.529 0 40 IFAB COCCN(CCOC)C(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037956 ZKWQKYXZPVKBEI-UHFFFAOYSA-N 433.512 2.981 0 40 IFAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 96121065 HZZVYHHJJVEESZ-UHFFFAOYSA-N 442.372 2.895 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)C(=O)c1ccccc1F 96518562 YECSPRQDBNYFDG-JTQLQIEISA-N 435.052 2.927 0 40 IFAB Cc1nc2cc([C@@H]3CCCN(C(=O)[C@H](C)n4ncc5ccccc5c4=O)C3)nn2c(O)c1C 100723867 UGXANAPKZAVVSK-FUHWJXTLSA-N 446.511 2.729 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 101387456 DBYMQIRMXQXHGT-ROUUACIJSA-N 427.848 2.671 0 40 IFAB Cc1ccccc1CSCCNC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219435066 LHDXNZSXRVCKRV-UHFFFAOYSA-N 432.567 2.969 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223194143 HSYUQMOWPDAXPX-QGZVFWFLSA-N 428.554 2.996 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1C 223579401 IEKPKFZGNPCSMD-UHFFFAOYSA-N 433.486 2.892 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 223664813 YNYLYWQALWWLQT-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1cccc(C)c1 225123874 HYEWUNPMXIALGP-UHFFFAOYSA-N 446.569 2.916 0 40 IFAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)N2CCOCC2)C1 225765632 YISSZKJLHMMHPU-KAISUZLGSA-N 444.553 2.807 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C[C@@H]2C)c1 248105497 LHAIHZNXGFPJCX-IMWIBFENSA-N 443.613 2.950 0 40 IFAB C[C@]12C[C@@H](Cc3ccccc3)N(Cc3ccnc(N4CCOCC4)n3)[C@H]1CCCC(=O)N2 257200882 AFFZLYRQMFIDBX-SLSDLSHTSA-N 435.572 2.558 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3cccc4c3CCCC4)CCN2C(C)=O)c1 257215338 CPQNJYNCZUUMAX-DEOSSOPVSA-N 448.567 2.769 0 40 IFAB Cc1onc(C(=O)N2CCO[C@@H](c3cncc(-c4ccccc4F)n3)C2)c1CN(C)C 257329507 XKGOTSVGNNKLBZ-HXUWFJFHSA-N 425.464 2.854 0 40 IFAB O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888987883 BQKQGARIPPSFJG-UHFFFAOYSA-N 446.389 2.577 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc(-n4cccn4)cc3)n(C)n2)c1 1889005465 SPSRDLHHSMPLIH-QFIPXVFZSA-N 447.495 2.753 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 670441 LSQBWNAZHMKJMI-DPWKNNTCSA-N 426.469 2.839 0 40 IFAB CCOC(=O)COc1c(I)cc(/C=C2\N=C(C)OC2=O)cc1OC 679180 HGNAVGQVHZZQSX-SDQBBNPISA-N 445.209 2.558 0 40 IFAB COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(/C)C(=O)O)OC2=O)[C@@]3(OC(C)=O)CC1 689749 VDGOFNMYZYBUDT-QAIYXOKBSA-N 432.469 2.871 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=S)N(CCO)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 895320 ZLCSCVVFEXGJGT-UHFFFAOYSA-N 443.525 2.745 0 40 IFAB COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 2661073 FPYNWKVXMOTTSD-UHFFFAOYSA-N 447.538 2.507 0 40 IFAB CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1 3534845 YQFVKUVMXYTDIL-UHFFFAOYSA-N 429.477 2.923 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCCCC3)cc2c1 6196829 LCJVLPGOFNLIJO-RXVVDRJESA-N 438.532 2.668 0 40 IFAB Cc1cc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)ccc1Br 8667743 NYDXWDNDUWQIOD-UHFFFAOYSA-N 445.269 2.926 0 40 IFAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9190922 PDSVVZNVKWYGTP-AWEZNQCLSA-N 435.933 2.938 0 40 IFAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 9254932 UBKVTKWUXWBOSP-UHFFFAOYSA-N 437.901 2.709 0 40 IFAB COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 9292818 RQPYEDUYSLNGJL-UHFFFAOYSA-N 447.495 2.877 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O 9844662 CXTDYPZWJLYGHW-UHFFFAOYSA-N 437.880 2.690 0 40 IFAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 10187231 OHWJQBVHEVYFMW-MRXNPFEDSA-N 439.990 2.903 0 40 IFAB Cc1cc(N2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)nc(C(C)C)n1 11077614 HMUOJYATCMYFAC-UHFFFAOYSA-N 432.528 2.725 0 40 IFAB O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(F)c(Cl)c1 11694543 BFVGAUAQZBPJSQ-UHFFFAOYSA-N 447.879 2.941 0 40 IFAB C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719835 JKEKUMADVFIZAT-GFCCVEGCSA-N 429.514 2.796 0 40 IFAB CC(C)(C)Nc1c(C2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc2ccc(F)cn12 12087494 HPEHIJCKZLHZIU-HNNXBMFYSA-N 436.553 2.825 0 40 IFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc21 12180652 YNMATZMVMGUVOQ-UHFFFAOYSA-N 428.507 2.737 0 40 IFAB CN(C(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)C1CCCCC1 12325861 QOXHFEIZKYSAPG-UHFFFAOYSA-N 436.560 2.580 0 40 IFAB Cc1cccc(NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 12533303 RJIOPCJAUPEXRP-UHFFFAOYSA-N 426.951 2.873 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cnc2ccccc2c1 12542804 DMMTUYZQOHQYBP-UHFFFAOYSA-N 425.510 2.827 0 40 IFAB CCCCN(C(=O)[C@H]1COc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12917381 MVBRINCXOJPTFT-LJQANCHMSA-N 448.523 2.552 0 40 IFAB O=C(c1ccc(Br)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13006441 VNGKDSDTGXGFTM-UHFFFAOYSA-N 433.711 2.842 0 40 IFAB COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13020564 XIDUBUHNRQZXDE-UHFFFAOYSA-N 444.481 2.852 0 40 IFAB CN(C)S(=O)(=O)c1cccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 13137888 ZRRQIZKNTYESSK-UHFFFAOYSA-N 449.532 2.933 0 40 IFAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 14165233 YSPBOWONJKJRBN-UHFFFAOYSA-N 428.466 2.516 0 40 IFAB CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)ccc1Br 15636841 RPRHYPJJYXQQEW-UHFFFAOYSA-N 430.349 2.897 0 40 IFAB CC(=O)N1CCc2c([nH]c([C@@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)nc2=O)C1 19019042 VTEUJFLRIXKZDS-NRFANRHFSA-N 446.511 2.594 0 40 IFAB Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)cc1 19135702 RPPHNTCDRIWCSO-APWZRJJASA-N 434.540 2.905 0 40 IFAB Cc1ccccc1C1(O)CCN(CC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 19236908 PJQQDRZUBUYOHR-GOSISDBHSA-N 442.581 2.872 0 40 IFAB O=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)Nc1ccccc1C(F)(F)F 19600799 VJIUFCNYQPDBBE-UHFFFAOYSA-N 431.418 2.978 0 40 IFAB COc1cc(CN2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O 19689291 CIPUYNWMOHDCJV-LJQANCHMSA-N 435.528 2.734 0 40 IFAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 19702202 VMKQFRIYWVBQGA-CQSZACIVSA-N 434.525 2.759 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 21352142 YZZQXKJABIRDOV-MRXNPFEDSA-N 429.542 2.583 0 40 IFAB COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)OCCN1CCOCC1)C(=O)OC2 22064264 RTGDFNSFWBGLEC-TVPGTPATSA-N 433.501 2.524 0 40 IFAB in-vitro CCNC(=O)COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 23136256 ZXXYXDBELIIUQD-UHFFFAOYSA-N 428.470 2.685 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 24924026 RQFNQTCMZTXEAR-KRWDZBQOSA-N 443.569 2.714 0 40 IFAB O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCn2c1nc1ccccc12 30795715 HAKWYIIXZTXGKO-UHFFFAOYSA-N 438.285 2.946 0 40 IFAB CCOC(=O)C1=C(CSc2nc3sccc3c(=O)[nH]2)NC(=O)N[C@@H]1c1ccco1 31780243 IFUYIFLLIFGILH-CYBMUJFWSA-N 432.483 2.541 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(CC(=O)N2CCCC2)CC1 32797291 JCCHWKQYPNDVJS-CQSZACIVSA-N 446.901 2.926 0 40 IFAB O=C(CN1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1)NCc1ccccc1 32904624 ZSCBIPNJDSEZQV-UHFFFAOYSA-N 428.536 2.798 0 40 IFAB CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)C1CC1 32927610 BUFICUUBZRAAQR-UHFFFAOYSA-N 437.562 2.881 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 32995846 OVFJGPPFZLEMQP-IZLCOFNUSA-N 442.537 2.655 0 40 IFAB COc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)Nc2c1c(=O)n(C)c(=O)n2C 35550002 MGZHXBNKVBNLIF-HXUWFJFHSA-N 447.491 2.667 0 40 IFAB O=C1CN(S(=O)(=O)c2ccc(Br)s2)C[C@H]2c3ccccc3CCN12 36108758 DMUNHYVBFISOQX-ZDUSSCGKSA-N 427.345 2.641 0 40 IFAB O=C(CC1CCCC1)NCCn1ncc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 56965550 VCMAYUPFKKCEGL-UHFFFAOYSA-N 447.587 2.845 0 40 IFAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CC=C(c4cccc5ccccc45)CC3)ccc2[nH]1 63773229 XCMNDVKBOCNOLV-UHFFFAOYSA-N 433.489 2.848 0 40 IFAB CCOc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 64762420 DTTVSIJWTBHQHI-GOSISDBHSA-N 432.542 2.811 0 40 IFAB O=C(N1CCOCC1)N1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 72322191 ZVJPVZJQHZWEBI-INIZCTEOSA-N 426.395 2.801 0 40 IFAB biogenic,in-vitro COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2ccc(Cl)cc2)C[C@@H]1C(=O)N(C)C 72334389 FHDVNFNEYXLZNP-QPPBQGQZSA-N 441.959 2.984 0 40 IFAB O=C(c1ccccn1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348008 HXAJFFRMMULYIZ-IBGZPJMESA-N 430.512 2.790 0 40 IFAB COc1cc(-n2cc(C(=O)NCCc3c[nH]cn3)c3ccccc3c2=O)cc(OC)c1OC 72402120 ZGDUNXHLJSFDRH-UHFFFAOYSA-N 448.479 2.712 0 40 IFAB O=C(COc1ccc(F)cc1Br)NC1CCC(N2C(=O)CCC2=O)CC1 89768444 SBYSUALBKIIQQR-UHFFFAOYSA-N 427.270 2.543 0 40 IFAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cccc(SCCC(=O)OC)c1 89960378 KBFYTMAPFFPXOS-KRWDZBQOSA-N 428.576 2.875 0 40 IFAB Cn1c(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nnc1-c1ccccc1 95943985 SSSUCGLSLCKQFV-LJQANCHMSA-N 435.503 2.832 0 40 IFAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)n2C 100819129 ZMPIHUNCMZTQHI-QURGRASLSA-N 445.566 2.619 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(CC)cc1 106615528 JCUVHQHLUVKOBM-WIYYLYMNSA-N 443.544 2.695 0 40 IFAB COc1ccc(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)nc1I 108140098 JQAWFGOOTOGFCJ-XQQFMLRXSA-N 431.318 2.791 0 40 IFAB COc1cccc(CNS(=O)(=O)c2ccc(OC)c(I)c2)c1 113941858 WYRSQIHVPACLPH-UHFFFAOYSA-N 433.267 2.787 0 40 IFAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(OCC)cc3)cc2)C1 141312310 CLXYLBYNAKUUMD-KRWDZBQOSA-N 439.512 2.982 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccc(OC)cc2)no1)N(c1ccccc1)S(C)(=O)=O 219089399 ZKOZAGKFMMUJQS-GOSISDBHSA-N 444.513 2.606 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)cc2)CC1 222911161 VUHKKHMZWKHGGK-UHFFFAOYSA-N 446.525 2.793 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)C1 223430178 AYWUUSYMERUCIB-CQSZACIVSA-N 426.589 2.831 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225112647 OPAIZZKJFKBORL-UHFFFAOYSA-N 439.461 2.688 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225534837 JYZQZHXGTPOLQH-SFHVURJKSA-N 442.516 2.729 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2csc3ccccc23)cc1 225697879 IUZZOWVGGYFMLH-KRWDZBQOSA-N 430.507 2.567 0 40 IFAB CCc1noc(CCC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)n1 257226012 FITSTDUMHMMVOP-NRFANRHFSA-N 434.924 2.781 0 40 IFAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(Nc4cnccn4)cn3)C2)cc1C 257243835 IITKFFPXEOJDNE-HXUWFJFHSA-N 441.513 2.694 0 40 IFAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2cc(C)nn2)nc(C2CC2)n1 257247804 JAOOGHZKZXXIKX-LJQANCHMSA-N 430.516 2.877 0 40 IFAB COc1ccc2c(c1)C=C(C(=O)N1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 257333446 YBOYYRURQYJUMW-JOCHJYFZSA-N 445.479 2.505 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)c3cccc(N4CCCC4)c3)C2)nc2c1CN(C(C)=O)CC2 257339996 ZEBZFCAJCYYMGX-IBGZPJMESA-N 448.571 2.653 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408595670 SOGBJOAUFNVPAT-CYBMUJFWSA-N 442.921 2.679 0 40 IFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Br)c(Cl)c1 408666604 VFCKURZVVHALSU-ARIMKUTISA-N 428.666 2.782 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709662 DXAVNFSMFAJDMY-UHFFFAOYSA-N 445.475 2.643 0 40 IFAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1 585322440 MXORPVZGCRXVJZ-UHFFFAOYSA-N 432.527 2.747 0 40 IFAB CN1CCN(C(=O)CCc2cnn(C)c2)CCOc2ccccc2Oc2ncccc2C1=O 643566294 BYRPGNAMNTVEDY-UHFFFAOYSA-N 449.511 2.533 0 40 IFAB Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC(OCc3ccc(F)cc3)CC2)c1 678175398 GTYQGRABYIBQMY-UHFFFAOYSA-N 442.470 2.869 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(OCC)cc2)cc1 892190 IELILVGPGPBJMJ-UHFFFAOYSA-N 427.486 2.969 0 40 IFAB COc1cc(Br)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC 944421 BWGLISUMVLKSRE-UHFFFAOYSA-N 441.347 2.977 0 40 IFAB O=C(O)c1ccc(Oc2ccc3c(c2)C(=O)N(N2C(=O)c4ccccc4C2=O)C3=O)cc1 3146355 MZEJKMRRMPMIPF-UHFFFAOYSA-N 428.356 2.984 0 40 IFAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ncc(C(F)(F)F)cc1Cl 3277849 PYJXRMCPVVKGHO-UHFFFAOYSA-N 441.749 2.532 0 40 IFAB CC[C@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 9049269 SEKLEKAWCKEBFK-INIZCTEOSA-N 430.526 2.505 0 40 IFAB O=C(NCc1ccccn1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 9061283 PZFATHDPBKJXOJ-DCXXXQMHSA-N 429.398 2.703 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 9263582 IQESHNVWZJMNSW-UHFFFAOYSA-N 437.525 2.686 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9335133 KAYIPGPSDHBMHO-UHFFFAOYSA-N 447.468 2.810 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 9414554 UDDDHWHLYOZMEB-UHFFFAOYSA-N 440.529 2.868 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(-n2cnnn2)c1 9491701 GFDNZSVPDPPYHD-UHFFFAOYSA-N 438.488 2.549 0 40 IFAB COCCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccccc2c1=O 9588976 MADHLKIVDMMYSW-UHFFFAOYSA-N 428.901 2.997 0 40 IFAB CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C)c5)CC4)ncnc32)cc1 9851283 OHHIAISOMIOMJO-UHFFFAOYSA-N 443.511 2.880 0 40 IFAB CCOC(=O)c1sc(NC(=O)CCCS(=O)(=O)c2ccc(OC)cc2)nc1C 9913566 GAGHPDPGKOGNDI-UHFFFAOYSA-N 426.516 2.829 0 40 IFAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)NCc3ccc4c(c3)OCO4)nnc12 9968897 GJMYDSNKRUCJSP-UHFFFAOYSA-N 447.495 2.678 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)cc1F 10272362 OSUHACGAIHMTAB-UHFFFAOYSA-N 433.461 2.999 0 40 IFAB Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(=O)[nH]1 10458430 AZZWEMCFDMDDKS-HUUCEWRRSA-N 431.558 2.588 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 11904652 BUMHFRXTDTVTOW-UHFFFAOYSA-N 432.882 2.655 0 40 IFAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccccc1Br)c1ccc(F)cc1 12575505 PXMFWMKOVPBTIN-GOSISDBHSA-N 445.292 2.957 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccccc1Cl 12661874 ITIKCEQVKLXGJD-YCRPNKLZSA-N 444.871 2.834 0 40 IFAB biogenic COc1ccc(N(CCC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 12691662 IDFQPRAIIYBPTI-UHFFFAOYSA-N 432.542 2.756 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1OCC(F)(F)F 12773252 NNEIQXWZCNQDCS-CYBMUJFWSA-N 445.463 2.907 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)c1 12809148 FRHWTTNTWIQNCC-UHFFFAOYSA-N 446.920 2.831 0 40 IFAB O=C(c1ccc[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 13004604 UINWPQKVGVIKSP-UHFFFAOYSA-N 429.542 2.569 0 40 IFAB COc1cccc2[nH]c(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12 13691707 VPKNIGBBCKCVFQ-UHFFFAOYSA-N 426.904 2.909 0 40 IFAB COc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 14226344 OZSKTAUQQWVXKV-OAQYLSRUSA-N 449.866 2.988 0 40 IFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1 17191056 WFFFUTBKWFTOEN-LJQANCHMSA-N 446.525 2.835 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4cccs4)CC3)CC2)cc1 21903588 HKWMBUGSOFJZIK-UHFFFAOYSA-N 447.626 2.802 0 40 IFAB CCOC(=O)c1sc(NC(=O)N(C)CC(=O)NC(C)(C)C)c(C(=O)OCC)c1C 24571494 GBZOFMCYGHSESA-UHFFFAOYSA-N 427.523 2.788 0 40 IFAB Cc1ccc(-c2nonc2NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 27985910 DLJKMMSOQMWQIF-OAHLLOKOSA-N 441.513 2.732 0 40 IFAB COc1cc(C)c(CN2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1OC 32784152 FLYLOLBBBJRBHJ-UHFFFAOYSA-N 444.576 2.732 0 40 IFAB CCN(C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCCCC1 34889299 YPMDOTPRPQKKRQ-KRWDZBQOSA-N 425.570 2.702 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N(C)Cc1cccs1 39990652 DRKBKUPBBWANHJ-QFIPXVFZSA-N 437.569 2.682 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 40158020 NZXWTHMUWISLES-UHFFFAOYSA-N 446.934 2.870 0 40 IFAB C[C@H](C(=O)NCCn1nc(-c2cccs2)ccc1=O)n1nc(-c2ccccc2)ccc1=O 42381001 ZFTZULRBAPZJGU-MRXNPFEDSA-N 447.520 2.573 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1ccc(OC)c(OC)c1 46539599 SDNOQLWWPUGQMK-UHFFFAOYSA-N 428.485 2.895 0 40 IFAB O=C(c1ccc2c(c1)OCO2)N1CCCN(c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 62007402 UIODJVJTWCSJGX-UHFFFAOYSA-N 434.452 2.887 0 40 IFAB CC(C)(C)c1csc(NC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)n1 72326080 QTGLGKYHYYGTHQ-QFIPXVFZSA-N 442.541 2.910 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3-c3cc(C)no3)C2)cc1 72334767 FIGPFDUNHIFGRE-HNNXBMFYSA-N 429.502 2.900 0 40 IFAB COc1ccccc1NC(=O)[C@H]1CN(C(=O)COc2ccc(F)cc2)Cc2cn(C)nc21 72345619 VOVXDGARNJALPM-SFHVURJKSA-N 438.459 2.711 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1 95447501 FNUFLOYSHULLNG-UHFFFAOYSA-N 445.969 2.623 0 40 IFAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4cccc(Cl)c4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143791 LTHURITYZVHGEN-WMZHIEFXSA-N 431.964 2.909 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)c3sc(NC(=O)CCC(=O)O)nc3C)c2c1 96343511 RPRGRLYIGSKMKK-UHFFFAOYSA-N 430.486 2.717 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)N[C@H](C)c3ccccc3Cl)CC2)C1 104198332 ACLCBKDMLFZOMZ-GUDVDZBRSA-N 435.012 2.639 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(=O)O 106756331 PNNFOAOOOXBDRK-BOPFTXTBSA-N 448.497 2.598 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 139127749 WANZSJPXXCBWIC-UHFFFAOYSA-N 438.889 2.644 0 40 IFAB COc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 224032629 SSQZJMDPBKKDLC-UHFFFAOYSA-N 448.541 2.687 0 40 IFAB Cc1ccc(OCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1Cl 224188631 KEQVXRMZLNNQEF-UHFFFAOYSA-N 428.913 2.744 0 40 IFAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1 225411289 HLTIRFVVPLOXKB-MOPGFXCFSA-N 427.555 2.969 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3OC)CC2)cc1 225498788 UPDYWDJGOHLDEZ-UHFFFAOYSA-N 446.569 2.854 0 40 IFAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1 225880795 BEGRQBYVQBZAOX-ZDUSSCGKSA-N 430.577 2.842 0 40 IFAB O=C(O)c1cc(S(=O)(=O)N2CC[C@H](Oc3ncccc3Br)C2)ccc1F 238955254 XVGMYYGBDRBRQN-JTQLQIEISA-N 445.266 2.523 0 40 IFAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(C(=O)CCCN4CCCC4=O)CCO3)nc2)n1 257237558 HHARSXQDUWVYRH-HXUWFJFHSA-N 438.532 2.535 0 40 IFAB O=C(c1ccccc1)N1C[C@@H]2NS(=O)(=O)c3ccccc3N(C(=O)c3ccccc3)[C@H]2C1 306129661 IJDDWORJAQKCIK-FPOVZHCZSA-N 447.516 2.519 0 40 IFAB CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn12 306142727 XHNIPJHKZDPRRU-FQEVSTJZSA-N 447.568 2.605 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 408556590 JPRYVHYQMBIOHB-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 408628294 WCKOMWOONLOSCI-UHFFFAOYSA-N 440.319 2.812 0 40 IFAB NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)cc1 524732835 RYNQQVCRQMOOBG-FQEVSTJZSA-N 428.448 2.624 0 40 IFAB Cc1nc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc(C(F)(F)F)n1 585149473 VWZBGFVMYNWBLO-UHFFFAOYSA-N 437.447 2.863 0 40 IFAB COC[C@]1(CNC(=O)NC[C@]2(COC)OCCc3ccccc32)OCCc2ccccc21 685907842 GPBHJFNVAYUQFY-PLQXJYEYSA-N 440.540 2.515 0 40 IFAB C[C@@H](Sc1nc(CC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cs1)C(N)=O 1531363573 GXXKJWLGVCPYML-SECBINFHSA-N 437.497 2.969 0 40 IFAB C[C@@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1683303018 HRRAMCLTJJXDFV-BMLIUANNSA-N 447.344 2.530 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@H](C)O1 2456917 QFALVAPNWLUXLE-STQMWFEESA-N 448.526 2.848 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)CC1 4077739 HOXSKSDFASYTOV-UHFFFAOYSA-N 448.570 2.783 0 40 IFAB Cc1cc(O[C@@H](C)C(=O)NCCCN2CCCC2=O)c2c3c(c(=O)oc2c1)CCCC3 6660022 HCINKRVEEMPDML-INIZCTEOSA-N 426.513 2.876 0 40 IFAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8719667 PDQWDIGVCGKIMW-LBPRGKRZSA-N 445.520 2.713 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 8938981 KDPCVHOESUNZQV-GOSISDBHSA-N 430.526 2.821 0 40 IFAB C[C@H](OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC(N)=O 9334414 OFMDLKYWPBNSAJ-LBPRGKRZSA-N 446.916 2.957 0 40 IFAB Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCN1c1ccccc1 9518814 XANJQZININVJFO-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB Cn1c(N)c(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c(=O)[nH]c1=O 9603452 MUDHBFLTACOPRO-UHFFFAOYSA-N 445.551 2.811 0 40 IFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9816378 IMYNIEMNBKQAGE-OAQYLSRUSA-N 429.860 2.907 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 9828630 YOMUJZHALITCED-UHFFFAOYSA-N 435.502 2.951 0 40 IFAB CC[C@@H](C)n1nccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 9885573 WDFHONIEISKHNE-IQIBNGDESA-N 448.545 2.536 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)c(Cl)c1 10273281 WOKMULVKYFUXJI-IAGOWNOFSA-N 433.802 2.859 0 40 IFAB COc1cccc([C@@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)c1 10297104 WZKIVBSPRABQEO-LJQANCHMSA-N 433.428 2.556 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10546754 DDQCFWHRUOAMOX-SFHVURJKSA-N 426.542 2.674 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12584368 WXOFXAAAMJYYCN-UHFFFAOYSA-N 432.480 2.570 0 40 IFAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12814579 SNLLXHQAJOQFSB-OAHLLOKOSA-N 436.493 2.892 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@H](NC(C)=O)c1ccccc1 13012616 XIRKELXDLZIZHY-IBGZPJMESA-N 425.485 2.512 0 40 IFAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2N(C)C)cc1 13893541 SKSLYUVPTZQWPF-GOSISDBHSA-N 428.514 2.511 0 40 IFAB O=C([C@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)c2ccccc2O1)N1CCOCC1 15048426 PKDSBAVDZOJMSQ-XMMPIXPASA-N 446.503 2.908 0 40 IFAB O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)cc1 16149501 LZITXALANXBJEF-UHFFFAOYSA-N 426.450 2.587 0 40 IFAB COc1ccccc1-n1c(S)nnc1CNC(=O)c1cc(OC)c(OC)c(OC)c1 16974209 QZYLUZDJXCCMCH-UHFFFAOYSA-N 430.486 2.520 0 40 IFAB COc1ncc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)cn1 19572015 XPVSHRIUICNPHC-IBGZPJMESA-N 438.532 2.649 0 40 IFAB Cc1nc(C2CCN(C(=O)Cn3cccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 19739256 ZORPDOJARACVAZ-UHFFFAOYSA-N 444.539 2.867 0 40 IFAB Cc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)nc2c1CCC(=O)N2Cc1ccccn1 19740471 AXORPJZBFROJML-NRFANRHFSA-N 448.571 2.809 0 40 IFAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1 20447968 ZGJCWPWOGMHLIF-UHFFFAOYSA-N 443.388 2.895 0 40 IFAB COc1ccc(NC(=N)Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)c(OC)c1 20503053 JGPGFOKSIBZZIO-UHFFFAOYSA-N 433.519 2.698 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ncn3n2)cc1 21027542 LMPIEBJXSNNOJT-UHFFFAOYSA-N 437.887 2.927 0 40 IFAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN1CCOCC1 21486568 SAAZQVVLZYUJQQ-UHFFFAOYSA-N 434.514 2.880 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)Nc1nc(CN2CCCCC2)cs1 22290094 JFMHYIKUJNWZPC-UHFFFAOYSA-N 427.324 2.853 0 40 IFAB O=C(N[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccccc1)c1ccccc1 22607242 SKAIOGCUQMBYET-UYAOXDASSA-N 443.507 2.643 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(C(C)(C)C)cs3)CC2)cc1 22630386 LJHUTBBUEFPQRZ-UHFFFAOYSA-N 430.574 2.984 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 22696854 XYBCOOFAUNWZHN-OAQYLSRUSA-N 429.517 2.754 0 40 IFAB CCOC(=O)CSc1nnc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)s1 22961871 MEZFCZGZGJJCQQ-ZDUSSCGKSA-N 436.515 2.563 0 40 IFAB CCOC(=O)c1cc2oc([C@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2[nH]1 26440459 VUKNJWUZHOXJBW-LJQANCHMSA-N 428.493 2.851 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 29765303 INHUYOYEWYQQIA-QGZVFWFLSA-N 446.525 2.911 0 40 IFAB CCOc1ccc(Br)cc1S(=O)(=O)N(CCC(N)=O)c1ccccc1 31669112 VKOOSUSGGFCHMK-UHFFFAOYSA-N 427.320 2.919 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCN(CCOc3ccccc3)CC2)(c2ccccc2)CC1 32701263 HPWMRQDGATUKLH-UHFFFAOYSA-N 435.568 2.790 0 40 IFAB COc1cccc(C(=O)N2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)c1 32764723 LWWZDLUTCGCJSI-UHFFFAOYSA-N 441.553 2.594 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1cc(C)cc(C)c1 35374261 NTUYVDRNNJLZOK-UHFFFAOYSA-N 435.484 2.585 0 40 IFAB COc1nn(C)cc1C(=O)N(CCN1CCOCC1)c1nc2c(C)cc(Cl)cc2s1 38837683 DJSLLEKUXRRELM-UHFFFAOYSA-N 449.964 2.979 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(=O)NCC(C)C)O2 38855179 RUUQYRDCUKBVJT-HXUWFJFHSA-N 445.541 2.547 0 40 IFAB COCCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)Nc1cccc(C)c1 40152128 WNTAXVWIPWNSQE-UHFFFAOYSA-N 428.514 2.621 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)N1C(=O)c2ccccc2C1=O 40158916 LQCUFJLJUWXCSI-OSGQAZFXSA-N 446.569 2.888 0 40 IFAB COc1ccc(CN(Cc2csc(-c3ncccn3)n2)[C@H]2CCS(=O)(=O)C2)cc1 48290190 QAIWLOIHNZOJEA-KRWDZBQOSA-N 430.555 2.798 0 40 IFAB COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)c1 49405877 QUWRVGQIISPPBI-UHFFFAOYSA-N 433.512 2.548 0 40 IFAB O=C(c1cncc(Br)c1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 56903465 AHYZVACFPPUFMQ-UHFFFAOYSA-N 425.290 2.659 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 58908666 LIGSNTJAXNPFTO-UHFFFAOYSA-N 436.493 2.590 0 40 IFAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77198180 IVEXNUSJRMQVFZ-UHFFFAOYSA-N 432.933 2.852 0 40 IFAB Cc1cc2ncn(C[C@@H](O)CNCc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C 78823052 WMRKITDPKYBVPR-IBGZPJMESA-N 433.512 2.965 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(CCSC)cc3)C2)cc1 95454961 CKEJQPTZXNYMMZ-UHFFFAOYSA-N 435.571 2.795 0 40 IFAB O=S(=O)(Nc1ccccn1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 95466326 SWJUBMRKRCLVJV-UHFFFAOYSA-N 425.438 2.961 0 40 IFAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)N1CCN(Cc2ccncc2)CC1 96118878 BNBALHVKHGGEGY-UHFFFAOYSA-N 429.480 2.574 0 40 IFAB COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C(C)C 96223416 JUDGDWZNWVBLMO-ZDUSSCGKSA-N 430.486 2.502 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)s4)CC3)C2=O)cc1OC 101490521 NNDKNWDCSBMBLK-MRXNPFEDSA-N 449.960 2.868 0 40 IFAB O=C(COC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1O)c1ccc(F)cc1 102642493 DPDOCARDVDSZEL-BMHXQBNDSA-N 435.407 2.883 0 40 IFAB CCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103389839 JXUBNYDFTNBUGI-IXYNUQLISA-N 436.603 2.737 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)NCCn3nc(-c4ccco4)n(C4CC4)c3=O)c2O1 211073910 MFMKELJPENGVHF-UHFFFAOYSA-N 438.484 2.548 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccc(F)cc1F 220092019 KLVLUEAYRQTEIW-UHFFFAOYSA-N 432.489 2.920 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223538739 LUQPSSROEFAVGI-LJQANCHMSA-N 445.585 2.786 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(=O)(=O)CC)c4ccccc4O3)ccc21 225100815 PICHFEGIBXRLEP-KRWDZBQOSA-N 447.538 2.639 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)COc3ccccc3C)CC2)cc1 225499463 AQOYWJXXJABETD-SFHVURJKSA-N 446.569 2.988 0 40 IFAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 238863707 LGRSIUBWLXXATE-UHFFFAOYSA-N 443.550 2.761 0 40 IFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1 238968842 ZFDFLHKJRMOJPF-UHFFFAOYSA-N 449.507 2.537 0 40 IFAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CN(C(=O)Cc3nnc(N)s3)CCO2)n1 257326850 WYXBHZZFMNFFDN-SFHVURJKSA-N 427.505 2.696 0 40 IFAB COc1ncccc1C(=O)N(C)[C@@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@H]1O 257335817 YLZSINSTCORBSI-PQNGQFLHSA-N 425.529 2.540 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408666804 SOKQLFWEJHRSKX-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1ccc(C)o1 408980624 GDSHASIRBXGIEC-DPWKNNTCSA-N 426.469 2.839 0 40 IFAB C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 555163141 HLVGDDLSZZIREM-KRWDZBQOSA-N 443.569 2.871 0 40 IFAB COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604403933 FCHXSQLYKMXCAZ-QGZVFWFLSA-N 441.484 2.540 0 40 IFAB biogenic CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)c1 1261134410 WAZPFEDLPKGCMO-UHFFFAOYSA-N 434.533 2.676 0 40 IFAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3nc4nccc(C)n4n3)s2)cc1 3292468 PZOPLUBJEAWSOK-UHFFFAOYSA-N 441.498 2.615 0 40 IFAB CC(C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 3311898 ZTZXYXQXTHLYMD-UHFFFAOYSA-N 438.933 2.842 0 40 IFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O 3362658 XHPQTFLDSQYFNS-GTNSWQLSSA-N 441.269 2.730 0 40 IFAB CCOC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 8769876 QQYADFBUESLAEN-UHFFFAOYSA-N 428.510 2.687 0 40 IFAB COCCNC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)c1 8918085 RRBHMUXJNMHRDH-DEOSSOPVSA-N 432.480 2.784 0 40 IFAB biogenic CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CCCc3ccccc3)c2n1 8947465 YMLPRWTWYGLHQT-UHFFFAOYSA-N 440.573 2.524 0 40 IFAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cn1 9012604 QASJTJYSEODCGD-NSHDSACASA-N 446.312 2.627 0 40 IFAB CCn1c(SCC(=O)Nc2ccccc2C(C)=O)nc2cc(S(N)(=O)=O)ccc21 9126791 RUVYZHWNIJOEEJ-UHFFFAOYSA-N 432.527 2.637 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3F)C2)c1 9410920 GJXSLWRSZBKEMG-SFHVURJKSA-N 433.461 2.740 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2OC)C[S@](=O)C3)cc1 9413803 QMMDQCOHNNAWJF-SSEXGKCCSA-N 427.482 2.913 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1Cl 9525889 XWILETMOSUHUIY-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1C 9650467 MKHNBRABJQLTKO-UHFFFAOYSA-N 433.511 2.665 0 40 IFAB CCn1c(CCC(=O)NCc2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 9672155 PFLGSZNXORERHA-UHFFFAOYSA-N 428.558 2.864 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1C 9743482 ZYPDZYJOXGFNLP-IBGZPJMESA-N 443.569 2.992 0 40 IFAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OC 12651079 IOBDOUSJWKPYLX-UHFFFAOYSA-N 437.949 2.609 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C 12888366 UFUTYTNJGFEAHR-UHFFFAOYSA-N 429.542 2.847 0 40 IFAB O=C1c2ccccc2C(=O)N1OCC(=O)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 12961335 SMZNEMOZGZRKGT-QRQCRPRQSA-N 430.416 2.891 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)NC1CCCCCC1 12998935 MTLIIEGYTMOHJW-UHFFFAOYSA-N 431.961 2.624 0 40 IFAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 13005609 JCRXTKGGMWYYDH-GOSISDBHSA-N 436.530 2.814 0 40 IFAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 13671820 ZZTKAHSSGOCZOR-MRXNPFEDSA-N 448.541 2.686 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715322 OATGEXCRRVOPPJ-IBGZPJMESA-N 449.548 2.728 0 40 IFAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1cc(Cl)ccc1N1CCOCC1 14095052 RDMCELMZRCWEIH-UHFFFAOYSA-N 441.912 2.623 0 40 IFAB CSCC[C@H]1N[C@]2(C(=O)Nc3c(C)cc(C)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15958446 KIYSKRKTROCGKB-ZHSNQQFMSA-N 427.570 2.720 0 40 IFAB biogenic CCOC(=O)N1CCN([C@H](c2cccc(OC)c2)c2sc3nc(CC)nn3c2O)CC1 16690239 LIAVSLQFVMAPHU-QGZVFWFLSA-N 445.545 2.931 0 40 IFAB COc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(F)ccc3OC)nn2)cc1 16838944 RNYAIBQAXLCKLD-UHFFFAOYSA-N 433.461 2.657 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 17370489 JCJGEIXSZKBCPX-INIZCTEOSA-N 432.542 2.982 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 17735141 PUOJAQPINWKOAV-UHFFFAOYSA-N 448.932 2.719 0 40 IFAB O=C(c1cc2ncc(Br)cn2n1)N1CCN(Cc2cccc(F)c2F)CC1 22500551 ATUNUZCAEZQKHX-UHFFFAOYSA-N 436.260 2.728 0 40 IFAB O=C(NCCCN1CCOCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 22508906 PQFNYXGEPWFMGO-UHFFFAOYSA-N 437.949 2.593 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(CCC(N)=O)n2C2CC2)c(Br)c1 22749534 JSGNGPJXKJJBLW-UHFFFAOYSA-N 438.351 2.833 0 40 IFAB COc1cccc(-c2csc(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)n2)c1 23145050 DREUBCJNYVZANA-UHFFFAOYSA-N 448.570 2.930 0 40 IFAB CCCNC(=O)[C@@H](C)OC(=O)[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C 23277506 TVZTVPNEJJWVRV-BXUZGUMPSA-N 439.361 2.754 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 24025434 BAMRHVVGHGHIGE-CQSZACIVSA-N 436.917 2.694 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cccc(NC(=O)C3CC3)c2)s1 25752483 HXODFEJGFADRFL-SFHVURJKSA-N 447.582 2.875 0 40 IFAB CC[C@H](Oc1c2ccoc2c(OC)c2oc(C)cc(=O)c12)C(=O)OCCN1CCOCC1 31959978 MXBAIRRCJVIFLS-KRWDZBQOSA-N 445.468 2.889 0 40 IFAB C[C@H](NC(=O)CSCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)OCCO2 32907779 GNLUTECKODFHEL-AWEZNQCLSA-N 426.494 2.664 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 32999989 SBGFOBFBKOWBSU-AZUAARDMSA-N 433.549 2.831 0 40 IFAB CCOC(=O)/C=c1\s/c(=C/c2ccc(SC)cc2)c(=O)n1Cc1ccc(F)cc1 33466760 PRKDREKBWLWBRG-JFUXKBHTSA-N 429.538 2.992 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 34856348 KRQIHWBGPUIWED-LJQANCHMSA-N 427.570 2.669 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3)cc2C1=O 36188703 UODIQZFDPXUHAA-AWEZNQCLSA-N 443.500 2.787 0 40 IFAB CCN(C(=O)/C=C/c1c(F)cccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 40129010 DHKSQBLQRMDSCP-VAWYXSNFSA-N 426.423 2.512 0 40 IFAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)CC1 40150135 XHSCUBWKHYITPA-UHFFFAOYSA-N 439.534 2.518 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)NCCN1CCN(c2ccccc2F)CC1 56997702 YWSYJJWPJFCNPQ-UHFFFAOYSA-N 427.929 2.588 0 40 IFAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1I 57439733 NLLVVGIRTHSRNS-UHFFFAOYSA-N 437.281 2.758 0 40 IFAB Cc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1C 58180484 YMLJJKUNGUHJNS-GOSISDBHSA-N 426.536 2.802 0 40 IFAB COc1cccc(C(=O)Cn2nc3n(Cc4ccccc4)c(=O)c4ccccc4n3c2=O)c1 64860581 QVPNKOTZZMIAPU-UHFFFAOYSA-N 440.459 2.751 0 40 IFAB COc1cc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc(OC)c1 71328277 LDJQLDYXJLFRRZ-UHFFFAOYSA-N 435.440 2.719 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCCCC[C@@H]2Cc2c(C(N)=O)sc3ccccc23)n1 72370761 JMHGIMSARLSKFL-MRXNPFEDSA-N 438.553 2.879 0 40 IFAB C[C@H]1CN([C@@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 95983143 YZVVCKDWANFVSW-LPHOPBHVSA-N 439.959 2.612 0 40 IFAB O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]12 100088232 KSOCXRSCFJVURG-HADRDDKBSA-N 436.552 2.916 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)c1 107601397 CCSBHDGAKMXEJH-SFHVURJKSA-N 432.542 2.729 0 40 IFAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc(OC)c1 139111226 QAUQKLLMAGBFJF-GOEBONIOSA-N 425.489 2.612 0 40 IFAB COc1ccc(-c2noc(CNC(=O)CCCN(c3ccccc3)S(C)(=O)=O)n2)cc1 219176310 ODWQVPSUHQGSLU-UHFFFAOYSA-N 444.513 2.608 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 220291409 LIHUZIHSTXPPGL-HNNXBMFYSA-N 428.514 2.770 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccc(Br)cc1 223642457 MRGZMXHSHPPKQC-UHFFFAOYSA-N 429.311 2.713 0 40 IFAB COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1N1CCCC1=O 224050575 DHQGTFUOAJMOAV-UHFFFAOYSA-N 444.553 2.849 0 40 IFAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 224189825 NDOYMPIMCHRYJG-UHFFFAOYSA-N 446.525 2.658 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)cc1 224814233 DDZOKBQNPHUNEE-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CCCSc1nnc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)s1 225178092 IUMUXPSJEFNBER-UHFFFAOYSA-N 444.560 2.564 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225223529 DTABJTUSVQZNNC-IBGZPJMESA-N 445.585 2.541 0 40 IFAB CNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1 226861142 IPIVRDOWCIYUTN-UHFFFAOYSA-N 432.523 2.656 0 40 IFAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)C(=O)N1CCOCC1 408607869 QSKBVBBKQXEGBL-CYBMUJFWSA-N 442.896 2.906 0 40 IFAB Cc1ccc(CN(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 408623290 SDHLWDYEBYBZCJ-UHFFFAOYSA-N 440.569 2.897 0 40 IFAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc(I)c1O 408631811 LWOMHSJMGJZTSB-YHYXMXQVSA-N 434.211 2.915 0 40 IFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(I)c2)C1=O 409073013 WUHLXFDBOPAKQH-LQGZHCLWSA-N 447.250 2.898 0 40 IFAB CCn1c(O)nc2cc(C(=O)N3CC[C@]4(CCN(Cc5ccccc5)C4)C3)ccc2c1=O 553504463 MKTIUHIFLZCKKW-VWLOTQADSA-N 432.524 2.860 0 40 IFAB Cc1nnsc1C(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 618256053 DXCUZOHZVQLIAS-UHFFFAOYSA-N 440.495 2.687 0 40 IFAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)cc1 932151 FVKZQWOPUPLIRE-UHFFFAOYSA-N 442.501 2.759 0 40 IFAB CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 2317088 VNNZLGIBHWIYBJ-XMTFNYHQSA-N 443.297 2.831 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCCN1C(=O)c2ccccc2C1=O)c1cccs1 2617223 CHLUZRZIEITRIB-IBGZPJMESA-N 448.500 2.929 0 40 IFAB O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(NS(=O)(=O)c3ccccc3)c(=O)n1C2 3841316 LPAVLDYJCDATHG-PKOBYXMFSA-N 449.532 2.909 0 40 IFAB biogenic,in-vitro COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1OC 4738732 GDHWNNYMUAUJEG-GOSISDBHSA-N 427.501 2.977 0 40 IFAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 8601549 RGQGXYVFPHIGLA-OAQYLSRUSA-N 440.521 2.844 0 40 IFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 8898099 DUHGFCNQSWNZPN-MRXNPFEDSA-N 426.502 2.757 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C 9303895 KBFKDLIHODKNJP-UHFFFAOYSA-N 446.558 2.558 0 40 IFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 9643594 OZSZAHCCRHAZMJ-UHFFFAOYSA-N 441.513 2.661 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)cc1 9715329 QULPKINWQCUZCJ-HNNXBMFYSA-N 447.513 2.913 0 40 IFAB COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(c5ncccn5)CC4)nc3C2)c(OC)c1 10157310 VPHJHGWFAMKILU-INIZCTEOSA-N 446.511 2.523 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)C1 10557753 LNOBMCNWXXXRAG-INIZCTEOSA-N 433.530 2.583 0 40 IFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)NCc1ccc(F)cc1 11758543 YRIVZULWAQDNLS-UHFFFAOYSA-N 426.452 2.956 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 12128224 OZMUGSBUGJNFKR-GOSISDBHSA-N 449.511 2.973 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1 12140450 OBHXFRSZUGJXLK-UHFFFAOYSA-N 446.529 2.554 0 40 IFAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 12537236 QZFPAPBMMYRMJD-KRWDZBQOSA-N 427.501 2.656 0 40 IFAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 12919061 IWOCUGOWFHXXOP-UHFFFAOYSA-N 443.979 2.582 0 40 IFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)N(C)Cc3c(F)cccc3Cl)c(=O)c12 12995440 HXBOVVALEPNFFV-UHFFFAOYSA-N 435.839 2.926 0 40 IFAB O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 13014072 ZNJKSKHTINKXBV-UHFFFAOYSA-N 437.481 2.536 0 40 IFAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1)Nc1ccccc1Cl 13063184 RWZLIAICAAAFSM-UHFFFAOYSA-N 449.287 2.983 0 40 IFAB CCOc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1S(=O)(=O)N1CCCC1 13102100 YWEPBDHRFSIZNE-UHFFFAOYSA-N 446.451 2.724 0 40 IFAB Cn1c(SCCN2CCCC2)nnc1C1CCN(S(=O)(=O)c2ccccc2)CC1 13565099 VKGWXTOXWJETQQ-UHFFFAOYSA-N 435.619 2.571 0 40 IFAB O=C1C[C@H](N(O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C(=O)N1c1cccc(Cl)c1 13750601 RMEDJTYVJVFEDI-HOTGVXAUSA-N 448.262 2.649 0 40 IFAB Cc1cccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 14085143 DTUXXOKZVMPPMW-UHFFFAOYSA-N 438.496 2.965 0 40 IFAB CCN(CC)C(=O)CN(C)S(=O)(=O)c1cc(Br)ccc1Br 14166445 CQPLWHWPOJAMNM-UHFFFAOYSA-N 442.173 2.701 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14244773 VSWSSNIDSRZNBA-UHFFFAOYSA-N 428.510 2.943 0 40 IFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 16834514 UUDOZUNHHGGZBV-QHCPKHFHSA-N 426.492 2.771 0 40 IFAB Cc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccc(F)cc2)cc1 17042180 YJHPZRPNEDFLPU-UHFFFAOYSA-N 442.516 2.870 0 40 IFAB CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n21 18173758 IMGSSVNZFGBASN-CNSVBDKNSA-N 449.532 2.592 0 40 IFAB CCOC(=O)C1=C(COC(=O)COc2ccc(CC)cc2)NC(=O)N[C@@H]1c1ccco1 18287220 HMBLVZDGVNAGAL-HXUWFJFHSA-N 428.441 2.635 0 40 IFAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)CCn4nnnc4C)C3)cc2)cc1 19212375 RSVKVFFOMVBSBW-RUZDIDTESA-N 446.555 2.684 0 40 IFAB CCN1CCN([C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527963 YOPUJLCMFGLDBP-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)C1 19561318 YZDFTJASBKQAQH-SJORKVTESA-N 433.574 2.634 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)CCc3ccccc3)CC1)C2=O 19700712 FWTILNARRMQEPD-UHFFFAOYSA-N 440.588 2.654 0 40 IFAB CSc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)cc2)cc1 19831786 BYJHLCNOGOTPRL-UHFFFAOYSA-N 433.599 2.686 0 40 IFAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 21624886 NOJVLVQBPMMWQY-LLVKDONJSA-N 432.470 2.932 0 40 IFAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 22202566 USWYXXFJQCTYPQ-HXUWFJFHSA-N 427.570 2.790 0 40 IFAB Fc1ccccc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22929036 GYHPIIOOROCYOB-NZQKXSOJSA-N 436.535 2.898 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC 26111850 OOZARAAUFFHXQC-UHFFFAOYSA-N 437.949 2.528 0 40 IFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 32824113 RPQKOBDFKQSZFK-GFCCVEGCSA-N 447.904 2.633 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)O)c4ccccc34)C2=O)o1 35214435 HPRWXPLREDXTPR-SXGWCWSVSA-N 437.408 2.507 0 40 IFAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(F)c(Cl)c1 49409265 SWTYZNYQGZDGJD-UHFFFAOYSA-N 441.912 2.844 0 40 IFAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4cc(Br)ccc4n3)CC2)cc1 58159596 LUTUGCQFOVMDKA-UHFFFAOYSA-N 441.329 2.982 0 40 IFAB C[C@H](C(=O)N1CCCCCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326594 VRYCKLGPGGCEPL-QRQCRPRQSA-N 432.952 2.995 0 40 IFAB COc1ccc(-n2nnc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 77100319 ONESJQJIWCEKAA-UHFFFAOYSA-N 432.406 2.652 0 40 IFAB COc1cc(NC2CCN(CC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc(OC)c1 79025629 OHIRDJRIRPLWGE-IERDGZPVSA-N 432.565 2.985 0 40 IFAB COc1c(-c2c3sc(=O)[nH]c3nc3c2c(=O)[nH]n3C(C)C)cc2c(c1OC)OCO2 85412506 VYRWZIHVJMRFDC-UHFFFAOYSA-N 430.442 2.621 0 40 IFAB O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1Cl 85894234 NPBFYMGWDHWZCP-GOSISDBHSA-N 427.888 2.518 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC3=CCCCC3)c2)CC1 95482547 ROQHPPPLUZLTCR-UHFFFAOYSA-N 425.982 2.896 0 40 IFAB CN(C)S(=O)(=O)N1CCc2nc(NC(=O)Nc3cccc(C(F)(F)F)c3)sc2C1 96096390 SBHJLWSRTMBZIS-UHFFFAOYSA-N 449.480 2.970 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1OC 96105492 PMUADEVZAIKHLV-UHFFFAOYSA-N 431.533 2.847 0 40 IFAB COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)nc2ccc(Br)cn2c1=O 96221118 QGAKXUOBRSGBMY-CYBMUJFWSA-N 447.241 2.556 0 40 IFAB biogenic CCOc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 101166177 PFNSOOOZUMNPKV-MSOLQXFVSA-N 427.848 2.671 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@H]1CCC[C@H]1Cc1ccco1 136607886 AUDRWADRXKYILE-HUUJSLGLSA-N 437.540 2.695 0 40 IFAB biogenic O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nccs1)[C@H]1CC(=O)N(c2ccccc2)C1 206346296 IRXJZLUOMANHDG-HKUYNNGSSA-N 434.521 2.862 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219695448 OEQOULWQAMYENC-AWEZNQCLSA-N 426.922 2.553 0 40 IFAB COc1ccc(C(=O)NCc2cccc3ccccc23)cc1S(=O)(=O)N1CCOCC1 222918526 PQUJFGMFHVMPAU-UHFFFAOYSA-N 440.521 2.799 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)Nc1nnc(SC(C)C)s1)CN2S(C)(=O)=O 223092426 GHEMZOJFDXWKKR-CYBMUJFWSA-N 428.561 2.513 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(OC)cc(OC)c1 223447759 HYVNWDVDBPWBQE-OAQYLSRUSA-N 430.501 2.645 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCCN2CCCCC2)s1)c1ccccc1Cl 223566070 SRDYHKOPMJYGFX-UHFFFAOYSA-N 443.982 2.598 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225583275 CTTFYCNONPOPBL-INIZCTEOSA-N 438.521 2.964 0 40 IFAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)CN1S(C)(=O)=O 257250806 JOBUNIZYZXHSMS-UHFFFAOYSA-N 445.532 2.753 0 40 IFAB Cc1nccc(C(=O)N(C)[C@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)n1 257263616 LQTMLNMJNQXJSI-YYCSQBPTSA-N 439.556 2.854 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4cccc(C)c4)C[C@H]2C3)cc1 306129289 HZVQACIDIBIEPH-MSOLQXFVSA-N 431.496 2.792 0 40 IFAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)S(C)(=O)=O 408603066 FDYWQSRKPASJQD-UHFFFAOYSA-N 447.557 2.937 0 40 IFAB COc1cc([C@H]2NCCC(=O)N2)cc(I)c1OCc1ccccc1 408738824 VYEZJAZOUKFYBE-SFHVURJKSA-N 438.265 2.987 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 409164774 NSLJEKCQBPTWCI-FUHWJXTLSA-N 429.590 2.944 0 40 IFAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCC(=O)N1CCOCC1 409376194 VSGCMBKSEDEXSS-FQEVSTJZSA-N 443.525 2.692 0 40 IFAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 552960318 MJAYHIJUKPPSQU-KSZLIROESA-N 435.509 2.506 0 40 IFAB COc1ccc(OC)c([C@H](O)[C@H](C)NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 1177259561 OTPVJUSTJCDXDB-KPZWWZAWSA-N 435.546 2.926 0 40 IFAB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 870155 BJWVCVVFJQFLGN-UHFFFAOYSA-N 448.541 2.920 0 40 IFAB CNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1 987783 OGPAHBYNEJBWTE-UHFFFAOYSA-N 434.871 2.989 0 40 IFAB O=C(OCC(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3237592 PZXXJLZAAQXYQF-UHFFFAOYSA-N 428.510 2.607 0 40 IFAB C[C@H]1CCCCN1CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4003866 PBEDSCNJJLEVCT-SFHVURJKSA-N 434.540 2.537 0 40 IFAB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1cccs1 8622944 SFBGHANYRHUWLH-GSPCDJLXSA-N 446.575 2.548 0 40 IFAB O=C1N[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 8741792 BODOZRWTHTUGOG-XJKCOSOUSA-N 444.207 2.948 0 40 IFAB CCOc1ccc(N2CCn3c2nn(Cc2ccc(Br)cc2)c(=O)c3=O)cc1 8849575 WUKLVJRJIURGKO-UHFFFAOYSA-N 443.301 2.766 0 40 IFAB O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 8986057 CHKIXCAYLDENJZ-UHFFFAOYSA-N 442.415 2.581 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)c(F)c1 9033981 IWVFNFUVXBTIBC-XOBRGWDASA-N 432.379 2.781 0 40 IFAB biogenic CCCCN(C(=O)CNc1ccc(C(F)(F)F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 9368596 WFVBTNZLKIGHKG-UHFFFAOYSA-N 441.454 2.793 0 40 IFAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9741831 FEGFKUOCKJWSJA-UHFFFAOYSA-N 429.498 2.798 0 40 IFAB CCOc1cc([C@@H]2c3c(-c4ccc(OC)cc4)nnc(O)c3Nc3nnnn32)ccc1O 10295571 HRUITNRAKISRKM-LJQANCHMSA-N 433.428 2.643 0 40 IFAB COc1cc(C(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc(OC)c1OC 11696732 IFEZYSDNYVTBGF-UHFFFAOYSA-N 438.488 2.791 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 11859861 LUYSMPIWLNBQAS-SFHVURJKSA-N 432.498 2.698 0 40 IFAB O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12825181 PITGQVNWPUQVPB-UHFFFAOYSA-N 436.917 2.648 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 12880968 AXEDREGAYDYBRJ-UHFFFAOYSA-N 428.963 2.780 0 40 IFAB CCOCc1c(C(=O)OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)oc2ccccc12 12947224 WURXBKUFEGYVNV-UHFFFAOYSA-N 446.481 2.721 0 40 IFAB Cc1ccc2c(c1)CCCN2CC(=O)NCCNC(=O)CN1CCCc2cc(C)ccc21 13056286 DIGXREMITUQXHR-UHFFFAOYSA-N 434.584 2.741 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 13114762 GKWJJDXJRWODEI-HNNXBMFYSA-N 447.461 2.986 0 40 IFAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)C2=O)c(C)c1 13138901 ZSRKRMRGEWIZRI-MRXNPFEDSA-N 435.933 2.951 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13164524 XTMHDFUMIFOSRE-YCRREMRBSA-N 446.500 2.533 0 40 IFAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NCC)c1 13679156 GVXFAAONKJBABH-UHFFFAOYSA-N 433.530 2.776 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@H](C)Cc3ccco3)cc1O2 13691018 NDFPPZJFOJMVMV-MRXNPFEDSA-N 440.496 2.752 0 40 IFAB COc1ccc([C@@H]2SCC(=O)N2NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 13756461 UZHIPWGVGJWKGX-QFIPXVFZSA-N 440.477 2.794 0 40 IFAB Cc1ccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)C2=O)c(C)c1 13757865 OKOPGRVLYHLRNB-WOJBJXKFSA-N 435.480 2.575 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 13810000 ZFKRAQMLLKSJCD-ZNQKWNQWSA-N 448.500 2.527 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 14076876 ISGSYKYPVMTBFQ-CQSZACIVSA-N 438.889 2.778 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1 14162297 KWBNIGMAECMPOH-DEOSSOPVSA-N 430.464 2.605 0 40 IFAB CCN(C(=O)c1nc(Cl)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14585146 LTZSSNAFHFZSJX-UHFFFAOYSA-N 434.283 2.536 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 14870880 DSFIQOSBWLDQAT-UHFFFAOYSA-N 429.542 2.563 0 40 IFAB CN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1 15014988 ATNGJIUSOCCAMK-UHFFFAOYSA-N 442.368 2.963 0 40 IFAB CCN(CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 16563080 SDAYRCHCFDKIJV-UHFFFAOYSA-N 442.585 2.997 0 40 IFAB Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)n1 17012841 DKCPNGOAJWZEPW-UHFFFAOYSA-N 437.569 2.614 0 40 IFAB COc1ccc([C@@H]2C(C(=O)N3CCN(c4ccccc4)CC3)=C(C)Nc3ncnn32)cc1 17096986 XBYDAVHHIRMQKF-JOCHJYFZSA-N 430.512 2.924 0 40 IFAB COc1cccc([C@@H]2CN(C(=O)CN3Cc4ccccc4C3=O)C[C@]23CCCCC(=O)N3)c1 19566097 WIWCFACPZMTIAQ-BKMJKUGQSA-N 447.535 2.706 0 40 IFAB Cc1cccc(CC(=O)N2CCC(c3nc([C@H]4CC(=O)N(C)C4)cc(N(C)C)n3)CC2)c1 19697503 LRUXTJRUVUJKMV-FQEVSTJZSA-N 435.572 2.745 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)ncc1C(=O)N1CCCC1 19762945 LCCPGDBNLXCFRK-SFHVURJKSA-N 449.555 2.608 0 40 IFAB C[C@H]1Cc2cc(CN3CCC(c4ccc(C(=O)N5CCOCC5)c(N)n4)CC3)ccc2O1 19765806 INZDFSGZSNKCCK-KRWDZBQOSA-N 436.556 2.839 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 20674628 NDCWRDAJXXOZTG-YADHBBJMSA-N 434.540 2.519 0 40 IFAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCCC5)nnnc4c23)CO1 20827928 LIXDVOQSBQNNNC-UHFFFAOYSA-N 426.546 2.923 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CC(=O)NC(C)(C)C)CC1 21842056 CYQJPXBOTKEEQL-IBGZPJMESA-N 429.609 2.536 0 40 IFAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)NC[C@H](c1cccs1)N1CCOCC1 22357827 FXRTZSAMZRGLRZ-LJQANCHMSA-N 428.558 2.969 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CCOCC2)cc1 23107511 PUGMYBUXRAZDQS-HXUWFJFHSA-N 431.920 2.785 0 40 IFAB Cn1c(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc2n(C)c1=O 32901990 KPEJIYZIIZGONQ-UHFFFAOYSA-N 446.307 2.922 0 40 IFAB CCCn1c(SCC(=O)NCCCN2CCCC2=O)nc2sc3c(c2c1=O)CCC3 32945164 VTFSWGVVEHPLNK-UHFFFAOYSA-N 448.614 2.578 0 40 IFAB COc1ccc(-c2noc([C@@H]3C[C@H](NCc4ccc(S(C)(=O)=O)cc4)CN3C)n2)cc1 35424518 UZVWGWRLWAIHDG-PXNSSMCTSA-N 442.541 2.684 0 40 IFAB biogenic,in-vitro CCN(CC)CCOc1ccccc1CNC(=O)Cn1cnc2ccc(F)cc2c1=O 40151637 OSXYTLAPUKLSKI-UHFFFAOYSA-N 426.492 2.573 0 40 IFAB O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2cnn(Cc3ccccc3)c2)c1 40157501 HIMBRWITAPIPFW-UHFFFAOYSA-N 447.539 2.522 0 40 IFAB CCc1nc2nc3ccn(-c4nc(COC)n[nH]4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 40372862 JXKMSLMWMABLEJ-UHFFFAOYSA-N 436.863 2.576 0 40 IFAB C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)O1 48309603 ZPSQBQIRCKGMAU-NFAWXSAZSA-N 435.359 2.851 0 40 IFAB Cc1ccc(NC(=O)Cn2nc3n(CCCOC(C)C)c(=O)c4ccccc4n3c2=O)cc1 64580716 OVKIOSLTVGXOGL-UHFFFAOYSA-N 449.511 2.573 0 40 IFAB Cc1ccc(CNC(=O)COC(=O)COc2ccc(I)cc2)cc1 72330990 ANPYFHZBWOMOIQ-UHFFFAOYSA-N 439.249 2.838 0 40 IFAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)c2Cl)cc1 84150406 XYGIRISVVYUZAW-IBGZPJMESA-N 444.963 2.913 0 40 IFAB CN1CCc2nc3ccccc3c(C(=O)NCc3ccccc3CN3CCOCC3)c2C1 95956732 UAZYCHRDCSDYRX-UHFFFAOYSA-N 430.552 2.985 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222416685 AHESIKWSEBUWPT-LJQANCHMSA-N 445.585 2.541 0 40 IFAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1)CCCC2 222911949 LRAGZQRHCUNITB-UHFFFAOYSA-N 430.526 2.847 0 40 IFAB COC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 223295107 OJXYAONBSCDMIB-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB COc1ccccc1OCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223897310 GMJZBZCVHDFNDZ-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1=O 245284441 RVKCMPYSZJYMFU-BDPHEOEISA-N 428.529 2.921 0 40 IFAB Cc1cnc(C(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)C4)C2)cn1 257225428 FGDZHEBNUFLGOQ-GOSISDBHSA-N 428.496 2.602 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNS(=O)(=O)c2cn(C)cn2)CC1 257277456 NYASBDSNKYVUHZ-HDJSIYSDSA-N 447.586 2.642 0 40 IFAB O=C(CCn1cnnn1)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257331550 XTIMNIPKGZWNBD-LJQANCHMSA-N 446.433 2.668 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1Cl 408557732 HPPMHSSQGJZXJB-LLVKDONJSA-N 428.894 2.671 0 40 IFAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)cc1 540480509 QSUQNVGXXALGJW-GOSISDBHSA-N 433.578 2.909 0 40 IFAB Cc1cc(O[C@@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)nc(C)n1 575609829 QOSBPPCJVIMCSA-LJQANCHMSA-N 431.558 2.888 0 40 IFAB CCC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2sccc2C1 589075449 HFWGTLJMVBJXKA-KBXCAEBGSA-N 439.537 2.602 0 40 IFAB O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N1Cc2cccc(Br)c2C1 681501891 ZRWFSHOAXFDJQD-GFCCVEGCSA-N 425.308 2.553 0 40 IFAB O=C(NCCCCN1CCC[C@H]1CO)c1ccc(Cn2cc(Br)cn2)s1 1630076741 NGZXGGVBQSEZTR-HNNXBMFYSA-N 441.395 2.722 0 40 IFAB CC(C)NC(=O)c1nnc(N2CCOC3(CCCCCC3)C2)n1CCc1ccncc1 1741680936 NMXOMLWKYAPCMJ-UHFFFAOYSA-N 426.565 2.984 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1 1888897679 CIWXKCUXQSBCBS-IRXDYDNUSA-N 445.589 2.834 0 40 IFAB O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1I 2225091 MBWTXFKYCWMFND-UHFFFAOYSA-N 438.250 2.588 0 40 IFAB C[C@@H](COc1ccccc1)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3406883 YEBUJAGQAMYNNB-HNNXBMFYSA-N 439.917 2.985 0 40 IFAB CN(C(=O)CSc1nnnn1C(C)(C)C)c1ccccc1C(=O)NCc1ccco1 8777532 MPKZOEYMUHJMRU-UHFFFAOYSA-N 428.518 2.706 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 8927426 HRDPIVUBJLTKPP-CYBMUJFWSA-N 435.263 2.913 0 40 IFAB CCCCCn1nc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc2c1=O 9120499 NSADUIKYBPQFRL-UHFFFAOYSA-N 442.497 2.543 0 40 IFAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9134701 CZBFUZQHLXMHKJ-MRXNPFEDSA-N 430.555 2.751 0 40 IFAB COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCN3CCOCC3)c(=N)c21 9252769 YHNDFFIOEZNIDS-OAQYLSRUSA-N 434.496 2.695 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(OC)cc3)C2)c1 9349061 QATWIFHFWRGYNA-IBGZPJMESA-N 437.543 2.568 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n(CCN(C)C)c2c1CCC2 9745329 XMWMHKKWGGCRRB-UHFFFAOYSA-N 436.965 2.686 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)NC(c3ccccc3)c3ccccc3)C2=O)cc1 9791617 PGBZAYFMIQLZTN-UHFFFAOYSA-N 443.459 2.896 0 40 IFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)c(C)c1 9829667 SGSSVHCCLCXKPK-UHFFFAOYSA-N 442.523 2.548 0 40 IFAB CCc1cc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)sc1C 9985081 ROKUUFWZWNSFCH-UHFFFAOYSA-N 435.571 2.757 0 40 IFAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1NS(C)(=O)=O 10112902 KTNQXEYKHVCJDR-MRXNPFEDSA-N 431.514 2.528 0 40 IFAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030666 VDDQFQVHEAVDQI-INIZCTEOSA-N 447.456 2.919 0 40 IFAB C[C@H](C(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1)c1ccccc1 12133223 YGJNSWLJYKHUDG-KRWDZBQOSA-N 442.585 2.990 0 40 IFAB O=C1NC2(CCN(C(=O)C3CCN(C(=O)Cc4ccccc4)CC3)CC2)Oc2ccccc21 12183525 GHEASFWESRXBNU-UHFFFAOYSA-N 447.535 2.609 0 40 IFAB COc1ccc(CN2CCC(CNC(=O)CN3C(=O)[C@@H](C)Oc4ccccc43)CC2)cc1 12186192 FPARJGOLXRKFGQ-GOSISDBHSA-N 437.540 2.838 0 40 IFAB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 12274207 RBXHWXTXPSWMMA-KRWDZBQOSA-N 437.573 2.842 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)cc1OC 12348302 HYHGHNWDJRBAEQ-UHFFFAOYSA-N 426.498 2.812 0 40 IFAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(Br)ccc1-n1cnnn1 12389950 REMSOJUBRHRNBF-UHFFFAOYSA-N 441.289 2.913 0 40 IFAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C 12696494 LWZJUWCHDLHKRH-NQIIRXRSSA-N 448.585 2.919 0 40 IFAB CCN(CC)Cc1ccc(CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 12791938 ZFDSJAFFLXWLDG-UHFFFAOYSA-N 433.936 2.985 0 40 IFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C 12849466 PAUWUTPQRXWWKD-RBUKOAKNSA-N 433.574 2.750 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)C2CC2)s1 12889947 PAQHCLAJWDEYTF-UHFFFAOYSA-N 426.498 2.622 0 40 IFAB CCCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 13110093 PZCDMYALFUXCQT-UHFFFAOYSA-N 430.954 2.978 0 40 IFAB O=C(NCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 13127873 VBGUXTVILJAYNN-NVXWUHKLSA-N 441.429 2.745 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)/C(=C\c2cccc(OC)c2OC)n2ccccc2=O)C1 13944039 WVQCLEZSTWIQFP-CMAIMYMYSA-N 440.496 2.665 0 40 IFAB CN(C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)[C@@H]1CCS(=O)(=O)C1 15513179 CAMOUBZYXLHTOY-PCJMVEANSA-N 437.514 2.617 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3CCN(C(=O)c4ccco4)CC3)ccc21 16548368 NBWFBZBILJPDJG-HNNXBMFYSA-N 438.480 2.855 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 18115210 GUMLEWHKCLFUNX-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB O=C1CCOC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2cccnc2)N1 19340007 VIBLRJMAOBZDJU-URXFXBBRSA-N 431.496 2.539 0 40 IFAB CCN1CCN(C(=O)CCn2cnnn2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527601 GPESKWPZMWQFFW-QFIPXVFZSA-N 446.555 2.588 0 40 IFAB CCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527604 NIZKUUWYTYPJOJ-JOCHJYFZSA-N 431.540 2.803 0 40 IFAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCCN(CC(=O)N(C)C)C4)nc32)c1 19741408 GVFPYPGSSUSKDV-NRFANRHFSA-N 449.599 2.883 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccccc1 19742034 SGFXHGCVZNLSID-FQEVSTJZSA-N 430.512 2.825 0 40 IFAB Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)CN4CCCCCC4=O)C3)cc(C(F)(F)F)c12 19742170 IPQDRVJALJQPHC-GFCCVEGCSA-N 438.454 2.668 0 40 IFAB CCN(CC)CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19744334 NXJPJDXXJAFSKX-NRFANRHFSA-N 435.572 2.922 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3ccnn3C)CC2)cc1 19756402 WSOHZDZFMKCSHL-UHFFFAOYSA-N 436.516 2.509 0 40 IFAB CCOc1ccc(Nc2nc(N)nc(CN3CCN(CCc4ccccc4)CC3)n2)cc1 19899198 ISSZDMOEAHNTIU-UHFFFAOYSA-N 433.560 2.956 0 40 IFAB COC(=O)c1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 20063955 JIURCWOAQCVFJN-UHFFFAOYSA-N 446.481 2.640 0 40 IFAB O=C1CS(=O)(=O)[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(F)cc1 20577201 AVLMOMXENPPIME-HSZRJFAPSA-N 436.464 2.987 0 40 IFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21 21756875 OVHDKJJEYHNEQK-UHFFFAOYSA-N 431.514 2.680 0 40 IFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 23819972 ZAFACPVDTSZJJG-OAQYLSRUSA-N 432.524 2.631 0 40 IFAB CCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nnc1-c1ccc(Cl)cc1 24866447 QFOSZNLSBPNNIK-UHFFFAOYSA-N 437.997 2.938 0 40 IFAB CC(C)(C)c1ccc(Cn2nccc2NC(=O)Cn2nnn(-c3cccs3)c2=O)cc1 25812971 HBVIBLLJYFBCPA-UHFFFAOYSA-N 437.529 2.672 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1SC[C@H]1CCCO1 27218181 VNXGFGZERDPZDC-GOSISDBHSA-N 434.583 2.937 0 40 IFAB Cc1cc(-c2ccccc2)nc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 28031237 ZRVYHZKLOUAJME-UHFFFAOYSA-N 425.514 2.830 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)NCCSc2ccc(Cl)cc2)cc1 29325485 CLIMKUDBCDEJHC-UHFFFAOYSA-N 443.978 2.718 0 40 IFAB Cc1nc(SCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)sc1CC(N)=O 32871371 WDTIKPJPZZAYED-LJQANCHMSA-N 435.571 2.856 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3cnn(C)c3n2)cc1 36613442 XXWSQGNVNGNQEX-UHFFFAOYSA-N 442.523 2.997 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)CC1 38699836 GGGTWLPHDAMYRI-UHFFFAOYSA-N 441.553 2.890 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCOc2cccc3c2OC(C)(C)C3)c1 40074738 BPVCUQCSBAHVLV-UHFFFAOYSA-N 446.569 2.881 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCCC1=CCCCC1 40477225 XKARXLBCUMPOOQ-UHFFFAOYSA-N 426.908 2.696 0 40 IFAB Cc1oc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 48289614 MKCADTJGVDENIE-KRWDZBQOSA-N 445.541 2.863 0 40 IFAB CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 58203078 XXJGSXQBWQYVSI-WMZOPIPTSA-N 437.606 2.711 0 40 IFAB COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 59309116 PNXVQRLKDFTJHB-IBGZPJMESA-N 428.916 2.933 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 89969034 NRNXRCOMKGGRJJ-DYESRHJHSA-N 447.601 2.641 0 40 IFAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 100234592 AMXFLPQIHBXLOP-MRXNPFEDSA-N 425.533 2.626 0 40 IFAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 101590079 ODRSGVPAKCIRNW-MBDNFAEBSA-N 443.459 2.517 0 40 IFAB O=C(C1=NN[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12)c1ccc2ccccc2n1 107287805 RIJCPJYQLUYCDK-FUHWJXTLSA-N 438.365 2.954 0 40 IFAB CSCC[C@@H](NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn12 108514028 FIROJLYMDIRMDX-QZTJIDSGSA-N 439.589 2.963 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)CC1 216447529 WGADXPVKFLUAFO-UHFFFAOYSA-N 443.569 2.583 0 40 IFAB COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218096758 TXNPCUZOXBUYCO-JQVVWYNYSA-N 432.542 2.857 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220461184 HBMBLEIMDLTDPK-ZDUSSCGKSA-N 437.468 2.885 0 40 IFAB COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 222728868 BHCBKHCSITUJAP-INIZCTEOSA-N 448.541 2.890 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 224550854 URKRRBNLSBIIEG-LJQANCHMSA-N 439.622 2.649 0 40 IFAB CN(CC(=O)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1)S(C)(=O)=O 225254756 KNJDGUVQSJOVSL-CXUHLZMHSA-N 442.563 2.791 0 40 IFAB COc1cc(C(=O)NCc2cccc(-c3nn(C)cc3-c3ccncc3)c2)nc(OC)n1 257293355 QPDBUXSSJPYBPK-UHFFFAOYSA-N 430.468 2.886 0 40 IFAB Cn1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n(C)n3)C2)cn1 257322858 WHSTXRLOIDRUIF-HXUWFJFHSA-N 429.908 2.642 0 40 IFAB Cc1nc(CN2CC[C@]3(CN(C(=O)N(C)C)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306132029 KVYASFZTGNRYCH-LAUBAEHRSA-N 430.578 2.729 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 408549383 YQBSAHVJXZCCIJ-OAQYLSRUSA-N 443.525 2.968 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 408680923 TZFVWMITEACWQB-UHFFFAOYSA-N 432.832 2.810 0 40 IFAB COCCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 409000571 XNJCIELFSDGGJN-FQEVSTJZSA-N 428.485 2.568 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1 409383041 QVJYXDMNNAMLIH-UHFFFAOYSA-N 426.922 2.731 0 40 IFAB CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(OC)c(OC)c2Br)C1=O 535917236 CFBCXHJXTKTQCT-SFHVURJKSA-N 437.294 2.557 0 40 IFAB C[C@H](NC(=O)c1ccc2nnc(O)n2c1)c1ccccc1NS(=O)(=O)c1cccs1 536521271 GJNBGDIJJAZIAM-LBPRGKRZSA-N 443.510 2.788 0 40 IFAB CCOc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 585271782 HMMXVBWRWBKMEE-JOCHJYFZSA-N 444.572 2.668 0 40 IFAB Cc1ncc(S(=O)(=O)N2CCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)[nH]1 643563347 SCWSVMULRIEQKO-QUCCMNQESA-N 446.573 2.965 0 40 IFAB CCn1nc2c(cc1=O)CN([C@@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 678973594 HCDIMUSJGAANRK-LJQANCHMSA-N 434.462 2.831 0 40 IFAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 684345125 NSNGVLAKOBMDGJ-GXFFZTMASA-N 431.283 2.731 0 40 IFAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)Nc1cc2oc(O)nc2cc1F 1632546619 CUOVGUKUZHTXRR-QYOFDKIESA-N 441.337 2.597 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1cccs1 631401 JSBZIBSZMZQZKI-GTVARFKMSA-N 440.546 2.868 0 40 IFAB CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc12 850077 GIWFEZJMQGPRKV-HNNXBMFYSA-N 440.525 2.517 0 40 IFAB CC(C)CC(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334758 CVOXQYBQJNBHFB-HNNXBMFYSA-N 428.924 2.968 0 40 IFAB COc1ccccc1C(=O)NC(=S)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 2362973 ZARSRTPQCPIKOA-UHFFFAOYSA-N 438.538 2.974 0 40 IFAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O 3321570 RCGXCTHMJQPCAC-MRXNPFEDSA-N 429.258 2.586 0 40 IFAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3456113 VIFWGSIQIBHXHP-UHFFFAOYSA-N 429.498 2.798 0 40 IFAB COC(=O)c1sc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C 4112483 UHPMASPYRFBPID-UHFFFAOYSA-N 427.544 2.877 0 40 IFAB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C1 4325454 FYLZQLHJWXPYGZ-AWEZNQCLSA-N 431.489 2.567 0 40 IFAB CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3snc4c(O)ncnc34)cc2)C1 8582558 YCRRQQUNXHMDLQ-LBPRGKRZSA-N 427.486 2.824 0 40 IFAB COc1cc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8915756 SFEXMFXVTMJKGP-QGZVFWFLSA-N 437.489 2.681 0 40 IFAB COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 9035654 YOPOCYDMUOCBLI-ZDUSSCGKSA-N 439.331 2.789 0 40 IFAB Cc1cc(C)cc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1 9124509 LEOUKXIGQGDTHP-UHFFFAOYSA-N 448.571 2.858 0 40 IFAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC4CC4)c3)cc2NC1=O 9217161 AHNBOUTXCYABJP-JTQLQIEISA-N 435.889 2.752 0 40 IFAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)NCc1ccco1 9224155 QQNXPARZRRCRDJ-UHFFFAOYSA-N 432.429 2.693 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2nn(C)c(=O)c3ccccc23)ccc1C 9403404 JFSGXXBLKOJIOD-UHFFFAOYSA-N 428.514 2.525 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)cc1 9518033 QEXZLSRUIDALNF-UHFFFAOYSA-N 437.481 2.538 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 9547828 MAWVZQVYLFQARL-GOSISDBHSA-N 443.525 2.887 0 40 IFAB Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 9860693 JHMUMASOYFUPKC-UXHICEINSA-N 443.594 2.956 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 10314291 KBVQBRXJUQPTLN-UHFFFAOYSA-N 439.559 2.649 0 40 IFAB CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 12162999 KDIZNYQYEANHKF-DHLKQENFSA-N 440.588 2.719 0 40 IFAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1ncc2ccccc2c1=O 12182929 XVTUTZFGTIOPTB-LJQANCHMSA-N 449.536 2.523 0 40 IFAB COc1cc(-c2cnc(NCCN3CCCC3=O)nc2-c2cccs2)nc(OC)n1 12327943 OTEIIQUILKYFDC-UHFFFAOYSA-N 426.502 2.714 0 40 IFAB COc1ccc(N[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 12644964 MRPZYRNJSBGAIG-HNNXBMFYSA-N 443.525 2.881 0 40 IFAB C[C@@]1(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)NC(=O)NC1=O 12751951 CSXGVNCSCLYUGJ-AOMKIAJQSA-N 442.541 2.537 0 40 IFAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 12994442 PDMIFVBTTIJDLR-IBGZPJMESA-N 427.526 2.878 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCc3ccccc3C2)c1 13038825 QFLPPURWWNODLY-UHFFFAOYSA-N 431.558 2.723 0 40 IFAB CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cs1 13062769 VETFYYPEGKAFDG-UHFFFAOYSA-N 449.385 2.915 0 40 IFAB CCOc1cc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O 13513555 GNYBGNZJCFFIEW-WQRHYEAKSA-N 425.441 2.829 0 40 IFAB CCc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@H](O)CN2CCOCC2)cc1 13987358 MHOAQGGSCVBCDP-VWLOTQADSA-N 434.584 2.944 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1 15080069 LDMSSCBRHLGNJN-UHFFFAOYSA-N 427.448 2.894 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)CCOc2ccc(F)cc2)cc1 15101558 NLGLJTOFNBUCKK-MRXNPFEDSA-N 437.537 2.850 0 40 IFAB CCCCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)cc1 17271288 XITZBOHKKZIOFR-UHFFFAOYSA-N 442.545 2.654 0 40 IFAB Cc1nc2c(c(N3CCN(C(=O)c4cccnc4)CC3)n1)CN(Cc1ccccc1)CC2 19286213 VINOELRATDSTDJ-UHFFFAOYSA-N 428.540 2.701 0 40 IFAB Cc1cnc2c(C(=O)N3CCC(CC(=O)N4CCN(c5ccccc5)CC4)CC3)cnn2c1 19748429 HSVVWCQYJAMYNV-UHFFFAOYSA-N 446.555 2.629 0 40 IFAB CCOc1ccccc1C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 19765889 HTMPGBFSIPZQLV-UHFFFAOYSA-N 438.528 2.555 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c1 20237148 PUENXJWDRUACFE-UHFFFAOYSA-N 438.571 2.687 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(F)cc1 20245090 JJQJKYHMGUANAM-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB COc1cccc(N(CC(=O)NCc2ccc(OC(C)C)c(OC)c2)S(C)(=O)=O)c1 22332146 SWUXNZSXHFUOKC-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB O=C(COC(=O)c1cccnc1N1CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 22358651 RDSNDLBDMPIHML-UHFFFAOYSA-N 426.517 2.633 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 22518581 HSKKZSYOBRPIPF-UHFFFAOYSA-N 438.933 2.642 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)c1 23863552 QOMCDXOFRHWVGI-UHFFFAOYSA-N 429.853 2.873 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1C 24638228 FJFLSRVRVGMNCO-UHFFFAOYSA-N 437.569 2.927 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(OC(F)(F)F)cc2)cc1 24934502 JDTCSIHTSLWJCJ-UHFFFAOYSA-N 431.388 2.810 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1 28047172 UJVIBGYPUWBCOU-UHFFFAOYSA-N 447.376 2.614 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 30496033 BXBZPSNEFSPOFD-UHFFFAOYSA-N 433.961 2.973 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2O1 32772540 GDTDJMBHYTVDPF-HXUWFJFHSA-N 441.915 2.732 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 32803086 VGPNZOUOHADIAO-OAQYLSRUSA-N 447.557 2.741 0 40 IFAB O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1O 32859672 HLFRGSUHYLPAPQ-OAHLLOKOSA-N 429.922 2.551 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccccc1Cn1ccnc1 32909628 XNZADEFOURLHOR-UHFFFAOYSA-N 425.539 2.550 0 40 IFAB CCc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)Nc3ccccc3)CC2)cc1 58159755 KTYYODIODWGSFF-UHFFFAOYSA-N 430.574 2.959 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1 58170552 KTRJQNKRYDSJDA-IBGZPJMESA-N 444.539 2.728 0 40 IFAB O=S1(=O)CC[C@H](c2nnc(C3(c4ccc(Br)cc4)CCOCC3)o2)C1 72273537 OYOVGDIQICJLIR-LBPRGKRZSA-N 427.320 2.831 0 40 IFAB Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 72371145 ZNKZUJNSFPNSGK-HXUWFJFHSA-N 435.528 2.544 0 40 IFAB COc1ccc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)cc1Cn1ccnc1 72392485 JSKHPDHRMPRODM-UHFFFAOYSA-N 447.586 2.575 0 40 IFAB O=C(O)c1c(F)c(I)nc(I)c1Cl 95611711 AYEKYUYHDVMFOR-UHFFFAOYSA-N 427.338 2.782 0 40 IFAB O=C(CN1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1)Nc1ccc(OC(F)(F)F)cc1 96888431 DIQMJSQQXIMTLH-LJQANCHMSA-N 449.429 2.672 0 40 IFAB Cc1c(S(=O)(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cnn1C 100688374 YDLNXLZJAVUUDI-OKILXGFUSA-N 447.586 2.689 0 40 IFAB COc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H]3[C@@H](C)C(=O)C[C@@H](c5ccco5)N3C(=O)[C@H]24)c1 100786013 SOLPERFSTZHDQZ-NXOXSHGPSA-N 448.475 2.728 0 40 IFAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC1 101699037 NLZQAQLBKPPACK-BGYRXZFFSA-N 431.540 2.947 0 40 IFAB COC(=O)c1cc(NC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)cc(C(=O)OC)c1 102970616 SEDFPJCUEPGHRU-XIOXLVNTSA-N 428.485 2.673 0 40 IFAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113966082 QZFUZISJMBHEAX-UHFFFAOYSA-N 426.441 2.936 0 40 IFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)cc1OC 206798594 FNRWTJXBJSOULF-IEBWSBKVSA-N 431.460 2.997 0 40 IFAB Cc1cc(OCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c3c(c(=O)oc2c1)CCC3 208179951 AGEMYBPIPGXGLB-DLBZAZTESA-N 446.503 2.777 0 40 IFAB COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc(OC)c1OC 219285994 PJHGUQNGTCSGGX-UHFFFAOYSA-N 428.894 2.667 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)CC1 219973734 KNGQCNIVCAYFRG-UHFFFAOYSA-N 441.597 2.718 0 40 IFAB CCOc1cccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 222622246 JOWZBMXMQPAJEJ-UHFFFAOYSA-N 446.569 2.716 0 40 IFAB COC(=O)c1cc2cc(NS(=O)(=O)c3ccc(OCC(=O)N(C)C)cc3)ccc2s1 223308132 YGNATQPITWUGQY-UHFFFAOYSA-N 448.522 2.956 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225079760 FHURRZREJHWGTM-AWEZNQCLSA-N 429.498 2.669 0 40 IFAB COc1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1N1C(=O)CCC1=O 225558641 LQIAZMRMLXWUOI-UHFFFAOYSA-N 436.917 2.913 0 40 IFAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 226079550 MSZYQPPYVOHVER-UHFFFAOYSA-N 448.541 2.776 0 40 IFAB Cc1nonc1CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 257248292 JCZJFZJTNLKGHW-JOCHJYFZSA-N 439.516 2.989 0 40 IFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 306131161 JXXSZYZOVRJIED-HZPDHXFCSA-N 435.459 2.703 0 40 IFAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4cc(C)cc(C)c4)C2)C3)cc1 306134372 NLEALKNZVSVUSB-SANMLTNESA-N 446.551 2.527 0 40 IFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390829412 DZNSNAQZYXDXMY-VLIAUNLRSA-N 435.473 2.710 0 40 IFAB Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c(C)c1 408622154 MQJBHXYXYOLVTQ-UHFFFAOYSA-N 432.542 2.959 0 40 IFAB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccc(F)cc1 409393892 YWPRVGJDCWIFHH-UHFFFAOYSA-N 440.504 2.744 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 502068954 CUYZPPIOAPSUPR-NRFANRHFSA-N 449.551 2.727 0 40 IFAB O=C(c1cncc(Br)c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775986095 UWEWALXRJDYCOM-UHFFFAOYSA-N 431.334 2.832 0 40 IFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c(OC)c1 2469145 JVMBOQCCKRLMMZ-UHFFFAOYSA-N 449.348 2.787 0 40 IFAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 4039517 MDKRNBZAPXYPON-UHFFFAOYSA-N 431.496 2.690 0 40 IFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)cn1 8706998 DBWUVBDXEWKXDX-UHFFFAOYSA-N 441.465 2.550 0 40 IFAB O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc2c(c1)OCO2 9037508 NGBSVAMPOFQUDT-GFCCVEGCSA-N 442.415 2.766 0 40 IFAB Cc1nc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)sc1C 9302446 DQUNPHLYUFCWKT-UHFFFAOYSA-N 434.522 2.940 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 9529576 CQZGPLFXVIBKNX-UHFFFAOYSA-N 444.488 2.929 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc(C=O)cc1)n2CCC(C)C 9586904 IBIDEYRHSSGLIN-UHFFFAOYSA-N 440.500 2.902 0 40 IFAB O=C(CSc1ncc(CO)n1Cc1ccc2c(c1)OCO2)NCCc1ccccc1 9650418 KTTTWGUBMXGSLM-UHFFFAOYSA-N 425.510 2.603 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2cnnn2)cc1 9728307 NZOMWKMMVJYBNV-UHFFFAOYSA-N 438.488 2.549 0 40 IFAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 9793383 PDKAGIHHEKMLNV-DEOSSOPVSA-N 428.448 2.592 0 40 IFAB CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)CC1 12160652 LKKTWPPIHMYLJO-HNNXBMFYSA-N 445.545 2.869 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 12763544 CXNVEUFVUIBBAL-ZWKOTPCHSA-N 433.549 2.788 0 40 IFAB Cc1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc(S(=O)(=O)N(C)C)c1C 12766307 ACFSIKDZOVTBAK-UHFFFAOYSA-N 426.542 2.729 0 40 IFAB Cc1nn(CC(=O)c2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12769136 UACKJFXALBIYDS-UHFFFAOYSA-N 431.470 2.525 0 40 IFAB COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c(C)nc2c1 12866990 POHPVQDVIFELCH-UHFFFAOYSA-N 425.510 2.699 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12881409 DDPUUJZEVWKGHM-KRWDZBQOSA-N 443.569 2.517 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12928583 CLJGYYGTLVMDEZ-KRWDZBQOSA-N 425.554 2.985 0 40 IFAB CCCCn1nc(C)c(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1Cl 13113434 HBLGATUDLPLVDI-UHFFFAOYSA-N 440.997 2.956 0 40 IFAB Cc1ccc(-c2nc(C(N)=O)c3c(n2)n(C(C)C)c(=O)n3CC(=O)c2ccccc2F)o1 13227431 RHUHUQHQSMCRIL-UHFFFAOYSA-N 437.431 2.863 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccc(C)cc1)S(C)(=O)=O 13686195 FCFUNZQJBSGXGU-FQEVSTJZSA-N 447.557 2.555 0 40 IFAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1ccc(OCC)cc1 14163483 IYITZMAEAIZNQR-QGZVFWFLSA-N 432.502 2.794 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 16047567 HGSMFGXFEJTWRV-UHFFFAOYSA-N 430.468 2.796 0 40 IFAB COc1ccc(CN(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2cccnc2)cc1 16953719 KZIGYDQFUGLLKY-UHFFFAOYSA-N 437.521 2.870 0 40 IFAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18101829 HOZLIFOBQUNCMT-YHUYYLMFSA-N 430.302 2.778 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c(=O)n1C 19131621 PGTIEWNHPQAOON-SFHVURJKSA-N 432.528 2.632 0 40 IFAB COc1ccc(CC(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1OC 19288976 PHWKHXHYGQZIEG-UHFFFAOYSA-N 449.555 2.823 0 40 IFAB CNc1nc([C@@H]2CCCN(CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1CNCC2 19710473 LSPCYEBZLBWHDF-HXUWFJFHSA-N 436.604 2.781 0 40 IFAB CC(=O)CSc1nnc(-c2nnn(Cc3ccc(Cl)cc3)c2N)n1C[C@H]1CCCO1 19897432 LTFDVCTWYXQHIV-OAHLLOKOSA-N 447.952 2.681 0 40 IFAB CC(C)CN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 21612931 CGFUZSIYPWXSPL-INIZCTEOSA-N 445.965 2.712 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)c1 22229939 FLLBHPVQDRYTKQ-KRWDZBQOSA-N 434.514 2.813 0 40 IFAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O)c1ccc2c(c1)CCCC2 22407407 NYHOGVJJDNXZDT-AWEZNQCLSA-N 427.574 2.879 0 40 IFAB C[C@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O 23151357 NTFHNBOUTLDQLW-XOBRGWDASA-N 443.525 2.767 0 40 IFAB Cc1cc(C)cc(OCCN(C)C(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c1 24390532 GJQFSUBBBPVGJF-UHFFFAOYSA-N 429.542 2.660 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 24845945 QJALQJIEIUVYQG-HNNXBMFYSA-N 441.490 2.864 0 40 IFAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1S(=O)(=O)N(C)C 25029415 UWZWKJWDJYMKCS-UHFFFAOYSA-N 443.529 2.665 0 40 IFAB CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Br)cc1Cl 26819138 ALWVEZNXUOYVPO-LLVKDONJSA-N 428.757 2.772 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(O)n1 32836349 DBGCUMNJVKHFDX-UHFFFAOYSA-N 426.454 2.755 0 40 IFAB CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ncccc2c1=O 32893372 HFEUDUYQOIGHSL-UHFFFAOYSA-N 426.498 2.950 0 40 IFAB Cn1c(CCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)nc2ccccc2c1=O 39996323 RUXGHYMFOXKANL-UHFFFAOYSA-N 431.395 2.649 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)cnc32)c1 40478133 QZJYXOHDTFAFPZ-UHFFFAOYSA-N 432.484 2.609 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 44939297 ODPZSSNEKLRSAM-UHFFFAOYSA-N 440.525 2.977 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 44948878 YCHOEOHLLUVFLX-OAHLLOKOSA-N 436.530 2.526 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 48260313 WESOMYQDKZQNDJ-UHFFFAOYSA-N 439.578 2.510 0 40 IFAB Cc1ccc2c(Nc3ccc(S(C)(=O)=O)cc3)c(C(=O)N3CCOCC3)cnc2n1 49004867 HCCHIXMUHDECOL-UHFFFAOYSA-N 426.498 2.558 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c(OC)c1 51317028 UXVNBZULNMLJIV-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1c(COc2ccc(OC)cc2)nc(C)cc1=O 51319365 IUDKRETUOVEBFA-UHFFFAOYSA-N 437.452 2.565 0 40 IFAB CS(=O)(=O)N1CCc2cc([C@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 72343042 GMDATUMUIGETSO-DHIUTWEWSA-N 448.560 2.555 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)nn2[C@H]2CCS(=O)(=O)C2)cc1 72402968 YAOYOHNSEAHFOY-INIZCTEOSA-N 426.498 2.874 0 40 IFAB CCn1c(S)nc2cc(C(=O)N[C@@H](c3ccccc3OC)c3nccn3C)ccc2c1=O 102200170 DPXQJQSIXHEUDY-IBGZPJMESA-N 449.536 2.967 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccccc1C(C)(C)C)c1ccccc1 223689354 CWAFLRRDIYPYSA-UHFFFAOYSA-N 433.574 2.792 0 40 IFAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@@H](C)C[C@H](C)C[C@H]3C)=C2)cc1OC 245226277 NQGKQBKWXLNWJL-QKDCVEJESA-N 435.546 2.603 0 40 IFAB C[C@H]1C[C@@H](C)C[C@H]([C@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1=O 254044957 BCMABKOQTPATAU-SLGAXEFGSA-N 427.497 2.865 0 40 IFAB Cn1c(CNC(=O)CN2CCNC[C@@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 257207545 BIFWUNCVCCPCPX-LJQANCHMSA-N 431.462 2.855 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)C1 260659292 WFRDCTNJXUYYMX-SJPXOZHESA-N 434.587 2.509 0 40 IFAB COc1ccc(N2C[C@H]3C[C@@]3(C(=O)Nc3ccc(OC4CSC4)cc3)S2(=O)=O)cc1 260826445 APOWCOANOBJNHV-SPLOXXLWSA-N 446.550 2.737 0 40 IFAB CCOc1ccc(N([C@H](CC)C(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260901652 MQYMHGUKABYJHT-RBUKOAKNSA-N 448.541 2.586 0 40 IFAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3cn(CC)c4nc(C)ccc4c3=O)C2)c1F 390829222 XMLQVMJZWBHVIO-CQSZACIVSA-N 425.464 2.510 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 408589307 GXEQFNNICYOPIQ-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409056388 DGLQMPVKAFMBTB-WFZBXURCSA-O 430.484 2.720 0 40 IFAB Cn1c([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 524734837 QWUOJXGRCACRTL-ICSRJNTNSA-N 431.496 2.768 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)cc1F 1775974978 ZYPQBCCFZBKWNJ-UHFFFAOYSA-N 447.410 2.676 0 40 IFAB Cn1nc(-c2cccnc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)Nc2ccc(F)c(F)c2)C1 2332241625 OUCYUMJLXLGICS-JBBXEZCESA-N 428.443 2.974 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1cccc(Cl)c1 2196238 JPIWEYDYKWSXRG-NVXWUHKLSA-N 430.888 2.857 0 40 IFAB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)NCc1ccc3c(c1)OCO3)CCCC2 2652288 ZSMTUZCPDAGCGV-UHFFFAOYSA-N 430.482 2.787 0 40 IFAB Cc1c(C(N)=O)sc(NC(=O)c2nn(C)c(C)c2Br)c1C(=O)OC(C)C 2782424 ATTGYOHFIJUVPU-UHFFFAOYSA-N 443.323 2.777 0 40 IFAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3581314 SRXSBWRFJYZAKW-UHFFFAOYSA-N 430.935 2.934 0 40 IFAB COc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)c4cnccn4)c(=O)n2C3)cc1 4259168 YSBPXMACXPLWKK-ZWKOTPCHSA-N 431.496 2.519 0 40 IFAB biogenic,in-vitro CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1ccc(C)cc1 4571495 YDFBUWZDJQSEFH-JPYJTQIMSA-N 428.533 2.544 0 40 IFAB Cc1cc(O[C@H](C)C(=O)NCCCN2CCCC2=O)c2c3c(c(=O)oc2c1)CCCC3 6660023 HCINKRVEEMPDML-MRXNPFEDSA-N 426.513 2.876 0 40 IFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O 9263036 IPBRFHRVUSGQLF-PKTIUJEHSA-N 433.223 2.595 0 40 IFAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 9376944 SNGFLXQZHNORSG-UHFFFAOYSA-N 445.907 2.992 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(C)c(F)c1 9761903 CVGMWJWMICIYQM-UHFFFAOYSA-N 425.416 2.874 0 40 IFAB Cc1cccc(CC(=O)NCCn2ncc3c(=O)n(Cc4cccc(Cl)c4)cnc32)c1 12071467 UGUVAUASNRCRMR-UHFFFAOYSA-N 435.915 2.962 0 40 IFAB CC(C)CCNC(=O)NC(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 12215815 DYFXRSLIDINFOU-UHFFFAOYSA-N 434.566 2.874 0 40 IFAB CCCC[C@@H](C(=O)c1ccccc1)n1c(Br)nc2c1c(=O)n(C)c(=O)n2C 12419634 HRBSDSMVOCULSW-ZDUSSCGKSA-N 433.306 2.810 0 40 IFAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cn1 12632359 PUZWDDOVBCDPBB-OAHLLOKOSA-N 441.513 2.633 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 12735852 QXUDJIFGSSNWLI-UHFFFAOYSA-N 428.441 2.634 0 40 IFAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 12771507 OTYKCKLWVIWIIV-GOSISDBHSA-N 438.528 2.521 0 40 IFAB CC(C)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 12783116 BQBHOICUVXJXOM-UHFFFAOYSA-N 432.542 2.526 0 40 IFAB Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c(Br)c1 12817869 MLQMQISNZXNKPT-UHFFFAOYSA-N 435.322 2.557 0 40 IFAB CSc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12921157 MGDIKYYIIXUEMB-UHFFFAOYSA-N 445.610 2.842 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 13856712 QNUSAGNLXDJSIA-AWEZNQCLSA-N 435.263 2.913 0 40 IFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 16188329 CUCXZTJIWXGSJD-UHFFFAOYSA-N 428.894 2.625 0 40 IFAB COc1cc(C)c(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1C 17010352 UHXHITMTJMGENP-UHFFFAOYSA-N 431.489 2.653 0 40 IFAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)c2ccccc2)c1 17135593 BDUCRAYANJJSIF-UHFFFAOYSA-N 433.493 2.518 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nnc(O)cc3-c3cc(C)no3)CC2)cc1 19121240 PJGIDQPEEQUGSX-UHFFFAOYSA-N 442.497 2.917 0 40 IFAB CC(C)c1ccc(CN2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 19453260 CIHYLNRTAJBKAB-NRFANRHFSA-N 444.601 2.938 0 40 IFAB COCc1c(C(=O)N2CCC[C@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C2)noc1C 19763203 CASNTQAVZVSULE-KRWDZBQOSA-N 441.532 2.874 0 40 IFAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(O)=N2 20674137 WYAOJYGAEOQBMD-SNVBAGLBSA-N 437.287 2.916 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(Cl)cc3)n2N)c(OC)c1 21576036 SBNXFFCKVWPLIB-UHFFFAOYSA-N 433.921 2.738 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229673 VMIWAXRSUBEZRT-HXUWFJFHSA-N 432.542 2.524 0 40 IFAB Cc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1=O 22725577 WRCDKQYQAGAVCJ-UHFFFAOYSA-N 432.249 2.848 0 40 IFAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O 32109738 PMRUOXWBOVSSJL-WDZFZDKYSA-N 433.223 2.596 0 40 IFAB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 33671640 ZPKGMTPGTKOPNI-GBPOLFSSSA-N 437.883 2.780 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H]1COc2ccccc2O1 40005099 VROPWWVDYFWFSQ-CYBMUJFWSA-N 435.406 2.649 0 40 IFAB COc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)ccc1OC(F)F 40069119 AKGJDSNMLJRBRT-MRXNPFEDSA-N 440.468 2.766 0 40 IFAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ncn(Cc2ccccc2)n1 48312592 AJWPTNSZTVYKLV-DEOSSOPVSA-N 444.495 2.654 0 40 IFAB CCOc1ccc(CNC(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1 71328256 NYWZBHOATNFHPF-UHFFFAOYSA-N 438.576 2.842 0 40 IFAB CC(C)(C)OC(=O)NC(CNC(=O)/C=C/c1ccco1)CNC(=O)/C=C/c1ccco1 72305419 VTOGDWJWDZCBPR-GFULKKFKSA-N 429.473 2.725 0 40 IFAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCCC3)CC1)NC2=O 72327500 DVJJXTPIDLUVOG-VOIUYBSRSA-N 443.544 2.754 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cnccn2)CCO1 72389180 AIHYUXXRTBFUJC-RUZDIDTESA-N 445.523 2.517 0 40 IFAB O=C(COc1coc(CN2CCCCCC2)cc1=O)N1CCN(c2ccc(F)cc2)CC1 72403781 IDEUZNWOMQDUOO-UHFFFAOYSA-N 443.519 2.883 0 40 IFAB COC(=O)c1nc(NC(=O)Cn2cnc3ccccc3c2=O)sc1Cc1ccccc1 72404413 QTCSUCSOKYQKID-UHFFFAOYSA-N 434.477 2.869 0 40 IFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c2c(c1OC)OCO2 85413082 KOGGJXCOXPDSQM-IFXJQAMLSA-N 426.377 2.605 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC/C=C(\C)C(=O)OC)o2)c1 96035788 XACBNCBRUXWOIT-JLHYYAGUSA-N 425.532 2.979 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N([C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 104673154 QGBBBPRGXZCWRC-UKTARXLSSA-N 433.892 2.903 0 40 IFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(OC)c(OC)c1OC 206801742 QQOHZBODTQJWKT-CJNGLKHVSA-N 433.432 2.687 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3C[C@H](C)O[C@H](C)C3)C2=O)cc1 215686680 MEGUYTZYQCPVGH-DVOMOZLQSA-N 436.555 2.623 0 40 IFAB C[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220255138 RRECMJRRGDAVQW-SNVBAGLBSA-N 430.313 2.886 0 40 IFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C1 247797109 CZRQCSFQSMBRPC-IWQHBPENSA-N 433.556 2.888 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1c(C)cccc12 248328311 BQDLWEHAVJYOKK-RIDHCEEYSA-N 429.904 2.802 0 40 IFAB CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@H](Cc2ccc3nccn3c2)C1 257325019 WRCPBWPAMVBQGM-JOCHJYFZSA-N 448.567 2.879 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3cc(Nc4cc(C)n[nH]4)nc(C)n3)C2)CC1 257325188 WRWIIMIVDKFLDM-SFHVURJKSA-N 439.564 2.600 0 40 IFAB O=C(c1ccco1)N1CCN(CC2CC2)[C@H](c2cn3c(N4CCOCC4)cccc3n2)C1 306123348 AKQBJVCISXERAP-FQEVSTJZSA-N 435.528 2.673 0 40 IFAB CN1CCC(n2ncc3c2-c2ccccc2OC32CCN(S(=O)(=O)C3CC3)CC2)CC1 306144053 YUQDUTXDCJSFKJ-UHFFFAOYSA-N 442.585 2.993 0 40 IFAB COc1ccc(CC(=O)N2CCC(n3c(O)nc4ccsc4c3=O)CC2)cc1OC 390827748 JUGYMIQVQQFPDT-UHFFFAOYSA-N 429.498 2.587 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 408971124 MRMXLVNCRXNGQP-UHFFFAOYSA-N 426.469 2.981 0 40 IFAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 575420782 DKZPERMZVNSXEG-SFHVURJKSA-N 436.555 2.528 0 40 IFAB O=C(NCCn1cnc(C2CC2)cc1=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 575606577 HVPWQAGGNOYOKH-FQEVSTJZSA-N 444.539 2.611 0 40 IFAB NC(=O)C[C@H]1CN(C(=O)COc2ccc3c(c2)CCCC3)C[C@H]1OC(=O)c1ccccc1 643587184 YFLVONHCHDMQGV-RBBKRZOGSA-N 436.508 2.504 0 40 IFAB CN1C[C@H](C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c2ccccc2C1=O 683732966 PCGFQQJZISZLRJ-QHCPKHFHSA-N 427.504 2.994 0 40 IFAB O=C(c1cccc2ccccc12)N1CCN2C(=O)OC3(CN(c4ccc(F)cn4)C3)[C@@H]2C1 1549162284 TUFGXYZHLXRYBW-FQEVSTJZSA-N 432.455 2.910 0 40 IFAB CC(C)n1cnc(S(=O)(=O)N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)c1 1775974457 SLNAQHYFHTYCEK-UHFFFAOYSA-N 433.921 2.587 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)c3ccc(Br)cc3)ccc21 1105336 RQIRMZCXYIWQPF-UHFFFAOYSA-N 438.299 2.811 0 40 IFAB CC(C)CNC(=O)c1c(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cnn1C 2727881 SKADRWLVRCUCOG-UHFFFAOYSA-N 441.389 2.976 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21)Nc1cccc(F)c1 2787096 LHBZJKUSTCADTK-HZPDHXFCSA-N 446.236 2.520 0 40 IFAB COc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)sc2c1 3265662 AZIBZDBUNORFDM-UHFFFAOYSA-N 447.538 2.887 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1 3411207 DLOAQYTUCXVVAC-FQEVSTJZSA-N 442.541 2.711 0 40 IFAB aggregator CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)n1 4388534 ANIFVASYGXYBCN-UHFFFAOYSA-N 447.542 2.784 0 40 IFAB CCn1c(CSc2nnnn2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 6147776 VCZYLBAYAAKNQR-UHFFFAOYSA-N 443.558 2.575 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1 8645496 DLNADXIJCPZBKC-RUZDIDTESA-N 444.491 2.947 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCCOc1ccccc1)c1ccccc12 8843692 IYPXFFPMELFPKP-QFIPXVFZSA-N 438.509 2.658 0 40 IFAB O=C(NCc1ccccn1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@]23C=C[C@H]1O3 9061285 PZFATHDPBKJXOJ-NEYJZJCJSA-N 429.398 2.703 0 40 IFAB CCN(C(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3)[C@H]1CCS(=O)(=O)C1 9283798 JLHZYHRJSXRUHR-STQMWFEESA-N 439.628 2.944 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3ccccc3s2)c1 9353539 NLGSYELPWOKPBJ-UHFFFAOYSA-N 446.554 2.636 0 40 IFAB CCOC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 9413486 KQOJWZWCWWVVRQ-UHFFFAOYSA-N 428.441 2.696 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697707 NFXLQIVQOAHQIU-UHFFFAOYSA-N 440.529 2.525 0 40 IFAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCCC[C@H]3c3cccnc3)CC2)Nc2ccccc21 12085890 WXRKTCCSSNTSOU-SQJMNOBHSA-N 447.539 2.700 0 40 IFAB CCCCn1c(N)c(N(CC)C(=O)CSCc2ccc(Cl)s2)c(=O)[nH]c1=O 13005755 CUVPZPAXAYGZHR-UHFFFAOYSA-N 430.983 2.920 0 40 IFAB O=C1CN(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc2N1 13777919 LCUYRCCTDDEXRU-UHFFFAOYSA-N 432.358 2.584 0 40 IFAB O=C(CNC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 15124140 ALVZQNPLLGAXBR-UHFFFAOYSA-N 449.576 2.899 0 40 IFAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 15820340 UBTRXIQGTHISFC-UHFFFAOYSA-N 431.464 2.902 0 40 IFAB CCCCc1cnc2c(c1SCC(=O)Nc1ccccc1OC)c(=O)n(C)c(=O)n2C 15883567 YALJHYBKECOBOI-UHFFFAOYSA-N 442.541 2.714 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)ccc21 18132336 SFLWYQPLGNDUMB-UHFFFAOYSA-N 431.496 2.784 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)n1 19709910 WXIOQNBWBZEFCT-FQEVSTJZSA-N 445.589 2.578 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)CCn4ccnc4C)C3)nc2C)cc1 19766147 UVGZOBDYDJNSDV-GOSISDBHSA-N 448.527 2.957 0 40 IFAB CC(C)Cc1nc2oc3c(N4CCN(CCO)CC4)ncnc3c2c2c1COC(C)(C)C2 20519385 VHJNGZPFUXRZAL-UHFFFAOYSA-N 439.560 2.935 0 40 IFAB COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(C[C@H]2CCCO2)CN3)cc1OC 20567593 PPCAGCKXXGXXAK-OAHLLOKOSA-N 432.546 2.530 0 40 IFAB COc1cc(C(=O)NC[C@@H]2CCCO2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253325 HUIBQUUTEBYENS-KRWDZBQOSA-N 448.541 2.579 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 23681097 QXDGBTLUKVWMQR-XLIONFOSSA-N 437.587 2.562 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cnccn2)CC1)OCc1ccccc1 25344106 WNPPALQIKNRNKC-JOCHJYFZSA-N 445.523 2.663 0 40 IFAB CCOc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)O[C@H](C)C2 26886782 UUCSORVWWLIKLZ-CQSZACIVSA-N 447.509 2.982 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 29765304 INHUYOYEWYQQIA-KRWDZBQOSA-N 446.525 2.911 0 40 IFAB Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cnn1-c1ccc(C(F)(F)F)cn1 30570436 AELJAUNYCIDSER-UHFFFAOYSA-N 445.449 2.994 0 40 IFAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 31790971 OYQPJYCFSZEKAT-UHFFFAOYSA-N 427.848 2.763 0 40 IFAB Cc1ccc(NC(=O)Cn2c(CN3CCOCC3)nc3sc(C)c(C)c3c2=O)cc1 32747284 RYRBXKNESZQFEF-UHFFFAOYSA-N 426.542 2.854 0 40 IFAB C#CCOc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC 35059890 PURSSMWPRRQTAK-DHDCSXOGSA-N 444.827 2.833 0 40 IFAB O=C(c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@](O)(Cl)C[C@@]1(O)C(=O)c1ccc(Cl)cc1 44563596 RVWBDHDMEWROTH-AITUJVMLSA-N 445.682 2.825 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)O2 44918677 WYYMNJWYMOBYBX-OXQOHEQNSA-N 430.526 2.941 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 58305110 FLFBYGKGRXYZJP-LLGFUMIMSA-N 449.571 2.504 0 40 IFAB O=C(CCc1nc(-c2ccncc2)no1)NCCCCN1CCN(c2ccccc2)CC1 59580131 PMCASFJGLGPLSX-UHFFFAOYSA-N 434.544 2.783 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 63376215 UZTJEDVSAVRYMP-ROUUACIJSA-N 438.908 2.502 0 40 IFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1cccc(Br)c1 67286192 FATRTIHZBNQUKD-MRXNPFEDSA-N 440.363 2.669 0 40 IFAB CN(C)C(=O)[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@]12COc1ccccc1C(=O)N2 72334328 RCTWNRHDBLJLAZ-XMSQKQJNSA-N 447.457 2.787 0 40 IFAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 72346139 UOSONYQJNLBECU-ZDUSSCGKSA-N 444.417 2.848 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(c2nc(-c3ccsc3)no2)C1 77099597 MZIQGHSRTXOBPX-UHFFFAOYSA-N 444.538 2.822 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cnn(C)c1 80330330 YFHATYJNGGKDJI-GFCCVEGCSA-N 425.320 2.586 0 40 IFAB CS(=O)(=O)c1nc(C(=O)O[C@H](CSc2ncn[nH]2)c2ccccc2)c2ccccn12 89493026 RNWXJVHSRGIUKS-OAHLLOKOSA-N 443.510 2.546 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)O)ccc2OC(C)C)n(C)c1 95424480 NIEJHCFNBQRCER-UHFFFAOYSA-N 437.518 2.793 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 95457945 HWSGFJILDTUHAT-ZWKOTPCHSA-N 427.520 2.820 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 219015046 LWARNFWXONBEQZ-UHFFFAOYSA-N 448.932 2.978 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1nnc(SC(C)C)s1)c1ccc2c(c1)OCO2 223628785 AQYKGEKYSGOKHB-UHFFFAOYSA-N 444.560 2.562 0 40 IFAB COc1ccccc1CN(C)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 224599409 VTWVXOQEOTYVGT-UHFFFAOYSA-N 432.527 2.928 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 225009369 XBHOFIRNQUWISR-UHFFFAOYSA-N 447.557 2.715 0 40 IFAB Cc1ccc(CN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@H](C)C(=O)NC(C)C)cc1 225530250 KMMJRIMHTYHGJU-NRSPTQNISA-N 439.556 2.578 0 40 IFAB C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccco3)n2)C1 225911936 WAXRIAUSESJVOK-HOTGVXAUSA-N 430.578 2.875 0 40 IFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C1 247797107 CZRQCSFQSMBRPC-IPMKNSEASA-N 433.556 2.888 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 260893036 GGHOTIGNRPTGKW-SFHVURJKSA-N 429.542 2.736 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260903590 PMJBOHVPXLVSNJ-QUCCMNQESA-N 439.597 2.997 0 40 IFAB COC(=O)[C@H](NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)c1cccc(C(F)(F)F)c1 1583819575 NTCDYBDCOBECCH-OKZBNKHCSA-N 438.450 2.505 0 40 IFAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)N2CCOCC2)cc1OC 1994393 SGWLQCZFBYKLGI-UHFFFAOYSA-N 425.437 2.715 0 40 IFAB Cc1cc2cc(CN(C[C@H]3CCCO3)C(=S)NCCCN(C)C)c(=O)[nH]c2cc1C 4133011 KSVPKEMSGGQVBJ-HXUWFJFHSA-N 430.618 2.952 0 40 IFAB Cc1cc(C)c(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2)c(C)c1 6057246 PTVHECCMJPHVBX-INIZCTEOSA-N 437.518 2.566 0 40 IFAB in-vitro COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC 9305151 FSLYCGJVTDOZBD-UHFFFAOYSA-N 439.512 2.627 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 9355953 LRHOREJRTCMJCN-UWHHFBIGSA-N 447.443 2.619 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 9464331 MMOFKARGGLXBJW-UHFFFAOYSA-N 448.508 2.804 0 40 IFAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 9660581 SLHKUARILGDUNX-UHFFFAOYSA-N 430.464 2.562 0 40 IFAB O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9742915 LIMUNRCGPZQZBD-UHFFFAOYSA-N 445.610 2.663 0 40 IFAB CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(F)cc5)CC4)ncnc32)cc1 9851362 CNWAACFJIFSTDS-UHFFFAOYSA-N 447.474 2.711 0 40 IFAB Cc1nn(CC(=O)N[C@H]2CCCC[C@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 11103385 CKPWFFITMGECEM-BEFAXECRSA-N 430.574 2.946 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCOc2ccc3ccccc3c2)c1 11717875 OGGFNFKBDRQOGX-UHFFFAOYSA-N 440.521 2.906 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1Cl 11904654 PMDOONGUDGSSTF-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 12378223 LOWZQHICLLYGSB-INIZCTEOSA-N 441.509 2.776 0 40 IFAB O=C(NCCc1cn2ccccc2n1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 12559945 XNIJNIZBHBBGEK-QFIPXVFZSA-N 438.487 2.901 0 40 IFAB COc1ccccc1CNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12865248 CDBRAQGRBQMVMA-MQNRADLISA-N 446.507 2.917 0 40 IFAB biogenic CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 12909501 NMCGNGZWNLSGNH-UHFFFAOYSA-N 448.416 2.995 0 40 IFAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12993530 NUZQTSOXOJKBHE-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 13004195 AAJSFKZIPJPULW-WOJBJXKFSA-N 442.537 2.805 0 40 IFAB C[C@@]1(C(=O)N(CC(=O)NCc2cccs2)c2ccccc2)CC(=O)N=C2C=CC=CN21 13082986 DUYOTJBEKMMIEB-QHCPKHFHSA-N 434.521 2.871 0 40 IFAB COc1ccccc1-c1nnc2ccc(OCCNC(=O)c3c(F)cccc3F)nn12 13525686 LVRQOFLKOJEFQG-UHFFFAOYSA-N 425.395 2.887 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cc1 13580976 WTLZEUDIRZHIEW-UHFFFAOYSA-N 431.283 2.856 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 13672805 QGCOLKSJDYWUOK-UHFFFAOYSA-N 448.516 2.741 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 14375034 XXAVXDKXDFVHRR-UHFFFAOYSA-N 441.509 2.964 0 40 IFAB Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1)=NN=C(c1ccc(Br)cc1)C2 15085084 FKSGCBZFVREHCR-UHFFFAOYSA-N 437.297 2.644 0 40 IFAB CCOC(=O)c1c(NC(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)sc(C)c1C 15673659 GXSVXIYVJBLOQF-UHFFFAOYSA-N 437.499 2.637 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19333343 GIHMIPLQPVBODL-FQEVSTJZSA-N 438.503 2.500 0 40 IFAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2c(C)n[nH]c2C)ncc1C(=O)N1CCCCC1 19765686 CEQIBLRYEGSACB-GOSISDBHSA-N 446.577 2.667 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1cc(F)ccc1F 20023186 HUDJVOMNDPGMLJ-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(CN3CCC(C(=O)N4CCCCCC4)CC3)C2=O)c1 23674939 WJYWGVCFODVQCM-XMMPIXPASA-N 442.560 2.534 0 40 IFAB COC(=O)c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)cc1 28467090 IBMSVYIXYROWOT-YZVOILCLSA-N 438.427 2.742 0 40 IFAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 29232425 FOBFNGBAIHDYSH-RTWAWAEBSA-N 438.528 2.530 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 32911200 BQPRLDILVQGJLY-NRFANRHFSA-N 429.860 2.825 0 40 IFAB O=C(Nc1ccc(F)cc1)NC1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 32927734 ZNTUZTKQLBRGFA-UHFFFAOYSA-N 445.472 2.907 0 40 IFAB CCn1nc(C)c(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)c1C 36614571 CETWQOIPCUXTTL-UHFFFAOYSA-N 441.395 2.789 0 40 IFAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)C(=O)Nc1ccccc1Cl 43941737 FUYKNMACMZLKKM-UHFFFAOYSA-N 429.904 2.712 0 40 IFAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44853009 UQLRTJJNYVHYFN-AUUYWEPGSA-N 438.933 2.759 0 40 IFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)c1 57490168 HIZXJYVDKBQJCW-UHFFFAOYSA-N 435.461 2.890 0 40 IFAB O=C(CCN1CCOCC1)Nc1cc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)ccc1F 58289450 YLVZGYXXFAYKBI-LJQANCHMSA-N 447.555 2.579 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 59485808 KLOXZHXCWFWBAU-KKPNIWNPSA-N 443.503 2.937 0 40 IFAB biogenic CCN(C(=O)CN1CCCN(Cc2ccccc2)c2ccccc21)[C@H]1CCS(=O)(=O)C1 72308373 OSYGPFIVUSLWEA-NRFANRHFSA-N 441.597 2.939 0 40 IFAB O=C(c1ccco1)N1C[C@H]2CCc3c(nc(N4CCCC4)n(C(=O)c4ccco4)c3=O)[C@H]2C1 72337496 MLMJAENBTCUPIS-WBVHZDCISA-N 448.479 2.520 0 40 IFAB COc1ccc(CN2CCc3nc(N4CCCCCC4)[nH]c(=O)c3C2)cc1Cn1cccn1 72347485 JMOLOAODNSRYHK-UHFFFAOYSA-N 448.571 2.962 0 40 IFAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(CNC(C)=O)cc1 95377710 BODLNMCFCIKRNB-FQEVSTJZSA-N 440.496 2.643 0 40 IFAB COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 95456451 LDBZECHJLWZJSG-NRFANRHFSA-N 443.569 2.584 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(Cl)c(F)c3)C2)cc1 95946329 QIDQMKNUXUFJDF-QGZVFWFLSA-N 445.925 2.961 0 40 IFAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4ccccc4)CC3)CC[C@@]2(C(=O)NCC(C)C)C1 96143774 VFYMZGPWHQCQOD-SQJMNOBHSA-N 425.573 2.940 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc4c(c3)CCN4C)n(C)n2)c1 96362529 WIGDHXAZQPHXGH-JOCHJYFZSA-N 436.512 2.560 0 40 IFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)OCC)cc2)cc1 222723049 RQIQDQLLMQWCJK-UHFFFAOYSA-N 448.541 2.888 0 40 IFAB CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1C 223236949 IXJUVNPHAQUCID-UHFFFAOYSA-N 434.514 2.676 0 40 IFAB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 223612446 LWYLONIZHFETBN-UHFFFAOYSA-N 449.554 2.916 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 224477459 NHIZASZYGWYZKF-KRWDZBQOSA-N 429.325 2.879 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 225426467 BBIODIFUMHDCGB-UHFFFAOYSA-N 434.905 2.913 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCc2cccnc2)s1)c1ccc(Cl)cc1Cl 225455895 QUEDWTFPSOFSKA-UHFFFAOYSA-N 444.325 2.971 0 40 IFAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1NS(C)(=O)=O 225471810 MSQUSSNTQDARPE-RBUKOAKNSA-N 443.554 2.967 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN(C)c3ccccc3)s2)cc1 225709149 FFRKLJYNFTZIPG-UHFFFAOYSA-N 445.570 2.904 0 40 IFAB COc1ccccc1CCC(=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225762502 NIJITAHSBGVXQF-UHFFFAOYSA-N 425.460 2.634 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257318964 VQCQRAJPTZMKHL-HXUWFJFHSA-N 432.524 2.798 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1cccc3ccccc13)O2 260919980 FBVDDYBOAMNYJL-JOCHJYFZSA-N 440.521 2.870 0 40 IFAB CN1C(=O)C(=C(Nc2ccccc2)SCC(=O)Nc2ccc(F)cc2)C(=O)N(C)C1=O 409377109 DQIPVIFARJNURE-UHFFFAOYSA-N 442.472 2.872 0 40 IFAB O=C(CNC(=O)N1CCc2ccccc2C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 553510803 NPGQHWIYLRJUKG-AREMUKBSSA-N 432.568 2.879 0 40 IFAB CCc1c(NCC(=O)NC2CCN(C(C)=O)CC2)cnn1-c1ccc(C(F)(F)F)cc1 582281377 SQUDTUCPHIOUMD-UHFFFAOYSA-N 437.466 2.993 0 40 IFAB CCc1nnc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3ccnn3C)n2)s1 585292786 SHEOVCFLFUFGOP-FDMDGMSGSA-N 438.561 3.443 0 40 IFAB COc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1OCC(=O)N1CCOCC1 3363999 UFJOEAHARPZOKH-UHFFFAOYSA-N 431.514 2.520 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CCCCCCC2)c1 3405603 IFAZBMKKLIHRIQ-UHFFFAOYSA-N 430.954 2.976 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3426683 FBJWUADHRXBRTF-UHFFFAOYSA-N 430.404 2.751 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 4547079 QZHIYGGERXDICJ-PYZOSGAUSA-N 426.557 3.000 0 40 IFAB CC(C)[C@@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 5062882 ZAPMIDFJTRZCNZ-VQTJNVASSA-N 443.569 2.841 0 40 IFAB CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6500950 VQHTXHNABTYCEO-AWEZNQCLSA-N 431.562 2.550 0 40 IFAB CCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CC(C)C)c(=O)n(C)c1=O 9022740 XTISCKQATFMROJ-UHFFFAOYSA-N 429.546 2.520 0 40 IFAB COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1OC 9440599 WRKPCZYOVJRVPN-UHFFFAOYSA-N 428.514 2.916 0 40 IFAB CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 9477213 MSXRRUJUIMRKPG-UHFFFAOYSA-N 427.954 2.712 0 40 IFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1nnc2ccccn12 9578602 ZZCFSCJWPIEGHK-INIZCTEOSA-N 447.520 2.972 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccn2C)c1 9630856 FWFSERZKKZDVNJ-UHFFFAOYSA-N 427.910 2.505 0 40 IFAB CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1 9703132 BIZLBIPQMLZSTN-UHFFFAOYSA-N 434.518 2.816 0 40 IFAB O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCCCC1 9714155 BMUAUFIDYGUNBU-UHFFFAOYSA-N 435.528 2.536 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC(=O)OC)cc1 9722589 WPBFGKMWFHXKMH-UHFFFAOYSA-N 439.515 2.527 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 9822341 LQLJJQDRLGYXQX-NRFANRHFSA-N 443.569 2.910 0 40 IFAB Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 9841972 UWPAOIRWKPUCOY-LBPRGKRZSA-N 438.527 2.546 0 40 IFAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)N1CCCc2ccccc21 10255328 CYJQKBXXNGFWHT-KRWDZBQOSA-N 425.554 2.983 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)c1C 11031689 GNKDTALZWWVHRB-UHFFFAOYSA-N 429.498 2.625 0 40 IFAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 11998557 OVOXTPHEEWZGMX-LJQANCHMSA-N 439.537 2.891 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc2O1 12549777 WXZKFZYJZLRXEY-DNVCBOLYSA-N 436.537 2.755 0 40 IFAB CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)N1 12892344 ORSQOPFGRYPMEL-ASSNKEHSSA-N 432.480 2.735 0 40 IFAB biogenic O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@H]2CCCC[C@H]2C1 13109550 RUXZJOVKTLIGTK-KGLIPLIRSA-N 426.344 2.878 0 40 IFAB CC(C)c1ccc(OCc2nnc(SCC(=O)NC(=O)NC3CCCC3)n2N)cc1 13112835 WKBFSRSFMZTWSZ-UHFFFAOYSA-N 432.550 2.555 0 40 IFAB COc1ccc(NC2=NC(=O)[C@H](CC(=O)NCCc3ccc(OC)c(OC)c3)S2)cc1 13144238 PJWJEGYONSFCBF-IBGZPJMESA-N 443.525 2.871 0 40 IFAB COc1ccccc1OCc1nc2c3c(C)c(C)n(CCN4CCOCC4)c3ncn2n1 13593152 IUUIYEFUEAGPKJ-UHFFFAOYSA-N 436.516 2.616 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=S)NC[C@@H]2CCCO2)c1 13683209 GHTLPBSJOGABNP-ZDUSSCGKSA-N 437.543 2.667 0 40 IFAB Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCCN3S(C)(=O)=O)nc12 13793621 DOZKVQZRQVYHML-HZPDHXFCSA-N 437.587 2.931 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 13992241 SVXXPRZBLDRUMW-GOSISDBHSA-N 431.492 2.942 0 40 IFAB Cc1cc(O)nc(-n2nc(C)cc2NC(=O)c2ccccc2I)n1 15881329 DLCITWZZFQUAFV-UHFFFAOYSA-N 435.225 2.842 0 40 IFAB CSCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1nc2ccccc2[nH]1 16677993 XWXWHEGKARXNJD-INIZCTEOSA-N 429.546 2.728 0 40 IFAB O=C1O[C@@H](C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)Cc2ccccc21 19375164 UUBMPGMLLPAOJU-MRXNPFEDSA-N 445.401 2.631 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2ccccn2)CCO1 19529287 UTMSQEMNNIVTAR-VWLOTQADSA-N 430.508 2.734 0 40 IFAB CN1CCC(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 19588186 ZRKTYNFNTXRVGZ-GOTSBHOMSA-N 448.615 2.503 0 40 IFAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)n1 19693192 HOPOIHHNLMVNOR-MRXNPFEDSA-N 438.507 2.867 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)c1c(C(C)C)noc1C)CC2 19710459 FGPMUWLSXWTGED-INIZCTEOSA-N 440.548 2.863 0 40 IFAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)N1CCc2ccccc2C1 19852534 PXONEPNGCRBHKC-UHFFFAOYSA-N 449.580 2.777 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 20244885 BTUMDIXPHOFWTF-UHFFFAOYSA-N 446.573 2.695 0 40 IFAB COc1cccc(C(=O)Nc2nnc(SCc3cc(=O)n4nc(C)sc4n3)s2)c1 20983495 JYSLITJLJUWMKV-UHFFFAOYSA-N 446.539 2.864 0 40 IFAB CCOC(=O)c1c(NC(=O)C[C@H](NC(C)=O)c2cccs2)sc(C(=O)NC)c1C 21487773 SKBKXARROQFKJV-LBPRGKRZSA-N 437.543 2.860 0 40 IFAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 22376331 YUTMJEAJZSJRLG-INIZCTEOSA-N 427.482 2.583 0 40 IFAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)nn1C 22768211 IPZHMSHQKTUTFX-UHFFFAOYSA-N 435.500 2.986 0 40 IFAB COC(=O)Nc1ccc(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 23098325 PWAASNFHQQIONI-LJQANCHMSA-N 443.500 2.685 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccc3c(c2)OCCCO3)C1=O 25139828 JFWJMNWOMYBANG-QFIPXVFZSA-N 441.509 2.829 0 40 IFAB O=C(C1CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 25167943 QOJHKTOEGNVUOV-UHFFFAOYSA-N 440.871 2.618 0 40 IFAB CCOc1ccccc1Nc1nnc(SCc2ccc(OC)c(OC)c2)n(N)c1=O 28536012 WCVJAEGHQYEVKQ-UHFFFAOYSA-N 429.502 2.804 0 40 IFAB CCCCn1c(-c2ccc(-n3cncn3)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 28901477 RYSOASGXJYJCFE-UHFFFAOYSA-N 441.495 2.982 0 40 IFAB O=C(NCc1ccc(Cn2cncn2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 32868936 SQNFJDDKZKQRBC-UHFFFAOYSA-N 436.475 2.956 0 40 IFAB CCCn1c(=O)n(C)c(=O)c2c(SCC[S@](=O)c3ccccc3)nc(C(C)C)nc21 32931572 RGVJUXYAGUYORR-SSEXGKCCSA-N 446.598 2.924 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)Cc1noc3ccccc13)CSC2)NCc1ccco1 35596863 RUDDUKGBWHGQED-UHFFFAOYSA-N 437.481 2.862 0 40 IFAB Cc1ccccc1Cn1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3F)cnc21 40477204 ILDPEOZNDQKBGC-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB CCOC(=O)N1CCC(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 40930125 YLCBLZLDVIMRJK-UHFFFAOYSA-N 441.532 2.686 0 40 IFAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCc3cccnc3N3CCOCC3)c2)n1 48300769 MCWXKQKNVIVRLL-UHFFFAOYSA-N 434.500 2.553 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@@H]1c1ccc(OC)cc1 49605842 ADFFSZVJACTIJC-IRLDBZIGSA-N 429.561 2.712 0 40 IFAB Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@H]5C)nc34)n2)c1 57494876 GYMIGPJOJPGDGB-MRXNPFEDSA-N 432.484 2.922 0 40 IFAB O=C(Nc1cccc(-n2cccn2)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 57863023 HZMAMFZAIYPUBQ-UHFFFAOYSA-N 443.504 2.986 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)c1 61717804 QJUGDSFGADEHPG-QGZVFWFLSA-N 434.452 2.502 0 40 IFAB COc1c(C)cnc(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)c1C 65268037 RSJYQJQFNQBYMA-UHFFFAOYSA-N 443.319 2.719 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288831 MRAFXIBVGSARBY-JOCHJYFZSA-N 435.480 2.506 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)c(OC)c1 71327034 ALYOHBIPFUUWOI-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1O 72340556 LQZALSCMHFZPHP-QFIPXVFZSA-N 426.492 2.677 0 40 IFAB C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 79069353 IECTXGNLHOSSOT-AUUYWEPGSA-N 434.489 2.992 0 40 IFAB CCOCCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 89987014 LNBMKXDQBZXNLL-GOSISDBHSA-N 448.589 2.988 0 40 IFAB CCOc1ccc(CCC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 97001683 KBVJDJRSTZHRRR-UHFFFAOYSA-N 427.520 2.731 0 40 IFAB CSCC[C@@H](NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn12 108514031 FIROJLYMDIRMDX-ZWKOTPCHSA-N 439.589 2.963 0 40 IFAB O=C(O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 165863129 RLRHIKFEDBLDQD-NVNXTCNLSA-N 431.267 2.683 0 40 IFAB Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(N)=O)CC3=O)cc2)ccc1Br 166479736 HDTWPATWTVYTBK-CYBMUJFWSA-N 446.301 2.613 0 40 IFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 206804387 HGIKJZOCAJMUNE-DOTOQJQBSA-N 432.448 2.747 0 40 IFAB COc1ccc2c(c1)[C@H](NC(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2 219670995 WTJNRLYWLAZBIX-QGZVFWFLSA-N 444.509 2.648 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccccc1F)S(C)(=O)=O 220608035 LOHUDORNOHMTOZ-CYBMUJFWSA-N 438.506 2.798 0 40 IFAB CSc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)N1CCOCC1 224323131 UQSMMRRPJREGJR-UHFFFAOYSA-N 438.546 2.541 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCCC2)c1)Cc1ccccc1F 224701217 IDYNLPHMQFQJAL-UHFFFAOYSA-N 447.576 2.890 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 225658903 UBCAXQPWKWJLKY-UHFFFAOYSA-N 434.514 2.694 0 40 IFAB CCOC(=O)[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515091 GZGANBDTTBPFOX-SCTDSRPQSA-N 438.343 2.958 0 40 IFAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1nc(C)ccc1=O 257298541 RMEIPNPFOCHMDP-FMLGWJCWSA-N 448.567 2.553 0 40 IFAB Cc1cc(C(=O)N2CC[C@](O)(CN(C)Cc3ccc(F)cc3)C2)nc(N2CCCCC2)n1 257326394 WXBMLAZOWYIILB-DEOSSOPVSA-N 441.551 2.623 0 40 IFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c(OC)c1 408531087 LZMNIUHZALCZND-UHFFFAOYSA-N 434.514 2.814 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1C 408619032 HQSJUDNVXQOHGU-KRWDZBQOSA-N 449.548 2.548 0 40 IFAB O=C(O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 408880128 FXZNZSMRAURYNK-SXGWCWSVSA-N 430.413 2.964 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2C)cc1 409159514 NCYAORZKLSAQNU-UHFFFAOYSA-N 426.498 2.932 0 40 IFAB CCCCn1c(=O)nc(O)c2c1nc(CN[C@H](C[C@@H]1CCOC1)c1ccccc1)n2C 539335170 XMNMPSRCMURJFF-FUHWJXTLSA-N 425.533 2.893 0 40 IFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 539599088 FBNQXHVKZJTMKT-INIZCTEOSA-N 446.960 2.629 0 40 IFAB CC(=O)N[C@@]12CNCC[C@@H]1[C@@H](c1ccccc1)N(CC1(O)CCN(c3ccccc3)CC1)C2 585262103 RSWMLRKWGMJWBQ-RGSZASNESA-N 448.611 2.559 0 40 IFAB CCN1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@H](NCN[C@H]4N[C@H](C)c4ccccc4)N3)cc2)CC1 604940868 FZKTWZZPPTUYSG-LUNJLAKLSA-N 448.659 2.628 0 40 IFAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)N3CCC(O)CC3)c2C1 643575130 GODZSSAEGXOEFQ-UHFFFAOYSA-N 445.604 2.811 0 40 IFAB Cc1cc(C)nc(N2CCC3(CC[C@@H](CNC(=O)CCN4CCCCC4)OC3)CC2)n1 1614934365 JQXMRRJGRLBYKQ-NRFANRHFSA-N 429.609 2.851 0 40 IFAB CC(=O)NCc1cccc([C@H]2CN(Cc3c(-c4ccccc4)nn(C)c3C)C[C@@H]2C(N)=O)c1 2037834418 BLCSADQBKCUGNO-RPWUZVMVSA-N 445.567 2.733 0 40 IFAB O=C(NC1CCCC1)c1ccc2c(c1)[C@H](C1CCN(C(=O)[C@@H]3CCOC3)CC1)C(=O)N2 2055771617 MRXMGSPTOFXRPA-UTKZUKDTSA-N 425.529 2.670 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3317165 GBLKZGMKEBNUTP-QGZVFWFLSA-N 442.537 2.996 0 40 IFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1 3320162 MBDOOCRNNHASEP-UHFFFAOYSA-N 442.946 2.984 0 40 IFAB Cc1nc(SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c2c(C)c(C)sc2n1 3429165 PLSOPAWTQWKQOO-UHFFFAOYSA-N 429.527 2.545 0 40 IFAB COc1ccc(CN2C(=S)N(c3ccc(Cl)cc3)[C@@H]3[C@H]4C[C@@H](O)[C@H](OC4=O)[C@@H]32)cc1 8253812 ZMKFPCUOHJZKJR-WAPOTWQKSA-N 444.940 2.999 0 40 IFAB biogenic,in-vitro CCOc1cc2c(cc1CNC(=O)CN1C(=O)NC3(CCC(C)CC3)C1=O)O[C@@H](C)C2 8273289 QPSRWHUZSLSUPG-VZSHHBOJSA-N 429.517 2.526 0 40 IFAB Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 8754415 BRVKHTCYQCTKEL-UHFFFAOYSA-N 437.612 2.565 0 40 IFAB C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9110977 YKOKKAPTWNMNSN-SFHVURJKSA-N 429.524 2.796 0 40 IFAB C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 9292577 YAIDYKKCPDWMTE-QGZVFWFLSA-N 447.514 2.783 0 40 IFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 9396677 NNEYIJLAWHTXKL-RDTXWAMCSA-N 431.341 2.649 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 9416457 PEVQDTJYQKCGNH-UHFFFAOYSA-N 436.859 2.833 0 40 IFAB COc1ccc(Cn2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)cc1 9488075 SELSKOYRUVRVAX-UHFFFAOYSA-N 429.480 2.563 0 40 IFAB COc1ccc(C(=O)NCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 9507483 QMRFYXCXHOTMTC-UHFFFAOYSA-N 446.569 2.812 0 40 IFAB CCOC(=O)[C@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1 9578658 SPUOLPJYBXSMBF-INIZCTEOSA-N 443.529 2.539 0 40 IFAB CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCCCC2 9599755 MFBLTNBLYDJYJL-UHFFFAOYSA-N 435.571 2.879 0 40 IFAB COC(=O)c1sc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C(=O)OC)c1C 9646472 OWCXMLHGYUIRJB-UHFFFAOYSA-N 429.454 2.751 0 40 IFAB NC(=O)c1c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc2c1CCC2 9664065 YBXISMHFHPQCBF-LBPRGKRZSA-N 439.584 2.579 0 40 IFAB CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ncccn1 10254912 OPOGOXDXNCYMLS-UHFFFAOYSA-N 426.498 2.977 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)CCNC(=O)c2ccc(Br)cc2)c1C 12767306 CIQKTJPDTUYSHY-UHFFFAOYSA-N 432.318 2.941 0 40 IFAB CC(C)C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)O 12798131 YBUPCVYSXKFKSB-KGLIPLIRSA-N 438.575 2.893 0 40 IFAB Nc1c(N(CCC2=CCCCC2)C(=O)[C@@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 13149888 VSIICFQANDZQAK-IBGZPJMESA-N 438.528 2.570 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 14702085 BBTKHIFJFYFNHU-UHFFFAOYSA-N 443.887 2.565 0 40 IFAB COc1cc(C(=O)NC2CCC(O)CC2)cc(CN2C(=O)c3ccccc3C2=O)c1OC 15616445 QJSLIYWMKFDCNN-UHFFFAOYSA-N 438.480 2.533 0 40 IFAB Cc1nn(C(=O)COc2ccccc2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 15865227 UQWQDXHNKAJDKA-UHFFFAOYSA-N 425.510 2.966 0 40 IFAB COc1cc(CN(C(=O)c2cccc(C)c2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 16751914 XBQVCCLCBKMZRS-SFHVURJKSA-N 433.526 2.850 0 40 IFAB O=C(CSc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12)NCc1ccc(F)cc1 16841871 BPIVRIDVSMVDQV-UHFFFAOYSA-N 427.436 2.771 0 40 IFAB O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)NC(c1ccccc1)c1ccccc1 19369548 ZCVPDDOJONYMIJ-UHFFFAOYSA-N 443.551 2.634 0 40 IFAB CNC(=O)c1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCO2)nc2ccccc12 19762008 GROMNAHDIIDGGF-NRFANRHFSA-N 443.500 2.804 0 40 IFAB COc1ccc(N2C(=O)CN([C@@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 19797491 UUHFXNWBWIZQCG-ZOCIIQOWSA-N 434.945 2.924 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3[nH]c2=O)CC1 22582880 LKNMLMNUMNZSJT-UHFFFAOYSA-N 445.567 2.920 0 40 IFAB CN(CC(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O)c1ncccn1 23199607 WSSBTIURDMFHQV-JOCHJYFZSA-N 444.919 2.606 0 40 IFAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1cc2ccccc2o1 23349184 NBUSLUMLQCVZHW-LBPRGKRZSA-N 425.470 2.739 0 40 IFAB CCn1c(CCC(=O)Nc2cccc3cn[nH]c23)nc2cc(S(=O)(=O)N(C)C)ccc21 25585188 GOAWFKIOHQBBDZ-UHFFFAOYSA-N 440.529 2.754 0 40 IFAB CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 30880270 HBKCNIMWFBSVRR-ONTIZHBOSA-N 435.634 2.887 0 40 IFAB biogenic,in-vitro COc1ccc(-c2nnc(SCC(=O)NCCCc3ccccc3)n2N)c(OC)c1 32719424 NSMKGKQBZDJPSS-UHFFFAOYSA-N 427.530 2.517 0 40 IFAB NS(=O)(=O)Nc1cccc(CNC(=O)COc2ccccc2Cc2ccccc2)c1 32754045 NZUXPFNOJVAOSS-UHFFFAOYSA-N 425.510 2.588 0 40 IFAB C[C@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 32954709 SUDOENBQJKDUGH-NSHDSACASA-N 437.345 2.652 0 40 IFAB O=C(CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 35289256 SPANJUNDTTZARA-UHFFFAOYSA-N 437.496 2.832 0 40 IFAB COc1ccc(OC)c(N2C(=O)C[C@H](N3CCc4c([nH]c5ccc(OC)cc45)C3)C2=O)c1 36369860 WUGRUJALTBGRMC-NRFANRHFSA-N 435.480 2.884 0 40 IFAB biogenic O=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 36695684 GBKMXNGRPVBORX-UHFFFAOYSA-N 427.486 2.949 0 40 IFAB COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@H](C)c2nc(C)no2)cc1OC 58139141 XLXMIGIMGCRBCH-CYBMUJFWSA-N 440.456 2.904 0 40 IFAB C[C@@H]1CN(C(=O)C2CCN(C(=O)/C=C/c3cc(Cl)c4c(c3)OCO4)CC2)C[C@@H](C)O1 58391693 YUPDJHXWGXEDOX-LRPXVYOUSA-N 434.920 2.956 0 40 IFAB Cc1cc(C)cc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 61939580 PIHCZNVLGXNEFB-UHFFFAOYSA-N 429.542 2.733 0 40 IFAB CCCNC(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 71184904 MWZNUUAPJNFBKI-GOSISDBHSA-N 435.952 2.718 0 40 IFAB CC(C)N(CCNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1)C(C)C 71796249 HMGOABNWNKWIRC-UHFFFAOYSA-N 447.388 2.936 0 40 IFAB C[C@@H](C(=O)N1CCCCCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326595 VRYCKLGPGGCEPL-OYHNWAKOSA-N 432.952 2.995 0 40 IFAB COc1ccc(S(=O)(=O)CCC(=O)N2CC(Oc3nc4ccccc4s3)C2)cc1 90594042 RJXFCXMWZSEEAP-UHFFFAOYSA-N 432.523 2.759 0 40 IFAB COc1cc(-c2nc(CC(=O)N[C@@H](CO)CCSC)cs2)cc(OC)c1OC 95471319 DJQBIAKEXODWDD-CYBMUJFWSA-N 426.560 2.609 0 40 IFAB COc1ccc(C(=O)CNC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 95472856 ACUZCNFXUMPPOA-UHFFFAOYSA-N 436.917 2.891 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(CC1CCOCC1)CC2 96036929 IWJMEDKEOMSLBV-UHFFFAOYSA-N 444.601 2.543 0 40 IFAB CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccc(F)c4)cn23)CC1 96156054 MALFLLOWEJFUGE-UHFFFAOYSA-N 437.519 2.855 0 40 IFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1 97020207 VVZPJTJTJAAVPD-KRWDZBQOSA-N 432.542 2.755 0 40 IFAB CCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103432122 JXUBNYDFTNBUGI-RZLSGREXSA-N 436.603 2.737 0 40 IFAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]16CCN(Cc1ccccc1)CC[C@@]56[C@@H]2[C@H]43 104287716 CKKYAHQBURBLEC-GSOTXNSWSA-N 438.531 2.685 0 40 IFAB COc1cc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)c(OC)cc1Cl 220056833 XINIHPFHVLYFNV-UHFFFAOYSA-N 440.905 2.965 0 40 IFAB CCC(=O)Nc1nnc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)s1 223882260 YHLCACDGCMFPMV-UHFFFAOYSA-N 438.959 2.891 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224715501 IPSARXARFIBRMJ-LJQANCHMSA-N 445.585 2.705 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225517635 BGZGYNDVWXNDOS-RTBURBONSA-N 446.569 2.988 0 40 IFAB O=C(NC1CCCC1)c1nnc2n1CC1(CCN(Cc3ccc(F)cc3)CC1)COC2 306132215 LBZNULBBRIEHGE-UHFFFAOYSA-N 427.524 2.902 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)N(CC(=O)O)C3=O)cc2Cl)cc1 408592410 MKAYRDGBTXWKRF-CXUHLZMHSA-N 443.843 2.643 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)c1 408646531 PUJJPICJNCJSRS-UHFFFAOYSA-N 435.498 2.666 0 40 IFAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCC1 408696630 CRTDCUUKCNSOGP-UHFFFAOYSA-N 432.498 2.893 0 40 IFAB Cc1cc(N2C(=O)NC(=O)/C(=C3\C(=O)Nc4ccccc43)C2=O)ccc1Br 408760343 XADRYXBBQQXDQM-CCEZHUSRSA-N 426.226 2.746 0 40 IFAB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1)NC1CC1 408989986 UVTSVZSXMLJKNH-IGWOWPFTSA-N 425.535 2.979 0 40 IFAB O=C(c1ccn(CCC(F)(F)F)n1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 1615610773 NEKIZZNESFANHB-KRWDZBQOSA-N 430.858 2.980 0 40 IFAB CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCCN(CC(=O)N3CCCCC3)C2)C1 2037873368 DQLFPQNBWUJLBJ-DHLKQENFSA-N 427.589 2.919 0 40 IFAB O=C1C[C@@H](CN2C(=O)NC3(CCSCC3)C2=O)CN1Cc1ccc(F)c(Cl)c1 2298049579 BITBGABDAWVVGJ-CYBMUJFWSA-N 425.913 2.645 0 40 IFAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 2135633 ARUQFLPYCTVDIM-UHFFFAOYSA-N 434.326 2.533 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 3240010 JDLTVVQJISNBGP-NSHDSACASA-N 431.242 2.616 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cn1 3392642 HTDMESAPVWOKFP-UHFFFAOYSA-N 437.905 2.705 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 8704042 NXZHYNQCSNSFKP-OAHLLOKOSA-N 448.595 2.841 0 40 IFAB Cc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)[C@@H](c3ccco3)C2)cc1 8966197 RTBKXEJWNHSLHD-LJQANCHMSA-N 448.479 2.999 0 40 IFAB COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c1 9293020 KIQARLQRXJDYNI-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)Nc1ccccc1C(F)(F)F 9412688 FIDWTNGYBYHVLL-UHFFFAOYSA-N 446.364 2.833 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cccnc1SC(F)F 9642930 IYVOMTAZSFWORE-UHFFFAOYSA-N 432.426 2.970 0 40 IFAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O 9762282 PMRUOXWBOVSSJL-IZZDOVSWSA-N 433.223 2.596 0 40 IFAB CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)O 9783284 XCKMXWJBTCMNHY-QGZVFWFLSA-N 428.576 2.576 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1=O 10166419 CKMZUIGOPDXSRN-JTQLQIEISA-N 430.288 2.974 0 40 IFAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 11906216 VYHGJIBACDPNQU-QGZVFWFLSA-N 449.536 2.759 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2N1 12181248 ICRMZAZKCCXVPF-OCVGTWLNSA-N 448.511 2.925 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ncc(C)s1)n2C 12601742 DXZPMQNPOLJDMG-UHFFFAOYSA-N 435.575 2.940 0 40 IFAB COc1ccc(CNC(=O)CN(Cc2ccccc2OC)C(=O)c2csnn2)cc1 12872508 ABHCAMMMFYAZAF-UHFFFAOYSA-N 426.498 2.514 0 40 IFAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cc3ccccc3)c2)CCN1 12897021 WRPYDZPMNRUGPK-UHFFFAOYSA-N 449.532 2.650 0 40 IFAB C[C@@H](Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 12989485 HSCQKJKMPDAPAZ-ZBFHGGJFSA-N 445.545 2.905 0 40 IFAB CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 13031251 RDRMRTQVCWLVPE-UHFFFAOYSA-N 437.949 2.684 0 40 IFAB CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(CO)cc2)c(C(=O)OCC)c1C 13057734 PSCLCUXLYVORIH-UHFFFAOYSA-N 449.481 2.698 0 40 IFAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCC(F)(F)F)c1)C(=O)Nc1ccccc1F 13134283 DZMJDYIGILIFQF-LLVKDONJSA-N 448.394 2.850 0 40 IFAB COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1cccs1 13506551 XDQHPJDQQISKQU-UHFFFAOYSA-N 429.542 2.969 0 40 IFAB O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1 14082985 RUZATDBMKVYMFQ-HXUWFJFHSA-N 433.599 2.808 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 14247763 CSRQNDRBZJHOMK-SFHVURJKSA-N 445.585 2.526 0 40 IFAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16012693 XOGZYNOJUMSNDZ-KGYLXKDPSA-N 439.899 2.930 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)C1=O 16201228 JSVGDHLJJGOYEG-LBPRGKRZSA-N 435.402 2.705 0 40 IFAB CN(C(=O)CN1CCO[C@]2(CC=CCN(Cc3ccccc3)C2=O)C1)C1CCCCC1 19704266 MTRSCBUJXAQLKK-RUZDIDTESA-N 425.573 2.837 0 40 IFAB CNc1cc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)nc(CN(C)C(C)=O)n1 19710101 DRUJUVIRFVAIMZ-UHFFFAOYSA-N 427.524 2.975 0 40 IFAB COc1c(C)cccc1CN1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762217 OSGDBFYMGQJUFP-QHCPKHFHSA-N 435.524 2.847 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20245349 YIMZYNGOBCRNDL-UHFFFAOYSA-N 443.884 2.517 0 40 IFAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)ccc1Cl 20459424 TZTCNTWKNCIRKD-UHFFFAOYSA-N 426.878 2.686 0 40 IFAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 20744309 YNFLDBZIRADRNY-UHFFFAOYSA-N 442.324 2.788 0 40 IFAB O=S1(=O)CC[C@H](Cc2nnc(SCCOc3cccc(Br)c3)o2)C1 21624200 SQUKDVNHCZEELB-LLVKDONJSA-N 433.349 2.980 0 40 IFAB CCc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 22249301 RXVGBTSXXONTLY-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1nc(N)nc(N(C)C)n1 24903996 NJXBUJJYZCPRDL-SWLSCSKDSA-N 444.540 2.950 0 40 IFAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 25895859 ZLPAWRNOEXVHFJ-OAQYLSRUSA-N 444.553 2.828 0 40 IFAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)NCCc1nc2ccccc2s1 29192369 VIDMTEGIAIKAPH-UHFFFAOYSA-N 436.581 2.983 0 40 IFAB COc1ccc(CN2CCCN(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 32860420 PJAWXJYSIYZBMB-UHFFFAOYSA-N 440.569 2.818 0 40 IFAB Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)nc2c1 35655387 KOXPWPSSTRMZDG-UHFFFAOYSA-N 444.499 2.676 0 40 IFAB COc1ccc2oc(C(=O)OCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)c(C)c2c1 39983381 DCIXAERYAYQEIP-UHFFFAOYSA-N 432.379 2.940 0 40 IFAB Cc1noc(C)c1COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 40039638 NPUIZENZSHPLCC-UHFFFAOYSA-N 435.528 2.947 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCCC2)c1 48264442 YKTRSKKUDLTTGA-GHTZIAJQSA-N 430.549 2.696 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCC(O)CC3)cc2c1 57594862 OAOSNDOPNKQHME-HXUWFJFHSA-N 440.548 2.605 0 40 IFAB COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1O 72340555 LQZALSCMHFZPHP-JOCHJYFZSA-N 426.492 2.677 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 77192014 AJNOAIKVQPRDJW-SFHVURJKSA-N 437.525 2.860 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)n1 95478294 HSEWLUJCFXYXOM-UHFFFAOYSA-N 428.514 2.796 0 40 IFAB Cc1cccnc1NC(=O)c1ncn2c1CN(CC(C)C)S(=O)(=O)c1ccccc1-2 96147395 UTZUVISKEXTDBJ-UHFFFAOYSA-N 425.514 2.988 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)Cc4cccc(C)c4)nn3c(O)c2C1 100243005 IVUCZAZBHZPJPJ-QFIPXVFZSA-N 447.539 2.944 0 40 IFAB O=C(CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 102785305 QSSKEPATFKKOCP-HZPDHXFCSA-N 428.876 2.738 0 40 IFAB COc1ccc(NC(=O)CN2C[C@H](C)N(CC(=O)Nc3ccc(OC)cc3)C[C@@H]2C)cc1 106922333 SLASOKKMHYZFOP-ROUUACIJSA-N 440.544 2.676 0 40 IFAB Oc1cccc([C@@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)c1 111999839 ZBAOZNZHUUSBPO-MRXNPFEDSA-N 438.245 2.999 0 40 IFAB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O 210666145 KYDANOWHUZLDRQ-CXUHLZMHSA-N 430.413 2.964 0 40 IFAB CCOc1cccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c1 224784261 CSAXFBUHZFGRRX-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224804077 JGUQBKMQXQLHAM-UONOGXRCSA-N 442.484 2.712 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)CN(Cc3ccc(C)cc3)S(C)(=O)=O)ccc21 225124964 UHPUQJDPFCECER-UHFFFAOYSA-N 433.555 2.792 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 225475299 PGBLLANXBOGXBC-UHFFFAOYSA-N 440.525 2.762 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225752151 LGTQEIRJOFSBMT-UHFFFAOYSA-N 429.542 2.880 0 40 IFAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408656491 SRABZHSMTHGNMF-ZBFHGGJFSA-N 427.453 2.880 0 40 IFAB COc1ccc(OC)c(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 408703784 HCBXKASZSGQGRD-UHFFFAOYSA-N 436.486 2.617 0 40 IFAB O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 552169790 JDGHRIOQTJXHBJ-MRXNPFEDSA-N 439.459 2.710 0 40 IFAB O[C@@]1(COc2ccccc2)CCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 585270344 BTIVWPVYYGJHLI-VWLOTQADSA-N 426.557 2.804 0 40 IFAB CCOc1ccccc1CN1CCCN(C(C)=O)c2ccccc2CN(C(=O)CN)CC1 643555543 AUEKCTIUUVYHJQ-UHFFFAOYSA-N 438.572 2.631 0 40 IFAB Cc1nc(C)c(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)s1 643557602 YIUPYDCOFNSNLM-HSZRJFAPSA-N 443.569 2.893 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2622692 KFAZPCBJZTXCKC-UHFFFAOYSA-N 441.509 2.847 0 40 IFAB COc1cccc(CNC(=O)CCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)c1 2975231 JOSUAWPUTPCPGS-UHFFFAOYSA-N 427.482 2.893 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(OC)cc1 9260390 IHNQCZLQPLTBGY-IBGZPJMESA-N 437.543 2.568 0 40 IFAB CC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n(C)c1 9336688 NWGYKSNJUJFGNB-UHFFFAOYSA-N 431.558 2.608 0 40 IFAB COc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1Cl 9365329 WYKWLTQMPXNEDC-UHFFFAOYSA-N 427.910 2.658 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 9393099 VWBZBTZSFAOCQI-UHFFFAOYSA-N 431.297 2.762 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 9416505 ARQLNHRBHIZYLS-UHFFFAOYSA-N 435.415 2.537 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 9495191 NHKKPDNSCAAPKX-OSPHWJPCSA-N 437.496 2.696 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc(OC)ccc2OC)NC(=O)N[C@@H]1c1ccccc1 9618751 BZNVMOQAOOUIKU-HXUWFJFHSA-N 440.452 2.732 0 40 IFAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O 9678634 QRWYQXWCVBCDRS-UHFFFAOYSA-N 433.530 2.628 0 40 IFAB Cc1cc(=O)c(C(=O)NCCc2ccc3c(c2)OCCO3)nn1-c1ccccc1Cl 9724299 QTBHBHHYMMBMRI-UHFFFAOYSA-N 425.872 2.938 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(SC)c4)[C@H]3C2=O)cc1 9836005 RNLUDMGEZLHVNK-RTBURBONSA-N 439.497 2.739 0 40 IFAB CC(C)CCN(C(=O)c1cn2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9955454 WBTVRIGCAQXMHQ-UHFFFAOYSA-N 446.511 2.508 0 40 IFAB CCOC(=O)N1CCc2nc(NC(=O)CCCS(=O)(=O)c3ccccc3)sc2C1 10694596 ISXZDXCCGJFPBC-UHFFFAOYSA-N 437.543 2.850 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)CC2=O)c(OC)c1 11834825 TZBPECAYRZJJPF-CVEARBPZSA-N 432.517 2.780 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1Cl 11906038 CLDWQCITJGRZJX-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB CCc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2cc3ccsc3n12 12088507 VXHSMYHSXORSPJ-UHFFFAOYSA-N 439.516 2.761 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)c4sc5nc[nH]c(=O)c5c4C)C3)cc2n1 12134602 HKPKOHVUPICELE-LBPRGKRZSA-N 438.513 2.624 0 40 IFAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12750976 ZERFIXKIYOSDPU-UHFFFAOYSA-N 445.516 2.757 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)c1 12761759 OHAQGBZZVGZJPK-UHFFFAOYSA-N 432.571 2.707 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 12792651 DKXRHCFCWMMVDM-UHFFFAOYSA-N 442.541 2.683 0 40 IFAB Cc1cc(/C=C/C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(C)n1C1CC1 12948374 FWQQHQPCBVDSLY-KXOMFBTKSA-N 435.524 2.964 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(F)cc1 13041647 LFVRMVJWRYRQFA-FQEVSTJZSA-N 436.505 2.606 0 40 IFAB Nc1c(N(CCC2=CCCCC2)C(=O)[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 13149889 VSIICFQANDZQAK-LJQANCHMSA-N 438.528 2.570 0 40 IFAB O=C(CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@@H]1CCCc2ccccc21 13234863 YLYQBCBKXCKGBO-RTWAWAEBSA-N 434.496 2.657 0 40 IFAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1ccccc1C 13508862 CTSICORKOBWONU-HSZRJFAPSA-N 437.544 2.872 0 40 IFAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14200571 DAAZYDZNFQCUHP-CABCVRRESA-N 444.586 2.960 0 40 IFAB COc1cc(CNC(=O)CNC(=O)c2cccc(Br)c2)cc(OC)c1OC 15137118 LXWBZEOJLVYOTC-UHFFFAOYSA-N 437.290 2.521 0 40 IFAB CCNC(=O)C[C@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1CCc1ccc(OC)cc1 15321381 WOIVWEREGUALEA-FQEVSTJZSA-N 443.544 2.901 0 40 IFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1N1CCN(C(C)=O)CC1 17095018 NNPMNZQPMOUAKE-UHFFFAOYSA-N 426.542 2.799 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3cnc(N(C)C)nc3)C1)O2 19019612 ZYTHJMACCLXDJV-AUSIDOKSSA-N 439.560 2.573 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)CCc3nc4ccccc4oc3=O)cc2n1 19522272 HMNHAPKYZZPVIE-GOSISDBHSA-N 433.468 2.795 0 40 IFAB COc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3cn(C)nc3C)CCNC2=O)cc1 19583545 UWDHEAZZPIEXAE-FQEVSTJZSA-N 432.524 2.835 0 40 IFAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)Cc2ccccn2)n1 19700966 GIZDHQOMVQKXHI-INIZCTEOSA-N 448.502 2.774 0 40 IFAB CCCN1C[C@H](C(=O)N2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)CC1=O 19708354 QUZRRASKBWGCLG-HXUWFJFHSA-N 426.561 2.672 0 40 IFAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20047737 QHNCERVNOLZXFS-OAHLLOKOSA-N 436.555 2.835 0 40 IFAB COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CCOCC1)CC(C)(C)OC3 20589346 PZDRAIITOMSZDC-UHFFFAOYSA-N 433.530 2.513 0 40 IFAB CC(C)c1nnc2ccc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)nn12 20723768 SSRCOIBJRJHAHJ-UHFFFAOYSA-N 447.587 2.809 0 40 IFAB CNS(=O)(=O)c1cc(-c2cc(C(=O)NCc3ccccc3Cl)n[nH]2)ccc1OC 21806201 ILEOGDANZYONNV-UHFFFAOYSA-N 434.905 2.577 0 40 IFAB COc1ccc(-c2cc3ncn(CC(=O)O[C@@H](C)C(=O)NC(C)C)c(=O)c3s2)cc1 22021604 PUSJGVQFFJGENT-ZDUSSCGKSA-N 429.498 2.590 0 40 IFAB Cc1nc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc4c(c3)OCCCO4)ccc2o1 24013421 IPTRSIKNSIMLHG-LBPRGKRZSA-N 431.470 2.603 0 40 IFAB CCOc1ccc([C@H](CNC(=O)NCc2ccc(OC)cc2)N2CCOCC2)cc1OC 25062923 NFXVGPDTFBTUBN-NRFANRHFSA-N 443.544 2.975 0 40 IFAB Cc1cccc(C)c1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O 30873824 YCKPDZBNTPRJRS-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB O=C(NCCCN1CCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30899849 ZZNOEAHITYXHKT-HXUWFJFHSA-N 427.570 2.656 0 40 IFAB COc1cccc2cc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)c(=O)oc12 32854674 OIYNRMULIXIWGE-UHFFFAOYSA-N 444.509 2.559 0 40 IFAB COC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CCCCC1 32900519 GZOKHACHFHEPRT-CALCHBBNSA-N 436.574 2.959 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 32999792 PKUOHDZNUCGQQU-FQEVSTJZSA-N 449.960 2.968 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(OCC)cc1 33645141 YHDUVLOSLQAAFD-LVSKKATPSA-N 438.505 2.790 0 40 IFAB COc1ccc(C(NC(=O)CN2CCN(c3ncccn3)CC2)c2ccc(OC)cc2)cc1 36450947 QNEKOQWMNYUZGV-UHFFFAOYSA-N 447.539 2.522 0 40 IFAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccc(-n2cccn2)c(F)c1 48236646 MNKFJNHDZOOFLW-UHFFFAOYSA-N 429.477 2.525 0 40 IFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 58162243 JXFKNZZHTVSRAZ-UHFFFAOYSA-N 441.465 2.770 0 40 IFAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccc(OC)c(OC)c3)CC1)O2 72393680 NUINKWSQHRZWHF-UHFFFAOYSA-N 426.469 2.510 0 40 IFAB O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 78820765 VIBHBWAZVMEOGF-CYBMUJFWSA-N 440.378 2.684 0 40 IFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N1C[C@@H](C)Oc2cc(C)c(Br)cc21 79047480 XQRCRYQBVYXMCG-SNVBAGLBSA-N 444.307 2.634 0 40 IFAB COC(=O)C[C@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)c1ccc(OC)cc1OC 95454183 YUNAZDNCUCMOGG-HNNXBMFYSA-N 430.486 2.595 0 40 IFAB CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)CCO1 95473246 KRBCPYPKTBOXHA-DGCLKSJQSA-N 435.322 2.752 0 40 IFAB O=C(NCCCc1nnc2ccccn12)c1ccc(N2CCCCS2(=O)=O)cc1Cl 95476511 RUQKLSUQZHXRQU-UHFFFAOYSA-N 447.948 2.675 0 40 IFAB Cc1ccccc1NC(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 96144750 UDZONUZOTILISU-IBGZPJMESA-N 425.533 2.886 0 40 IFAB CCCNc1c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(=O)oc2ccccc12 101094178 XKIDNFRBKNXTPY-UHFFFAOYSA-N 442.497 2.606 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1OC 107686897 GLGIIHIPSPAXOQ-WMZOPIPTSA-N 432.542 2.982 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1cn2c3c(cc(Br)cc3c1=O)CC2 223101948 BTTWJFJABHWMFL-UHFFFAOYSA-N 427.254 2.979 0 40 IFAB CCCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1 223884082 GGQGXAFBJAEQOX-UHFFFAOYSA-N 442.588 2.622 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2F)CC1 224593867 KYFQNYIQMDFHNZ-NRFANRHFSA-N 449.548 2.728 0 40 IFAB CCCN1CCN(C(=O)c2cc(C)nc(N)n2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257211103 BXNAFKXSUZNZIE-QFIPXVFZSA-N 444.539 2.735 0 40 IFAB CN1C(=O)N(CC(=O)N2CCC[C@H]2c2cccc(-n3ccnc3)n2)C(=O)C12CCCCC2 257308291 TWEWXUSPOJLLRF-SFHVURJKSA-N 436.516 2.528 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1 257308913 TYSDBCQQQVZTEX-OAQYLSRUSA-N 427.505 2.549 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4ccc(C)s4)C[C@@H]2C3)cc1 306131867 KRNXJECEDMGVRM-GJZGRUSLSA-N 437.525 2.853 0 40 IFAB C[C@@]1(c2cccc(C(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)c2)NC(=O)NC1=O 543927357 LYASGRLWKGTVHB-UWJYYQICSA-N 447.413 2.974 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1 1888921692 IJSAXEKPTHHTKH-KRWDZBQOSA-N 427.530 2.584 0 40 IFAB Cc1ccc(OC[C@@]2(O)COCCN(Cc3cccc(OCCn4cccn4)c3)C2)cc1 2037931673 HNVVZXFXDJMUNW-VWLOTQADSA-N 437.540 2.913 0 40 IFAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1OC 804397 XZQWRUGOVITTQV-SFHVURJKSA-N 432.542 2.734 0 40 IFAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3C2=O)n1 2204117 GKXHFPAYSFVCGW-UYRXBGFRSA-N 434.477 2.677 0 40 IFAB Cn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccncc1 3352593 VPXVKCJYBTTWBL-UHFFFAOYSA-N 428.543 2.647 0 40 IFAB COc1ccc(-n2cnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 3365233 DLVGILINRPEKTK-UHFFFAOYSA-N 429.527 2.656 0 40 IFAB C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O 4574700 NLTGCWQJVYQJHP-JXFKEZNVSA-N 441.528 2.691 0 40 IFAB Cc1c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6300139 YSTZMMULHNSBIA-LJQANCHMSA-N 435.528 2.578 0 40 IFAB COc1ccc(-c2nnn(C3CCN(C(=S)NCc4ccco4)CC3)n2)cc1OC 8694569 RECYLRVYEOGFAE-UHFFFAOYSA-N 428.518 2.662 0 40 IFAB COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1OC 8713568 BEDGMYYFWLMCAP-LBPRGKRZSA-N 430.482 2.610 0 40 IFAB COC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 8763019 FDALIFRVHFZOBT-OAHLLOKOSA-N 440.525 2.965 0 40 IFAB Cc1ccc2oc3c(c(=O)c2c1)[C@]1(C(=O)N(C)c2ccccc21)N(C[C@H]1CCCO1)C3=O 8917027 MJJXOFCZCPJQMF-SGANQWHYSA-N 430.460 2.956 0 40 IFAB biogenic O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC(=O)NCCC1=CCCCC1 8942845 AGAIUOYOPBLDFJ-UHFFFAOYSA-N 444.557 2.587 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1cccc(OC)c1 9761796 SWYDKUCXXVXSCV-UHFFFAOYSA-N 437.452 2.744 0 40 IFAB COc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 9779498 ULTCWXXTWVHVPC-UHFFFAOYSA-N 431.558 2.591 0 40 IFAB COC(=O)c1ccc(COC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 9863993 QJLDLEZTGCXPTK-GOSISDBHSA-N 427.478 2.934 0 40 IFAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2n[nH]c(N)n2)cc1OC 9908781 CEJIDNAFNJDKEJ-CYBMUJFWSA-N 444.542 2.936 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCC1 10386669 JTOYGRKJIPZZLY-UHFFFAOYSA-N 436.555 2.825 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)cc2C)c2c(C(N)=O)nc(-c3cccs3)nc21 12236910 YVZLTLBZSPFJMB-UHFFFAOYSA-N 435.509 2.940 0 40 IFAB O=C(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12409128 RFIQBDULTDRMFU-UHFFFAOYSA-N 441.296 2.676 0 40 IFAB COC(=O)c1ccc2c(=O)n(CCCC(=O)NCc3ccc(OC)cc3)c(=S)[nH]c2c1 12416139 VTXIJTCKEHPVKS-UHFFFAOYSA-N 441.509 2.951 0 40 IFAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCCC2)C(C)(C)C)cc1 12473379 KAHWJVDJOBKNCE-WJOKGBTCSA-N 449.617 2.758 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12808900 OXMFIVYTIRDKRX-UHFFFAOYSA-N 429.542 2.847 0 40 IFAB COc1ccc(CNC(=O)N2CCCN(C(=O)NCc3ccc(OC)cc3)CC2)cc1 12905599 CRLAVZHVQVOKIM-UHFFFAOYSA-N 426.517 2.831 0 40 IFAB Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12907192 RBOQSCGPFMORFG-UHFFFAOYSA-N 445.463 2.776 0 40 IFAB Cc1c(NC(=O)COC(=O)CSc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 12928737 DBTLOHPZNMZPCP-UHFFFAOYSA-N 429.473 2.898 0 40 IFAB O=C(c1cnc2ccccn2c1=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12934116 OUPMVDILSRVOMO-UHFFFAOYSA-N 437.459 2.774 0 40 IFAB COCCNc1nnc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1 12979612 QOFPQIMVPPLFRO-CYBMUJFWSA-N 448.574 2.514 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCC(NC(=O)c3ccccc3)CC2)C1=O 13008192 HFUNYNKWXQZYOO-SANMLTNESA-N 446.551 2.794 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 13031594 KHDNHXRVTLMNDV-KRWDZBQOSA-N 426.542 2.607 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3cccs3)CC2)cc1 13037922 RMCYMCVLRLMSHS-QGZVFWFLSA-N 435.615 2.884 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nnc3ccccn23)c1 13120475 IEJZTBDDPWSIBD-UHFFFAOYSA-N 433.559 2.799 0 40 IFAB O=C(NCCCN1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13612234 FGDLZTRTALHFST-QFIPXVFZSA-N 443.569 2.635 0 40 IFAB CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)N2CCC3(CC2)OCCO3)=NC1=O 13729707 ILEABXXYFFKJAZ-HSZRJFAPSA-N 436.512 2.505 0 40 IFAB CN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 13930299 SGIWWTBTKFSKCU-HNNXBMFYSA-N 448.595 2.733 0 40 IFAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 14244197 SDYHKKZXOXLCSP-UHFFFAOYSA-N 445.472 2.608 0 40 IFAB COc1cc(OC)cc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c1 16047988 FJEJMTCLYOZHCR-UHFFFAOYSA-N 435.433 2.695 0 40 IFAB COCCNS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OC 17062728 KXPGEDBOUMOUBM-UHFFFAOYSA-N 436.574 2.566 0 40 IFAB Cc1nc(C)n(CC(=O)N2CC[C@@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)n1 19285698 CREASRHNCXBHFU-DEOSSOPVSA-N 435.503 2.648 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)c2cc(C)ccc2F)CCO1 19703237 AUWKQBJXHKBOJI-HNNXBMFYSA-N 449.529 2.866 0 40 IFAB O=C(c1ccnc(N2CCCC2)c1)N1CCO[C@@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704385 BDRHJTFIEKFPSK-SANMLTNESA-N 446.551 2.882 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1 19708237 WYYPYPJLIJGXAB-UHFFFAOYSA-N 439.541 2.873 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CN(CC(=O)N(Cc1ccccc1)C(C)C)CC2 19711378 MSGWHVFECZMBGX-UHFFFAOYSA-N 436.604 2.781 0 40 IFAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)ncc2C(=O)N2CCCCC2)on1 19766688 QNCLHEGUIZJPIY-SFHVURJKSA-N 427.505 2.704 0 40 IFAB CCCOc1ccccc1CCCNC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 22332271 BQIZTGRLDIWWTO-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC(C)CN1CCO[C@H](CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)C1 22694217 VDQAPZLWPRDMTP-GOSISDBHSA-N 449.548 2.713 0 40 IFAB Cc1cccc2c(=O)n(CCC(=O)NCC(=O)Nc3ccccc3Br)cnc12 24683469 OXDOZMRIOODQQO-UHFFFAOYSA-N 443.301 2.612 0 40 IFAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc2c(Cl)cc(Cl)cn12 24970636 NAWNZCMCBXTUJY-UHFFFAOYSA-N 429.310 2.973 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC 32124334 JUTSJPMJJCXQLC-SIKLNZKXSA-N 434.496 2.860 0 40 IFAB biogenic O=C(Cn1c(O)nc2c(-c3ccc(F)cc3)c[nH]c2c1=O)N1CCN(c2ccccc2)CC1 33038032 PQGPDQZGRRWTMU-UHFFFAOYSA-N 447.470 2.585 0 40 IFAB CCCN(C(=O)CN1CCc2cc(OC)c(OC)cc2C1)S(=O)(=O)c1cccc(C)c1 35877167 YRZSHHDTXQUIRX-UHFFFAOYSA-N 446.569 2.998 0 40 IFAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 40143390 PAPMAKVSWXHULF-DYESRHJHSA-N 426.538 2.819 0 40 IFAB NC(=O)C1CCN(c2nc(NCc3ccco3)nc3c2cnn3-c2ccc(F)cc2)CC1 40286104 CWWKDPROBDXIRS-UHFFFAOYSA-N 435.463 2.861 0 40 IFAB COc1ccc(C(=O)NC(C)(C)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NC(C)C 58157708 PHAOJEDMRQXUIZ-UHFFFAOYSA-N 434.514 2.776 0 40 IFAB CC(C)[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1nc(-c2cccnc2)no1 58268102 NVWKMEPNBNYBJO-GOSISDBHSA-N 441.513 2.799 0 40 IFAB Cn1ncc2c(N3CCC([C@@H]4CCCCCN4C(=O)C4CCOCC4)CC3)ncnc21 69981767 QQXJXBYXZLPHSC-FQEVSTJZSA-N 426.565 2.778 0 40 IFAB O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 70921327 OCHNAISXKGFLSD-UHFFFAOYSA-N 438.347 2.675 0 40 IFAB CCn1ncc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)c1C 72380705 MFPCQBGIZPPLTI-SFHVURJKSA-N 434.566 2.523 0 40 IFAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 95373567 XZNCJTBBUSIQRW-FQEVSTJZSA-N 441.894 2.649 0 40 IFAB CCC(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 100234593 AMXFLPQIHBXLOP-INIZCTEOSA-N 425.533 2.626 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 105287121 LFFNCRXJJOZIAT-QXUYJFJKSA-N 440.503 2.770 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]12 106020373 DAOJFFLKJUBXET-BREDGVMVSA-N 425.485 2.504 0 40 IFAB COc1cc(C(=O)NCCO)cc(I)c1OCc1ccccc1 107542328 XNIAUQHWLLNWKL-UHFFFAOYSA-N 427.238 2.601 0 40 IFAB COc1cccc(-c2cncc([C@@H]3CN(Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)n2)c1 257273063 NFCOVALCLIKNTK-DEOSSOPVSA-N 445.523 2.916 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl 408597077 WEXVAYWLZYYKIF-UHFFFAOYSA-N 426.922 2.981 0 40 IFAB COc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 408620208 KQCJNCWXTTYUDN-UHFFFAOYSA-N 427.320 2.858 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1cccc(OC)c1 409150943 FIBVUUKZZAOCAS-UHFFFAOYSA-N 439.541 2.896 0 40 IFAB COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCCC2)c1 585262402 NPNQKHJQFLHADK-LUKWVAJMSA-N 428.504 2.999 0 40 IFAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)c2cncnc2C)Cc2ccccc21 643555118 UFCORICHGYQEOO-UHFFFAOYSA-N 439.560 2.521 0 40 IFAB CCn1cnc2cc(NC(=O)[C@]3(C)CCCN(C(=O)CCc4cc(O)no4)C3)ccc21 1848353533 KXEUYFAIYYCCDC-JOCHJYFZSA-N 425.489 2.950 0 40 IFAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccccc4F)CC3)cc21 686337 ZGOVZBHDWPEHRL-UHFFFAOYSA-N 441.434 2.960 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)NC3CC3)nnc12 1325893 XOTRPMPLQOPPFJ-HUUCEWRRSA-N 440.573 2.844 0 40 IFAB CCOC(=O)N[C@](Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F 2270317 HNZGOVROJXXBJZ-MRXNPFEDSA-N 437.440 2.706 0 40 IFAB biogenic COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1 2785426 BTNCAPUGLXFYAU-AWEZNQCLSA-N 442.493 2.781 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 3456689 PCFSXCVNUWVDOZ-QFIPXVFZSA-N 442.903 2.513 0 40 IFAB CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc(C)cs1 8442194 YRTXUSYXFIZTAS-UHFFFAOYSA-N 436.588 2.828 0 40 IFAB COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 8886853 BDLWWTCIAOLVEV-GOEBONIOSA-N 432.550 2.656 0 40 IFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8943815 CEBABNYUKDHQKX-LJQANCHMSA-N 435.480 2.605 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)cc1 9034023 GSUBWGJXTLKMFA-BTYIYWSLSA-N 444.871 2.834 0 40 IFAB biogenic COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 9063828 LDJARPYPVBQWFD-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB CCOC(=O)C1=NN(c2cccc(OC)c2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 9191689 XISGXSRXQRUGSZ-PKOBYXMFSA-N 441.871 2.954 0 40 IFAB O=C(CN1CCCSc2ccccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9379309 NHLIGVYICMKJLW-UHFFFAOYSA-N 449.573 2.661 0 40 IFAB Cc1ccc(C)c(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9743625 URRBIZJQYNRSHE-LJQANCHMSA-N 443.569 2.992 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1cccc(C)c1 9761754 OEDWXLXCDCALQC-UHFFFAOYSA-N 425.416 2.874 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 9870478 BAVSZVQNAVHTGS-MRXNPFEDSA-N 442.965 2.930 0 40 IFAB O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)N1CCc2ccccc2C1 10876054 NKAGPFVKVWUMMO-IBGZPJMESA-N 427.574 2.734 0 40 IFAB COc1cc(OC)cc(C(=O)Nc2ccccc2S(=O)(=O)N2CCC[C@H]2OC(C)=O)c1 12364511 XQUDPNNCEUPWIL-HXUWFJFHSA-N 448.497 2.630 0 40 IFAB biogenic,in-vitro Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 12557007 WMCHDKUQIQUKQV-UHFFFAOYSA-N 428.470 2.851 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc(C3CC3)nn2-c2ccccc2)NC(=O)N[C@H]1CC 12746891 APNNVTFNDPJJBL-INIZCTEOSA-N 438.484 2.815 0 40 IFAB COc1ccc(N(CCN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2cc(C)ccc2C)cc1 12919126 CMRKSTLVCOHKBL-UHFFFAOYSA-N 445.541 2.838 0 40 IFAB COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)N1CCCC1 12980893 RRXSGJZJHHLKIZ-IBGZPJMESA-N 449.548 2.652 0 40 IFAB CCOC(=O)c1[nH]c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C(=O)OCC)c1C 13149505 YGXWLWZEOHMXGA-UHFFFAOYSA-N 426.473 2.545 0 40 IFAB CN1C(=O)N(C)C(=O)C(CNc2ccc(Cl)cc2)(Cc2ccc3c(c2)OCO3)C1=O 13681986 BTRJYNOMXPXEDG-UHFFFAOYSA-N 429.860 2.760 0 40 IFAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1=O 13987042 SRQWAHAESYEJRF-MRXNPFEDSA-N 445.541 2.682 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 15839549 ATGVNUKSUQSGNF-UHFFFAOYSA-N 441.513 2.580 0 40 IFAB O=C(Cn1nc2ccc(SC3CCCCC3)nn2c1=O)Nc1ccc2c(c1)OCO2 16843604 ZOEHNUMRUKNZDW-UHFFFAOYSA-N 427.486 2.683 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1 16954914 HPOCHIBPZYYAMP-OAHLLOKOSA-N 448.526 2.989 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)O[C@@H](C(=O)N3CCCCC3)c3ccccc3)ccc21 17956798 QXQKPPKQCARSLF-OAQYLSRUSA-N 442.537 2.919 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccco1 18200898 GTOMVBUDULPFBJ-HXUWFJFHSA-N 444.415 2.796 0 40 IFAB Cc1nc2c(c(N3CCN(C(=O)c4cccnc4)CC3)n1)CCN(Cc1ccccc1)C2 19286211 YPAHUWHEIBTSBV-UHFFFAOYSA-N 428.540 2.701 0 40 IFAB COc1ccc(OC)c(C(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)c1 19288990 JYSSVBCVZHUKOQ-UHFFFAOYSA-N 435.528 2.894 0 40 IFAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19332073 YBBJDXIDTZDEJU-FQEVSTJZSA-N 438.503 2.961 0 40 IFAB COc1ccccc1OCC(=O)NCC[C@H]1C[C@H](S(=O)(=O)c2ccccc2)CCO1 19712104 FUGNKPSOBZHGHK-PKOBYXMFSA-N 433.526 2.602 0 40 IFAB COCCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20051696 YORGIHCOMALQEN-UHFFFAOYSA-N 444.561 2.771 0 40 IFAB COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)sc2c1CCC2 20567895 ANLSXXIGGUQYJD-UHFFFAOYSA-N 426.491 2.567 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)c3c(C)nc4sc(C)cn4c3=O)C[C@@H]2C)c1 20921798 ROELAXFVUUMDKB-AWEZNQCLSA-N 432.571 2.581 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnnn2Cc2cccs2)sc2c1CCCC2 21738288 HDNBIRCVULZDAZ-UHFFFAOYSA-N 434.572 2.553 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2cccnc2OC)cc1 23101818 PPQXGKXJEYIWEK-UHFFFAOYSA-N 427.482 2.830 0 40 IFAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 23524769 JCPQDYRVEPHEEA-IERDGZPVSA-N 432.542 2.947 0 40 IFAB COCCNC(=O)NC(=O)CSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 24747014 NDUGZZJMDYTLQF-UHFFFAOYSA-N 432.527 2.524 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 28047175 BUSUAKLWURTGRV-UHFFFAOYSA-N 436.477 2.871 0 40 IFAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc(I)cc2)S1 28757011 GCQBJVIWDMZSQB-LBPRGKRZSA-N 431.299 2.960 0 40 IFAB COc1ccc(OC)c2c1CN(CN1C(=O)C(=O)c3c(Br)cccc31)C[C@H]2O 31783594 FQXRYNLEQYYZRT-CQSZACIVSA-N 447.285 2.502 0 40 IFAB O=C(CCc1nc(-c2ccsc2)no1)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 32776333 MBISWKGJCSQVQZ-LJQANCHMSA-N 427.482 2.874 0 40 IFAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 32833618 VEZVFGZAMANDEO-UHFFFAOYSA-N 428.470 2.947 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCNC(=O)c3ccco3)cc2)cc1 32908618 VQKPSMLVLBIJTG-UHFFFAOYSA-N 441.509 2.573 0 40 IFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1)[C@@H]1Cc2ccccc2CN1 35485276 HUIQEZPEAKRUCY-ZEQRLZLVSA-N 442.519 2.819 0 40 IFAB biogenic O=C(NCc1ccnc(N2CCOCC2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 48276574 YCVMPOFJGACLDU-KRWDZBQOSA-N 449.477 2.865 0 40 IFAB CCOc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc(OC)c3)CC2)n1 54274362 RKORLMWGGQJVFU-UHFFFAOYSA-N 435.532 2.927 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)no2)cc1 57742384 YGWZLHVQHYJXDF-UHFFFAOYSA-N 448.526 2.625 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)s1 58044801 GHNAZZLOBWOKCB-UHFFFAOYSA-N 425.551 2.696 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1=O 60064697 QHQQLPBEIDVEQD-GHTZIAJQSA-N 437.540 2.585 0 40 IFAB O=C(OCn1nnc2ccccc2c1=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 79183123 KHDIPRASSOBSKM-ROUUACIJSA-N 432.480 2.688 0 40 IFAB COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCCCC4)C2=O)cc1 95473841 ZSVSBLJBBDCMOU-MRXNPFEDSA-N 428.514 2.870 0 40 IFAB O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)N1CCN(c2ccc(Cl)cc2)CC1 96119121 XIIZCPDIHYDLLT-UHFFFAOYSA-N 427.892 2.642 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3ccccc3C)C2=O)cc1 97996374 QSXPTSGQCRUCKY-CPNJWEJPSA-N 437.521 2.886 0 40 IFAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 101166648 XUUXEKPOFNZUBQ-MSOLQXFVSA-N 429.839 2.973 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)cc1Cl 101169058 ANIWNYBSTHIDRR-DLBZAZTESA-N 449.801 2.559 0 40 IFAB C[C@H](C(=O)Nc1c(F)cccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 104677656 YVDWXQRHZMPDLV-ZIAGYGMSSA-N 430.455 2.988 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 219176738 XWUUOAUMCDSXSZ-UHFFFAOYSA-N 428.514 2.941 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)c1 220321817 YJFNZOOSNBNHDA-AWEZNQCLSA-N 432.477 2.655 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)n2cc(C(=O)OC)c3ccccc32)Oc2ccccc21 222609856 DVCJCTPXLCSAPY-IBGZPJMESA-N 428.466 2.685 0 40 IFAB CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223061666 VFAFQQQWAQFEGG-XMMPIXPASA-N 437.584 2.731 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)COc1ccccc1 223169618 GQBNBPUQQYEYDP-GOSISDBHSA-N 446.569 2.996 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc21 223618403 YGSVWLUJWXKOOS-UHFFFAOYSA-N 432.889 2.778 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 223678895 VFNZYRIHEQADMK-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB CCOc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 225748405 LJGRQMGNGJNTKF-UHFFFAOYSA-N 446.569 2.716 0 40 IFAB O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)ccc1F 238955255 XVGMYYGBDRBRQN-SNVBAGLBSA-N 445.266 2.523 0 40 IFAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@H]2CCCCO2)C[C@@H](C)O1 248329892 DVBXNQRJSBKGKW-RMJJICAUSA-N 446.592 2.806 0 40 IFAB CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408701216 ULOUEDOMYFBHKR-SFHVURJKSA-N 426.579 2.762 0 40 IFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O 409220089 YBUTUEAZBPPLQD-ZSOIEALJSA-N 426.878 2.756 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@H]2C)c1 585097240 GWYSVERVJPJJCS-QGZVFWFLSA-N 442.541 2.717 0 40 IFAB O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 597681725 DEJMTTVEGITHHH-UHFFFAOYSA-N 439.424 2.762 0 40 IFAB Cc1cc(C)nc(-n2cc(C(=O)N3CCC[C@@H](N4CCOCC4)CC3)c(C(C)C)n2)n1 622580124 GQZASNFUGXHLQA-LJQANCHMSA-N 426.565 2.729 0 40 IFAB Cc1ccc(CCNS(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)nc1 1191073450 IXFVXHNXDSZNIJ-QHCPKHFHSA-N 432.365 2.686 0 40 IFAB Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)o1 1359473 PTYRFSYZSPVQRT-UHFFFAOYSA-N 431.470 2.978 0 40 IFAB Cc1nn(C)cc1CN(C)C(=O)c1cnn2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc12 2782464 RFTOASRIIYVITJ-UHFFFAOYSA-N 446.437 2.771 0 40 IFAB CC1=CC(C)(C)NC(=S)N1c1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12 8602849 ODRAWDDXGQPCHY-UHFFFAOYSA-N 442.540 2.710 0 40 IFAB CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 9238839 YZFNBONPRWVJSB-CABCVRRESA-N 440.367 2.985 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN=C1SCc1cccnc1 9382459 IZOBAYNIYPVXAE-UHFFFAOYSA-N 430.555 2.611 0 40 IFAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 9594025 YWGFSBBGEYMVQQ-UHFFFAOYSA-N 436.424 2.836 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)c1 9807395 HTLZNPMWVQLQAJ-IBGZPJMESA-N 443.569 2.828 0 40 IFAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807464 PIKXSJFHZNOILO-IBGZPJMESA-N 443.569 2.828 0 40 IFAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)OCCO2 9954152 OBURHSUHDLFTGR-UHFFFAOYSA-N 429.432 2.598 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(OC)c1OC 10127866 DUYKWMFOIDSQMJ-PKNBQFBNSA-N 426.469 2.837 0 40 IFAB CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 10274119 RPWVKUKURKRXSQ-HNNXBMFYSA-N 449.939 2.509 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 11822413 KMRJHFUEBYEZOJ-UHFFFAOYSA-N 448.618 2.532 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 11997527 MAXWHGBHUGJWAG-UHFFFAOYSA-N 435.310 2.861 0 40 IFAB CC(=O)NC1(c2ccccc2)CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1 12113166 HZCYUEVXTICWCF-UHFFFAOYSA-N 436.556 2.589 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1OC 12197430 PNUZHDMHKUQOIT-KRWDZBQOSA-N 434.514 2.548 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nccnc3N)ccc2OC)cc1 12520925 PKYIKXUAZGRYKA-UHFFFAOYSA-N 443.485 2.519 0 40 IFAB O=C(NCCc1cn2ccccc2n1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12602196 SMISJQSQOQMAFY-UHFFFAOYSA-N 432.933 2.745 0 40 IFAB C[C@@H]1CN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C[C@@H](C)O1 12620788 FMNMAOKCWHINLH-BZUAXINKSA-N 443.997 2.951 0 40 IFAB Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC2CCCC2)c1 12701327 ORAXWDJOPKGYPJ-CYBMUJFWSA-N 429.546 2.535 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)sc2c1CC[C@@H](C)C2 12747979 FXFWLDRGSDCGFE-CQSZACIVSA-N 433.574 2.542 0 40 IFAB O=S(=O)(NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 12754641 PLBVNFIYFJDLQB-UHFFFAOYSA-N 448.488 2.837 0 40 IFAB COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 12761058 WNJIWTVHWKVZSA-HOTGVXAUSA-N 446.525 2.548 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 12779091 RIOUETWOTXTONW-UHFFFAOYSA-N 446.525 2.961 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)NCC(F)(F)F 13057070 IFJJMPJPPYGXTA-LLVKDONJSA-N 448.394 2.850 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cccc(C)c3C)CC2)c(C)c1 13062374 DKTHOYUYWCWHEK-UHFFFAOYSA-N 444.553 2.610 0 40 IFAB C[C@]1(C(=O)N(CC(=O)NCc2ccc(F)cc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 13082993 OPMAIVWULFJKAT-XMMPIXPASA-N 438.503 2.686 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccn2)CC1 13164266 UGIFGVCTBAKUNT-GOSISDBHSA-N 432.977 2.935 0 40 IFAB CC1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14141775 VKUPANNQNQRMHP-FQEVSTJZSA-N 444.553 2.606 0 40 IFAB Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(=O)n(C)n2)c1C(=O)N1CCOCC1 14389494 MOCQRWKXFSEJTN-UHFFFAOYSA-N 438.509 2.542 0 40 IFAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)COc2ccc3ccccc3c2)CC1 16248532 FLQZIHDSSABZFC-UHFFFAOYSA-N 439.537 2.939 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c(OC)c1 16261614 VNPWNTPDESKUMV-FQEVSTJZSA-N 432.542 2.773 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)c4cccc(F)c4)nn3c(O)c2C1 19017955 CPAIDLWGOAGYJC-HXUWFJFHSA-N 437.475 2.846 0 40 IFAB O=C(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)NCCc1c[nH]c2ccccc12 19068349 QBMAPNCGZZKTRU-UHFFFAOYSA-N 448.523 2.586 0 40 IFAB COCCn1nnnc1[C@@H](c1ccccn1)N1CCN(c2cc(Cl)ccc2C)CC1 19214564 ICDOKTYCUPJTPK-HXUWFJFHSA-N 427.940 2.588 0 40 IFAB CC(C)NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)[C@@H](C)N 19449784 NDFFDCQDPHAPKQ-HRISUVKJSA-N 448.611 2.780 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CCCc1ccccc1 19696005 GDNSNXGVOUIBTG-NRFANRHFSA-N 435.572 2.922 0 40 IFAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(CC(=O)N(C)C)C4)nc32)c1 19741406 GVFPYPGSSUSKDV-OAQYLSRUSA-N 449.599 2.883 0 40 IFAB Cc1cc(NC(=O)Cn2cccc(C(=O)Nc3ccccc3CN3CCCC3)c2=O)no1 19750152 BALIIWCUMNGDSI-UHFFFAOYSA-N 435.484 2.632 0 40 IFAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19755726 DFTDSRHGLXMICG-NRFANRHFSA-N 438.528 2.562 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 20019690 GICCREQELIQMIQ-HNNXBMFYSA-N 436.530 2.648 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 22780842 NDJSQJYOFFRUPK-IAGOWNOFSA-N 429.590 2.818 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O 23076347 UJPYUYYSTKRIIS-XMMPIXPASA-N 434.496 2.765 0 40 IFAB COc1cc(N2C[C@@H](C(=O)Nc3cccc(-c4nnco4)c3)CC2=O)cc(OC)c1OC 23146663 XTWMPKRIYCZGFQ-AWEZNQCLSA-N 438.440 2.754 0 40 IFAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCCN1C(=O)c2ccccc2C1=O 24765574 RPSCPTZAPGFYPH-UHFFFAOYSA-N 437.496 2.949 0 40 IFAB Cc1cc([C@H](C)NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)c(C)s1 26834099 JOBQDIYXKDGOMJ-ZDUSSCGKSA-N 434.580 2.805 0 40 IFAB COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C(C)C)cc1 29317274 NYDZFCRQVUNKMA-NRFANRHFSA-N 441.503 2.573 0 40 IFAB CCOc1ccc(CN(C)C(=O)c2cnn(-c3ccc(OC)nn3)c2CC)cc1OC 32796768 BLMGXPRHSOYLGS-UHFFFAOYSA-N 425.489 2.913 0 40 IFAB COc1cc(OC)c(N2C[C@H](C(=O)NCCN(C(C)C)C(C)C)CC2=O)cc1Cl 32989066 RJPLKIHCRSVPEH-OAHLLOKOSA-N 425.957 2.945 0 40 IFAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 33450502 IRLVKCNCQKXZMJ-FQEVSTJZSA-N 443.525 2.692 0 40 IFAB COc1cccc(-c2nc(O)c3c(S(C)(=O)=O)nn(-c4ccccc4)c3n2)c1OC 35066923 RVKYUBULFFPGMT-UHFFFAOYSA-N 426.454 2.609 0 40 IFAB COc1ccc(CCNC(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1 35590195 FIITVJVIBTUZGU-UHFFFAOYSA-N 447.542 2.912 0 40 IFAB Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)ccc1F 40120436 IWTYNZMUGUMOGN-AWEZNQCLSA-N 438.481 2.525 0 40 IFAB CN(C(=O)CCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccccc1 40121233 YYMRCAIGGKOWCG-IBGZPJMESA-N 425.504 2.776 0 40 IFAB CN1CCN(CCNC(=O)c2nc(N3CCCCC3)ncc2Cl)[C@H](c2ccccc2)C1 40154157 VHEZNOCSVZFTEW-FQEVSTJZSA-N 442.995 2.839 0 40 IFAB COc1ccccc1-c1c2c(=O)n(Cc3cccc4c3OCO4)ccc2nc2ncnn12 40398195 WMRCKJWSROVJRZ-UHFFFAOYSA-N 427.420 2.892 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399651 TXBHEIWOICBTND-MRXNPFEDSA-N 435.415 2.920 0 40 IFAB COc1cc(CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc(OC)c1OC 48302858 HITONYRULVSYIE-QGZVFWFLSA-N 434.436 2.934 0 40 IFAB COc1cc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc(OC)c1 51316977 BLWPOBJDVUAUEJ-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB COc1ccc(COC[C@@H](O)CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 57985513 KDAATMBJPZSJRH-IBGZPJMESA-N 425.485 2.762 0 40 IFAB CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 65565229 ZZGJGFZEFILJTC-GFCCVEGCSA-N 428.910 2.872 0 40 IFAB COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1F 89319573 JLYQHPOCEAKBDH-MRXNPFEDSA-N 446.859 2.513 0 40 IFAB Cc1ccc(CCC(=O)NCC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1 89632222 QCGQZDCVJJQQNU-FQEVSTJZSA-N 429.586 2.637 0 40 IFAB Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)Cn1cnc2ccccc2c1=O 89702559 DDGMLLXIXKJXSK-FQEVSTJZSA-N 442.523 2.987 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1S(=O)(=O)N1CCCCC1 101743864 QDEHMZNVCHSLCL-LNLFQRSKSA-N 432.542 2.864 0 40 IFAB Cc1cccc(C)c1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O 216396327 QHBIFTXYVUVKEE-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 219147665 CVYUQVOTCKSFLM-UHFFFAOYSA-N 444.513 2.606 0 40 IFAB O=C(C[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 257326149 WWAOFLDMUFPFSB-UGKGYDQZSA-N 426.488 2.984 0 40 IFAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 408645118 KDTPJHSSBRTPON-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB CC(C)(C)Cc1nc(-c2cccc(C(=O)NCc3cccc(S(N)(=O)=O)c3)c2)no1 525066296 MHHRGSSQYOZTGE-UHFFFAOYSA-N 428.514 2.903 0 40 IFAB CC(C)(C)CCNC(=O)[C@H]1CN(Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 585102011 WZTSJKUHBGAOEC-OAQYLSRUSA-N 444.620 2.699 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccccc1F 911632 JISMPRASKKKLGF-QMJOVRGKSA-N 428.510 2.999 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 9049521 YRHKLKMWSSOPLF-UHFFFAOYSA-N 426.523 2.707 0 40 IFAB O=C(CSc1nc2nccnc2c(=O)n1Cc1ccc(F)cc1)NCCc1ccccc1 9405326 RHTFZMRGPBQOAV-UHFFFAOYSA-N 449.511 2.825 0 40 IFAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cc(=O)n5ccsc5n4)C3=O)ccc2c1 9548990 UYJZWFVASQEGTK-QFIPXVFZSA-N 434.477 2.885 0 40 IFAB COC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1Cl 9695203 YRUHOSLZAZFKQJ-HQJQHLMTSA-N 443.308 2.782 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 9806147 UQRLAOXMUYAHNU-KRWDZBQOSA-N 435.933 2.556 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1 10316227 GBIZFQPVCZRMII-UHFFFAOYSA-N 439.519 2.799 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)N2CCC(C(N)=O)CC2)n1-c1ccccc1 10337333 JFUQAANPBLGXNO-UHFFFAOYSA-N 425.514 2.652 0 40 IFAB COc1cc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(OC)cc1Cl 11079963 RJRGFPRSXZQRHZ-OAHLLOKOSA-N 438.933 2.989 0 40 IFAB COc1ccc([C@@H]2SCC(=O)N2[C@@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c(OC)c1 11667047 VZOZFTFPRORIHG-XDCJIHQESA-N 427.526 2.929 0 40 IFAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 12185095 DFGLLSRSIKNJDJ-WTVMNDFJSA-N 449.507 2.519 0 40 IFAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12258359 CTURZZVWXHJNCO-SCUMNGBJSA-N 445.585 2.886 0 40 IFAB O=C1COc2ccc(C(=O)COC(=O)c3cccc(I)c3)cc2N1 12528952 VRILZNQANPHTTH-UHFFFAOYSA-N 437.189 2.662 0 40 IFAB CNC(=O)NC(=O)CCSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1 12738398 SURDIMKAGTUGHY-AWEZNQCLSA-N 434.541 2.891 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13085024 KRRWBCAPQRHWGI-QHCPKHFHSA-N 436.556 2.533 0 40 IFAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2nn3cnnc3s2)c1 13145995 UIRXBNCOCSEUAK-GFCCVEGCSA-N 440.510 2.578 0 40 IFAB COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13165087 HFKVJRKESBCUGY-INIZCTEOSA-N 448.541 2.757 0 40 IFAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)on1 13226047 FNQRJEKRFXOWFR-AWEZNQCLSA-N 438.513 2.712 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CNC(=O)[C@H]2CCCO2)n3C)cc1OC 13688054 FRBKRHWDGJWOAO-LJQANCHMSA-N 438.484 2.638 0 40 IFAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 13692573 HONHMLFQBHZDMO-AZUAARDMSA-N 446.551 2.884 0 40 IFAB NS(=O)(=O)c1cc(C(=O)Nc2ccccc2I)ccc1Cl 15418360 GSBPKNPAVLROAG-UHFFFAOYSA-N 436.658 2.844 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19689947 RDGIEANZWRPCCU-KRWDZBQOSA-N 430.509 2.608 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O 19699781 BXZGKWOOBTZABF-FQEVSTJZSA-N 432.609 2.990 0 40 IFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)CCCc1ccccc1)CC2 19710313 XDGQCUVCOUGBBT-LJQANCHMSA-N 443.617 2.648 0 40 IFAB COCCC(=O)N1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759484 GHWKNXCPPMLPCJ-SFHVURJKSA-N 426.498 2.880 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1C 21128632 NMIDPKFDDXRWLU-UHFFFAOYSA-N 429.458 2.595 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3nc(-c4ccccc4)no3)C2)cc1 22255511 ZACFDOMDSSHVON-SFHVURJKSA-N 440.525 2.762 0 40 IFAB C[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 25171148 OUHGHXNERRXXLA-DLBZAZTESA-N 440.537 2.561 0 40 IFAB CCOC(=O)c1csc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccccc2)n1 25186281 GMSVUETZESTEQY-UHFFFAOYSA-N 425.514 2.560 0 40 IFAB Cc1cc(N2CCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)CC2)nc(C(C)C)n1 29144124 YZXAQMDWAUQBOF-UHFFFAOYSA-N 436.560 2.796 0 40 IFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccnc1OC1CCCC1 40142089 KSUVKDOPRXYZOY-UHFFFAOYSA-N 428.880 2.971 0 40 IFAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 44885733 CXUUUHVANUQWID-FQEVSTJZSA-N 448.541 2.821 0 40 IFAB CCn1c(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc2cc(C)[nH]c2c1=O 57522039 MQJFFAPKDFSUFC-UHFFFAOYSA-N 432.502 2.810 0 40 IFAB C/C=C/c1ccc(OC[C@H](O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c(OC)c1 58010425 HRCWOYBVCDNWJV-SQRWCISFSA-N 426.469 2.895 0 40 IFAB O=C(CN1CCN(C(=O)c2ccco2)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 58337684 KUARUJPEENNVPB-HXUWFJFHSA-N 444.963 2.644 0 40 IFAB CCCN1CCc2nc(SCC(=O)N3CCN(c4ccccc4F)CC3)nc(O)c2C1 67291850 JTOOSSJDMCOQAY-UHFFFAOYSA-N 445.564 2.530 0 40 IFAB Cc1cccc(OC[C@H](O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 69416223 UBYRVUGPJZCXLD-CTNGQTDRSA-N 428.529 2.987 0 40 IFAB C[C@H]1CN(Cc2cccc(CNC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)c2)CCO1 72273227 YCQBONVKNRSCMH-RBUKOAKNSA-N 437.540 2.728 0 40 IFAB O=C1N[C@@]2(COC3(CCN(C(=O)c4cc(-c5ccco5)n[nH]4)CC3)C2)Nc2ccccc21 72325345 WTMVUJQKWVMHQR-QHCPKHFHSA-N 433.468 2.617 0 40 IFAB O=S(=O)(CCN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)c1ccccc1 72395706 BGQRERLJAZBJEX-DLBZAZTESA-N 443.495 2.752 0 40 IFAB NC(=O)COc1ccc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)cc1 84363474 SPJZFUFIUVTNQY-UHFFFAOYSA-N 433.302 2.749 0 40 IFAB COC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 85955676 ZGYAVTLYBOAMLX-WBVHZDCISA-N 442.269 2.665 0 40 IFAB COc1ccc(S(=O)(=O)NCCN[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 95995540 KCPRRVLWHNIZOH-IAGOWNOFSA-N 441.594 2.599 0 40 IFAB NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]1c1ccccc1O 102372344 LNLNNOKYZLOYAG-GGPKGHCWSA-N 445.500 2.590 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4=O)cc3)ccc21 223868000 PHHDSRYRMSNUPU-UHFFFAOYSA-N 441.553 2.587 0 40 IFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 224161796 AEHMCUXGKCJNJA-LBPRGKRZSA-N 448.526 2.847 0 40 IFAB COC(=O)c1cc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)ccc1Cl 224524102 LANVIYMSXMAPPU-UHFFFAOYSA-N 432.911 2.764 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCCC2)c1)c1ccccc1 224662562 GROOUBGFPPNHOA-UHFFFAOYSA-N 444.601 2.602 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225528617 HBMGDJYAFYHKDD-CQSZACIVSA-N 426.922 2.553 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)C(C)C)C3)nn2c(C)c1CCC(=O)NCc1ccncc1 257202728 ANBUHRIFENKXLX-HXUWFJFHSA-N 448.571 2.962 0 40 IFAB Cc1cc(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)Nc4nccs4)[nH]n3)C2)ccc1F 257344948 ZZIMHEGMFWMWSC-GFCCVEGCSA-N 435.506 2.744 0 40 IFAB CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@@]2(CCN(Cc3ccccc3)C2)O1 306141639 WCSXLRUODRQFBH-AHWVRZQESA-N 434.584 2.796 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 408591675 JWSBVLRPFNMURK-CQSZACIVSA-N 438.933 2.621 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc2c(c1)OCO2 408619624 HWFGNPDERJOVRY-UHFFFAOYSA-N 446.525 2.675 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC(C)C)cc1 408701272 VHAGRKYNAYXGML-UHFFFAOYSA-N 434.514 2.756 0 40 IFAB Cc1cccc(N(CCC(N)=O)C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 523570364 NOHIOPDDGGKFID-UHFFFAOYSA-N 439.537 2.725 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCn1ccnc1C)C2 643575724 JKQSPQASZAZWTQ-UHFFFAOYSA-N 428.533 2.688 0 40 IFAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3ccncc3)C[C@@H]1CO2 1772594598 OJWLDUQZCUECIS-LJQANCHMSA-N 447.495 2.511 0 40 IFAB C[C@@H]1CN(C(=O)CN2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)C[C@@H](C)O1 1888994954 CCQLTHBABYGSCU-QZTJIDSGSA-N 446.555 2.902 0 40 IFAB Cc1cccnc1CN1CCC[C@@]2(CC=CCOc3ccccc3C(=O)NCCNC2=O)C1 2037818670 IWASGEPPMYAPCH-SANMLTNESA-N 448.567 2.857 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)NC3=O)cc2Br)cc1 1097438 HWMPMZHJPQGFST-OQLLNIDSSA-N 430.258 2.955 0 40 IFAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NCCCN1CCCC1=O 2781488 WRVARMDKRMCVBR-SNVBAGLBSA-N 425.249 2.663 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c(OC)c1 3279155 XHCZSRZRVJMAQZ-XYOKQWHBSA-N 426.469 2.666 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 3361227 PWFVKAHLKALOHC-HUUCEWRRSA-N 442.965 2.786 0 40 IFAB C[C@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 4142616 XVDYAKZWFRVEBQ-HOCLYGCPSA-N 431.583 2.716 0 40 IFAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2F)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8754056 VXZYJKMPPWHPJY-GFCCVEGCSA-N 445.520 2.713 0 40 IFAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)c1ccc2c(c1)CCCC2 9001224 AAAWYUFEOJJKAA-UHFFFAOYSA-N 426.476 2.763 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)n2)cc1 9844549 WQPXXFQNKWRLOG-UHFFFAOYSA-N 439.537 2.776 0 40 IFAB COC(=O)c1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 10232713 GOSIQNLKQREXQH-QGZVFWFLSA-N 435.831 2.970 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1cccs1 10390741 YETQFLGNODXIFN-SFHVURJKSA-N 429.498 2.842 0 40 IFAB Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(F)c1 11248441 NMBSFYVDOSNVRD-UHFFFAOYSA-N 431.533 2.568 0 40 IFAB COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OC 11695763 IWEZLWSNHCLTRW-UHFFFAOYSA-N 435.528 2.959 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(NC3CC3)ncc2-c2cc(C)no2)cc1F 12160087 LNZRTDTWAWEPRK-UHFFFAOYSA-N 447.492 2.983 0 40 IFAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3N2)cc1 12468203 KYRGRLBASAZZSZ-SJLPKXTDSA-N 437.466 2.914 0 40 IFAB COc1ccccc1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 13632133 UHEIFPCSFPJADK-UHFFFAOYSA-N 426.535 2.650 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3Cc4ccccc4C3)cc1O2 13735233 FFYLKJDATCIVSD-UHFFFAOYSA-N 448.519 2.695 0 40 IFAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1nnc(C)s1 13956102 KUUGSTLJXNZQSN-UHFFFAOYSA-N 445.574 2.987 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc1 18457385 VJASATCFMGKBHU-CQSZACIVSA-N 448.570 2.578 0 40 IFAB O=C([C@H]1CN2CCC1CC2)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19293331 FCVIGRRBYCWMEU-DLBZAZTESA-N 436.434 2.997 0 40 IFAB O=C(c1ccco1)N1CCN([C@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1 19369675 FEISWSCUSGUOQO-HXUWFJFHSA-N 434.525 2.923 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19708660 UKEYVOGPTFYVPN-FQEVSTJZSA-N 441.507 2.695 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2Cc1ccccc1 19739757 DSMSDTJVXVOZBT-HXUWFJFHSA-N 447.539 2.550 0 40 IFAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19739867 ZFKCSWSCZLNARB-OAQYLSRUSA-N 444.539 2.936 0 40 IFAB COc1ccc(CCn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1OC 20142404 AWCBZBMKFVEGPQ-HSZRJFAPSA-N 436.560 2.578 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2C[C@H]1C 20449209 NNPMWHZPGYAGFM-QGZVFWFLSA-N 443.569 2.758 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCOCC3)nc2)cc1 21589715 SSDYKODLLWMIDV-UHFFFAOYSA-N 446.573 2.520 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 23473767 URDUMIREFGQZRG-UHFFFAOYSA-N 438.887 2.503 0 40 IFAB CCN(CC)[C@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Cl 23546806 CBDRYUGCZJDUTP-HXUWFJFHSA-N 442.947 2.933 0 40 IFAB O[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 27533978 POZXIQWTQDKBIX-APNVUFTPSA-N 428.573 2.879 0 40 IFAB C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 34857404 IKXQTPMEUNKIJH-INIZCTEOSA-N 427.998 2.826 0 40 IFAB C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 34857407 IKXQTPMEUNKIJH-MRXNPFEDSA-N 427.998 2.826 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@H]1c1ccc(F)cc1 36612244 DBGOFKQCEOGWRU-WBNHJWIASA-N 443.525 2.702 0 40 IFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCSCc2ccco2)Oc2ccc(Cl)cc21 38852148 BDJYDWYMPSKMHU-KRWDZBQOSA-N 444.962 2.900 0 40 IFAB CN(C)C(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 40128716 AERMKNUDAOBFBI-AWEZNQCLSA-N 428.455 2.874 0 40 IFAB CC(C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 40150862 XXTLZYYIQXADBT-UHFFFAOYSA-N 430.935 2.683 0 40 IFAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 40390321 MKSQUBAFHWFNMZ-UONOGXRCSA-N 425.489 2.612 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccccc1C(F)(F)F 40478187 JBOSSPACNNTLGY-UHFFFAOYSA-N 446.364 2.833 0 40 IFAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCCCC3)c(C)c12 58312971 JAKXGQZEVUEUAS-JKSUJKDBSA-N 448.614 2.567 0 40 IFAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)Nc1ccc2c(c1)OCCO2 77196686 RSZXLVVNEZHQIM-UHFFFAOYSA-N 433.472 2.613 0 40 IFAB CCN(CCN(C)CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 79021460 HFOQQDHECKEXQK-UHFFFAOYSA-N 429.892 2.547 0 40 IFAB COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)ccn1 79045778 FBUHYXQLVUFDFI-UHFFFAOYSA-N 425.466 2.946 0 40 IFAB COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 95475751 QRNYHBNHBBXNAD-UHFFFAOYSA-N 438.915 2.921 0 40 IFAB Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@@H](n3nccc3C(F)(F)F)C2)c1C 95995487 FTWQNFGNAIRBCR-CYBMUJFWSA-N 430.452 2.643 0 40 IFAB O=C(NCc1ccccn1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 96243857 FNNPKBZLWWUURX-NRFANRHFSA-N 435.503 2.624 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccccc2-n2cccn2)C3)c(OC)n1 100728515 OVHOSNHUEIHXQL-OALUTQOASA-N 435.528 2.799 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 224724139 MIALZSJSBZOSDI-UHFFFAOYSA-N 446.447 2.805 0 40 IFAB CC[C@]1(C(=O)OC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 253606585 VFIODVKIYYZUET-ZQAYVECASA-N 426.444 2.606 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)c1 408662602 KKHQXRPPTIDABC-UHFFFAOYSA-N 443.456 2.563 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 409393965 ZOHZGMFYEFFLEG-QGZVFWFLSA-N 446.569 2.852 0 40 IFAB C[C@H]1COc2ccccc2CCCCC2(CCN(C(=O)CN3CCCC3=O)CC2)C(=O)N1 643562801 QOXDJTNNSQVKHD-IBGZPJMESA-N 441.572 2.528 0 40 IFAB Cc1cc(F)cc(CN2CCN3C(=O)OC4(CCN(c5ccnc(C)n5)CC4)[C@H]3C2)c1 1549161959 LRRYWHDHZORKRA-HXUWFJFHSA-N 425.508 2.908 0 40 IFAB O=C(NCCCCN1CCC[C@@H]1CO)c1ccc(Cn2cc(Br)cn2)s1 1630076753 NGZXGGVBQSEZTR-OAHLLOKOSA-N 441.395 2.722 0 40 IFAB Nn1c(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)nnc1-c1cccnc1 3242758 NVWTULKHVRHNSE-UHFFFAOYSA-N 429.815 2.852 0 40 IFAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCOCC1 3566834 DORPAUKQMPEDLS-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)s1 3991772 CVHPCKIWGNBWII-UHFFFAOYSA-N 432.483 2.852 0 40 IFAB CCCCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 6162144 XCBVSIDIOYQXBV-UHFFFAOYSA-N 435.937 2.618 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)NCc3ccco3)cc2c1 6198448 ZURBJNIDMYGAOR-UHFFFAOYSA-N 428.558 2.958 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1(c3ccccc3)CC1)n2C 8724784 JWXCXMLPMXOYSD-UHFFFAOYSA-N 440.569 2.604 0 40 IFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)CC1=O 8825467 MCSJQXBWPLBRQI-QGZVFWFLSA-N 449.507 2.909 0 40 IFAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 8917058 WXKXXMIFOMGKMB-KUHUBIRLSA-N 425.462 2.534 0 40 IFAB C[C@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CC(=O)c4ccccc4)c(=O)n3C)n2C1 9156829 CKWPINCADXYOSJ-INIZCTEOSA-N 429.480 2.567 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c1 9372924 XSIPDJAENBMQGJ-UHFFFAOYSA-N 446.312 2.621 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 9514711 JAUPHXOFFPEHPI-OLZOCXBDSA-N 433.559 2.985 0 40 IFAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4Cc3ccccc3)n(C)c2=O)c1 9519113 GAEKKJAEIQMOTM-GOSISDBHSA-N 429.524 2.910 0 40 IFAB CCOC(=O)[C@@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(F)cc3)n2n1 9578744 NLOBSHSWZHAWKV-OAHLLOKOSA-N 431.493 2.670 0 40 IFAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1ccco1 9831229 OPIPAXPJVPAPRY-UHFFFAOYSA-N 427.464 2.935 0 40 IFAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCN(c2ccc(F)cc2)CC1 9952722 HXOGCEKHDBPNBJ-UHFFFAOYSA-N 445.296 2.591 0 40 IFAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 10253093 NQHAQPFGABGXDD-UHFFFAOYSA-N 438.552 2.675 0 40 IFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)ccn3n2)cc1 10273856 KBPUSZMZUWZWEQ-UHFFFAOYSA-N 434.452 2.828 0 40 IFAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10499722 QTPQTACNWHLZFN-AWEZNQCLSA-N 426.498 2.997 0 40 IFAB CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696154 MSJGBHCZCMZACM-INIZCTEOSA-N 442.541 2.915 0 40 IFAB COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)c1 11898702 ZZCKKWDGYJXISB-FQEVSTJZSA-N 428.533 2.714 0 40 IFAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc2c(c1)OCO2 12196908 LTWQBFTUCUMLAG-LLVKDONJSA-N 433.349 2.821 0 40 IFAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 12219677 MUJRPAYDKQNJFB-HNNXBMFYSA-N 435.484 2.821 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c(OC)c1 12237777 FPULAAVRAKWEGX-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 12548546 VEYMFAMIZHGETA-QGZVFWFLSA-N 430.873 2.873 0 40 IFAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1-c1ccc(O)cc1 12574996 UOAGJTZSOYSRRL-RMKNXTFCSA-N 427.464 2.866 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(OC)cc1OC 12901562 VMGVJMHBTYNMQV-UXBLZVDNSA-N 426.469 2.975 0 40 IFAB CCCCN(C(=O)Cc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13041881 JSNMWQLZJLFBDM-UHFFFAOYSA-N 436.512 2.552 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13410167 CAYUHTIBZSPXHK-SFHVURJKSA-N 435.509 2.961 0 40 IFAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)cc3)nc(C(C)(C)C)nc2n(C)c1=O 15280823 WUKSJWREMBATEG-UHFFFAOYSA-N 447.948 2.709 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(NC(C)=O)c2)cc1Cl 16692713 ASQMMLQEYGTDJF-UHFFFAOYSA-N 439.921 2.956 0 40 IFAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4cccc(OC)c4)C[C@H]23)cc1 19557736 SOLXQNZWPQHXII-DNVJHFABSA-N 430.570 2.953 0 40 IFAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCC[C@@H](O)C4)on3)CC2)c1OC 19567653 MUKWZPPXMBWYBZ-GOSISDBHSA-N 429.517 2.668 0 40 IFAB COc1ccccc1OCCN(C)C(=O)[C@H]1CN(C)C[C@@H]1c1ccc(CNC(C)=O)cc1 19699274 YSOAFWBFDDDUIJ-YADHBBJMSA-N 439.556 2.514 0 40 IFAB Cc1nc(N(C)C)ncc1C(=O)N1CC[C@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 19702428 UJAXNQXHDBIAMS-AWEZNQCLSA-N 438.557 2.792 0 40 IFAB CN1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)NC4CCCCC4)ccc(=O)n2C3)CC1 20503714 FOSKSDXPNGVUIW-ZWKOTPCHSA-N 427.593 2.816 0 40 IFAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20768651 BGHMHEKZOAQWDP-UHFFFAOYSA-N 438.571 2.738 0 40 IFAB CC(C)(C)c1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 21982363 CRYPEEQOSNMDHJ-UHFFFAOYSA-N 444.553 2.952 0 40 IFAB Cc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 22249290 MUDMKEXJGQDOAU-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CCn1c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc2c1=O 23053501 XVQPFNUZMJTFOY-UHFFFAOYSA-N 433.555 2.838 0 40 IFAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 27084011 FOVZCYZQSMCBDO-UHFFFAOYSA-N 444.495 2.704 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 30556328 LPHDUORWTSURHV-UHFFFAOYSA-N 441.597 3.000 0 40 IFAB O=C(Cn1cccc2c(=O)n(Cc3ccncc3)c(=O)nc1-2)Nc1cccc2ccccc12 32615485 GTFRAERQRUTQEX-UHFFFAOYSA-N 437.459 2.745 0 40 IFAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)cc1F 40478051 SKEXVCIPKDEJQG-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C(=O)N1CCOCC1 44904824 IWNJLZIUQMQALZ-FQEVSTJZSA-N 430.526 2.524 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)CC2)c(F)c1 58170340 KOOPVTHSYRXFPY-INIZCTEOSA-N 438.503 2.914 0 40 IFAB CC(=O)N1c2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3F)cc2C[C@H]1C 59746232 BPTAFGJYMGLVHJ-MRXNPFEDSA-N 433.549 2.876 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCCCO2)Cc1ccccc1Cl 64987339 AUTSGHJSAXSCBT-UHFFFAOYSA-N 438.933 2.579 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccnc(Nc3ncccc3C(F)(F)F)n2)C1 72377827 VTQQMQIRZBHYLB-LBPRGKRZSA-N 430.456 2.620 0 40 IFAB CCOc1cc(CNc2ccc(N3CCNC(=O)C3)nc2)cc(Br)c1OC 95462143 GWIOASHNVHQHQH-UHFFFAOYSA-N 435.322 2.800 0 40 IFAB Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1 95482523 JEEBRBZWJMDYJS-IBGZPJMESA-N 429.586 2.682 0 40 IFAB NC(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cc2c(cc1Br)OCCO2 95941676 AWKDIFGGDRLXBA-UHFFFAOYSA-N 431.286 2.841 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CN(c2ncccn2)C[C@@]32CCN(C)C2=O)c1 96144273 JCTKMPMCOLSZJV-RUZDIDTESA-N 433.556 2.685 0 40 IFAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(C(=O)c2cc(C4CC4)on2)C3)c(OCC)n1 100729205 PWKKNLWBZCUPIH-HOTGVXAUSA-N 442.516 2.899 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)s1 223237260 BBXQGMCAZQVXSL-ZDUSSCGKSA-N 428.561 2.596 0 40 IFAB Cc1ccccc1OCCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 223694522 ZQGVHUVBNKBPAR-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O 223894019 KUNSAZUDBLSPBQ-GFCCVEGCSA-N 442.584 2.810 0 40 IFAB CN(c1ccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1)S(C)(=O)=O 224700113 CTOBGGTWMGOFOB-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CCOc1ccc(C(=O)N2CCOCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224805171 WEOCUVYHRZOKHI-UHFFFAOYSA-N 436.505 2.663 0 40 IFAB Cc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 225125229 QJAQLTWEXLAXCZ-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN3CCCCCC3)s2)cc1 225330293 UARNCJTYICLQPE-UHFFFAOYSA-N 437.591 2.643 0 40 IFAB Cc1cccc(CSCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 225559048 XNFFVOPWYVSZAY-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)c1 225684366 IAIIOMZLYVFXAY-UHFFFAOYSA-N 430.511 2.779 0 40 IFAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257323037 WIMVMJFWODTJMF-LJQANCHMSA-N 432.517 2.530 0 40 IFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 408600429 BBOIYOZWEONEJT-LLVKDONJSA-N 428.894 2.671 0 40 IFAB CCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)ccc1C 408616897 BLKCCNBSTQFJGI-UHFFFAOYSA-N 431.558 2.654 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 408654033 JDKYISWLQUWRRX-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB COC(=O)C[C@H](c1cc2ccccc2nc1O)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404944 JVYPGVAPOGPLEH-QGZVFWFLSA-N 448.479 2.777 0 40 IFAB biogenic Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 605261145 KRENMHJDPVUMKV-SFHVURJKSA-N 427.892 2.896 0 40 IFAB O=C1CN2CCN(C(=O)NC3CCCC3)C[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594774 XBHHKUKWGZCHCK-FQEVSTJZSA-N 435.528 2.718 0 40 IFAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1Cl 810091 NBBBHOUBCDMNQG-UHFFFAOYSA-N 442.896 2.542 0 40 IFAB CCOC(=O)Cn1nnnc1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 926872 WBPLNUMIKUEXEY-UHFFFAOYSA-N 438.532 2.639 0 40 IFAB Cn1c(=O)c2c(nc(NCCc3ccc(F)cc3)n2Cc2ccccc2Cl)n(C)c1=O 1409294 IOVJZMIECKXUPJ-UHFFFAOYSA-N 441.894 2.929 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O 2659666 WWWKHOYACGNXCE-QFIPXVFZSA-N 440.525 2.522 0 40 IFAB CCOC(=O)c1sc2nc(CSc3nc4nc(C)cc(C)n4n3)[nH]c(=O)c2c1C 3337705 MUOCKAZFRSBXCA-UHFFFAOYSA-N 430.515 2.817 0 40 IFAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 3495679 OMKYXYFVYIOFRG-UHFFFAOYSA-N 444.509 2.700 0 40 IFAB Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 3621963 RANFALVLDVGJJU-IAGOWNOFSA-N 436.574 2.831 0 40 IFAB CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)Cc1ccccc1 4806390 KNENAMJIAODDGM-RBUKOAKNSA-N 426.579 2.615 0 40 IFAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7217590 MNFSPGVFEGUZKI-LJQANCHMSA-N 427.570 2.502 0 40 IFAB CCOc1cc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O 8438638 XECKZJRXQSHIAF-QTDGGUCWSA-N 436.501 2.734 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Cc4cc(OC)c(OC)cc4CN3C2=S)cc1 8770480 LKSJZPRTSYDNJA-QGZVFWFLSA-N 426.494 2.939 0 40 IFAB CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 9191149 QUSCAFJHLWMLFW-GOSISDBHSA-N 431.514 2.745 0 40 IFAB CCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9191161 YFOAXAVXLUFTNG-INIZCTEOSA-N 445.541 2.765 0 40 IFAB C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9255616 MEJJHHPBFKOKBG-ZDUSSCGKSA-N 441.912 2.939 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@H](C)Sc2nc(Cl)nc3nc[nH]c23)CC1 9421604 ZMUQLAQEEUTQDA-LBPRGKRZSA-N 432.937 2.844 0 40 IFAB CCOC(=O)C1CCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)CC1 9424834 SMYBYHQQJHPMKL-UHFFFAOYSA-N 431.489 2.567 0 40 IFAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9462715 FBAJDKBKALTKHD-RDGPPVDQSA-N 438.281 2.917 0 40 IFAB Cc1ccccc1CN(C)C(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(CC(C)C)c1=O 10488874 LXIGAUSRFDNNAH-UHFFFAOYSA-N 439.560 2.639 0 40 IFAB Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 10589363 PNEULGLPZKRKSK-ZDUSSCGKSA-N 438.402 2.786 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 12688260 OFKKIAMETCVDLR-CQSZACIVSA-N 441.465 2.856 0 40 IFAB CCNC(=O)c1cccc(NC(=O)CSc2nnc(N(C(=O)CC)C3CC3)s2)c1 12921066 SGMYYDMZRWURPS-UHFFFAOYSA-N 433.559 2.924 0 40 IFAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1c(F)cccc1Cl 12975137 QAYSMBOLGBEGSZ-GOSISDBHSA-N 439.940 2.953 0 40 IFAB COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 13015970 RQLGOZRCDRMKII-HNNXBMFYSA-N 438.571 2.791 0 40 IFAB C[C@@]1(C(=O)N(CC(=O)NCc2ccc(F)cc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 13082992 OPMAIVWULFJKAT-DEOSSOPVSA-N 438.503 2.686 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(F)cc1 13121623 HSRQWBBXJWXGMA-UHFFFAOYSA-N 440.518 2.586 0 40 IFAB CCOC(=O)C1CCN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 13595831 URMOTQBZZOBIQS-UHFFFAOYSA-N 444.981 2.996 0 40 IFAB CN(C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13676997 PYVCLAUMJUVQPH-CQSZACIVSA-N 436.405 2.603 0 40 IFAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 16216559 JKJQDACZPPWWDZ-UHFFFAOYSA-N 432.542 2.654 0 40 IFAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 16850893 CTAWWZAEJGKBFY-SFHVURJKSA-N 428.558 2.974 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)c1 19235088 SRTUUJMRTFHWBU-HXUWFJFHSA-N 430.574 2.512 0 40 IFAB Cc1n[nH]c(C)c1CC(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19578784 CKPFZZPIVBMNJR-OAQYLSRUSA-N 446.486 2.954 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)c4ccnc(N(C)C)c4)C3)c2N)cc1 19584191 XKBMSBKNVCCGSC-KRWDZBQOSA-N 448.527 2.659 0 40 IFAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(C(N)=O)cc1 19689790 GMQSUSSKSJWOJV-HXUWFJFHSA-N 448.527 2.820 0 40 IFAB CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2n[nH]c3c2CCC3)C1 19739155 LZCSYHSEPWCPTG-QHCPKHFHSA-N 425.533 2.755 0 40 IFAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)C(C)(C)OC)nc32)c1 19744227 HDSIOFAOGXRQBE-LJQANCHMSA-N 438.528 2.971 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)ncc1C(=O)N1CCOCC1 19755689 CLJBMXDGUURHCY-OAQYLSRUSA-N 433.512 2.645 0 40 IFAB Cn1cc(C(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)c(N)n3)CC2)ccc1=O 19765978 NCNZLCAUFNDWDY-UHFFFAOYSA-N 449.486 2.774 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1Cl 19938206 KOYIUYKLDAJMRR-JXMROGBWSA-N 447.988 2.964 0 40 IFAB COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCc2ccccc2C1 19973175 GFQOOOXBRFGUOI-HSZRJFAPSA-N 444.539 2.926 0 40 IFAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O 20040081 NRUBALDWOZUZES-UHFFFAOYSA-N 431.514 2.535 0 40 IFAB CCOc1ccccc1-n1c(=O)[nH]c(O)c([C@H]2c3[nH]c4ccccc4c3CCN2C)c1=O 20757430 PVGVNPZGUPVJKJ-NRFANRHFSA-N 432.480 2.689 0 40 IFAB biogenic COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 23107022 QVFVXIULFDFDAD-LJQANCHMSA-N 431.920 2.785 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(C(=O)N2CCOCC2)CC1 24251906 FPMHGBONYXAWSC-CYBMUJFWSA-N 448.873 2.756 0 40 IFAB CC(C)(C)NC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 25688367 ONWSBMOHYQRRFK-UHFFFAOYSA-N 446.773 2.540 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3c(Br)cccc32)cc1 40282859 WVXJLVALFMHVHK-UHFFFAOYSA-N 436.331 2.758 0 40 IFAB CCc1nn2c(nnc3c(=O)n(-c4nc(SC)n[nH]4)ccc32)c1-c1ccc(OC)cc1 40372811 BBWRDSRSWZZSOZ-UHFFFAOYSA-N 434.485 2.506 0 40 IFAB NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1COc2ccccc2O1 58022956 UICYSBXMPDHHAG-QHCPKHFHSA-N 432.476 2.920 0 40 IFAB C[C@H](NC(=O)CSc1cccc[n+]1[O-])c1cc2c(cc1Br)OCCO2 58417411 BFYHNKZHDUDHLE-NSHDSACASA-N 425.304 2.823 0 40 IFAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 59811860 FLZOBBBEFHTFEB-CYBMUJFWSA-N 446.356 2.507 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ncncc3-c3cc(C)no3)CC2)cc1 72334650 ZRUUSNROMADEAD-UHFFFAOYSA-N 441.513 2.967 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)CC1 77199922 XHPRWMDEORYHSO-UHFFFAOYSA-N 435.484 2.753 0 40 IFAB O=C1COc2cc(S(=O)(=O)NC(=O)c3csc(-c4ccco4)n3)c(Cl)cc2N1 89797978 NLKRALRXDJJOGK-UHFFFAOYSA-N 439.858 2.506 0 40 IFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1 95465545 JMWCRYOQEBTTGX-LJQANCHMSA-N 430.526 2.718 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 95478673 DSMJIYBWDFAPBV-INIZCTEOSA-N 434.928 2.580 0 40 IFAB CCCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4CCCCC4)c(O)n3n2)C1 100685940 MOBBFXSJRSQBKX-KRWDZBQOSA-N 427.549 2.804 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222416114 MUVNCQXJWIVZNZ-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222433371 BXXUAICZIKPPTF-LJQANCHMSA-N 445.585 2.705 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222458220 RECCAZVAPYSOJD-IBGZPJMESA-N 445.585 2.541 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223739084 NRQQPFJCZPUVIU-UHFFFAOYSA-N 434.558 2.808 0 40 IFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 223833362 SJXXZUYWUOOXLM-UHFFFAOYSA-N 440.905 2.694 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 224228708 FIBXGFJFIJHVCU-NRFANRHFSA-N 432.542 2.751 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1C 224534257 OMHRDKFFYCRIHU-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)cc1Cl 224817253 LGGMKGRRQCBTSW-UHFFFAOYSA-N 445.877 2.654 0 40 IFAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CC3(CC(=O)O)CCCC3)C2)c2cnccc2n1 257200609 AEBBWPODWGUAFL-DEOSSOPVSA-N 440.544 2.763 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257202513 AMELWWFURHWRLW-UAHNQYTASA-N 447.535 2.875 0 40 IFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1C 408618922 GPYBDJCAKVECQM-UHFFFAOYSA-N 442.921 2.843 0 40 IFAB CN(Cc1nccn1C(F)F)C(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 550206988 AUSDNOODWFVDTF-UHFFFAOYSA-N 426.330 2.863 0 40 IFAB CN1CCC[C@H](CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCOCCO3)C1 643583874 DTQQDKUGSMFQLE-JOCHJYFZSA-N 437.584 2.848 0 40 IFAB CCn1ncc2c1CCC[C@@H]2NC(=O)CCCC(=O)N[C@@H]1CCCc2c1cnn2CC 673952507 HUKLGQQPAXBGEL-KDURUIRLSA-N 426.565 2.977 0 40 IFAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NC[C@H](O)CO)ccc21 2037931666 DXTBDRVWVMYHPM-QFIPXVFZSA-N 433.593 2.545 0 40 IFAB C[C@@H](CNC(=O)c1cncc(Br)c1)NC(=O)c1cncc(Br)c1 2311524 GMFQVRMRQWUSHB-VIFPVBQESA-N 442.111 2.550 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1 2384487 COEJPLOFJHFKOC-INIZCTEOSA-N 447.532 2.678 0 40 IFAB COc1ccccc1N1C(=O)[C@H]2C(C(C)=O)=NN(c3ccc(Br)cc3)[C@H]2C1=O 8424503 SJBCFKTVGHHJJO-FUHWJXTLSA-N 442.269 2.781 0 40 IFAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 8746707 BAZIUQNZHNDTOO-HNNXBMFYSA-N 444.509 2.609 0 40 IFAB COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2C)c1 9095835 CKQJOMDWWVDAJQ-UHFFFAOYSA-N 447.467 2.763 0 40 IFAB NC(=O)c1c(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)sc2c1CCC2 9155623 UQMJQDMCJYCOIA-PDGQHHTCSA-N 439.522 2.983 0 40 IFAB CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 9221037 UGXMCONZZQTVGC-KRWDZBQOSA-N 432.571 2.552 0 40 IFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1ccc(F)c(Cl)c1 9491220 ZOQVUYREMBHIIE-UHFFFAOYSA-N 434.899 2.825 0 40 IFAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccc(Br)cc1F 9608557 BVVAVNKQDMDZST-UHFFFAOYSA-N 448.252 2.834 0 40 IFAB CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9715180 QKDXYXJLIBWZFA-MRXNPFEDSA-N 446.554 2.655 0 40 IFAB Cc1ccc(-c2n[nH]c(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)n2)cc1 10219824 RBICHXKGKNETDU-KRWDZBQOSA-N 434.587 2.831 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 10334879 XMEYTQREOQXXMP-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)CCc2ccccc2)c3=O)cc1 12234166 BOWHJBNNCVUCNG-QGZVFWFLSA-N 433.512 2.940 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1=O 12527745 YNKHQNVLVRMIBT-QFIPXVFZSA-N 442.903 2.582 0 40 IFAB CCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 12887685 CFPVYVPWJQGPJO-FSJXIACGSA-N 430.508 2.669 0 40 IFAB biogenic CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O 12914613 ZRLFCGXXRHWRHC-UHFFFAOYSA-N 436.512 2.879 0 40 IFAB COC(=O)c1cc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc(C(=O)OC)c1 12997223 RTOUEVQZNMWVST-UHFFFAOYSA-N 439.399 2.506 0 40 IFAB CC1=CC=CN2C1=NC(=O)C[C@@]2(C)C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1 13083015 BTWRCKNHFIYJAG-VWLOTQADSA-N 434.540 2.937 0 40 IFAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 13128413 SEUPRWQNRXNURM-UHFFFAOYSA-N 444.499 2.876 0 40 IFAB CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 13502738 ALHFWGZDNDXQMI-LJQANCHMSA-N 449.573 2.670 0 40 IFAB COCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 13815055 AGGMTEWVCGSMQO-UHFFFAOYSA-N 426.469 2.843 0 40 IFAB COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3c(F)cccc3F)n2C)c1 13956710 MIUDHZFISYRQSV-UHFFFAOYSA-N 447.467 2.763 0 40 IFAB O=C(c1cc(F)ccc1Br)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14188975 UXMOPBYXZLYHEX-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB O=C(NCc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15009051 GINFUWZSNFODMW-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB O=c1c(Cl)c(N2CCN(C[C@@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 15115643 KGRAXBBYAKANIB-AWEZNQCLSA-N 443.857 2.601 0 40 IFAB CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 15506138 ZOORSAIISUSPPR-IVZQSRNASA-N 432.423 2.764 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1C 16526584 VXMURMSTIHKHJK-UHFFFAOYSA-N 428.510 2.622 0 40 IFAB Cc1ccnc(N2CCC[C@H](c3nc(N4CCN(C)CC4)ncc3-c3ccncc3)C2)n1 19238234 WTBSGDJQRVCTKV-FQEVSTJZSA-N 430.560 2.773 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)C2 19744158 PKRIAXXRYHAGOY-KRWDZBQOSA-N 444.557 2.962 0 40 IFAB Cc1cc(C(=O)N2CCC[C@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C2)c(=O)[nH]c1C 19763223 WUPTXNZWILZZQG-SFHVURJKSA-N 437.544 2.736 0 40 IFAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(NC(C)=O)cc2)n2c1nc1ccccc12 20103407 UVYLTSPSFNNJJI-HXUWFJFHSA-N 435.484 2.948 0 40 IFAB O=C(O)[C@H](c1c[nH]c2cccc(Cl)c12)N1CCN(S(=O)(=O)c2ccccc2)CC1 20745887 ATFBMKOQWFQOTP-IBGZPJMESA-N 433.917 2.954 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3nc4ccccc4s3)CC1)C2=O 22912913 AMPGYIOSXCRCKQ-UHFFFAOYSA-N 427.574 2.872 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 24972090 YFSVQSFYWGPZBC-UHFFFAOYSA-N 441.576 2.998 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c(OC)c1 32768811 JKFHDGATIYMHHI-LJQANCHMSA-N 433.530 2.794 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)c(F)c1 32802785 ALARLQCWVHEHTJ-UHFFFAOYSA-N 442.491 2.758 0 40 IFAB COc1cc(CCC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc(OC)c1OC 32930453 HPPWQGFAHRWUQC-CALCHBBNSA-N 443.544 2.970 0 40 IFAB COc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc(=O)oc2c1 33361116 TTXPSNRXQGZMKB-UHFFFAOYSA-N 428.510 2.617 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35363925 KORZJRHCDXYWAD-GHKSEFQYSA-N 442.519 2.930 0 40 IFAB biogenic CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 36382467 MXDLDUWRLWADJC-DHIUTWEWSA-N 437.540 2.580 0 40 IFAB COc1ccc(CCNC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)cc1OC 41254613 BNUSCKSLYDXCER-UHFFFAOYSA-N 425.460 2.816 0 40 IFAB C[C@@H](C(=O)N1CCCCCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326593 VRYCKLGPGGCEPL-NYHFZMIOSA-N 432.952 2.995 0 40 IFAB O=NN(C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1 77311877 TXDRIMZKXCWKRC-GPHNJDIKSA-N 434.439 2.757 0 40 IFAB in-vitro CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1cccc(-n3cccn3)c1)n2CCO 89969077 OUDDFTPOJQHPSC-UHFFFAOYSA-N 439.541 2.912 0 40 IFAB O=C(NCc1cccs1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)CC12CCOCC2 96241141 BDWMHRMDEAYVDD-LJQANCHMSA-N 434.583 2.623 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccccc3Cl)C2=O)cc1C 101171024 GXOALLXTRNDFFN-MOPGFXCFSA-N 425.876 2.566 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 103027760 FHWPONPEAPXXHF-OKILXGFUSA-N 433.390 2.566 0 40 IFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCCN(c3ncccn3)CC2)c2ccc(Cl)cc21 105691282 LYYTUSHVHODBNK-LJQANCHMSA-N 443.891 2.507 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 113949796 TUGWHHOUZAJCEB-JOCHJYFZSA-N 444.601 2.930 0 40 IFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136749328 QEEFTXLJLJSBLO-ZCNNSNEGSA-N 437.540 2.930 0 40 IFAB Cc1cc(C)c(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c(C)c1 219149449 OTWICKPHVMUPHD-UHFFFAOYSA-N 434.543 2.806 0 40 IFAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1N(C)S(C)(=O)=O 222477575 LFPXAJXVHKMVBP-KRWDZBQOSA-N 445.541 2.552 0 40 IFAB Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1N1CCCCS1(=O)=O 222578105 DMIRFQNVIZZHKN-UHFFFAOYSA-N 432.527 2.967 0 40 IFAB COC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 223231912 LIZMSWJRDOQJGA-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)ccc1Cl 223862436 GSVVDPXKBLTFHL-UHFFFAOYSA-N 436.917 2.728 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 224048569 MGYWQTQNLCLVOY-ZDUSSCGKSA-N 444.912 2.837 0 40 IFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 225883021 HZRBFLVTUYOJNT-SNVBAGLBSA-N 428.536 2.579 0 40 IFAB S=C(NC[C@H]1CCCO1)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 225907530 BDBHIYYIWRQWDA-CQSZACIVSA-N 431.591 2.874 0 40 IFAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257319786 VUAMJEBESOKTND-KRWDZBQOSA-N 438.503 2.700 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cnn(C(C)C)c4)C[C@H]2C3)cc1 306139900 UDPWPLOCSALNGT-QZTJIDSGSA-N 435.532 2.621 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408661112 LZLOZGMWNFGKBH-JLMKVHRTSA-N 439.295 2.896 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 409056269 GNTIBKLIAJVAHC-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 409058905 ZJZXDWTWQVNAMR-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB Cn1nccc1C(=O)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643574944 CRMLZYSZMWVVLT-UHFFFAOYSA-N 426.561 2.700 0 40 IFAB CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3nc(C)cc(O)n3)C(=O)[C@@]12C 1547139540 SMWREKDWEWXUPU-QHCPKHFHSA-N 448.435 2.794 0 40 IFAB biogenic CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3ccccc3C(C)(C)C)CC2)OC[C@]1(C)O 2037885129 FCYOALWDDHIPCG-URXFXBBRSA-N 446.588 2.742 0 40 IFAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2115863 QEEFTXLJLJSBLO-AABGKKOBSA-N 437.540 2.930 0 40 IFAB biogenic COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 4767811 FOMQCSCCKRHSED-UHFFFAOYSA-N 431.489 2.918 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1 4897628 UAFGJYKFKTZMCC-QFIPXVFZSA-N 425.504 2.602 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1nc2ccccc2s1 8855769 WTDGGKCNHBEYBF-HNNXBMFYSA-N 426.523 2.699 0 40 IFAB COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc(OC)c1OC 9124098 JOSWFHDRWBQQCX-OAQYLSRUSA-N 439.468 2.736 0 40 IFAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 9355142 SGPATFKMPKNGLM-UHFFFAOYSA-N 440.569 2.883 0 40 IFAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 9612842 AOTDLYATBNHSOO-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB CCCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 9662039 VSIVIGJCILYGOI-UHFFFAOYSA-N 444.966 2.807 0 40 IFAB COc1ccccc1CNC(=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 9673476 JLEHTWWHGWPPFL-UHFFFAOYSA-N 427.526 2.883 0 40 IFAB Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c1 9713250 XMDUQXZYKAFLCX-UHFFFAOYSA-N 443.507 2.805 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9950832 LNBXBWWVJHXFNU-KRWDZBQOSA-N 434.587 2.626 0 40 IFAB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 10220703 ARAZJIBSERPCHH-UHFFFAOYSA-N 428.426 2.996 0 40 IFAB COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n(C)c12 11853009 CLIRWEOQLOHCHI-QZQOTICOSA-N 431.539 2.774 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(Cl)cc1Cl 12640974 VVDUUCYWPGYQJE-GJZGRUSLSA-N 441.311 2.718 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 12903880 JELRKUXARNKAJD-HNNXBMFYSA-N 435.933 2.578 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 12991610 QDQZUUOBARRFQZ-SDOQWUHBSA-N 445.629 2.775 0 40 IFAB CC[C@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O 13096620 CEFZGDSLFUBQKJ-HXUWFJFHSA-N 435.933 2.948 0 40 IFAB Cc1cccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)CC2)c1C 13097791 LVAWKDIKSGHDJC-DEOSSOPVSA-N 436.512 2.579 0 40 IFAB O=S(=O)(c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)nc1)N1CCOCC1 14198897 IIYXCZUITBJVPD-UHFFFAOYSA-N 439.921 2.529 0 40 IFAB COc1ccc([C@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)N2CCCCC2)cc1 14237529 GUNAIJWKOXFDBC-FQEVSTJZSA-N 442.560 2.593 0 40 IFAB COc1cc(C=O)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 16092466 WSIGFKQKSZAOEL-UHFFFAOYSA-N 428.260 2.996 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2nc(C)n3c(cc4ccsc43)c2=O)c1 19288300 XGDLJISXGKGXFH-LBPRGKRZSA-N 426.498 2.914 0 40 IFAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2ccc(=O)n(C)c2)c1 19290514 PGYIRFHMNLLOPW-UHFFFAOYSA-N 429.480 2.749 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 19342743 YBWAUHVAKHFOBT-HNNXBMFYSA-N 426.542 2.536 0 40 IFAB CCN1CCN(C(=O)CCn2cccn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527371 JGYSESNCPXEPAI-QHCPKHFHSA-N 431.540 2.885 0 40 IFAB CCOc1cc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3cnc(OC)nc3OC)C2)ccc1OC 19532121 OOKKTSMASJGLIG-PRCFCKQXSA-N 429.517 2.631 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCc4c(C)noc4C)C3)c2N)cc1 19580569 GELJUGGXBLNCNP-INIZCTEOSA-N 437.500 2.732 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19708661 UKEYVOGPTFYVPN-HXUWFJFHSA-N 441.507 2.695 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1Cl 22767211 NDHUENAZWBFPQD-KRWDZBQOSA-N 429.995 2.677 0 40 IFAB CCOC(=O)c1cc(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)cc(C(=O)OCC)c1 22930311 JZCHNPWGTIIDRC-NRFANRHFSA-N 441.528 2.871 0 40 IFAB O=C1c2cccc3cccc(c23)N1CN1CCN(Cc2cc(=O)n3ccccc3n2)CC1 22934418 JPIBZDITWRXXGE-UHFFFAOYSA-N 425.492 2.583 0 40 IFAB COc1cc(OC)cc([C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2nccn2C)c1 24021774 SAZDBVTUPVMHCG-JOCHJYFZSA-N 447.495 2.826 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCn3c(C)nc4ccccc43)C2)s1 24928485 VGBPKVMZDFCEQU-KRWDZBQOSA-N 446.598 2.932 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)cc1 27225776 RJUWGVIDRMQOMA-UHFFFAOYSA-N 428.448 2.633 0 40 IFAB CCOc1ncccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 27514210 HZKYLFWDYGIVKU-UHFFFAOYSA-N 425.457 2.798 0 40 IFAB CCOc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2O)cc1S(=O)(=O)N(C)C 31970100 FYBLNBFDOXEAPK-UHFFFAOYSA-N 433.408 2.707 0 40 IFAB O=C(OCc1nnnn1-c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 32745314 QSPFRULTVXTSMJ-UHFFFAOYSA-N 435.465 2.820 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F 36593119 VOVOQNHZKKWNCL-CXAGYDPISA-N 442.463 2.779 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](C)c3nnnn3C(C)(C)C)cc2c1 57674912 JIHWWPWPHXFFAG-HNNXBMFYSA-N 428.537 2.614 0 40 IFAB CCCCOc1ccc(-c2cc3c4nn(CC(=O)N(CC)CC)c(=O)n4ccn3n2)cc1 67290610 LDFUKQXGPNFHJH-UHFFFAOYSA-N 436.516 2.858 0 40 IFAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c2Cl)cc1 69026420 GLWDCTLHRRBWON-GOSISDBHSA-N 430.936 2.665 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)[C@H]2CCCO2)CCO1 72389322 DVSLNTREAMLXIU-ZJSXRUAMSA-N 426.488 2.558 0 40 IFAB COc1ccc(NC(=O)[C@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1Cl 80332864 LXNMOJGVFOAEKK-GOSISDBHSA-N 446.939 2.634 0 40 IFAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCN[C@@H](CCc1ccccc1)Cc1ccccc1 95943596 WAVPTRYWKSAIBB-FQEVSTJZSA-N 445.610 2.857 0 40 IFAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21 96052919 AVAURYOKNZWZGS-HXUWFJFHSA-N 427.589 2.529 0 40 IFAB COc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(C(C)=O)CCN4C(C)C)n3c2)cc1 96268093 KSZDBIODHAJNMS-HXUWFJFHSA-N 436.516 2.604 0 40 IFAB C[C@@H]1[C@@H](NC(=O)NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)CCC[C@H]1C 103439583 GIRBUONXRWSUBU-VYDXJSESSA-N 449.573 2.674 0 40 IFAB CCN(c1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1)S(=O)(=O)CC 222404063 FETXIZHZINUJIP-UHFFFAOYSA-N 444.513 2.851 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4ccc(Cl)cc4)no3)ccc21 223913606 ZSZZYCSPWWOQLT-UHFFFAOYSA-N 432.889 2.778 0 40 IFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 230059559 MAFUZSHVZRATHQ-HZPDHXFCSA-N 444.340 2.871 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)Oc2ccccc21 247761311 HMLFFJCMODNTTG-RGZWJVDOSA-N 425.529 2.699 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)s1 408544500 UHSJLXQIINSOMC-UHFFFAOYSA-N 441.336 2.841 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NC(C)C 408700969 PJTMKMPONFVWOR-UHFFFAOYSA-N 431.558 2.734 0 40 IFAB C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4ccccc4-n4ccnn4)CC3)cc2NC1=O 541431124 VSOPNMOIGLBNDR-OAHLLOKOSA-N 445.479 2.722 0 40 IFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(Br)s2)nn1 1888876411 DOVKNBZTONGTJV-FUNVUKJBSA-N 447.380 2.805 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)NCC3(N4CCSCC4)CCOCC3)cc2)co1 1888888377 INYPMSZBVKFOPO-UHFFFAOYSA-N 437.587 2.526 0 40 IFAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1 6552225 CGAWZVXORKGHTP-UHFFFAOYSA-N 430.515 2.515 0 40 IFAB aggregator O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC(=O)Nc1ccccc1F 8708700 SEKFQYVJJATMIN-UHFFFAOYSA-N 446.438 2.969 0 40 IFAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncn(CCCN3CCOCC3)c(=N)c12 8991397 NDWQPWRUQRUYEI-UHFFFAOYSA-N 445.365 2.803 0 40 IFAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1C 9156964 NNVFRJHMZZEJHA-UHFFFAOYSA-N 436.560 2.541 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)Nc1cc(C)on1 9253426 WCWRNGSARJYYTA-UHFFFAOYSA-N 449.419 2.583 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCSc2ccccc21 9338986 BTMFBDBJMGSKEI-MRXNPFEDSA-N 447.582 2.647 0 40 IFAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCc4ccccc4)C[C@]34C=C[C@H]2O4)cc1OC 9410396 WOVSHUFYFUOIMY-BBNRHVKASA-N 434.492 2.667 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 9503102 JZAUTYTZNPEBFR-CQSZACIVSA-N 449.960 2.928 0 40 IFAB CCN(C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)C1CCCCC1 9518889 GNEADBAJIKEORX-UHFFFAOYSA-N 425.529 2.864 0 40 IFAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 9664668 LIATWDYABQIHBE-KRWDZBQOSA-N 433.599 2.654 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 9986641 CPMDJFUTIYUKDJ-MZNJEOGPSA-N 431.496 2.825 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCCN(C)C)S(=O)(=O)c1ccc(C)cc1 10111372 AKSKLMYSGGRCMH-UHFFFAOYSA-N 433.574 2.657 0 40 IFAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc(OC)cc1 10133440 ILUSSDZUKTXKNH-UHFFFAOYSA-N 426.542 2.932 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11547281 KJGDMJROKAOFOZ-UHFFFAOYSA-N 441.557 2.655 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1c1ccc(OC)cc1 12685438 RPYHOAZVWPIQLN-IFMALSPDSA-N 437.544 2.524 0 40 IFAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12747159 JLVATIBGSVDIPY-UHFFFAOYSA-N 428.510 2.703 0 40 IFAB COc1ccc(CN2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)cc1F 12751693 CSHOEEHXJJULST-GOSISDBHSA-N 431.533 2.845 0 40 IFAB CC(C)C(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)CC1 12853247 VONBARAFUFMPBY-AQTBWJFISA-N 447.532 2.873 0 40 IFAB CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 12908503 UYSZJGQLRDGYBM-UHFFFAOYSA-N 430.526 2.557 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@H]1c1ccc(OC)cc1 13006975 JYPWELMUUQJECK-QFBILLFUSA-N 430.530 2.508 0 40 IFAB CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1C(F)(F)F 13010314 QVLLOXMHRPEQQV-UHFFFAOYSA-N 426.439 2.813 0 40 IFAB COc1cccc(NC(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3)NC(C)=O)CC2)c1 13084870 RBDSWWALLLWBGW-JOCHJYFZSA-N 438.528 2.555 0 40 IFAB COc1ccc(CCN2C[C@H](C(=O)NC[C@H](c3ccccc3)N(C)C)CC2=O)cc1OC 13130955 NBHBYWWKRXIEAH-NHCUHLMSSA-N 439.556 2.514 0 40 IFAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCCNC(=O)CC1CCCCC1)CC2 16849464 JPEJUKFCXWSCFB-UHFFFAOYSA-N 438.590 2.868 0 40 IFAB COc1ccccc1C(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1Cl 17099949 OJSSPMDSGXPYII-OAHLLOKOSA-N 436.295 2.971 0 40 IFAB O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343669 JXQVRBVMMRDDRI-RBUKOAKNSA-N 428.558 2.622 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CN3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738888 YRHRNYRCOGPMKR-NRFANRHFSA-N 447.583 2.719 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1OC 19755949 HXANZIAJQBBEML-LJQANCHMSA-N 438.528 2.944 0 40 IFAB CC(=O)CSc1nnc(-c2nnn(Cc3ccc(Cl)cc3)c2N)n1C[C@@H]1CCCO1 19897431 LTFDVCTWYXQHIV-HNNXBMFYSA-N 447.952 2.681 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 19899315 DGISNPUJBNAOBM-UHFFFAOYSA-N 429.586 2.650 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C(C)(C)C)cc2)cc1 20976797 LHBDAYQCCUEYJE-UHFFFAOYSA-N 446.525 2.647 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 22202418 UMCAIUBKJITIFV-QHCPKHFHSA-N 446.507 2.605 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 22285343 JYZTWGJDXDYMDD-NRFANRHFSA-N 430.526 2.930 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 22334412 PXJNVDDKDFANHP-GOSISDBHSA-N 436.530 2.746 0 40 IFAB C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C)CC1)c1ccc2c(c1)CCCC2 23057663 RMJXZOQWYHHCNZ-NHCUHLMSSA-N 440.632 2.761 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc23)N2CCOCC2)cc1 23107501 LYCCUFNTWWNLNY-QHCPKHFHSA-N 448.523 2.680 0 40 IFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2c(NC(=O)C3CC3)sc(C)c2C)CC1 25444232 FCIXYQYVSXEPMD-UHFFFAOYSA-N 436.530 2.672 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc(C(C)=O)c2)cc1C 28210014 GPPLJVLFIBUDBG-GOSISDBHSA-N 430.482 2.525 0 40 IFAB COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 30898609 BWOWGRBNWRJEKW-UHFFFAOYSA-N 433.302 2.821 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 31773807 YHPSDJWBPKATFP-RBUKOAKNSA-N 434.945 2.671 0 40 IFAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1nc(-c2cccnc2)no1 32876086 JKWCSJSXJUWXMO-LLVKDONJSA-N 436.877 2.953 0 40 IFAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35375001 KBYNEFDHULKTTC-HAUMXSRVSA-N 434.334 2.624 0 40 IFAB O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1nc(-c2ccccc2Cl)no1 38486755 JAYJRJRDIMEUSC-UHFFFAOYSA-N 437.822 2.927 0 40 IFAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)c(F)c1)CC(=O)N2 40390596 YXXVEYCJSOKWTF-OLZOCXBDSA-N 431.443 2.882 0 40 IFAB CCN(CC)[C@H](CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)c1ccccc1 48302623 MNXXLNRTUYOERM-JOCHJYFZSA-N 432.524 2.823 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 54360672 HBSIGFMAIRSOTN-UFZGOCBLSA-N 449.532 2.921 0 40 IFAB Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4nc(C)sc4c3)ncn2)n1 56903921 MCBWUONKRJZRJT-UHFFFAOYSA-N 443.558 2.588 0 40 IFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCCCc1nc(-c2ccncc2)cs1 65505257 RGXHNRNFCSUPSD-UHFFFAOYSA-N 441.557 2.899 0 40 IFAB CCc1cc(C(=O)N2CCC[C@@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)no1 72344709 XZTLYFSHLUCBLR-MRXNPFEDSA-N 436.516 2.528 0 40 IFAB CCOC(=O)[C@](C)(Cc1ccccc1)NC(=O)CCNC(=O)N(C)Cc1ccccc1 78878612 QPEOHKBPOKPULA-DEOSSOPVSA-N 425.529 2.899 0 40 IFAB C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 95440474 JMTUGGAQWNWTJQ-VXGBXAGGSA-N 441.903 2.578 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(Cl)nc(C4CC4)n3)CC2)cc1 95453240 NCGBZYIMABRFAG-UHFFFAOYSA-N 435.937 2.510 0 40 IFAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 95461970 OKCQQZQQPMZHRY-LJQANCHMSA-N 425.572 2.861 0 40 IFAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)N2CCOCC2)C1 102340378 YISSZKJLHMMHPU-LYHUEXMXSA-N 444.553 2.807 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cccc(I)c1 102804053 VCWRXYGZYQWZOW-OKILXGFUSA-N 426.254 2.795 0 40 IFAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 219222104 AZUGRSOUFPGGPX-UHFFFAOYSA-N 426.498 2.993 0 40 IFAB CSc1cccc(N(CC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)c1 220076147 KLCORLGAMXVHSG-UHFFFAOYSA-N 446.554 2.849 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220328573 PBSSYVGFMJBDRR-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(Cl)cc1F 223467028 ITFHUBAUWJMQKQ-UHFFFAOYSA-N 442.896 2.690 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3cc(C)ccc3C)C2)cc1 224014208 XGFLITLUZCDLQD-LJQANCHMSA-N 446.569 2.908 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1S(=O)(=O)N1CCOCC1 224946941 VOLFNAUBPZFQPG-UHFFFAOYSA-N 442.588 2.620 0 40 IFAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225275120 BFFMOJWNCYTCAV-MOPGFXCFSA-N 432.542 2.804 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 229654207 NWANDGFJGLFONL-MHORFTMASA-N 428.275 2.994 0 40 IFAB O=C(CN1CCCCS1(=O)=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257210223 BTRLYSZXJQXTBK-QGZVFWFLSA-N 435.521 2.536 0 40 IFAB O=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2F)CCOCC1 257333127 YAGSDTQCXCIGBY-GOSISDBHSA-N 438.503 2.634 0 40 IFAB C[C@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)CCC2 260917308 CYAPSQHRZRWRSW-HOTGVXAUSA-N 444.553 2.978 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@]2(CCn3ncnc3[C@H]2NC(=O)c2cccs2)C1 306141729 WEXLLOUYVJHNTK-OFNKIYASSA-N 435.553 2.984 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 408601773 HEYITZILWRFXHR-MRXNPFEDSA-N 434.514 2.512 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1 408635949 KHBJZILGJFFGAD-UHFFFAOYSA-N 447.340 2.613 0 40 IFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 522513071 AUZSPIVHIHSYSL-OFNKIYASSA-N 439.512 2.710 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 636348874 KKAGQESAUYNBCQ-GOSISDBHSA-N 445.516 2.871 0 40 IFAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)C1(c2cccc(C)c2)CCOCC1 1848352601 WQGLNFIVPBUQHL-XMMPIXPASA-N 449.595 2.545 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(F)cc2)cc1 812355 HURTYKMCFNUMJD-UHFFFAOYSA-N 429.473 2.741 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 813584 HHARLDMTFWBZQF-UHFFFAOYSA-N 430.404 2.517 0 40 IFAB COCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 3265047 MULZMAAEXYKMCM-UHFFFAOYSA-N 428.510 2.806 0 40 IFAB COCCNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6239051 AONZNWZCUBSGSZ-UHFFFAOYSA-N 439.537 2.822 0 40 IFAB COc1ccc(C(=O)NCCn2ncc3c(NC(C)C)nc(SC)nc32)cc1OC 8941354 YOJWJQSBHFAYJQ-UHFFFAOYSA-N 430.534 2.816 0 40 IFAB O=C(CNc1cccc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9121284 WOFQETAWKIJYJM-UHFFFAOYSA-N 425.510 2.911 0 40 IFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 9445447 XYVKTIQKLRBHCA-UHFFFAOYSA-N 449.488 2.643 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 9491492 UPJJUVAPMMRMPD-UHFFFAOYSA-N 436.511 2.958 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(-n3cccn3)cc2)NC(=O)N[C@H]1c1ccccc1 9797965 FROWACBPRIUUGN-NRFANRHFSA-N 446.463 2.900 0 40 IFAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 9953503 RBZZDKLIUZPCFZ-OAHLLOKOSA-N 432.498 2.558 0 40 IFAB CCOC(=O)CN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1 10203465 JQSBVEIONYUUSM-UHFFFAOYSA-N 444.285 2.755 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11906929 VJQMVDLPNBCPNY-MRXNPFEDSA-N 426.498 2.874 0 40 IFAB COc1cc(C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc(OC)c1OC 12443176 SUJYHMREGDJWQK-UHFFFAOYSA-N 449.467 2.626 0 40 IFAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12567919 XAYMJJRYVDETJC-UHFFFAOYSA-N 428.466 2.759 0 40 IFAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)N1CCCCCC1 12911507 UEGMVYDDZAQTQY-INIZCTEOSA-N 440.537 2.561 0 40 IFAB CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1OC(F)(F)F 13013331 XPFMSTXKYWDHOY-UHFFFAOYSA-N 442.438 2.693 0 40 IFAB COc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)CC2)c1 13041312 QRXQRJCKMQAJCZ-UHFFFAOYSA-N 431.558 2.687 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12 13084055 FUQAZBVOZPACID-UHFFFAOYSA-N 441.488 2.643 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(=O)c2ccc(Br)cc2o1 15859897 QDADSJGLZDZOHA-HNNXBMFYSA-N 447.285 2.952 0 40 IFAB COc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1S(=O)(=O)N(C)C 16048519 OYFYSBROERXVHM-UHFFFAOYSA-N 449.348 2.509 0 40 IFAB CCOC(=O)c1nc(C(=O)OCC)c(C(=O)OCC)c(-c2ccncc2)c1C(=O)OCC 16682983 GWDJLNHAQGZTDN-UHFFFAOYSA-N 444.440 2.850 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)CCc2ccccc2)CC3)cc1 17050833 AZVJBVOMNRFGJF-UHFFFAOYSA-N 428.554 2.967 0 40 IFAB Cc1nc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccc(F)cc1 18047227 HBQYJCAPOVHXMI-HXUWFJFHSA-N 427.455 2.657 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 19591849 PSQNVPVRSCAGDE-SANMLTNESA-N 445.519 2.957 0 40 IFAB Cc1nc2ccc(C(=O)N3CCC(c4ccc(C(=O)N5CCN(C)CC5)cn4)CC3)cc2[nH]1 19705812 YEZGUIXWRDZZFJ-UHFFFAOYSA-N 446.555 2.674 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19743854 WELMFOQSGUTHSL-KRWDZBQOSA-N 432.484 2.586 0 40 IFAB Cc1ccc2c(CC(=O)N3CC[C@H](c4ncc(C(=O)N5CCOCC5)c(C)n4)C3)coc2c1 19757787 CXQALEHDTNMMJM-SFHVURJKSA-N 448.523 2.871 0 40 IFAB Cn1nccc1C(=O)N1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759663 KMTDUGOTBDYCEU-LJQANCHMSA-N 448.508 2.891 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N[C@H](C(=O)O)c3ccccc3)c(=O)oc2c1OC 20426565 AERCIJASRHZSIZ-IBGZPJMESA-N 425.437 2.993 0 40 IFAB biogenic O=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)N1c1ccc(F)cc1 20577198 AVLMOMXENPPIME-QHCPKHFHSA-N 436.464 2.987 0 40 IFAB Cc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 23246418 DAQUMUYODUFFMS-UHFFFAOYSA-N 432.590 2.814 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1 24731128 KKLCKAVAPQNWTF-FQEVSTJZSA-N 426.542 2.635 0 40 IFAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 30693252 YIYMZRRFRQQVLJ-QGZVFWFLSA-N 431.533 2.892 0 40 IFAB CCS(=O)(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 32883853 IMAVQRQFFYZCPQ-UHFFFAOYSA-N 442.584 2.969 0 40 IFAB O=C(CN1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1)N1CCCCC1 33298027 VAXQITLTSPWEAJ-UHFFFAOYSA-N 437.569 2.857 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NCCc1cccs1 35361535 IWJKCKXZGQABSR-UHFFFAOYSA-N 443.594 2.567 0 40 IFAB Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)ccc1F 40120437 IWTYNZMUGUMOGN-CQSZACIVSA-N 438.481 2.525 0 40 IFAB Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)no1 70634983 MJVPBSMABDYYFX-UHFFFAOYSA-N 433.471 2.589 0 40 IFAB O=C(NC1CCCCC1)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 72306810 QXBXYKRNCQDAOK-UHFFFAOYSA-N 449.342 2.672 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1 72337158 PBNKXGXWOXWUGO-UHFFFAOYSA-N 446.573 2.507 0 40 IFAB O=C(c1cccnc1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348005 YKWCFESFAIOZGB-FQEVSTJZSA-N 430.512 2.790 0 40 IFAB O=C(CS(=O)(=O)Cc1ccc(Br)cc1)NC[C@H](CCO)c1ccccc1 95410267 YAXZGOYMKVPXDE-KRWDZBQOSA-N 440.359 2.646 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)ccc12 96113906 BKPQSPSXXZZMBL-IBGZPJMESA-N 447.447 2.676 0 40 IFAB biogenic O=C(CCc1ccc2c(c1)OCO2)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 96926626 YYDKAJNRVXYEJV-WOJGMQOQSA-N 425.466 2.596 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@H]3C2=O)cc1 101277636 QXEPDMVRVKQQJS-RTBURBONSA-N 432.440 2.855 0 40 IFAB Cn1cccc1C(=O)NC(=O)COC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101662559 YCZHAUGHTAFKLI-RCRDTURJSA-N 437.334 2.949 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102095717 DYBDTIJRCPYMPG-VISVJLQSSA-N 435.451 2.976 0 40 IFAB COc1cc([C@@H]2N=C(N3CCc4ccccc43)Nc3nc(C)cc(=O)n32)cc(OC)c1O 104279992 UZXJNXXBZRGFTO-OAQYLSRUSA-N 433.468 2.666 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)NCc1ccccc1 111881358 GWLJVEFZIAWBIQ-OAHLLOKOSA-N 431.286 2.662 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 138918980 FZZSWNILOLJCKR-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 218790670 CLOZLINQTORLIV-NRFANRHFSA-N 432.542 2.751 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOCc3ccccc3)CC2)c1 224349601 OJDUMFAGGWFDFZ-UHFFFAOYSA-N 430.570 2.870 0 40 IFAB O=C(O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224824116 ACZDEULJSLZJNF-UHFFFAOYSA-N 428.260 2.500 0 40 IFAB CCN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 226053927 DYPMSFGLRAENDO-UHFFFAOYSA-N 429.542 2.501 0 40 IFAB Cc1ccc(OCCNC(=O)Cn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1 408565347 BTJATWDJEBCGTP-UHFFFAOYSA-N 433.508 2.950 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408662865 NYGPFZSIXUGCRB-YKTUVVHCSA-N 446.459 2.802 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccncc2)C1 408700296 CTBYDAWKYGDDKF-LJQANCHMSA-N 431.558 2.931 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(OCCN(C)C)cc1)C=C2 524730176 YMLSFIJCERLDTO-UHFFFAOYSA-N 439.512 2.638 0 40 IFAB biogenic CCOCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 1665491078 BAJVOWSGFDEFQY-IBGZPJMESA-N 429.498 2.756 0 40 IFAB Cc1ccc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)cc1 2056226320 PDKZJZDGRBRFMR-WIOPSUGQSA-N 434.540 2.627 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1 2056226402 QGYULFNHUCNLCM-JTHBVZDNSA-N 432.467 2.650 0 40 IFAB CCOC(=O)NC(=S)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 2182566 OZATXAUCNZGURV-UHFFFAOYSA-N 429.520 2.882 0 40 IFAB NC(=O)CSc1nnc(CSc2ncccn2)n1-c1cccc(C(F)(F)F)c1 2706223 HUKIWTLMUNCGTN-UHFFFAOYSA-N 426.449 2.946 0 40 IFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 3195299 FNFQCEGHMNKYIA-OAQYLSRUSA-N 446.459 2.954 0 40 IFAB biogenic CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1OCC 3301642 XTOSXICPWIDIQI-INIZCTEOSA-N 440.496 2.735 0 40 IFAB O=C(C[S@@](=O)Cc1ccco1)NC/C=C/COc1cc(CN2CCCCC2)ccn1 3873059 KMZQAVXSMUKBPD-WULZAJPDSA-N 431.558 2.661 0 40 IFAB in-vitro COC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 5159123 JMNWERPYFXGTQI-FQEVSTJZSA-N 442.512 2.991 0 40 IFAB CN(Cc1ccccc1)Cc1cn([C@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@H]23)nn1 5412480 UWAQXQZIYYYCDD-CJRSTVEYSA-N 425.577 2.787 0 40 IFAB biogenic,in-vitro COc1cc2cc(CN(CCO)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2cc1OC 6283105 LJWVCHMZICXNFI-HNNXBMFYSA-N 441.553 2.975 0 40 IFAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1 8598997 VTTKTTMRMZDZQC-UHFFFAOYSA-N 425.514 2.967 0 40 IFAB Cc1ccc(N/C(NCCc2cnc[nH]2)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 8775442 VJADFFUGDMEPIZ-MRCUWXFGSA-N 444.495 2.765 0 40 IFAB CCOCCCn1c(-c2ccc3ccccc3c2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9160437 WZJZUWLLUSJTCY-UHFFFAOYSA-N 431.496 2.933 0 40 IFAB COc1cc(Br)c(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 9337133 YEANDVPNCSQBSJ-UHFFFAOYSA-N 432.274 2.675 0 40 IFAB O=C(COc1ccc(-c2nnco2)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9580738 KPOZKAAQPGVGNS-UHFFFAOYSA-N 428.470 2.539 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 9646566 XFTSFKNYWSRJJS-UHFFFAOYSA-N 446.312 2.743 0 40 IFAB N=C(Nc1ccc(F)cc1)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1 9935221 LXJHHLHTMLUJJC-UHFFFAOYSA-N 437.464 2.636 0 40 IFAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 10077848 PFWSPAOIRNFQAB-UHFFFAOYSA-N 439.493 2.912 0 40 IFAB CCOc1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 10448960 QTSDANKRLXUKOA-UHFFFAOYSA-N 434.514 2.677 0 40 IFAB Nn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1C(F)(F)F 11239745 SVHYCUZWFNBNRK-LLVKDONJSA-N 433.843 2.978 0 40 IFAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 11978290 BJPVYBHTCTUCGU-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(Cl)c1 12360191 FPELEBCSGBUHKE-UHFFFAOYSA-N 425.872 2.766 0 40 IFAB biogenic,in-vitro C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cncn2)cc1 12891542 KSZOGWGCLQGFJB-INIZCTEOSA-N 425.514 2.543 0 40 IFAB O=C(NCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12922754 XHWBASMOWNHQRX-UHFFFAOYSA-N 443.903 2.877 0 40 IFAB CC[C@H](C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12941731 ATLHVUAVXDZXAN-HNNXBMFYSA-N 446.573 2.677 0 40 IFAB Cc1c(O)ccc2c(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(=O)oc12 13004658 FGYLTLWKQUNCEM-UHFFFAOYSA-N 446.500 2.843 0 40 IFAB CCn1c(=O)c(C(=O)CN2CCC[C@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O 14240912 HRLSOFHTHVEXSR-KRWDZBQOSA-N 438.553 2.742 0 40 IFAB CSc1nc2nc(C)c(CC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c(C)n2n1 15826229 BJDNIGPWYIOPEZ-AWEZNQCLSA-N 436.545 2.806 0 40 IFAB Cc1onc(-c2ccncc2)c1C(=O)NCCn1nc2c(C)cc3ccccc3n2c1=O 19127006 ZIBHTHLYWPFLMA-UHFFFAOYSA-N 428.452 2.746 0 40 IFAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)N1CCN2CCC[C@@H]2C1 19369827 HAHMRWMEWTYWNY-OAQYLSRUSA-N 441.535 2.808 0 40 IFAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(I)cn1 19637634 SLHZFILVCFWDBU-UHFFFAOYSA-N 443.266 2.830 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)cc1 19647824 ZYFXMZIMPQIGFU-OWQMCBFZSA-N 448.585 2.780 0 40 IFAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3C)CC1)C2=O 19699508 UFAOSBLOAQAGFY-UHFFFAOYSA-N 428.533 2.502 0 40 IFAB COCCN1CC=CCC2(CCN(Cc3cnc(N4CCC(C)CC4)nc3)CC2)C1=O 19742697 BUPPFNYJAIYPGR-UHFFFAOYSA-N 427.593 2.730 0 40 IFAB CN(C)CC[C@H]1CCCCN1C(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O 19751367 CXAZMBFLWPCYBM-HXUWFJFHSA-N 428.508 2.573 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Br)ccc1-n1cnnn1 20721726 SZTFVKGWAVGVDP-UHFFFAOYSA-N 431.250 2.644 0 40 IFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(CN2C(=O)CSC2=O)c1 23876723 YCOOFMDCSNMZKJ-UHFFFAOYSA-N 431.558 2.647 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 24243311 CAMHFKUBVZXZMR-UHFFFAOYSA-N 430.526 2.507 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 26409230 ULEWKZOTSLCJFO-OXJNMPFZSA-N 448.541 2.810 0 40 IFAB CCCn1nc(C(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1=O 32747927 HFAHKMNQVRKIAC-UHFFFAOYSA-N 431.540 2.705 0 40 IFAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCn2ncc(=O)c3ccccc32)cc1 32820938 MBAJYGDICNIBMP-HXUWFJFHSA-N 437.496 2.994 0 40 IFAB CN(C)CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 33406674 NTLVVOOHFSLTTE-UHFFFAOYSA-N 426.336 2.541 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1 34223782 XSWGRGGVKUEBSE-LJQANCHMSA-N 434.514 2.823 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 35833185 CKQHOCFSFLTMIJ-CROMWVBPSA-N 437.883 2.780 0 40 IFAB Cc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)c(Cl)c1 49400280 OZLPQZVJTDJHBS-GJZGRUSLSA-N 428.924 2.974 0 40 IFAB CCCN(CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1nc2ccsc2c(=O)[nH]1 57940770 XLJQXOVDFNNFNI-SOUVJXGZSA-N 433.578 2.847 0 40 IFAB CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 61939560 DMQBZAXAYVVXSB-UHFFFAOYSA-N 445.541 2.515 0 40 IFAB O=C(NCCn1ccc2cc(Br)ccc21)c1cc(F)ccc1-n1cnnn1 80332916 SXQSOGAONRAIRE-UHFFFAOYSA-N 429.253 2.949 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)c1 96103760 UFFKRHKTBPUYRH-AWEZNQCLSA-N 436.434 2.957 0 40 IFAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCC(C)CC3)n1C)CC2 96116139 MFWOEXLARGYDJG-UHFFFAOYSA-N 441.572 2.898 0 40 IFAB biogenic COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1OC 103514092 BNNMIWVCBDLINX-YCZSINBZSA-N 445.475 2.609 0 40 IFAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218205000 ILUHTTGVUNWCNK-JJRVBVJISA-N 433.368 2.572 0 40 IFAB COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222557072 SPYVRAZAPGQLOY-UHFFFAOYSA-N 447.557 2.556 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 223130135 CVDWINXPOYYBFC-VXKWHMMOSA-N 434.569 2.572 0 40 IFAB COC(=O)c1c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)sc2c1CCCC2 223715016 CFZUVZJGKJMMQN-UHFFFAOYSA-N 429.541 2.618 0 40 IFAB CCCC[C@H](CC)CNC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 225118171 XABOYZBYDKLZQQ-SFHVURJKSA-N 440.606 2.981 0 40 IFAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225202175 VSHOHEOMNNCLII-CYBMUJFWSA-N 448.526 2.545 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)CC1 226046406 XORRXGBKHDQKEY-UHFFFAOYSA-N 438.575 2.861 0 40 IFAB O=C(NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1)c1ccc2nc(C(F)(F)F)[nH]c2c1 257271422 MYGWHLSOJUHFIY-IBGZPJMESA-N 437.397 2.877 0 40 IFAB O=C1NCCN(C(=O)COc2ccc(F)cc2F)[C@@H]1Cc1cccc(-c2cccnc2)c1 257295972 RAQNAGGFCMZVFI-OAQYLSRUSA-N 437.446 2.975 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NC1CCCCCCC1 408596877 SZYNFYOZFKSRHT-UHFFFAOYSA-N 444.981 2.969 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 408617377 CSMOFPOJIKLCJS-UHFFFAOYSA-N 432.498 2.853 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408666181 SKPRWCZKJSABPJ-AQQMGXQTSA-N 439.295 2.895 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCO2 408704924 VSBNIEFKLYHVEZ-UHFFFAOYSA-N 436.555 2.870 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709674 FENADHLDDZWZKY-QAPCUYQASA-N 437.496 2.979 0 40 IFAB COCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)C1=O 409137537 VTCWOQADQMTHTA-KPKJPENVSA-N 446.275 2.604 0 40 IFAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(F)cc1 409209759 HVRYPFGYFLIZNE-UHFFFAOYSA-N 427.505 2.969 0 40 IFAB Cc1cc(N2CCN(Cc3cccc(Br)c3)CC2)nc(N2CCOCC2)n1 1889138810 MKNZZNQPCJYDFA-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 2322887 UYYRWVVGXUSSQE-UHFFFAOYSA-N 433.390 2.706 0 40 IFAB COc1ccc2cc([C@@H](C)C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1 2785427 BTNCAPUGLXFYAU-CQSZACIVSA-N 442.493 2.781 0 40 IFAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCc4ccccc4C3)c(=O)[nH]c2c1 2952098 WORIVCRRWNDKGO-UHFFFAOYSA-N 449.507 2.622 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1N1CCCCC1 8860859 REXZZNRDRRFJNH-KRWDZBQOSA-N 440.569 2.763 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)N2CCCC2)cc1 8895475 PVALIBQTMCQQLG-JOCHJYFZSA-N 443.569 2.802 0 40 IFAB C[C@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)N1CCCC1 8900587 RPVJIYNMACKPHM-HNNXBMFYSA-N 431.514 2.681 0 40 IFAB COC(=O)c1cccc(OC[C@H](O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)c1 9126571 KCAGYINEGRRXAN-MRXNPFEDSA-N 425.428 2.955 0 40 IFAB Cc1cnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)s1 9134352 XZOAHGBDFWTBHN-OAHLLOKOSA-N 448.570 2.618 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 9412634 SRWKPMMKHQLUTD-UHFFFAOYSA-N 444.373 2.574 0 40 IFAB Cc1c(C(=O)O)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CCN1CCCCC1 9435256 XFQGAWWKRHGWPF-UHFFFAOYSA-N 427.526 2.766 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 9499239 VLYWEHNYYXRTLJ-INIZCTEOSA-N 436.512 2.807 0 40 IFAB CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 9670000 RDXADCOMLIOFHK-NSHDSACASA-N 435.527 2.818 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 9789606 UDVNLWASYOQGFO-UHFFFAOYSA-N 441.509 2.743 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCc1ccccc1 12233069 FUHOKFUVUHUIIE-GOSISDBHSA-N 431.521 2.978 0 40 IFAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 12692314 SZRSFSBFNZSHFC-PMACEKPBSA-N 433.464 2.837 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)NCCc3cccs3)CC2)cc1 12693823 KLGPSTSQUQRWQZ-GOSISDBHSA-N 435.615 2.500 0 40 IFAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12866846 LAZIENUAHAUXGN-KBPBESRZSA-N 430.455 2.988 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N(C)C)CC2)cc1 12910988 YDAWSAPDTOIANP-LJQANCHMSA-N 435.615 2.876 0 40 IFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nn1cnc2ccccc2c1=O 14604667 HOUPECAMOFDALW-UHFFFAOYSA-N 426.432 2.696 0 40 IFAB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 15956896 NBMWEVOYVRVNLE-PBQROFAYSA-N 431.492 2.689 0 40 IFAB biogenic Cn1nc(-c2ccccc2F)cc1CN1CCC(NC(=O)CN2CCCCCC2=O)CC1 19288937 UHQQSQIBMWUWQN-UHFFFAOYSA-N 441.551 2.709 0 40 IFAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527410 SSALSVQMHIWYRV-PMACEKPBSA-N 439.581 2.743 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1ccc(F)cc1)C2 19708854 NZQUKZPXUMVERV-QGZVFWFLSA-N 425.508 2.511 0 40 IFAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2C(=O)c2cnccn2)cc1 19766504 ITACLHIMVBZJHI-NRFANRHFSA-N 446.511 2.881 0 40 IFAB COCCCN1CN=C2N[C@H](c3ccc(OC)cc3OC)n3c(nc4ccccc43)N2C1 19960354 SQWQLPLDEFLRNG-NRFANRHFSA-N 436.516 2.633 0 40 IFAB O=C(CN1CCOCC1)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 21422113 SUXCIABTPUMOTN-UHFFFAOYSA-N 445.567 2.516 0 40 IFAB O=C(CN1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1)Nc1cccc(F)c1 22919949 GVDIDAKHSUKKSU-UHFFFAOYSA-N 442.510 2.712 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 23145034 OSLRQYAYGFBEOH-UHFFFAOYSA-N 435.550 2.796 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 23927507 DMBQECOXBRIKRO-UHFFFAOYSA-N 446.479 2.606 0 40 IFAB O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2nccn2)cc1 32928152 TVQWFWRGUOGDEO-UHFFFAOYSA-N 439.273 2.769 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38855675 NYMZKFFEFDGROB-YWZLYKJASA-N 445.541 2.771 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4c(c3)OCCCO4)CC2)s1 40103829 MUYLEJZYFKQJJP-UHFFFAOYSA-N 437.543 2.756 0 40 IFAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCc2ccc(F)cc2)c1=O 57490821 YSJQQSOJEZGLNB-UHFFFAOYSA-N 439.468 2.678 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(-c3cccc(Cl)c3)nc(CC)cc2=O)C1 57527558 NRXIEEFSKDUXST-MRXNPFEDSA-N 431.920 2.928 0 40 IFAB C[C@@H](Nc1cccc2c1CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 57788825 VVOPUXPMYJRHIJ-GOSISDBHSA-N 427.570 2.899 0 40 IFAB Cc1nnc([C@@H](C)S(=O)(=O)Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)o1 58006607 KWEMIJMZLLYBOW-SSDOTTSWSA-N 436.803 2.702 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204842 KDPMQIVTNQPELQ-QFIPXVFZSA-N 438.503 2.737 0 40 IFAB CCN1CCN(C(=O)Cc2nnc(N)s2)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351810 GWYRWGVFCCQRSB-IBGZPJMESA-N 435.553 2.632 0 40 IFAB CCN(CC)CCNC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2CCCC3)cc1 72373400 YQYBICBMORGMKC-UHFFFAOYSA-N 437.588 2.931 0 40 IFAB Cc1cc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n([C@H]2CCS(=O)(=O)C2)n1 72404601 KBNRIPCPWJOTPX-SFHVURJKSA-N 427.530 2.535 0 40 IFAB CCN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Cc3cccc(OC)c3)CC[C@@H]12 96145315 FYNLLMVCPASPGC-RCZVLFRGSA-N 436.556 2.974 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4oc3=O)nn2c(O)c1C 100138793 LORYHWMMCAROKR-SFHVURJKSA-N 433.468 2.849 0 40 IFAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 102321281 SZRSFSBFNZSHFC-BGYRXZFFSA-N 433.464 2.837 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 103966928 BTAPIGPJDGLGEM-JTDSTZFVSA-N 427.998 2.587 0 40 IFAB CCOc1ccc(N([C@@H](CC)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 220678213 XMDRUPGIQVQWQT-NRFANRHFSA-N 433.574 2.883 0 40 IFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 222983514 IMOFTXMOESAJLI-UHFFFAOYSA-N 446.481 2.635 0 40 IFAB CCc1ccc(OCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 223686312 VOPMUSBDRUUFDI-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@H](C)c1ccccc1C 223716121 HACOJILYOMJMNQ-GOSISDBHSA-N 446.569 2.835 0 40 IFAB CCc1ccccc1N(CCCC(=O)NCCOc1ccccc1OC)S(C)(=O)=O 224660860 GKQKEHHBXKGJBO-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 238925936 UQGGIRGSJMNNRB-HNNXBMFYSA-N 444.387 2.584 0 40 IFAB COc1ccc(CC(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1OC 245020844 MJZDRWYNLLBDEP-UHFFFAOYSA-N 437.496 2.706 0 40 IFAB CN(C)c1ncc(CN2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)n(C)n3)C2)cn1 257242928 IETMNNNPWXZMLT-JOCHJYFZSA-N 440.523 2.610 0 40 IFAB CC1(C(=O)N2C[C@H](c3ccc(F)cc3F)[C@H]3CNCC[C@H]32)CCN(c2ncccn2)CC1 257245862 IRJKEBKJGXETFY-SFHLNBCPSA-N 441.526 2.965 0 40 IFAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408589704 FDFLTGRWVBPOQN-KRWDZBQOSA-N 432.542 2.984 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408670813 XGUYTIZVBDNTGP-PRNVEUERSA-N 438.402 2.607 0 40 IFAB COC(=O)C(=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1)C(=O)OC 409067632 GRFYZASPCMWRKL-UHFFFAOYSA-N 440.857 2.846 0 40 IFAB COc1cccc(C[C@H](C(=O)NCc2ccc(Br)s2)n2nnnc2C)c1 515158952 YOIPLIQTFAYFIQ-OAHLLOKOSA-N 436.335 2.914 0 40 IFAB COC(=O)c1cn([C@H](CC(=O)O)c2ccc(OC(C)C)c(OC)c2)cc2c(O)nnc1-2 524733852 VYNBTXQQQUVQBU-OAHLLOKOSA-N 429.429 2.735 0 40 IFAB Cc1n[nH]c(C)c1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 524733855 VZKYNGQGBPSALE-QFIPXVFZSA-N 429.480 2.848 0 40 IFAB CC(C)CC(=O)NC[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccc(F)c1)CC3 585110200 WJVHIZRDPCGXAL-GOSISDBHSA-N 440.519 2.621 0 40 IFAB COc1ccccc1Cc1nnc(S[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)o1 589275768 NBKFNAHNGVLUFH-CRAIPNDOSA-N 432.546 2.510 0 40 IFAB O=C1NCCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)[C@H]1c1ccccc1F 680128236 CGVNEMSOVTUHAQ-NRFANRHFSA-N 434.471 2.575 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1cccs1 1090790 PIDTVBMVDNBPOI-QMJOVRGKSA-N 426.519 2.565 0 40 IFAB O=C1N(c2ccccc2)C(O)=N[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F 2492467 IHZVONMKXZMFKW-OAHLLOKOSA-N 433.795 2.838 0 40 IFAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nnc(C)c(=O)n1N)oc1ccccc12 2618822 SUSSHZMKAKKLSG-LLVKDONJSA-N 425.470 2.688 0 40 IFAB CCN(CC)CCCNC(=S)N(CCN(C)C)Cc1cc2cc(OC)ccc2[nH]c1=O 6193074 PSGSZSQTSMLSQN-UHFFFAOYSA-N 447.649 2.507 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 8726661 VQKMKHVRXPKMMK-UHFFFAOYSA-N 443.447 2.649 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCOC 8791835 OMMMDYIFLSTSLG-ZWGUXKJGSA-N 447.601 2.719 0 40 IFAB biogenic CCOC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21 9259533 FXFHSXNAKXRCAF-WOJGMQOQSA-N 441.509 2.863 0 40 IFAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9462575 DQEYTLQUFZOHQU-MKXGPGLRSA-N 438.846 2.832 0 40 IFAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NC1CCCCC1 9519712 DDEBHACWGKEUBL-UHFFFAOYSA-N 445.585 2.876 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O 9579052 WIYDWXIGYQZYDP-FYSMJZIKSA-N 440.544 2.566 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1 9725780 MDAYAOCVTYBSTM-UHFFFAOYSA-N 438.477 2.660 0 40 IFAB COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(NC(C)=O)ccc21 9809193 KFDWSTFSVJYSCQ-ATJXCDBQSA-N 447.900 2.994 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCCSc2ccccc21 9882806 BJUANAGLCHUPRO-UHFFFAOYSA-N 438.596 2.841 0 40 IFAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)CC1 9939278 QGPWDXWANNDABS-OAHLLOKOSA-N 440.500 2.685 0 40 IFAB CS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1 10252873 SKQCPRVAISYICA-UHFFFAOYSA-N 433.530 2.730 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3nnc4ccccn34)c2)cc1 11547058 BRFJKGCCGQXBJT-UHFFFAOYSA-N 435.509 2.811 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c1 11748724 VINNWAPULDCPSE-OAHLLOKOSA-N 433.530 2.570 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 11858290 NTHHUIWKEJVCPJ-UHFFFAOYSA-N 438.527 2.650 0 40 IFAB COCCCN1C[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12221128 AFSNSSHKWFCRGN-YLJYHZDGSA-N 437.544 2.553 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1OC 12237688 HIBBPYZPMQKJAO-UHFFFAOYSA-N 439.859 2.892 0 40 IFAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O 12753533 DLGOVOFIWNHVBZ-HOTGVXAUSA-N 426.517 2.839 0 40 IFAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc(F)c3)cc2)C1 12921465 IQFNKOUMCIJCIF-INIZCTEOSA-N 434.489 2.581 0 40 IFAB O=C(CSc1nnnn1-c1cccc(Cl)c1)N[C@H]1CCN(Cc2ccccc2)C1 12980160 BGKMWDXXVUXLJG-KRWDZBQOSA-N 428.949 2.799 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 14022232 FUUSMKYSZXZWCT-QFIPXVFZSA-N 445.560 2.760 0 40 IFAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCCn2c(=O)oc3ccccc32)c1C 16145624 XZCJZNDUGBNJNL-UHFFFAOYSA-N 431.514 2.881 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccccc1 16682411 DJXDJULZVXVKIT-YMFQVDJJSA-N 435.549 2.754 0 40 IFAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19079372 IUEKRUPGPVSHKL-UHFFFAOYSA-N 434.568 2.560 0 40 IFAB CN1C[C@H](C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)CC1=O 19695315 JNSKCVHAZYGONP-MRXNPFEDSA-N 425.508 2.533 0 40 IFAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 19703025 IQYZTHKSZCMLRY-INIZCTEOSA-N 431.539 2.760 0 40 IFAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19739436 NEDHJKLVPVPJRT-MRXNPFEDSA-N 432.521 2.543 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(Br)c2)ccc1OC 20024755 JHOQXCWGGUGQMV-LLVKDONJSA-N 427.320 2.857 0 40 IFAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(OC)c1OC 20568895 GIJXYOBFDBVRFW-IBGZPJMESA-N 427.526 2.822 0 40 IFAB Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 20756826 ZGDFZFFBGLHSCI-UHFFFAOYSA-N 428.529 2.586 0 40 IFAB biogenic COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)C(F)(F)F)c1 21576502 MPFRUIPJAMEUCM-UHFFFAOYSA-N 435.402 2.936 0 40 IFAB COc1ccc(CN2CCN(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1 23805675 YJDSBHFIDCKQGB-NRFANRHFSA-N 444.601 2.657 0 40 IFAB CN(C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)[C@@H]1CCCc2ccccc21 31452110 KBEZPCQULNHILH-MRXNPFEDSA-N 446.429 2.650 0 40 IFAB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCCC1=O 32954646 QCIVFTQDICKFKW-QGZVFWFLSA-N 434.558 2.528 0 40 IFAB O=C(CN1CCN(C(=O)CN2CCC[C@H]2c2cccs2)CC1)Nc1cccc(F)c1 35392797 CIXHQNPFPAFECA-IBGZPJMESA-N 430.549 2.807 0 40 IFAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 36703696 ZBJUTCBTJDOQMQ-GXTWGEPZSA-N 443.978 2.886 0 40 IFAB O=C(CCSc1nnc2ccccn12)Nc1cccc(S(=O)(=O)N2CCCC2)c1 40025043 NXDBZOYRXDJFAG-UHFFFAOYSA-N 431.543 2.635 0 40 IFAB O=C(c1cc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 40090252 LCSPRRHFAUWCFY-UHFFFAOYSA-N 433.436 2.767 0 40 IFAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(C)cc(Br)c2O)cc1 40151892 QEHZJAADBNUXDC-UHFFFAOYSA-N 437.246 2.977 0 40 IFAB COc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 41024853 HNBJTMGRXPXXKM-KRWDZBQOSA-N 441.509 2.936 0 40 IFAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 58046639 OXDVVOLFOOVOMM-HZPDHXFCSA-N 447.557 2.553 0 40 IFAB COc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1OC 58626615 SQRMFZHOTCNYGO-UHFFFAOYSA-N 426.391 2.891 0 40 IFAB CC[C@@]1(c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)CCC(=O)NC1=O 59988878 BPEKUKNPRUVIEF-QFIPXVFZSA-N 443.525 2.703 0 40 IFAB O=C(Cc1cccs1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 67896740 VHVRPSBUHHMEHM-NFBKMPQASA-N 437.521 2.785 0 40 IFAB biogenic,in-vitro CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 89327010 NNJLJAQTLOQTAM-UHFFFAOYSA-N 444.376 2.991 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)C(=O)c1ccc(F)cc1 96518560 SAKZLBJOTRRFJT-JTQLQIEISA-N 435.052 2.927 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)cc2)cc1 113933872 PEBDDHBOQDKLNX-UHFFFAOYSA-N 445.585 2.799 0 40 IFAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(S(C)(=O)=O)cc1 219140251 KECHEXNODRGUID-IBGZPJMESA-N 428.510 2.734 0 40 IFAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 220438646 FJMAPCFDVGVLLC-LLVKDONJSA-N 437.345 2.560 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 223517336 DNSKADNDGKVRNL-LJQANCHMSA-N 445.585 2.623 0 40 IFAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 223888886 UAEWWXQDPQLTOG-UHFFFAOYSA-N 434.514 2.660 0 40 IFAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 223914584 DUNNGKRQRNHURU-UHFFFAOYSA-N 432.527 2.918 0 40 IFAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)c1 223914956 SKLRZOYKRLACIE-UHFFFAOYSA-N 442.497 2.523 0 40 IFAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 224009826 QAOQOZXZZURYRM-UHFFFAOYSA-N 448.541 2.774 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 224234681 DIEMKISZZLGKLF-UHFFFAOYSA-N 434.558 2.808 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCSCc1ccco1 224698601 JQJZUHWVSLZBTN-UHFFFAOYSA-N 426.560 2.521 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)ccc21 225058613 LSYKNKBCQJUBJZ-UHFFFAOYSA-N 431.539 2.778 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(OC)cc1 225441962 DIAGZANHFCHQSV-CQSZACIVSA-N 435.318 3.000 0 40 IFAB Cn1nc([C@H]2CN(C(=O)c3cc[nH]n3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 257227593 FQAMCTRKJRKURO-LJQANCHMSA-N 449.433 2.997 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@@H](Cc2cccc(-c3ccc(C)cc3C)c2)C1=O 257319646 VTLPGYTWLNLYNG-QHCPKHFHSA-N 444.535 2.969 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)C2)cc1 260902851 XAMNEDHNPGEJEK-IBGZPJMESA-N 443.569 2.871 0 40 IFAB CN(C)CCN1C[C@@H]2N(S(=O)(=O)c3cccs3)CC[C@]2(c2ccccc2)CCC1=O 306142417 WYXIHSPVKWMMAC-UGKGYDQZSA-N 447.626 2.633 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 408597225 XYXMNVZHXRPRJE-UHFFFAOYSA-N 446.525 2.594 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 408658821 RMHZSLWZPOOFIV-MRXNPFEDSA-N 443.887 2.578 0 40 IFAB CCOC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 408732850 ZWLMQQAKMCPHCQ-HXUWFJFHSA-N 440.456 2.893 0 40 IFAB COC(=O)c1cn([C@@H](CC(=O)O)c2ccc(OCC(C)C)c(OC)c2)cc2c(O)nnc1-2 524734684 CMEICIKVGMDYRH-INIZCTEOSA-N 443.456 2.983 0 40 IFAB COc1cccc(Oc2ncccc2CNC(=O)c2ccnc(N3CCN(C)CC3)c2)c1 607354275 JURZQCQIJJHDIK-UHFFFAOYSA-N 433.512 2.959 0 40 IFAB CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)C1 1556638380 MGWNQFAATNCXMO-RBUKOAKNSA-N 440.548 2.836 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3NC(=O)C[C@H]3c3ccccc3)c2)C1 1654089496 UPVSWFMRLBMEDB-LZJOCLMNSA-N 441.553 2.972 0 40 IFAB CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)c4ccn(C(F)F)n4)CC3)CO2)O1 1848354469 UDHFSBJVWOUXRV-TWOQFEAHSA-N 427.492 2.998 0 40 IFAB O=C(Nc1cc(N2CCOCC2)ncn1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 958993 LTDAZLUZQYJTMB-QGZVFWFLSA-N 445.785 2.776 0 40 IFAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2134191 PSWBNFCDLVFUFQ-OAGGEKHMSA-N 434.496 2.563 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)NC(C)(C)CO)cc1-c1nnc2c3ccccc3c(C)nn12 2220034 WUPBHQIRIRACIA-UHFFFAOYSA-N 425.514 2.611 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1C 3355578 JBFGNJPQRHYAFS-UHFFFAOYSA-N 440.905 2.534 0 40 IFAB CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1Cl 8590712 KZMRHDOUEZDNDX-QGZVFWFLSA-N 431.855 2.943 0 40 IFAB COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 9260609 XNXLWTPYOUINDH-CXUHLZMHSA-N 430.844 2.993 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)c2)CC1 9463749 QPCHUEBTKYEOQG-HNNXBMFYSA-N 449.960 2.684 0 40 IFAB O=C(Cn1c(CO)nc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 9492547 AEQHQYWTEQMHMV-UHFFFAOYSA-N 442.541 2.732 0 40 IFAB NC(=O)c1c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)sc2c1CCC2 9664061 YBXISMHFHPQCBF-GFCCVEGCSA-N 439.584 2.579 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccc2Cl)c1C 10112081 QELGFSWENSUAJM-UHFFFAOYSA-N 435.933 2.672 0 40 IFAB COc1cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)ccc1N1CCCC1=O 11446230 NUVUHXKIWWQUBY-FQEVSTJZSA-N 434.496 2.989 0 40 IFAB CCN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11904734 ISFBTNPFTHAGEW-UHFFFAOYSA-N 436.555 2.581 0 40 IFAB COc1cccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1 12130526 HUDZYHGKGAYQTF-UHFFFAOYSA-N 435.484 2.738 0 40 IFAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCN2CCOCC2)cc1OC 12727971 LONNUQLINWHHMO-UHFFFAOYSA-N 436.512 2.619 0 40 IFAB C[C@H]1CCc2c(sc3ncn(C[C@@H](O)COCc4ccc5c(c4)OCO5)c(=O)c23)C1 12910285 JXFGKSKJNKSNLU-DZGCQCFKSA-N 428.510 2.889 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1OC 12912610 QANZSXGZWGKIHT-MRXNPFEDSA-N 438.571 2.791 0 40 IFAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12984952 KJWAUGXMOMOLAX-UHFFFAOYSA-N 448.566 2.717 0 40 IFAB C[C@H](N[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br 13037955 FGYPYMKTRLRAIB-NWDGAFQWSA-N 426.336 2.774 0 40 IFAB O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13057265 XTFKLJYGAKYICR-UHFFFAOYSA-N 442.585 2.622 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 13071349 CIJVRAWBCXMMOH-UHFFFAOYSA-N 430.526 2.611 0 40 IFAB O=c1[nH]c(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)nc2ccsc12 14197850 VSZYFIDVIQPZLU-UHFFFAOYSA-N 440.554 2.753 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 15243060 RDPAEFDLCANWHH-UHFFFAOYSA-N 440.525 2.584 0 40 IFAB COc1cc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)ccc1O 19291266 OGOYOMZMTHAZCW-QFIPXVFZSA-N 426.492 2.677 0 40 IFAB COc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 19561897 HTBFQVWRRAYJTI-LJQANCHMSA-N 437.475 2.627 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 20461492 XEHMBQHLRHITHV-UHFFFAOYSA-N 444.582 2.959 0 40 IFAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)NCc2ccncc2)cc1 22233473 GGQOJTFUZRIFLF-UHFFFAOYSA-N 443.500 2.882 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22537106 DNGFPFUEXVOFJU-SFHVURJKSA-N 434.558 2.793 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1nnc2ccccn12)OCc1ccccc1 22615792 NQMUXGTUOGRXJN-FQEVSTJZSA-N 429.480 2.883 0 40 IFAB COc1ccccc1NC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc2c1CCC2 22939033 DZHZKOQIYIHUBB-UHFFFAOYSA-N 428.558 2.684 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(Cc2ccccc2)CC1 23818852 SRMODZNNTDHEIN-UHFFFAOYSA-N 427.570 2.819 0 40 IFAB CCN(CC)C(=O)CSc1nnc(SCc2cn3cc(Cl)ccc3n2)n1N 26095871 OJVRLHJKHZRRIC-UHFFFAOYSA-N 425.971 2.546 0 40 IFAB Cc1cccc(OCc2nnc(SCc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)n2C)c1 33007490 QGSHKMLTJHOSGS-UHFFFAOYSA-N 435.509 2.935 0 40 IFAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)N2CCN(c3ccccc3)CC2)cc1Cl 35311265 KNCAZRDFVNWTLZ-GDLZYMKVSA-N 433.961 2.684 0 40 IFAB CCOc1cc(CNCCCN2CCOCC2)cc(I)c1OC 36612756 KETUMSQGHQZNAL-UHFFFAOYSA-N 434.318 2.510 0 40 IFAB CCS(=O)(=O)N1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)n2)CC1 36613958 RIXUKYFPRORVSQ-UHFFFAOYSA-N 442.488 2.570 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 36656095 QAMHBISDJNNOCY-OAQYLSRUSA-N 430.526 2.930 0 40 IFAB O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1nc(-c2cccs2)no1 38486644 FSOHMDZQCICDFS-UHFFFAOYSA-N 425.861 2.850 0 40 IFAB CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CCn1nnc2ccccc2c1=O 40142754 VILMOHKJCUXQEX-JOCHJYFZSA-N 433.556 2.771 0 40 IFAB COc1cccc(-n2ccn3c(SCC(=O)NCc4ccc(C)cc4)nnc3c2=O)c1 46047551 MMHONDREHCGOSU-UHFFFAOYSA-N 435.509 2.606 0 40 IFAB CN1CCCN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)CC1 58100677 KAVNMKGZAKLHAY-UHFFFAOYSA-N 442.539 2.521 0 40 IFAB Cn1cc(CCC(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cn1 59733870 FHAWRUQOYDENRS-UHFFFAOYSA-N 448.449 2.766 0 40 IFAB Cc1ccn(C[C@H](C)C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2cccnc2)n1 72351542 NVBIGIMGQYRNHT-FDDCHVKYSA-N 431.540 2.802 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)Nc4cccnc4)CC3)cc2C1=O 84744441 CSEJUIVRLXKJLY-UHFFFAOYSA-N 434.496 2.969 0 40 IFAB Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CSc2nnnn2-c2c(C)cccc2C)c1 103545778 YHKLTFQNQINIMN-LYBHJNIJSA-N 433.541 2.985 0 40 IFAB COC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(I)c2)C1=O 106742152 UYLIWUJDXYULNE-WDZFZDKYSA-N 433.223 2.509 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Br)c2)cc1 113870326 RQEOWEBLVHDLMR-UHFFFAOYSA-N 427.276 2.687 0 40 IFAB CN(CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 219397732 QMAAXLHZCIKVKK-IBGZPJMESA-N 437.949 2.510 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 220173003 UJWPAELIVABHPE-OAHLLOKOSA-N 433.530 2.628 0 40 IFAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1 223275927 DPRHFOWWXHNJFM-RUZDIDTESA-N 446.547 2.986 0 40 IFAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 224134065 PDNADFCCKLDOTC-OAHLLOKOSA-N 430.526 2.740 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCN3CCCC3=O)c2)cc1 224344335 BJBPERXDDBECFI-UHFFFAOYSA-N 449.960 2.826 0 40 IFAB CCOc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1OCC 225822090 RWWKDCJFKHFFJU-UHFFFAOYSA-N 434.558 2.870 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 227003483 MEGUYTZYQCPVGH-XEZPLFJOSA-N 436.555 2.623 0 40 IFAB CCN(CC)CC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 257313911 UUQMDHRGVMLHJT-FQEVSTJZSA-N 435.572 2.922 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)O2 260890769 RVWZLTMLABAALO-LJQANCHMSA-N 438.933 2.679 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 408625846 UJILHTYWHILBSN-UHFFFAOYSA-N 449.548 2.584 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 409194276 JIDPJLQUZLBYNI-KRWDZBQOSA-N 449.548 2.630 0 40 IFAB CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 585271412 YLABCWYXUCEJPZ-AREMUKBSSA-N 439.600 2.861 0 40 IFAB O=C(CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1cc2ccccc2s1 1632772680 PIIGLUDCFNUZLH-WMZOPIPTSA-N 440.496 2.544 0 40 IFAB CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)oc(=O)c2c1 1239203 RKNLKUQFMFAGRL-OAHLLOKOSA-N 434.404 2.555 0 40 IFAB O=S(=O)(c1cccc2nonc12)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1349384 BWZBVEWTTHVBJK-UHFFFAOYSA-N 445.501 2.996 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 3415301 LTQVIGWFKYYEQY-UHFFFAOYSA-N 435.571 2.624 0 40 IFAB COCCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6239061 SAHSJZNACIGZGF-UHFFFAOYSA-N 445.566 2.884 0 40 IFAB COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC[C@@H]2CCCO2)cc1 6577020 MJYSTWGKSWLQEX-IBGZPJMESA-N 441.557 2.593 0 40 IFAB C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1c(F)cccc1Cl 9187473 IIRDXZCQOLILEO-XABWTFMKSA-N 447.919 2.870 0 40 IFAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NC[C@H]1COc2ccccc2O1 9387912 RFQCTMNMNQRCNQ-NRFANRHFSA-N 432.476 2.952 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 9493812 BZIIERPRJXVDEK-UHFFFAOYSA-N 441.597 2.868 0 40 IFAB COc1ccc(C2(CN3C(=O)N[C@@H](CCC(=O)NC4CCCC4)C3=O)CCOCC2)cc1 9531179 CBDSNGZZVAJORZ-FQEVSTJZSA-N 443.544 2.503 0 40 IFAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1nonc1NC(C)=O 9877546 RDLNIFPXIWBBAW-UHFFFAOYSA-N 435.897 2.999 0 40 IFAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)cc1 10295494 NWKSYBJSCQKCMU-LJQANCHMSA-N 433.428 2.556 0 40 IFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)cc1 12068950 IXCKXMLUEAJMGP-UHFFFAOYSA-N 444.601 2.772 0 40 IFAB O=C1CCc2cc(C(=O)CSc3nnc(N4CCOCC4)n3-c3ccccc3)ccc2N1 12632956 ICOJLVRALOFUHT-UHFFFAOYSA-N 449.536 2.964 0 40 IFAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1I 12650811 TWERYBUSSGPRFX-CQSZACIVSA-N 429.327 2.952 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(SC(F)F)cc2)c1 12852697 HBSHWARJRAMTKT-UHFFFAOYSA-N 445.513 2.832 0 40 IFAB Cc1cccc2c(=O)n(CC(=O)N3CCC(C(=O)N4CCc5ccccc5C4)CC3)cnc12 13011834 BXVGLFVWBRBERJ-UHFFFAOYSA-N 444.535 2.528 0 40 IFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13063171 WAKBFTOEKFWAFY-UHFFFAOYSA-N 435.502 2.516 0 40 IFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCc3cc(OC)c(OC)cc3C2)C1=O 14181805 KJXWYTAVAURERF-XMMPIXPASA-N 439.512 2.885 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(F)cc1)n2C 15961089 VACDVDDUWDDFOJ-UHFFFAOYSA-N 446.548 2.992 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@@]12C(=O)Nc1ccc(C)cc12 16027113 YSPQCOHYEDVYBI-BQCJPAOWSA-N 429.904 2.802 0 40 IFAB C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1ccc(F)c(F)c1 16279276 DAZHYGAKCBPJCQ-GFCCVEGCSA-N 436.436 2.598 0 40 IFAB O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1 16477125 WUAYGKZFQSTTNR-BGYRXZFFSA-N 432.432 2.798 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nn1-c1ccccc1F 17303448 XAQAWJHFOXXRNQ-UHFFFAOYSA-N 433.443 2.730 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCN1C(=O)CSc2ccccc21 17342987 ULDYOCNBLYUDRR-UHFFFAOYSA-N 430.482 2.958 0 40 IFAB O=C(c1cccnc1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19368843 XBCVXLYKUROQDP-OAQYLSRUSA-N 443.507 2.731 0 40 IFAB COc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 19497297 NJSCIVNQSPGCAL-IAGOWNOFSA-N 440.544 2.616 0 40 IFAB Cc1nonc1NC(=O)CN1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744132 IUIARSFRWQMKIY-NRFANRHFSA-N 439.560 2.900 0 40 IFAB O=C(OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 21335868 WLNLGSSACBGKGC-OAQYLSRUSA-N 441.447 2.986 0 40 IFAB O=C(c1cccc(F)c1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 21884420 LQLGBONIAVZLLG-UHFFFAOYSA-N 435.484 2.920 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)cc1OC 22495240 IZWAZEZFYQZNSV-XMMPIXPASA-N 439.512 2.911 0 40 IFAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1OC 22699444 VKDPJKFOGBORPE-KRWDZBQOSA-N 434.514 2.804 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(SC)c2)N2CCOCC2)cc1 23107422 GTVUWKXQMMQRIO-FQEVSTJZSA-N 429.542 2.545 0 40 IFAB COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)c21 23137885 VJXGXGLGGXLPFH-UHFFFAOYSA-N 448.508 2.962 0 40 IFAB CCOc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OCC 28420574 DGGUBFFSESVDDX-INIZCTEOSA-N 443.500 2.523 0 40 IFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)cc1 32774355 KSZLUNIXYGTMKA-NRFANRHFSA-N 441.528 2.758 0 40 IFAB C[C@H]1NC(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)=NN(c2ccccc2)C1=O 32962686 BPFOEOBFOSVBRR-CYBMUJFWSA-N 426.427 2.728 0 40 IFAB COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)n1 38486663 JACIBTROBSXSDK-UHFFFAOYSA-N 449.858 2.797 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1OC 38754802 INKUSFQLFMEPEV-UHFFFAOYSA-N 436.530 2.671 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[nH]c(=O)c21 40390385 WZSYRFYNHLHSHA-YPMHNXCESA-N 445.907 2.875 0 40 IFAB O=C(c1ccc(Cl)cc1)[C@H](O)[C@H]1O[C@@](O)(Cl)C[C@@]1(O)C(=O)c1ccc(Cl)cc1 44563600 RVWBDHDMEWROTH-JCHJZTRSSA-N 445.682 2.825 0 40 IFAB CCCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945446 IEYWMZCNSPVHGX-FQEVSTJZSA-N 430.524 2.705 0 40 IFAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc1 58159656 UXCZCABIVBDQKI-UHFFFAOYSA-N 446.554 2.730 0 40 IFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 62613815 IIRKDCHIULICBV-QHCPKHFHSA-N 447.539 2.795 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N[C@@H](c2ccc(SC)cc2)C2=C1COC2=O 71326800 CPFLDDFNHOHFDM-FQEVSTJZSA-N 439.493 2.933 0 40 IFAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(OC)cc4OC)c3)nc2)n1 71768343 FPSPKTRCKGKYGR-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cc1 72380732 SEHSWEHJBGCQNX-OAQYLSRUSA-N 426.517 2.577 0 40 IFAB O=C(NCC1(O)CCC2(CC1)OCCO2)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 78968595 DKPHZOHBRNDEAP-INIZCTEOSA-N 429.300 2.651 0 40 IFAB O=C(Nc1cccc(Br)c1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105221 DZMHKMPWIRVKTJ-UHFFFAOYSA-N 428.294 2.675 0 40 IFAB C[C@H]1CN(C(=O)c2cnc(-c3noc4cc(N5CCN(C)CC5)ccc34)s2)C[C@@H](C)O1 96154599 AIYMAKBYUJEOHO-GASCZTMLSA-N 441.557 2.953 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)c(Cl)c1 101389097 WOKMULVKYFUXJI-IRXDYDNUSA-N 433.802 2.859 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@H]4C2=O)no1 106015581 YPEQOEBOCSTMRV-FVQSIRDASA-N 435.358 2.807 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)ccc1OC 224258001 AUBHFPSPGZCKNJ-UHFFFAOYSA-N 448.526 2.773 0 40 IFAB CCN(c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1)S(=O)(=O)CC 224583241 WCGJHMDERZNFJP-UHFFFAOYSA-N 445.585 2.625 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 225417247 PYKGLCFYSRZNCF-UHFFFAOYSA-N 428.514 2.872 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1C 225777301 GFMRIAJKVZAJFV-UHFFFAOYSA-N 446.510 2.995 0 40 IFAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC(N)=O)c(OC)c4)OCC[C@@]31C2 257216505 CUTWVDGOTQZWBL-MBBIAHTCSA-N 430.545 2.968 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)cc1 257258705 KVDUYWQQYAJHMA-ZCYQVOJMSA-N 436.556 2.685 0 40 IFAB CN1CCC(N2CCC(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)CC2)CC1 257298116 RKFQEDINMXXHBZ-DEOSSOPVSA-N 440.632 2.994 0 40 IFAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccc2)c1 408710295 WKGRNUFHGRZHLF-UHFFFAOYSA-N 431.492 2.923 0 40 IFAB Cc1cccc(OC[C@@]2(O)CN(Cc3cccc(OCCn4cccn4)c3)CC[C@@H]2O)c1 585281794 RROIERABXSIJAK-DQEYMECFSA-N 437.540 2.647 0 40 IFAB Cc1noc(C(F)(F)F)c1C(=O)NCCCNC(=O)c1c(C)noc1C(F)(F)F 1117459493 CWSSXELYEBSICQ-UHFFFAOYSA-N 428.289 2.867 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888919442 SFLIEIHTICNOPJ-IAGOWNOFSA-N 429.546 2.979 0 40 IFAB CCOC(=O)c1cn(CC(=O)NCc2ccc(F)cc2)c2cc(OC)c(OC)cc2c1=O 1889224968 BTUQSSMECXWZGN-UHFFFAOYSA-N 442.443 2.651 0 40 IFAB O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)/C=C/c2cccs2)C1 2055785154 OSRDRTZVOFUYNP-IOUFHMPJSA-N 425.558 2.748 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)c(Cl)c3)n2)c(-n2cnnn2)c1 1361512 AGAAQVLJQDITHR-UHFFFAOYSA-N 430.259 2.570 0 40 IFAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1Cl 2652032 ZTSNLAVQLDPKNL-UHFFFAOYSA-N 446.312 2.743 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccc2c(c1)OCO2 3373245 HYWOETFDADPXDY-UHFFFAOYSA-N 448.387 2.600 0 40 IFAB CC(=O)N[C@H](CC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 8965980 PGFIWBJYRQGZIH-OAQYLSRUSA-N 441.509 2.964 0 40 IFAB COC(=O)c1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)o1 9130847 YIPGDXZRAUCKJU-UHFFFAOYSA-N 432.454 2.904 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC(C)C 9186373 XETHEVMKXOHDGK-RZQQEMMASA-N 435.615 2.798 0 40 IFAB O=C(Cn1nnc(-c2ccsc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9206785 NZJHYYNKKFOMPL-UHFFFAOYSA-N 438.435 2.896 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O 9283827 RFXGFQITSZOYEO-DEOSSOPVSA-N 432.432 2.978 0 40 IFAB COc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518855 WRURVBDMDGHCSJ-UHFFFAOYSA-N 433.508 2.814 0 40 IFAB O=C(NCCc1ccccn1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 9645231 NCTLICMXPLGUJM-UHFFFAOYSA-N 443.356 2.647 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1 9714645 IXISHQLMTVZYII-UHFFFAOYSA-N 436.964 2.532 0 40 IFAB CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1C1CC1 9872445 SARIQWLNAKZZOJ-UHFFFAOYSA-N 435.575 2.691 0 40 IFAB CCN(C(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 9962339 KUUIGIKDESMTJO-INIZCTEOSA-N 435.571 2.636 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 11694162 VBPROOJELVIGBS-UHFFFAOYSA-N 447.944 2.924 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)ccc12 12296310 HUTWVQWLANZGSN-INIZCTEOSA-N 447.491 2.825 0 40 IFAB biogenic O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12595797 DUXHYAAFBQPVOJ-QFIPXVFZSA-N 437.521 2.622 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 12685656 QZEHGZGOJBVJEV-OAHLLOKOSA-N 433.555 2.680 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1 12974690 ORTJNMTVXBFHLR-UHFFFAOYSA-N 434.481 2.740 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 13165168 VKESWWKTXLOSAY-UHFFFAOYSA-N 433.555 2.914 0 40 IFAB COc1ccccc1[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCCC1 13561735 IMQNQHMKGXPBNT-HXUWFJFHSA-N 427.530 2.607 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nncs2)n1C 13945030 XFLHYKKCPMAGCJ-CQSZACIVSA-N 431.547 2.525 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1 14162298 KWBNIGMAECMPOH-XMMPIXPASA-N 430.464 2.605 0 40 IFAB Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)cnc21 14198928 JJURELCGMJUMKQ-UHFFFAOYSA-N 433.493 2.876 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3OC)CC2)cc1 17970419 RUWPCVUEQXFYDP-MRXNPFEDSA-N 432.542 2.982 0 40 IFAB CN(CC(=O)NC(C)(C)C)C(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 19356028 HYXBUAICLUUCCG-UHFFFAOYSA-N 431.514 2.530 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19503205 XJTKCAGKIQRFMS-NRFANRHFSA-N 444.535 2.990 0 40 IFAB COc1c(CN2CCC(c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)CC2)c(C)nn1C 19739260 GLTZDAUKAUJWCV-UHFFFAOYSA-N 438.576 2.904 0 40 IFAB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 19891844 LIIUSXOFVLATGY-OALUTQOASA-N 430.526 2.847 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(OC)c(OC)c2)cc1 20024506 DGSFOSAAHZGFTF-UHFFFAOYSA-N 434.558 2.983 0 40 IFAB CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cc2C[C@H]1C 21867262 OKIUCZRJNZZCSA-HUUCEWRRSA-N 425.514 2.604 0 40 IFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O 23674655 BMPBHAKRMSTRSE-IQMFZBJNSA-N 442.516 2.524 0 40 IFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccccn2)cc1 26565771 FJCCUEMWYVMOFU-UHFFFAOYSA-N 425.510 2.888 0 40 IFAB Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(Cc2cccc(Br)c2)CC1 36615088 PTJMGATXTCSZOM-UHFFFAOYSA-N 449.321 2.856 0 40 IFAB CCN(CC)CC1CCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 58296919 LETBIPJPVKUOEO-AWEZNQCLSA-N 428.499 2.601 0 40 IFAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CC(OCC(=O)N(C)C)C2)c1 72313212 JQLFGZWQPLKOKY-UHFFFAOYSA-N 448.523 2.786 0 40 IFAB CCn1c(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)nc2ccccc21 72338933 DNAZZJRQIHAJSX-QFIPXVFZSA-N 425.558 2.998 0 40 IFAB CCCn1ncc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c1C 72340604 HGELTRIWVPUUCA-JOCHJYFZSA-N 426.540 2.878 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(Cc1ccc(N3CCCC3=O)cc1)CC2 72372386 PCJTYDFERDZJGP-JOCHJYFZSA-N 448.571 2.887 0 40 IFAB O=C(NCCc1csc(-c2ccccc2)n1)c1c[nH]c(=O)n(Cc2cccs2)c1=O 77099310 VLNMQLHFXNSWDA-UHFFFAOYSA-N 438.534 2.742 0 40 IFAB CC[C@H]1CCc2sc(-c3nnc(SCc4cc(=O)n5nc(N)[nH]c5n4)n3C)cc2C1 105432638 PTNZPHPMFJQCCU-JTQLQIEISA-N 442.574 2.664 0 40 IFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 206804468 HGIKJZOCAJMUNE-RDJZCZTQSA-N 432.448 2.747 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c(C)c1 218791585 KLGHISHAEFRENK-IBGZPJMESA-N 432.498 2.728 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220328148 OLKHGSMKMFOFQL-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB Cc1ncn(CC(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)c(=O)c1C 220696635 SSFRERLMOHITHQ-INIZCTEOSA-N 425.464 2.531 0 40 IFAB O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 223290492 FPKARSCPTNRBHY-BZSNNMDCSA-N 437.323 2.993 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C(=O)NCCO)c2ccccc2)cc1 223571588 VMJMMRDAZRPCGN-RUZDIDTESA-N 448.519 2.953 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C(C)C 223654332 XVLCSWMDXOUUKE-UHFFFAOYSA-N 438.571 2.820 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223699479 AVHPWKJBPXLVRJ-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)c(OC)c1 223767934 PXSDGRXWGDNNPB-UHFFFAOYSA-N 439.877 2.894 0 40 IFAB CCOc1ccc(N(CCCC(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1 224368747 GBNYTUSSBDGCPE-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2cccc(OC(C)C)c2)cc1 224373372 BRLNXJFQQGXEGP-UHFFFAOYSA-N 434.558 2.852 0 40 IFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 224877631 YDVWGDKOBAGWOZ-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 224953770 MHUHYGJQECPXAJ-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccc(C)cc2)cc1OC 225019216 DNBSSORZVVVZFX-UHFFFAOYSA-N 438.571 2.541 0 40 IFAB Cc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c(C)c1 225790551 RJSAQOMPDLNLHN-UHFFFAOYSA-N 430.570 2.934 0 40 IFAB COc1ccccc1[C@H]1CN(CC(=O)Nc2ccc3c(c2)OCCCO3)CCN1C(C)=O 257222499 DTNBXTHZSMJOSB-HXUWFJFHSA-N 439.512 2.700 0 40 IFAB Cc1ncc(C(=O)N(C)C)c([C@H]2CC[C@H](CNCCS(=O)(=O)c3ccccc3)CC2)n1 257311335 UIZHWDBRACNXRR-WGSAOQKQSA-N 444.601 2.824 0 40 IFAB CCOc1ccc(N([C@H](CC)C(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260901657 MQYMHGUKABYJHT-RTBURBONSA-N 448.541 2.586 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408654926 GZZHJIRSSASQPW-CJBVTVNNSA-N 442.512 2.623 0 40 IFAB COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)C2)C1 1635976066 HNRDCQGNFQBIPA-JPYJTQIMSA-N 443.500 2.582 0 40 IFAB COc1cccc(Cn2c(NCc3ccccc3Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 1275039 ZEANSBNCMTZKPG-UHFFFAOYSA-N 439.903 2.756 0 40 IFAB Cn1c(=O)c2c(nc(N3CCCCCC3)n2Cc2cccc(Br)c2)n(C)c1=O 2322662 JHBMZWOUJZJJIL-UHFFFAOYSA-N 446.349 2.625 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 3413499 DAKKODBFQPCNSV-UHFFFAOYSA-N 431.514 2.561 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 3432763 OFWUEHBDMZMOCF-UHFFFAOYSA-N 443.481 2.848 0 40 IFAB COC(=O)c1c(NC(NC(C)=O)(C(F)(F)F)C(F)(F)F)sc2c1CCN(C)C2 3672208 QJTZHASDCRQIBY-UHFFFAOYSA-N 433.374 2.892 0 40 IFAB CCOC(=O)O[C@H]1[C@@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1OC(=O)OCC 5201870 DPMUGDANRAMDDH-SUMCQTLJSA-N 426.418 2.555 0 40 IFAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@H](C)C(=O)C[C@@H]3C)c12 5249828 ZXPNTKNDRGETDK-KBPBESRZSA-N 429.517 2.910 0 40 IFAB COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 9206713 GPHVZAZMLZGBOP-UHFFFAOYSA-N 439.449 2.571 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccc(Cl)cc1 9591258 JNHPKHPSBNXSAZ-ZDUSSCGKSA-N 435.263 2.913 0 40 IFAB COc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCC1 9662575 ONDSYBOBTBZUHD-UHFFFAOYSA-N 446.525 2.822 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 9675473 INQUKAOOEJSHBI-ROUUACIJSA-N 429.839 2.973 0 40 IFAB COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1S(=O)(=O)NC1CC1 9782608 NAPJXWXSIMKNIW-UHFFFAOYSA-N 449.960 2.752 0 40 IFAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375869 NWRYCOWPQJTIIN-UHFFFAOYSA-N 438.553 2.774 0 40 IFAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)s1 10381887 BSDSPXCBQUJXPL-MRXNPFEDSA-N 446.510 2.680 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(I)cc2)cc1 10462939 AYWCTFQWBHNPCT-UHFFFAOYSA-N 444.294 2.907 0 40 IFAB C[C@H](OC(=O)CCSc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12794254 RQHUWHYBCOIQPQ-LBPRGKRZSA-N 426.491 2.526 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)NCc3ccc(Cl)cc3)CC2)cc1 12875507 VROFCWXNNLUFCL-UHFFFAOYSA-N 435.977 2.661 0 40 IFAB CCCN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13099068 SMNQCADVLFRHRN-UHFFFAOYSA-N 442.903 2.834 0 40 IFAB O=C(CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1)Nc1ccccc1Cl 13127482 GLXUIPULRXYVAY-UHFFFAOYSA-N 437.931 2.981 0 40 IFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)n1 13948330 OZZZARFZXUVYCD-UHFFFAOYSA-N 432.527 2.836 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 16783294 LPRDSINZBBHBAO-UHFFFAOYSA-N 427.265 2.632 0 40 IFAB COc1cccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1 16960395 LLQUVIXCPRTTMM-UHFFFAOYSA-N 434.496 2.963 0 40 IFAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)COc4ccccc4)cc3)nn12 17102342 UYYGATKUBBNPAY-UHFFFAOYSA-N 438.538 2.731 0 40 IFAB CC(C)(C)C1=NN(CC(=O)NCCCN2CCCC2=O)C(=O)c2cc3sccc3n2C1 19082241 YVNZRSJEAQVNKW-UHFFFAOYSA-N 443.573 2.689 0 40 IFAB Cc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c(C)c1 19132589 KWLZQVAOXMDNQT-NTKDMRAZSA-N 443.613 2.870 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)C1CCN(C(C)C)CC1)CC1(CCOCC1)O2 19218680 FMFWUGSLUBPPBY-UHFFFAOYSA-N 443.588 2.710 0 40 IFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C[C@@H]4CCS(=O)(=O)C4)C3)cc2N1 19462642 RDIOIBZMMROCLX-HLPPOEQASA-N 448.511 2.721 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2N1 19520681 MGHNZQZAGVVGQK-RJZRQDKASA-N 434.484 2.679 0 40 IFAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 19706286 HAINPHPMEWYXEG-JOCHJYFZSA-N 435.572 2.970 0 40 IFAB Cc1ncc(CN2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)s1 19762265 UWPLENSLEDESEQ-NRFANRHFSA-N 426.542 2.638 0 40 IFAB CCc1ccccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O 19938267 BADLXOJIJXDIJR-FMIVXFBMSA-N 441.597 2.873 0 40 IFAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 20459512 MUFMCNYKPGQXCC-AWEZNQCLSA-N 428.470 2.692 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 20768534 BHTGHWLMCWFCII-UHFFFAOYSA-N 444.962 2.612 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 24612301 GTSQFCQLSAHTPW-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1S(N)(=O)=O 26902497 BPTITJJUUFRCOT-QGZVFWFLSA-N 443.550 2.684 0 40 IFAB O=C(c1cccc(F)c1)N1CCCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 29997597 IZFFPRIDTPNYSC-UHFFFAOYSA-N 439.539 2.564 0 40 IFAB Cn1c(=O)c2cc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)cnc2n(C)c1=O 30391629 XDTCDDOTUMCSNO-UHFFFAOYSA-N 434.427 2.603 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1 32071438 IPNZCAWSSCWQJW-UHFFFAOYSA-N 437.477 2.870 0 40 IFAB CCCn1nc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1=O 33028426 YCLSZKADNDVSNC-UHFFFAOYSA-N 448.451 2.985 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)CC2=O)cc1Cl 36569677 UPWHPEORGVZSOG-OWCLPIDISA-N 441.915 2.509 0 40 IFAB biogenic COc1cccc2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@@H]4c4cccs4)CC3)c(=O)oc12 38730702 QINHOPIEUKLPGW-JKSUJKDBSA-N 438.505 2.951 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 38754749 JKCHWGJJFKIFAM-OAHLLOKOSA-N 430.505 2.791 0 40 IFAB Cc1cnc2n(c1=O)[C@@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@@H](C)C4)on1)CS2 38755201 RUAZTLGRLPVARR-GUYCJALGSA-N 438.509 2.883 0 40 IFAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)Oc2ccc(Cl)cc21 38853832 VVAPXPHWVZOUBO-KRWDZBQOSA-N 438.889 2.667 0 40 IFAB COC(=O)c1cnc(N[C@@H](C)c2cc(C)sc2C)c(S(=O)(=O)N2CCOCC2)c1 40153586 PYLKYBGFVCAXNA-ZDUSSCGKSA-N 439.559 2.741 0 40 IFAB O=C(c1ccco1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 41077464 WIOULJKOTADXDD-UHFFFAOYSA-N 439.472 2.508 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3csc(Nc4ncccn4)n3)sc2c1 49032208 OOCATAARTFCBRQ-UHFFFAOYSA-N 432.512 2.942 0 40 IFAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(Cl)cc3F)c2=O)CC1 49409146 KDVWWPHDYVOLEC-UHFFFAOYSA-N 441.912 2.700 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)cc1 57506612 PKEKGETVLDPWRW-UHFFFAOYSA-N 432.480 2.540 0 40 IFAB CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 58645194 LFKHQJJYZIEUMA-UHFFFAOYSA-N 448.488 2.620 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4cc(OC)cc(OC)c4)c(=O)n3c(C)n2)cc1 65196650 OSSBCLOLNHMCAK-UHFFFAOYSA-N 449.467 2.531 0 40 IFAB COc1ccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc1OC 67240130 NPOHCTXZPKDEJK-UHFFFAOYSA-N 432.278 2.941 0 40 IFAB Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc2c(c1)OCCO2 67322517 NSOLXSVWTQNCGH-UHFFFAOYSA-N 427.848 2.902 0 40 IFAB C[C@@H](C(=O)NC1CCN(CC2(c3ccccc3)CCCC2)CC1)N1C(=O)NC(C)(C)C1=O 72393431 GQLCWKCROKWFHR-SFHVURJKSA-N 440.588 2.798 0 40 IFAB COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(-c4noc(C)n4)cn3)CC2)[nH]n1 90558843 IXXAECNBJXOLKM-UHFFFAOYSA-N 445.483 2.801 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 90592096 LKHOZPAWSDICBZ-INIZCTEOSA-N 448.932 2.951 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccc(F)cc1 96521124 TWOWEPGQTYZZDT-ZJUUUORDSA-N 437.068 2.778 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccc(OC)cc1 96521170 LKLWRJWCYCTCOY-MNOVXSKESA-N 449.104 2.647 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccco2)C3)cc1 100427237 XHMWDPZTFJRMSJ-ROUUACIJSA-N 431.514 2.742 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)o1 101826189 XXHLSKXVEFJNAZ-GJZGRUSLSA-N 444.513 2.543 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(=O)N1CCOCC1 113939745 ITKMAYMUDRNGPW-UHFFFAOYSA-N 434.514 2.756 0 40 IFAB COc1ccc(CCNC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 224129763 XXMVJAWECWALPF-UHFFFAOYSA-N 446.569 2.780 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](CN3C(=O)COC3=O)c3ccccc3)cc2)co1 225639102 GXKFCPJBBCZAJQ-SFHVURJKSA-N 441.465 2.648 0 40 IFAB CNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCN(c3ccccc3)CC2)n1 225879050 ULGFKBOYNNYACK-UHFFFAOYSA-N 425.606 2.956 0 40 IFAB Cn1c(=O)oc2cc(NC(=O)CN3C[C@H](OCc4ccccc4)[C@]4(CCCO4)C3)ccc21 257223326 DWWBVQWFSVIQGQ-URXFXBBRSA-N 437.496 2.520 0 40 IFAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C(C)C 260945454 VFJKBAXMHWKLPM-SJORKVTESA-N 425.595 2.823 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)CCc4ccccc4)C[C@@H]2C3)cc1 306122992 ABOBGDRHYIXZQI-OALUTQOASA-N 445.523 2.803 0 40 IFAB CC(=O)N(C)c1ncc(-c2nc(C(=O)N3CCN(C(C)C)CC3)c3ccccn23)s1 306138989 SMLYMVFLLXVDCN-UHFFFAOYSA-N 426.546 2.607 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 408664893 PQIDTFCYKUJXGN-YKTUVVHCSA-N 446.459 2.802 0 40 IFAB O=C(NCC1CCOCC1)[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 575404503 NQLQCBSKZQYCRV-ZNKOEICNSA-N 426.561 2.526 0 40 IFAB Cc1noc(C)c1C(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC(=O)NC(C)C 585107439 VVONCOYZAUBKBV-DEOSSOPVSA-N 448.527 2.563 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CCN2C)cc1 585261815 PDHZFRGBQIKILZ-QFIPXVFZSA-N 433.512 2.810 0 40 IFAB CCCc1cc(C(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)no1 585283919 FQTAIAGDZWHQKM-NRFANRHFSA-N 435.908 2.755 0 40 IFAB C[C@@H](Sc1nc(CC(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cs1)C(N)=O 1167332334 FCKSWZLEYBZHPZ-QGHHPUGFSA-N 447.504 2.694 0 40 IFAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)NCc1cccnc1)N(C)CC3)OCO2 1547138668 PFPOKRJTDCFEHG-CQSZACIVSA-N 448.317 2.817 0 40 IFAB biogenic COc1ccc(C(=O)Nn2c(C3CC3)nc3cc(OC)c(OC)cc3c2=O)c(OC)c1 1365132 JNDGRLXYMSUSQY-UHFFFAOYSA-N 425.441 2.692 0 40 IFAB NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 2627581 GIZKDIRMEBANHM-UHFFFAOYSA-N 441.534 2.846 0 40 IFAB O=C(/C=C/c1ccccc1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 2694882 AITCMLMDHWJDMJ-RMKNXTFCSA-N 429.523 2.969 0 40 IFAB CCCCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 4251472 PUTMYEPALLNVAP-INIZCTEOSA-N 425.533 2.674 0 40 IFAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(OC(F)(F)F)cc3)c(=O)n1C2 5414975 FAEUOMXOIRSAQS-GOEBONIOSA-N 435.446 2.921 0 40 IFAB biogenic,in-vitro C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc2ccccc2c1 8899077 JGVZKFOEXMQTDJ-QGZVFWFLSA-N 439.537 2.663 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 9097096 CDCQKASYZALFRI-HXUWFJFHSA-N 448.541 2.584 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 9191141 AQJCTRTWXJMJNG-QGZVFWFLSA-N 429.542 2.983 0 40 IFAB COc1ccc(C(=O)NCc2nnc(S[C@@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 9264009 SMWKNNABDJEAKW-LBPRGKRZSA-N 446.558 2.638 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(NC(C)=O)cc2)NC(=O)N[C@H]1c1cccs1 9315661 KUQSGXOGCYQBIR-SFHVURJKSA-N 443.481 2.735 0 40 IFAB O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 9661052 JKXPPTYKAPQKLR-UHFFFAOYSA-N 425.844 2.820 0 40 IFAB O=C(c1cccc(F)c1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849647 ARSHPSURHPQNHH-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C2=O)cc1 9996065 DEMNVDQXPVIMHO-HSZRJFAPSA-N 425.460 2.793 0 40 IFAB CCN(c1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1)S(C)(=O)=O 10008628 QYWWITZTAKAMJN-UHFFFAOYSA-N 436.486 2.529 0 40 IFAB Cc1cccc(Cn2c(=O)c3c(nc4n(-c5ccccc5O)c(C)c(C)n34)n(C)c2=O)c1 10233682 WAMIJUJRNOBFRJ-UHFFFAOYSA-N 429.480 2.818 0 40 IFAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2F)n1C 10616665 WNMDVTZRKIQUEC-GOSISDBHSA-N 440.500 2.840 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 11916782 MUPBCRNCORBJHY-MRXNPFEDSA-N 445.516 2.992 0 40 IFAB Cn1ccnc1[C@@]1(O)COC2(CCN(C(=O)c3ccc(Br)s3)CC2)C1 12116240 MYHCVQHMRPDTPN-KRWDZBQOSA-N 426.336 2.527 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC 12182031 CCKNFULUWJHVDH-OWCLPIDISA-N 435.475 2.767 0 40 IFAB CC(C)Cn1c(N)c(C(=O)CSc2ncc(-c3ccccc3)n2C2CC2)c(=O)[nH]c1=O 12189173 KYUZYJULLQZHDL-UHFFFAOYSA-N 439.541 2.948 0 40 IFAB O=C(c1ccc(N2CCCCS2(=O)=O)cc1Cl)N1CCN(c2ccccn2)CC1 12194768 NUPOCGUYENKWIV-UHFFFAOYSA-N 434.949 2.627 0 40 IFAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N[C@H]1CCS(=O)(=O)C1 12409866 GYPXKFNWQAJZEW-KRWDZBQOSA-N 441.505 2.705 0 40 IFAB biogenic NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1 12414608 QMVGIQFOESICLW-UHFFFAOYSA-N 436.537 2.695 0 40 IFAB Cc1cccc(-n2c(C)nnc2S[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 12552782 GTYBYQKSGJGAGX-MRXNPFEDSA-N 439.541 2.942 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cnc(SC)n2-c2ccccc2)NC(=O)N[C@H]1CC 12628749 PLFCIBRMBROFDH-AWEZNQCLSA-N 444.513 2.660 0 40 IFAB CC(=O)N[C@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@@H](c3ccco3)O[C@H]2[C@@H]1O 12902373 FYTGFTLKWMSTHB-YTAOHXRWSA-N 425.437 2.516 0 40 IFAB biogenic COc1ccc(C(=O)Nn2c(C3CC3)nc3cc(OC)c(OC)cc3c2=O)cc1OC 13084212 JGHOBCHSYREZIJ-UHFFFAOYSA-N 425.441 2.692 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c2ccccc2O1 13114248 UOLRLHBXHHATMZ-OAQYLSRUSA-N 440.459 2.540 0 40 IFAB COc1cccc(C(=O)N(c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C2CCCC2)c1 13163658 KCRMKIXHJKPFFN-UHFFFAOYSA-N 434.496 2.765 0 40 IFAB Cc1ccc(OCc2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)n2N)c(C)c1 13164152 DIGVMTLBFLIRTQ-UHFFFAOYSA-N 447.586 2.730 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1 13501950 FXWBDBWPYNOJAH-SFHVURJKSA-N 444.557 2.807 0 40 IFAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 13647024 GGUARDSGKFHZBB-GOSISDBHSA-N 437.606 2.864 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2nccc2C)cc1 14066373 BXXKUOUBJPNDRX-HXUWFJFHSA-N 441.557 2.626 0 40 IFAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2 17307930 OWHHLGJARGPMKN-MRXNPFEDSA-N 431.514 2.849 0 40 IFAB CCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2C1 17316656 VZCSBOLKFWGZRD-UHFFFAOYSA-N 434.514 2.673 0 40 IFAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1cc2c(cc1Br)OCCO2 18263452 PFLAQGDHYWHDTO-UHFFFAOYSA-N 442.287 2.949 0 40 IFAB COc1cc2cc(N)c(C3CCN(C(=O)CN4C[C@@H](C)O[C@H](C)C4)CC3)nc2cc1OC 19497400 JDDFZLLWTILDIX-HZPDHXFCSA-N 442.560 2.649 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(c2nc(C)cc(C)n2)CCO1 19702631 CRVLCCGXJBGBIA-INIZCTEOSA-N 427.530 2.657 0 40 IFAB COc1ccccc1C(=O)N1CCC[C@H](c2nc(CN(C)C(C)=O)cc(N(C)C)n2)C1 19709626 WMPHHYCDHMXCRB-KRWDZBQOSA-N 425.533 2.549 0 40 IFAB Cc1nc([C@@H]2CCCCN2CC(=O)N(C)C)nc2c1CCC(=O)N2CCc1ccccc1 19740930 BICNVUPWSUDHHN-NRFANRHFSA-N 435.572 2.922 0 40 IFAB CC[C@H](C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCOCC1 19746160 LPLNOMWZNFUBMO-QGZVFWFLSA-N 439.438 2.590 0 40 IFAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O 20105205 DLXQAULDXIPESD-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 21010334 APHRSBJADIFTIZ-AWEZNQCLSA-N 437.465 2.679 0 40 IFAB COc1cccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22332186 SDTXRVYGCDVUOU-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc1 23652326 GPMQOIBWFMNVKD-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB CCc1nn2c(=O)cc(CSc3nc4sc5c(c4c(=O)n3C)CCC5)nc2s1 25726967 CDGRQIMEMRXHIZ-UHFFFAOYSA-N 431.568 2.803 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 28668533 GUDDALKIVWRFRE-SFHVURJKSA-N 441.557 2.820 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(C)cc3)C2)cc1 31240923 CBZNZESJERKLQP-GOSISDBHSA-N 432.542 2.600 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1 32699447 XKORJOUUKLXBFC-UHFFFAOYSA-N 432.523 2.503 0 40 IFAB CC[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O 32947222 AJTFAPPQWZJZOY-MNOVXSKESA-N 428.352 2.547 0 40 IFAB COC(=O)CCCNC(=O)c1cc(Br)ccc1I 32971827 UKENKPFRRJCSCI-UHFFFAOYSA-N 426.048 2.737 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1OC 33617760 HVXHKIKFXGPYFW-NSHDSACASA-N 443.319 2.772 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 35421715 XNGSYTQVOGQPHW-UXHICEINSA-N 429.586 2.610 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3Cl)CC2)cc1C 35504093 WPBSOUVGPLOORX-UHFFFAOYSA-N 435.977 2.580 0 40 IFAB CC1CCN(C(=O)[C@H](NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)CC1 48373944 XXWUZJSOZHBCPS-HSZRJFAPSA-N 436.556 2.916 0 40 IFAB CS(=O)(=O)N(Cc1ccccc1)Cc1ncc(C(=O)O)c(NCc2ccccc2)n1 49469888 WGFAFAIPUUBTDT-UHFFFAOYSA-N 426.498 2.749 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)ncn3n2)cc1 51316934 GUJUYBGGBUPOJX-UHFFFAOYSA-N 425.395 2.874 0 40 IFAB COCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 57773988 RUHUAFHZJAZHGV-HSZRJFAPSA-N 443.544 2.823 0 40 IFAB CSc1nnnn1-c1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 69458970 BDKBRBBEDUUDKO-SFHVURJKSA-N 425.518 2.992 0 40 IFAB C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(c2nccn2C)CC1 72308100 CNRLAVPQHBGYAO-CYBMUJFWSA-N 432.500 2.971 0 40 IFAB CNc1cc([C@H]2CCCN(C(=O)COc3ccc(F)cc3F)C2)nc(CN(C)C(C)=O)n1 72370136 LZOHHSHQIUUTPF-HNNXBMFYSA-N 447.486 2.560 0 40 IFAB COCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1ccc2c(c1)OCCO2 72453369 DAPTZHGJZZUVKN-KRWDZBQOSA-N 434.452 2.990 0 40 IFAB CCN1C(=O)[C@H]2CN(C(=O)c3cn(-c4ccc(C)cc4)nc3-c3ccccc3)CCN2C1=O 79026171 NRIBAHPJORDQIQ-OAQYLSRUSA-N 443.507 2.956 0 40 IFAB CCOC(=O)C1=C(CN2CCN(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 101542071 YWXSBLWPYAOGPT-NRFANRHFSA-N 440.569 2.737 0 40 IFAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220647774 MUMQJSHQBMJFLN-IBGZPJMESA-N 434.514 2.974 0 40 IFAB C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222678193 IZEINMLCTLUSQS-GFCCVEGCSA-N 442.896 2.894 0 40 IFAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-n1cnnc1 223526891 SCAZZFNGUYNAHS-RTWAWAEBSA-N 430.541 2.971 0 40 IFAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)s1 223969836 ICHHQYFJNHXDPY-NSHDSACASA-N 430.577 2.842 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)N3CCC(C(N)=O)CC3)c2)cc1 224342325 FHHIGHLAGLMTRY-UHFFFAOYSA-N 449.960 2.811 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCCn1nc(C)cc1C)NC2=O 247961109 QSDYHZULMVYJGK-UDABPDOUSA-N 438.528 2.580 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 408669093 MRIUVBYYKAEIAS-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB COc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)NCCc1ccccc1 408713591 IUVOQMJOWDVRKJ-UHFFFAOYSA-N 425.510 2.541 0 40 IFAB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](C2)OC(=O)[C@H]1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 504437657 OPYGUEHXILVUGD-OMYPVJSASA-N 438.568 2.794 0 40 IFAB biogenic COCc1nc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)co1 547513067 RTUDKCXIWHIMNP-IBGZPJMESA-N 426.473 2.846 0 40 IFAB O=C(Cc1ccccc1)N1CCO[C@]2(C1)C(=O)N(CC1CCOCC1)C[C@@H]2c1ccccc1 585106936 LPCRWHHUKFZOHY-SQHAQQRYSA-N 448.563 2.879 0 40 IFAB COC[C@@]1(CNC(=O)NC[C@]2(COC)OCCc3ccccc32)OCCc2ccccc21 685907841 GPBHJFNVAYUQFY-JWQCQUIFSA-N 440.540 2.515 0 40 IFAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)Nc1cc2oc(O)nc2cc1F 1632546615 CUOVGUKUZHTXRR-NENOFTIXSA-N 441.337 2.597 0 40 IFAB C[C@@H]1CCCCN1C(=O)CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12 1325737 MEFITKBJQNLULR-MRXNPFEDSA-N 440.573 2.800 0 40 IFAB COc1ccc(CN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1OC 2232526 AVGCHVXIXLJDLL-INIZCTEOSA-N 431.489 2.799 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1 3281108 ZGHMBPNJKBXXOG-FQEVSTJZSA-N 429.448 2.720 0 40 IFAB COC(=O)[C@H]1[C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O 4108347 LNRRHEGBTGNKRX-VMIIQTFKSA-N 426.465 2.651 0 40 IFAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC 5706734 YAMQCWSSFXUFGP-MAODMQOUSA-N 442.512 2.934 0 40 IFAB COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2c1 6282864 CIHJLLWHVWHXIY-NRFANRHFSA-N 434.475 2.896 0 40 IFAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2)c1cccnc1 8300357 NBCCEXKJGRSHPQ-MAUKXSAKSA-N 432.455 2.894 0 40 IFAB biogenic,in-vitro COc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 8722883 UEWKPCZAPGTTGO-ROUUACIJSA-N 442.512 2.609 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N1CCNC1=O 8759599 NSEWKZVBMXWAJX-UHFFFAOYSA-N 432.864 2.822 0 40 IFAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccco2)C1=O)c1ccc2c(c1)OCCCO2 9666759 REBHIRRCRVXRFA-NFBKMPQASA-N 441.484 2.721 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 9671475 OFMWKKISVRUFGC-UHFFFAOYSA-N 445.585 2.535 0 40 IFAB CCOCCn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 9713200 RNPIULXVFSBEBV-UHFFFAOYSA-N 429.480 2.842 0 40 IFAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 9740151 PMVSCKWXVSUUKI-IBGZPJMESA-N 446.912 2.881 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C)c(C)c5)CC4)ncnc32)c1 9850689 SQBHENOBNXEZOZ-UHFFFAOYSA-N 443.511 2.798 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@H]1c1ccccc1 9865201 XMXKDUMLYQOFIZ-FQEVSTJZSA-N 437.452 2.673 0 40 IFAB Cn1c(C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc2)nc2ccccc21 10116295 YFYJKULXRHJWJI-HXUWFJFHSA-N 434.521 2.935 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10303116 DWLMGMRVUCRXHG-UHFFFAOYSA-N 436.461 2.602 0 40 IFAB CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 11689706 KAUDLHMWVQKUCD-UHFFFAOYSA-N 432.420 2.664 0 40 IFAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCCC[C@H]1CCn1ccnc1 12246479 YCNSQNADCJSOHN-SFHVURJKSA-N 448.556 2.946 0 40 IFAB CC(C)C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12765739 ZCHUQDGMAGXSQB-FJIDUMEYSA-N 444.532 2.700 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3csc4c3CCCC4)CC2)c1 12771872 LGUIMNLJSATPOJ-UHFFFAOYSA-N 432.567 2.976 0 40 IFAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 12902583 SIXUSIJBZINQEI-GOSISDBHSA-N 431.533 2.674 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)cc1 12947624 MAZWEYGCLXRTJI-UHFFFAOYSA-N 426.494 2.990 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 13002515 QUSFOQFLWOTENE-MRXNPFEDSA-N 429.904 2.794 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)C[C@@H](C)O1 13149911 ZPRIMQCHBBWGQF-IYBDPMFKSA-N 438.571 2.741 0 40 IFAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)COC[C@@H]4CCCCO4)C3)cc2n1 13225638 QWFQWPWHNDAGTJ-GJZGRUSLSA-N 426.439 2.958 0 40 IFAB COc1ccccc1-c1noc(CNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)n1 13236186 CIEBJVNTFPNHHI-QGZVFWFLSA-N 435.440 2.722 0 40 IFAB CCn1ncc(-c2ccnc3c(C(=O)NCc4nn(C)c(Cl)c4Cl)cnn23)c1C 13644722 AGYOJRRTADESPA-UHFFFAOYSA-N 433.303 2.891 0 40 IFAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 13692328 XVEUBSIQROLBBH-XXBNENTESA-N 438.505 2.702 0 40 IFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13802091 WEKCKYBBWNERRO-HNNXBMFYSA-N 439.443 2.752 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574510 CFUAPFMZRLYIIQ-KBPBESRZSA-N 435.406 2.790 0 40 IFAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 14688381 LMCRKVPMIPVKEW-UHFFFAOYSA-N 436.549 2.793 0 40 IFAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(-n2cnnn2)cc1 16044349 HYVXEOBVECVSQM-UHFFFAOYSA-N 426.436 2.830 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@@H](c1ccccc1)c1cccs1 18970213 DFTYCDGIVFLCED-FQEVSTJZSA-N 433.489 2.945 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3ccccn3)CC2)on1 19123051 HKRPFWVIFQDOPM-UHFFFAOYSA-N 434.500 2.691 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3snnc3C)CCO2)c1 19692794 LBGIKGDEAMJEAK-KRWDZBQOSA-N 440.529 2.592 0 40 IFAB CCN(c1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1)S(C)(=O)=O 19937810 KZQZSLHLDMGQOP-UHFFFAOYSA-N 445.585 2.817 0 40 IFAB Cc1c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(=O)n(-c2ccccc2)n1C 19990518 FLVQDAHRGIDASV-UHFFFAOYSA-N 426.860 2.502 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccccc1F 20453455 CGSQGPFFPTXKFX-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC2(c3noc(C)n3)CCCCC2)C1=O 23508010 FBYRNQZJQRTGKF-QFIPXVFZSA-N 425.489 2.511 0 40 IFAB COc1ccc([C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)N2CCOCC2)cc1 23805979 IRHPEKPQHVPSME-HSZRJFAPSA-N 437.540 2.554 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ncc(C)s1 32074850 KXJKXKCWBZANSU-HOCLYGCPSA-N 432.571 2.681 0 40 IFAB COc1cc(/C=C/C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(Cl)c1OC(C)C 32771008 NJGPHKYREATXLA-AATRIKPKSA-N 430.954 2.689 0 40 IFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(Cn2cncn2)cc1 32868943 WYBVLJCSXGIXDD-HXUWFJFHSA-N 427.455 2.675 0 40 IFAB CCCn1c(=O)n(C)c(=O)c2c(SCCC(=O)NC3CCCCC3)nc(C(C)C)nc21 32870897 WHGPYYJSQOTILS-UHFFFAOYSA-N 447.605 2.955 0 40 IFAB CCOc1ccc([C@@H](c2nnnn2CCOC)N2CCN(c3ccc(F)cc3)CC2)cc1 35289938 KXCYZKBLCZRBEL-QFIPXVFZSA-N 440.523 2.769 0 40 IFAB Cc1c(N[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c(=O)n(-c2ccccc2)n1C 35682708 MPMLYLFZNSBTHL-IBGZPJMESA-N 435.528 2.939 0 40 IFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)n1 48236952 RFNRBQQCVIRMBL-FYSMJZIKSA-N 437.544 2.641 0 40 IFAB COc1ccc(CN(Cc2nc(Cc3ccccc3)no2)[C@H]2CCS(=O)(=O)C2)cc1 48326544 GVOZDFUUPMXCGP-IBGZPJMESA-N 427.526 2.858 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@H](c3cccc(C)c3)C3=C2COC3=O)c(OC)c1 49403049 FBWUYFJAROBJCW-OAQYLSRUSA-N 437.452 2.528 0 40 IFAB O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1 49550250 SHFFZSRTCXFKRR-UHFFFAOYSA-N 435.572 2.572 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 55408632 AOLWPHSCDQGXKY-ZWKOTPCHSA-N 438.908 2.502 0 40 IFAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nn2)n1 62163988 LSFYHLTUTTWWPP-QGZVFWFLSA-N 434.500 2.905 0 40 IFAB O=C(CN1CCC(CN2CCOCC2)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 62581711 RZSOWJKLDOUWFP-HSZRJFAPSA-N 449.039 2.637 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N4CCCc5ccccc54)c(=O)n3c(C)n2)cc1 67226518 IPCLMSYDNLUWJT-UHFFFAOYSA-N 429.480 2.854 0 40 IFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1=O 67256625 WUUXZZXJAMHJIW-UHFFFAOYSA-N 444.285 2.799 0 40 IFAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(C(=O)O)cc3)n2)cc1 67898828 ARPKWOFDYIEHQI-FQEVSTJZSA-N 441.509 2.752 0 40 IFAB biogenic,in-vitro COC(=O)c1nc(NC(=O)COc2cn(C)c(C)cc2=O)sc1CCc1ccccc1 72405202 WBEWJIMVBSUDIM-UHFFFAOYSA-N 441.509 2.740 0 40 IFAB CCS(=O)(=O)c1ccc(C(=O)O)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 84811636 FXEPQRAWDACACM-UHFFFAOYSA-N 437.417 2.998 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1cccc(C)c1 96521157 BBHRFODQAAKMCA-WDEREUQCSA-N 433.105 2.947 0 40 IFAB C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 96689446 PWJZIBYSUKSFIX-QGZVFWFLSA-N 434.496 2.951 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1 100036737 XHVRNTPDGGNIOS-ROUUACIJSA-N 427.848 2.589 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@H](O4)[C@@H](C(=O)NC4CCCC4)[C@H]5C3=O)nc2c1 101431009 IYFIFVRJEYGKAR-KANGHSEISA-N 425.510 2.650 0 40 IFAB O=C(NCCn1nc(-c2cccnc2)n(C2CC2)c1=O)c1ccccc1Br 206636970 FZWPFAAJOJALJF-UHFFFAOYSA-N 428.290 2.634 0 40 IFAB COc1ccc(N(CCCC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)cc1 222607884 DQYHQYDJPQGDBZ-UHFFFAOYSA-N 433.574 2.884 0 40 IFAB CN(CC(=O)NCC1(c2ccccc2)CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 223899627 CGEYLUYOAQASQJ-UHFFFAOYSA-N 436.961 2.825 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCN(C(C)C)CC1)NC2=O 247974514 FFOCZTRFLMQFOT-UDABPDOUSA-N 427.545 2.503 0 40 IFAB O=C(COc1ccc(/C=c2\sc3ncnn3c2=O)cc1)Nc1ccccc1C(F)(F)F 256055629 NSJOGGHNGRDIFK-SXGWCWSVSA-N 446.410 2.735 0 40 IFAB COc1ccc2c(c1)C=C(C(=O)N1CCO[C@H](c3cccc(Nc4ncccn4)n3)C1)CO2 257330854 XQHNQYSSHXBRRS-NRFANRHFSA-N 445.479 3.000 0 40 IFAB O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 306142469 XABDUZURZXKZKI-UHFFFAOYSA-N 437.544 2.908 0 40 IFAB CCOC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 408732847 ZWLMQQAKMCPHCQ-FQEVSTJZSA-N 440.456 2.893 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCOC)S(=O)(=O)c1ccc(Cl)cc1 409129288 JFXKHAXYCBHBDM-UHFFFAOYSA-N 426.922 2.697 0 40 IFAB COCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 409388132 CDUYAMWEZDQDRD-UHFFFAOYSA-N 434.558 2.968 0 40 IFAB O=C(NCCCNC(=O)C1=Cc2cc(F)ccc2OC1)C1=Cc2cc(F)ccc2OC1 553178230 HEGGURJXCAUPGF-UHFFFAOYSA-N 426.419 2.839 0 40 IFAB O=C(c1cc(O)nc2ccc(F)cc12)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 606168686 LSMNVYUSTVMCNQ-UHFFFAOYSA-N 449.891 2.880 0 40 IFAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CCC[C@H]1c1nnc2ccccn12 1565524870 RQEBMOGHCSFOLA-FQEVSTJZSA-N 445.523 2.988 0 40 IFAB COc1cc(-c2noc(Cn3ccn(C4CCCCC4)c(=O)c3=O)n2)cc(OC)c1OC 1775967725 ARMXRWBQOKVYID-UHFFFAOYSA-N 442.472 2.639 0 40 IFAB Cc1c(NC(=O)[C@@H](C)OC(=O)COc2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C 2619933 ZVKZEVIMYWJEAV-QGZVFWFLSA-N 449.507 2.922 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 2639431 LHGYTJDRSKZZAJ-QHCPKHFHSA-N 441.597 2.729 0 40 IFAB aggregator CCn1ncc(NC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)c1C(=O)N(C)C 2805378 DYPHBVWYWMJBIR-UHFFFAOYSA-N 440.456 2.816 0 40 IFAB Cc1nc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2c3c(sc2n1)CCCC3 3358239 JJYJREPXSCPVEI-GFCCVEGCSA-N 425.601 2.616 0 40 IFAB CN(C)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1 4057647 LBXGXBRKMNNCIQ-UHFFFAOYSA-N 428.492 2.916 0 40 IFAB aggregator CCN1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 6953276 OSZIGCFMCCSASV-UHFFFAOYSA-N 429.586 2.971 0 40 IFAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 8584763 IRUGXSLUUXNGHP-HXUWFJFHSA-N 426.494 2.536 0 40 IFAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)COc3ccc(F)cc3)c2n1 8946069 MOAZYAGPFSLVBE-UHFFFAOYSA-N 444.536 2.873 0 40 IFAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 9016118 KRGQRVSZJGZMFG-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@H]1c1cccs1 9254756 LCMSBGHDAGUQBI-HNNXBMFYSA-N 426.585 2.737 0 40 IFAB COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 9282323 QOYBWXUSTBFNHQ-HNNXBMFYSA-N 449.486 2.881 0 40 IFAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC 9408883 QDGMPZMXICCCNO-ZILOHOTNSA-N 438.480 2.931 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 9426250 MEQUQAJVQWRJRK-UWHHFBIGSA-N 447.443 2.619 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1O 9440760 MIXWGSOSMRXLIU-ZCRIDZFUSA-N 444.509 2.881 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(-n2cccc2)c1 9469233 NQNBIGTYBJDVBI-UHFFFAOYSA-N 441.509 2.759 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1C 9725187 AZKOZDQPRJONLH-UHFFFAOYSA-N 431.543 2.522 0 40 IFAB CCCn1c(C)cn2c3c(=O)n(Cc4ccc(Br)cc4)c(=O)n(C)c3nc12 9829528 BFOVWJXHSNFRAI-UHFFFAOYSA-N 430.306 2.679 0 40 IFAB O=C(CCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 10220126 HCJZIGMKYNRECL-UHFFFAOYSA-N 436.480 2.851 0 40 IFAB CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC(C)(C)N1 10818174 HCKNNMPSZFNTHJ-UHFFFAOYSA-N 443.560 2.791 0 40 IFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1Cl 12029732 QILGFGZLPWIUMW-OAHLLOKOSA-N 443.930 2.562 0 40 IFAB CCCOc1cc(N2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)nc(C)n1 12224812 XAJNQPFTSBUFLY-UHFFFAOYSA-N 434.562 2.710 0 40 IFAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 12229943 WKUZFLOMYMRPCI-SFHVURJKSA-N 425.510 2.848 0 40 IFAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)C2)on1 12251882 YISBCSRARRMOQT-ZDUSSCGKSA-N 436.497 2.687 0 40 IFAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 12760504 KTYBAWIEMCPEFK-UHFFFAOYSA-N 441.553 2.637 0 40 IFAB C[C@@H](NC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccccc1 12763539 CXNVEUFVUIBBAL-QZTJIDSGSA-N 433.549 2.788 0 40 IFAB COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 16045426 PGDPJKNMADOCOZ-VQTJNVASSA-N 443.569 2.551 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 16680356 LTOZCZIKKDAIMX-DMZKTXOQSA-N 438.509 2.595 0 40 IFAB O=C(COc1ccc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)cc1)N1CCOCC1 19372754 SXYKNUZXTHAKJF-LOSJGSFVSA-N 449.595 2.816 0 40 IFAB CCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527680 VUIWKZKSOBFEJR-HXUWFJFHSA-N 447.539 2.503 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2cccnc2)CCO1 19580795 FUMHLWDLASFECK-RUZDIDTESA-N 430.508 2.686 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2ccccc2)CCO1 19591838 IUCAPJJUFLRMAN-AREMUKBSSA-N 429.520 2.877 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)c2ccc(COC)cc2)nc2c1CN(C(C)=O)CC2 19710362 GSRHGZQMPQLKJV-OAQYLSRUSA-N 437.544 2.937 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CCN(C(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)C2 19710910 WOSFIEZZROZPEI-HXUWFJFHSA-N 442.995 2.826 0 40 IFAB Cc1nc([C@H]2CCCN(CC(=O)N3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 19744520 VORMEUIWFVFDCE-NRFANRHFSA-N 447.583 2.719 0 40 IFAB O=C(c1cccnc1)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 19819336 WWRNGAATHINTBP-UHFFFAOYSA-N 437.477 2.857 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1C 20013686 BQWODDOZYJJUQY-HNNXBMFYSA-N 436.530 2.519 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc2c(c1)OCCO2 20492956 WILSNDVIBZJIFB-IBGZPJMESA-N 430.526 2.808 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(OC)c(C)c2)cc1 22227844 ZKWXWQYUYQKHSK-UHFFFAOYSA-N 440.587 2.555 0 40 IFAB CCOc1ccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1 23139251 IHHXRZGHOLJPGW-KRWDZBQOSA-N 444.557 2.505 0 40 IFAB O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(N2CCOCC2)cc1 24864835 KJGZZPAXEJIHNH-UHFFFAOYSA-N 442.947 2.573 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 30220516 DUZRMICIYLDCEM-QFIPXVFZSA-N 438.553 2.709 0 40 IFAB COc1ccnc(N2CCC(C(=O)O[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)n1 31180517 LMTVZODTBLTUGD-GFCCVEGCSA-N 443.529 2.921 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 37203334 QTXQWRNWSODHMR-ZACQAIPSSA-N 432.542 2.984 0 40 IFAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 40116728 JZZJTDFQZRZUMR-SFHVURJKSA-N 426.416 2.946 0 40 IFAB COc1ccc(C(=O)COC(=O)CCNC(=O)CCC(=O)c2cccs2)cc1OC 49574825 SZSWFLXAOMFJCV-UHFFFAOYSA-N 433.482 2.661 0 40 IFAB CN(C(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1C(=O)NCc1ccco1 57327397 ZVNYZZUMTDCCQZ-UHFFFAOYSA-N 432.524 2.995 0 40 IFAB CN1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)CC1 72347981 ICIYNRBLKPZGFP-NRFANRHFSA-N 443.555 2.705 0 40 IFAB O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 79183124 KHDIPRASSOBSKM-QZTJIDSGSA-N 432.480 2.688 0 40 IFAB Cc1nc(-c2ccco2)sc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 90593380 MCYJUKWUUGCGIO-UHFFFAOYSA-N 447.538 2.662 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc(-c4ccccn4)cs3)C2=O)cc1 95474550 OSGZZXJTEBNOTH-INIZCTEOSA-N 437.481 2.663 0 40 IFAB COCCN(C(=O)Nc1ccccc1N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 97032907 ZJBNZWWBIWTUCP-LJQANCHMSA-N 431.558 2.990 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3ccc(F)cc3)C2=O)cc1 97996371 YCDOZOLLIMHSGG-LDADJPATSA-N 441.484 2.717 0 40 IFAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 219221018 VRFAXRBZVGQHIP-IBGZPJMESA-N 436.555 2.647 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)c1 219260280 ZWXSSVGTXHYBSK-MRXNPFEDSA-N 446.554 2.824 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1N1C(=O)CCC1=O 223833940 NAYLWPVRCCMZBX-UHFFFAOYSA-N 446.525 2.829 0 40 IFAB O=S(=O)(Cc1noc2ccccc12)NCc1nnc2ccc(-c3cccs3)nn12 238849477 JCUXPRQICFNTPI-UHFFFAOYSA-N 426.483 2.614 0 40 IFAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)c1F 253473900 ZNQCVUVVAHGYHS-LBPRGKRZSA-N 435.399 2.919 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257318963 VQCQRAJPTZMKHL-FQEVSTJZSA-N 432.524 2.798 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 408597519 XFRPZPZXVODTNY-CABCVRRESA-N 440.949 2.909 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 408636538 RVFJJHWLJRTWBW-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1ccc2c(c1)OCO2 408702549 BOGNGPRKEJGJNI-UHFFFAOYSA-N 440.543 2.604 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 408713683 LRDXZBAXWFWWOI-SFHVURJKSA-N 432.517 2.820 0 40 IFAB Cc1cc(N(C)C2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)ncn1 1775976409 ZRIJHILRBSVBOQ-UHFFFAOYSA-N 430.452 2.973 0 40 IFAB O=C(CN1CCC(NS(=O)(=O)C2CC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 2087073114 GWAYXFHSBFTNRR-UHFFFAOYSA-N 439.887 2.844 0 40 IFAB COC(=O)c1c(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)sc2c1CCCC2 798635 BPEZSMUVLSVYJG-UHFFFAOYSA-N 440.518 2.957 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1c(F)cccc1Cl 2382209 JKQSAVDNEINSSR-UHFFFAOYSA-N 442.921 2.673 0 40 IFAB CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 3428028 VCVAUKNCINQFNY-UHFFFAOYSA-N 436.555 2.643 0 40 IFAB CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1 4897680 LZRNRACGBGYEAS-JOCHJYFZSA-N 425.504 2.602 0 40 IFAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCCc1ccccc1 6577930 MXITZLMRWBNQGT-UHFFFAOYSA-N 439.566 2.691 0 40 IFAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1OC 8741781 PWOBWFHKKKSBMV-VBQJREDUSA-N 430.404 2.869 0 40 IFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCn2cnc3c(C)cccc3c2=O)c1 8750488 STRGPTDAMKAQCY-UHFFFAOYSA-N 429.498 2.623 0 40 IFAB CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)N1 8764233 MUKRCJBRCWHPMC-NYHFZMIOSA-N 446.507 2.794 0 40 IFAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1C 8901368 FMGPKODLPPPIFJ-UHFFFAOYSA-N 427.910 2.964 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N3CCCCCC3)CC2)cc1 8981324 KDZWMXNGDCRKHQ-GOSISDBHSA-N 436.574 2.730 0 40 IFAB CCc1cccc(CC)c1NC(=O)Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21 9000991 JUHNTKIFPISFNV-UHFFFAOYSA-N 443.507 2.765 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc3ccc(-c4ccc(OC)cc4)nn23)s1 9240792 WFLCOIRMZOKLDV-UHFFFAOYSA-N 427.515 2.945 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)Nc1ccccc1C(F)(F)F 9412667 SZCKMNVOMMNKKJ-UHFFFAOYSA-N 446.364 2.833 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 9594364 OFBMAHKVFWEGLO-UHFFFAOYSA-N 440.905 2.769 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1 9866982 GZPFDLLPUBTDGO-UHFFFAOYSA-N 446.550 2.970 0 40 IFAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1ncc(Cl)cc1Cl 9959889 FHDMEHSGCSZQIB-VIFPVBQESA-N 432.285 2.944 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1C 9974592 ZYPRKWAYCSGLQF-HXUWFJFHSA-N 428.554 2.989 0 40 IFAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 11401175 MEPJRPFKXOIHIS-UHFFFAOYSA-N 443.521 2.544 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H]1Cn1nnc(-c2ccccn2)n1 12142298 UNERUXBKZZLDCO-QGZVFWFLSA-N 442.545 2.720 0 40 IFAB Cc1occc1-c1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)ncc1-c1cnccn1 12252510 BTGXBSHAHYACEA-UHFFFAOYSA-N 447.543 2.812 0 40 IFAB O=C1C[C@@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 12360618 OMNIPEYDWPBNAE-MRXNPFEDSA-N 436.846 2.704 0 40 IFAB CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 12469753 XBGRXJILLRDHNG-MLHJIOFPSA-N 433.457 2.634 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 12521098 AGFHLXIVAPOKSH-UHFFFAOYSA-N 448.526 2.704 0 40 IFAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cn1 12522204 KUUOYVSCVQNYRC-UHFFFAOYSA-N 432.546 2.731 0 40 IFAB NC(=O)c1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(N)=O)c1 12549109 ZSWCVIHDCZWFFX-UHFFFAOYSA-N 449.307 2.940 0 40 IFAB COc1ccc(NC(=O)c2csc3c2CCCC3)cc1S(=O)(=O)N1CCOCC1 12550070 XVYXBQRCIRLIDB-UHFFFAOYSA-N 436.555 2.909 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)N1CCc2ccccc21 12692612 KHWRVNKAKVQPLY-UHFFFAOYSA-N 442.537 2.838 0 40 IFAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cnn1-c1ccccc1 12777661 RNURGZKSOGYVEN-UHFFFAOYSA-N 446.479 2.606 0 40 IFAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 13148354 ZXSULYURNCHPIY-FQEVSTJZSA-N 440.452 2.862 0 40 IFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 13165069 QABWXLRWXVRTKQ-UHFFFAOYSA-N 449.617 2.626 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1N1CCOCC1 13687698 XODGCCLVIWBOLI-UHFFFAOYSA-N 446.456 2.921 0 40 IFAB C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)N1CCC2(CC1)OCCO2 13723512 OFBQGIHKCULTFF-INIZCTEOSA-N 435.480 2.979 0 40 IFAB CN(C(=O)CSc1nnc(C2CC2)n1C)c1ccccc1C(=O)NCc1ccco1 14200551 NULUZXGCVMBSNE-UHFFFAOYSA-N 425.514 2.971 0 40 IFAB CC(C)OCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 14226513 TZDNGVZWXVDJQU-UHFFFAOYSA-N 432.542 2.563 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@@H]1c1ccco1 15402563 BFPGTTFEWOXYJQ-HXUWFJFHSA-N 444.919 2.926 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 16000911 QDIVEPMMRUVSFG-KRWDZBQOSA-N 437.496 2.931 0 40 IFAB COc1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1S(=O)(=O)N1CCCC1 16005011 DSXXLQQXEHURFL-MRCUWXFGSA-N 431.539 2.774 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccccc1Cl 16011905 ZBMSHHNCKGMYTQ-SUWCGCSTSA-N 425.847 2.910 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C(C)(C)C)C4)nn3c(O)c2C1 19085964 CQGJZHDRMJFTSR-HNNXBMFYSA-N 427.549 2.728 0 40 IFAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)Cc4cccnc4)CCO3)c2)cc1 19212695 RJIBSABHZQHULE-SANMLTNESA-N 429.520 2.925 0 40 IFAB Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)c(=O)[nH]c2c1 19221938 RDVJMIQJPVMQAV-DENIHFKCSA-N 433.560 2.808 0 40 IFAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCCOc3ccc(F)cc3)c2C1 19711294 MIRYUCQJDMEWRS-QGZVFWFLSA-N 427.524 2.820 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1CCCN2Cc1ccccn1 19752494 NBMSMABJWKIHSS-NRFANRHFSA-N 448.571 2.809 0 40 IFAB CCCn1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)nc2ccccc21 21355594 XOUOFRSIWWYIAG-HSZRJFAPSA-N 435.484 2.861 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cn2cncn2)cc1 21898669 NQVQIRFIRVUGOV-UHFFFAOYSA-N 439.541 2.560 0 40 IFAB COc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1OC 22334180 QVRJQVKKLWTWAN-QGZVFWFLSA-N 448.541 2.888 0 40 IFAB COc1cc(Br)c(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)cc1OC 22959390 FXGBWPZZQFSUJO-UHFFFAOYSA-N 441.307 2.857 0 40 IFAB CS(=O)(=O)c1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 23307693 HMKOALXKKBEKEG-UHFFFAOYSA-N 427.448 2.856 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)n(C)c1 26865268 UJNQPAWSQLGBOX-OAQYLSRUSA-N 449.573 2.954 0 40 IFAB CCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 32825595 IPJUAYFWAJCLFY-UHFFFAOYSA-N 425.304 2.991 0 40 IFAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1cccnc1 36594782 DVHCWEYNGKGHHQ-LJQANCHMSA-N 439.903 2.980 0 40 IFAB COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cc(C)cc(C)c4)nn3)CC2)c1 49406412 SWRUOSVSIRVANB-UHFFFAOYSA-N 433.512 2.927 0 40 IFAB COc1cc(C(=O)N2CCC3(CC2)NC(=O)c2cc(C)ccc2N3C)cc(OC)c1OC 49410025 LKXJNVJJDIKGNB-UHFFFAOYSA-N 439.512 2.833 0 40 IFAB biogenic COC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)cc1 57426677 HLKNSHDREXSBQC-UHFFFAOYSA-N 429.498 2.696 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 58161237 IMHOUFHUBGSIME-SFHVURJKSA-N 431.558 2.646 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3F)c2C)cc1 67323221 XSKKFMXPRMYNJS-UHFFFAOYSA-N 443.410 2.932 0 40 IFAB CNS(=O)(=O)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)cc1OC 69454805 DAHNOXGXYGNWLZ-UHFFFAOYSA-N 434.440 2.826 0 40 IFAB C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 72306864 VNKFQNPMFVPCFE-GFCCVEGCSA-N 449.342 2.624 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4snnc4C)C3)c2)cn1 72353666 GFLOBJUKAXSBTG-INIZCTEOSA-N 436.541 2.991 0 40 IFAB O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)c1ccc(F)cc1I 95469333 DVTHQCJOIARVOO-CQSZACIVSA-N 428.176 2.715 0 40 IFAB COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)N=C2O)cc1 95476659 GDASMEXQOGZEFV-FQEVSTJZSA-N 434.452 2.906 0 40 IFAB COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)N(C)Cc3cccnc3)CC(=O)N(C)C2)c1 96113471 YTHNLFPMVDCFMS-FGZHOGPDSA-N 438.572 2.856 0 40 IFAB biogenic,in-vitro COc1ccccc1Oc1c(C)oc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc2c1=O 98037188 BTXUVJQGXORQMY-LBPRGKRZSA-N 427.409 2.870 0 40 IFAB C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)N2CCOCC2)C1 102340375 YISSZKJLHMMHPU-AVKRCAIGSA-N 444.553 2.807 0 40 IFAB COc1cc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)c(OC)cc1Cl 220054630 SEHDODAXCCKPMZ-UHFFFAOYSA-N 426.922 2.748 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOc3ccccc32)C1 222548720 RVQRAKWDIAIPAI-QGZVFWFLSA-N 430.526 2.830 0 40 IFAB CC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)s1 222968399 JDCSGTGLYVPGCY-UHFFFAOYSA-N 436.490 2.693 0 40 IFAB C[C@H]1Cc2cccc3c(=O)c(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cn1c23 223096501 CTIWPHLMKVDZIB-INIZCTEOSA-N 431.492 2.805 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223331064 UVCQJZFMWSSFOO-UHFFFAOYSA-N 432.527 2.781 0 40 IFAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)c1 223912180 ZTWRYYOYOUREJD-UHFFFAOYSA-N 431.470 2.661 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224995453 GBIQWYVIQGWIQC-HNNXBMFYSA-N 437.949 2.970 0 40 IFAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 257255080 KGACDFFDZQKAPH-OAQYLSRUSA-N 435.572 2.895 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)COc3ccccc3C)C2)cc1 260453368 LXNSWGVMUSGUDZ-RTBURBONSA-N 446.569 2.988 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c(OC)c1 408652204 FTEOLAIWNVHUKE-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccccc3C)n2C)cc1 409161552 VOEOAHMTVLOEGZ-UHFFFAOYSA-N 439.541 2.722 0 40 IFAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 501896034 DVWKYAKXVYMTGN-OPAMFIHVSA-N 445.922 2.899 0 40 IFAB Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N[C@H]3CCN(c4ccccn4)C3)cs2)c1 546210532 SYWHLSXVXFSMSL-HNNXBMFYSA-N 437.525 2.742 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 827608940 OCIZJTGFMSFSOU-CQSZACIVSA-N 430.507 2.671 0 40 IFAB CN(C)S(=O)(=O)c1cccc(CSCc2cccc(S(=O)(=O)N(C)C)c2)c1 2655080 NMCKETLUGKTIKJ-UHFFFAOYSA-N 428.601 2.621 0 40 IFAB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 3358215 FJJLFFUSDMVUEN-UHFFFAOYSA-N 448.526 2.644 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCc3ccccn3)cc2)cc1 6244071 LNMUOFUIEXGRJW-UHFFFAOYSA-N 439.537 2.953 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 8650633 KBNVPMWCNVPXFH-UHFFFAOYSA-N 441.505 2.954 0 40 IFAB Cc1nc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccs3)c2s1 8956016 SDPWQMFLZWETER-UHFFFAOYSA-N 440.506 2.935 0 40 IFAB Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9124953 NPIPSCSUESSBDO-UHFFFAOYSA-N 444.887 2.839 0 40 IFAB COc1ccccc1CNC(=O)Cn1c(=O)c2sccc2n(Cc2ccccc2)c1=O 9410341 IDHAHNNXGHFMAL-UHFFFAOYSA-N 435.505 2.598 0 40 IFAB Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1C 9526047 DXRCJWUULYCIQZ-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccccc1 9630444 COZCXKDCPHAIDQ-RDTXWAMCSA-N 427.284 2.985 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 9778826 GUCCOZIYITYYCT-QFIPXVFZSA-N 441.597 2.794 0 40 IFAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 10076286 PUCHOUPQRPKMFN-UHFFFAOYSA-N 436.555 2.710 0 40 IFAB CCc1ccc2c(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cc(=O)oc2c1 10745530 NSNCSIFCYVKSCE-FATZIPQQSA-N 426.469 2.899 0 40 IFAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(OC)cc2OC)CC1=O 11532233 DFENOOKIQPYSOE-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB COc1cc(OC)cc(C(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)c1 11693876 UBZIYYGWOWZZPK-UHFFFAOYSA-N 437.431 2.756 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 12542434 PQNHEIVHMGWQGK-FQEVSTJZSA-N 435.977 2.992 0 40 IFAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)CC(=O)Nc2ccccc2Br)C1=O 12882867 AFIMGEKPISPDLT-ZDUSSCGKSA-N 446.301 2.660 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c(C)c1 12995285 MWSUKIXERXWWHR-INIZCTEOSA-N 429.542 2.691 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1Cl 13042233 JCUCNTWZQGHOIM-AWEZNQCLSA-N 427.979 2.585 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3c(c2)CCC3)c1 13042372 ZMPSVBMBMDDXDE-UHFFFAOYSA-N 429.542 2.515 0 40 IFAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC(=O)c1ccccc1 14137060 LDHPQFYUKIOOFZ-UHFFFAOYSA-N 435.402 2.817 0 40 IFAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC 16681779 PAQOBKVTIDUNIS-UHFFFAOYSA-N 431.558 2.573 0 40 IFAB O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19403714 VTCJBEUCUJFONY-NRFANRHFSA-N 436.560 2.866 0 40 IFAB CC(=O)NCc1ccc([C@H]2CN(C(=O)Cc3ccc(C)c(C)c3)C[C@@H]2C(=O)N(C)C)cc1 19698693 XAFUZCLLCZXEIZ-RPWUZVMVSA-N 435.568 2.812 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 19858078 UWHAXHWWNXETPR-QGZVFWFLSA-N 430.526 2.947 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(Cl)cc1 20533818 YMVCERNXWFBABE-UHFFFAOYSA-N 425.872 2.766 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 20610721 CQCPNMABNNJHRU-YWNPBTLJSA-N 427.570 2.883 0 40 IFAB biogenic O=S(=O)(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 22227717 PYDSDCIEQOABEL-UHFFFAOYSA-N 428.963 2.646 0 40 IFAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CC(=O)NC3CC3)CC2)cc1 22797043 DCKJEJJFMRARKS-UHFFFAOYSA-N 445.567 2.944 0 40 IFAB CCOc1ccc(CCNS(=O)(=O)c2ccc([C@H]3CNC(=O)C3)cc2)cc1OCC 30836034 CZQMZNKVQWBIJA-GOSISDBHSA-N 432.542 2.609 0 40 IFAB O=C(CCc1nc(-c2ccsc2)no1)O[C@H](C(=O)N1CCOCC1)c1ccccc1 32776334 MBISWKGJCSQVQZ-IBGZPJMESA-N 427.482 2.874 0 40 IFAB C[C@H]1CCCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 32931218 CMMSCIVWPAJACM-INIZCTEOSA-N 427.998 2.976 0 40 IFAB CCOc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4C)c3=O)n2)cc1 38486640 SOIFEDXGKQRYPY-UHFFFAOYSA-N 443.467 2.842 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 38754929 NJTIOPKUQRBCTB-UHFFFAOYSA-N 437.537 2.586 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 40082508 IZAXCUUSEVLIQE-UHFFFAOYSA-N 430.464 2.587 0 40 IFAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccccc1 40391260 NVYHCTBZFCCDGU-UHFFFAOYSA-N 426.436 2.637 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c2O1 59019990 FZGWZKBAYWMXJH-UHFFFAOYSA-N 444.553 2.880 0 40 IFAB COc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1OC 67300973 YOIAXIPOXNALER-UHFFFAOYSA-N 441.459 2.549 0 40 IFAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2ccccc2Br)CC1 70461887 WVDRKYDGTWKKHK-UHFFFAOYSA-N 427.306 2.574 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc(F)cc2)C1 72314586 XRLXIHQWGFPPJV-SFHVURJKSA-N 425.507 2.698 0 40 IFAB CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cn1nnc2ccccc21 72324140 QHPNKIUCGTVJIQ-OAHLLOKOSA-N 438.438 2.528 0 40 IFAB CC(=O)c1c(C)nn(CC(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)c1C 72327809 LTOBMBOSIRGUMM-NTKDMRAZSA-N 438.528 2.724 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(Cc3ccccn3)C2)on1 72348048 AKULBWFWBPJRPI-LJQANCHMSA-N 433.560 2.966 0 40 IFAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)cc1 72398912 HCTOLNIVXIRJSQ-QGZVFWFLSA-N 448.567 2.883 0 40 IFAB Nc1noc(CCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)n1 78903518 JPZZYJLJUSGOIQ-UHFFFAOYSA-N 437.529 2.810 0 40 IFAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)cc1 89274585 WVKCZJLJGDOYCL-UHFFFAOYSA-N 437.587 2.962 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2ccc(CN(C)C)c(F)c2)C(C)C)c1 89791079 KMHJKOACIZBMKN-QFIPXVFZSA-N 445.535 2.975 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cnc(Cl)cc1Cl 89960984 SMBQKRSZZNLTJY-UHFFFAOYSA-N 446.312 2.809 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607992 DEGGDUFMTIBCDG-UHFFFAOYSA-N 433.472 2.741 0 40 IFAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4[C@@H]3Cc3ccccc3)ccc2[nH]1 95445250 UMQJLOGKWWAFBL-QFIPXVFZSA-N 447.516 2.747 0 40 IFAB O=C1C[C@H](N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 100090941 OMNIPEYDWPBNAE-INIZCTEOSA-N 436.846 2.704 0 40 IFAB O=C1C[C@@H](N2CCC(N3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccccc1 100191403 IFDYZNHAAXEGOF-HSZRJFAPSA-N 436.531 2.744 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1 107652708 WIAMMXPQTICGQQ-UHFFFAOYSA-N 427.482 2.586 0 40 IFAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)n1 222886935 YEDNVFZAFXJKLT-UHFFFAOYSA-N 438.509 2.823 0 40 IFAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(OC)c(C)c1 223230712 GGYYHOPCFDFCOR-NRFANRHFSA-N 445.585 2.821 0 40 IFAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 224420020 VDYUUTRDKDVZHF-GOSISDBHSA-N 428.554 2.866 0 40 IFAB O=C(c1cccc(-n2cccn2)c1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225546213 JFMBTDHVDZWTMI-UHFFFAOYSA-N 434.525 2.903 0 40 IFAB CCn1nc(C)c(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1C 390831271 QVVLVQCHKVDQMV-UHFFFAOYSA-N 446.499 2.584 0 40 IFAB COC[C@@H](C)NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 408630418 UFWGMLFXYMAKKI-CQSZACIVSA-N 426.922 2.695 0 40 IFAB CCN(CC)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408783771 MQWBEVAWYXDHQT-UHFFFAOYSA-N 434.558 2.806 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccccc4C(F)(F)F)C3)n2)n1 585605516 IRFHAPQPRLBOOO-UHFFFAOYSA-N 431.418 2.837 0 40 IFAB CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)N=c1cc[nH]cc1N(C)C 670082638 IIQKSCMCWXTVIP-UHFFFAOYSA-N 430.310 2.577 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cnc2c1 1889292226 QHDLHTSUQOXBNL-UHFFFAOYSA-N 445.516 2.786 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 3486273 WFPYBOAPTDLYQC-UHFFFAOYSA-N 430.404 2.751 0 40 IFAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2c(C)n[nH]c2C)cc1 3566376 POZZPGYNWWGMAZ-UHFFFAOYSA-N 428.514 2.808 0 40 IFAB O=C(CNC(=O)c1ccccc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 8451480 BVJQZAIIDRADCO-DEOSSOPVSA-N 430.460 2.700 0 40 IFAB COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 8834616 IGWQJQHKWBYSFN-UHFFFAOYSA-N 428.422 2.769 0 40 IFAB O=C(NC[C@H]1C[C@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 8857037 RSPLRIXLWYQLRT-MJGOQNOKSA-N 427.936 2.766 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2nccs2)C(C)C)c1 8878809 NVCJVEWKSWBJJO-MRXNPFEDSA-N 438.575 2.567 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)c1ccc2c(c1)CCCC2 9001500 IZQFFDHGSVQEBR-UHFFFAOYSA-N 426.476 2.763 0 40 IFAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCc2ccccc2)cc1 9126743 ASOUERCIDXNQLY-UHFFFAOYSA-N 443.507 2.995 0 40 IFAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)cc1OC 9262277 JAKQDUVMHAJTGF-RTBURBONSA-N 425.441 2.783 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)cc3)C2)c1 9380986 IZNYVMOETMQFSR-GOSISDBHSA-N 425.507 2.698 0 40 IFAB CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 9670001 RDXADCOMLIOFHK-LLVKDONJSA-N 435.527 2.818 0 40 IFAB O=C(NCCc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9867648 YRMBVOOEHDVCLC-UHFFFAOYSA-N 425.913 2.738 0 40 IFAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1nonc1NC(C)=O 9877549 RDPKJIYGMJJMNI-UHFFFAOYSA-N 435.897 2.999 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)o2)cc1 10187048 YQTPEXYCICMRLU-AWEZNQCLSA-N 434.499 2.599 0 40 IFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cc5ccccc5oc4=O)cnc32)cc1C 10252171 DLFKEMKAFDIVES-UHFFFAOYSA-N 427.420 2.689 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCN1CCCCC1 10279740 PNENMTFOAGSBBL-UHFFFAOYSA-N 437.606 2.722 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1n1c(-c3c(F)cccc3Cl)nnc1n2Cc1ccccc1F 10965730 FMMCMSVLWJUTGK-UHFFFAOYSA-N 442.813 2.718 0 40 IFAB CCOc1ccc(-c2nnc3n(Cc4cc(C)ccc4C)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970018 QWYJZQNAAJCZPB-UHFFFAOYSA-N 444.495 2.802 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cccs4)nn23)cc1OC 11693940 CHFMNXXWSXRLEW-UHFFFAOYSA-N 425.470 2.679 0 40 IFAB O=C(OCCN1CCN(S(=O)(=O)c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 12564487 WPTYUMZMPDMKDI-UHFFFAOYSA-N 438.615 2.814 0 40 IFAB Nc1nc(COC(=O)c2ccc(CN3CCCC3=O)cc2)nc(Nc2ccc(F)cc2)n1 12810357 OAMDMMJLNYSOLD-UHFFFAOYSA-N 436.447 2.816 0 40 IFAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(CCNC(=O)c5ccco5)CC4)c23)C1 12813718 OAJGKTJOQPJLBL-OAHLLOKOSA-N 425.558 2.961 0 40 IFAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCN(CC(=O)N2CCCCCC2)CC1 12992003 ISKNHKBWCROJCK-AATRIKPKSA-N 447.963 2.671 0 40 IFAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(CCOC)C(=O)Cn1nnc2ccccc21 13024814 ZUCZTXMIQLFWLK-JOCHJYFZSA-N 437.544 2.952 0 40 IFAB CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(F)cc3)CC2)s1 13776562 LAQBYFZSEQIHBA-UHFFFAOYSA-N 433.553 2.939 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)c1 14360722 PZRRWOQJVINFOD-UHFFFAOYSA-N 439.921 2.748 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 16550969 JMYVBCOLIHMMMK-GDBMZVCRSA-N 448.416 2.995 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1C 16795098 ZGADJZVMLRKTHB-ZDUSSCGKSA-N 427.457 2.727 0 40 IFAB O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343672 JXQVRBVMMRDDRI-RTBURBONSA-N 428.558 2.622 0 40 IFAB CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C3CCC(C)CC3)[nH]c(=O)c2C1 19524161 MNLNFBHUHGIYTK-UHYCVJNDSA-N 438.576 2.900 0 40 IFAB Cc1cc(NC(=O)Cn2cccc(C(=O)Nc3cc(F)ccc3N3CCCC3)c2=O)no1 19750108 RSHYKIQPPBLHFS-UHFFFAOYSA-N 439.447 2.775 0 40 IFAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)c3cnccn3)CC2)cc1 19757065 MYDGCGCSYPCVCQ-UHFFFAOYSA-N 446.511 2.931 0 40 IFAB Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@@H]2CCCCN2CC(=O)N2CCC2)n1 19767057 NGMNEPLGMXWKSA-FQEVSTJZSA-N 425.508 2.613 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccc(F)cc1 20244391 IMAYXVWJIFDGAX-UHFFFAOYSA-N 427.929 2.841 0 40 IFAB CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 20566589 ZTJBMVGUEXXISD-RLWLMLJZSA-N 446.551 2.797 0 40 IFAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 22372850 CSJRNDCUEKQJAO-FQEVSTJZSA-N 448.516 2.530 0 40 IFAB O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 28050437 WGCKKEQCKHZNQL-UHFFFAOYSA-N 435.468 2.934 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)C[C@@H]3c3ccccc3)C2)s1 30030737 XDVVXMGOSHQEGQ-WOJBJXKFSA-N 447.626 2.973 0 40 IFAB Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2c(C)nn(Cc3ccccc3)c2n1 36616675 LSLPZDCCTOVKHV-UHFFFAOYSA-N 435.509 2.996 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44851502 CSPWPKLUZGHZOD-OAQYLSRUSA-N 432.542 2.670 0 40 IFAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 48278489 FBXCHCJUIWKNNF-XLIONFOSSA-N 443.548 2.853 0 40 IFAB O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccc2ccccc2n1 49406019 AYYVZQHPDMUREA-UHFFFAOYSA-N 444.470 2.989 0 40 IFAB CCN(CC)C(=O)c1nnc2sc(-c3cccc(I)c3)nn12 57354697 IFZQLKYYLAMFNR-UHFFFAOYSA-N 427.271 2.939 0 40 IFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 61601361 QQFKUUWOHRISFQ-KURKYZTESA-N 427.636 2.633 0 40 IFAB Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)CC2)c1 62022702 BDZRZRNBHCXVTI-UHFFFAOYSA-N 445.571 2.844 0 40 IFAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220627090 FPPNATXJYHUOSX-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653362 PFCGJQGZGNNHKX-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222458579 OCZBBAVZBWPIEU-LJQANCHMSA-N 445.585 2.541 0 40 IFAB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224796627 OXWMYEGYDJNYPQ-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)N(C)C)cc3)c2)n1 226051059 XLAWDJPLJJJKDP-UHFFFAOYSA-N 440.525 2.567 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)C=C2 226848579 GYWFWDFMPOBWPH-UHFFFAOYSA-N 430.888 2.908 0 40 IFAB O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@@H]13)O2 253406226 UJDGLBWYACOZLE-ONTIZHBOSA-N 441.572 2.592 0 40 IFAB Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)cc(=O)n(C)c1=O 257262161 LKJMFMHKYVZGJC-QGZVFWFLSA-N 442.903 2.684 0 40 IFAB O=C(CCc1cccnc1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257289620 PZLIQEYFQZPKAC-KYPHJKQUSA-N 437.584 2.704 0 40 IFAB CCn1cc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCOCC5)cccc4n3)C2)cn1 306145150 ZZPBTSQOVUAMNI-HSZRJFAPSA-N 449.603 2.656 0 40 IFAB CCn1ccnc1[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)C1CCOCC1 506559240 BFSGMBMWGMZTAB-FQEVSTJZSA-N 425.533 2.538 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)CC[C@@H]1Oc1ccc(F)cc1 585269116 JCFMLFFMFPNPAU-UGSOOPFHSA-N 426.897 2.813 0 40 IFAB O=C1CNC(=O)C2(CC=CC[C@H]3COCC[C@H]3N1)CCN(C(=O)CCC1CCCC1)CC2 1615526188 PPFKCYXTHQUCGP-LEWJYISDSA-N 445.604 2.553 0 40 IFAB COc1cccc(CCN2C[C@H]3CCN(C(=O)c4ccc(C)nc4)CC[C@H]3S2(=O)=O)c1 2055794377 RQTSVGBNFZUYSQ-IFMALSPDSA-N 443.569 2.508 0 40 IFAB COc1ccc(C(=O)NCC(C)(C)CNC(=O)c2ccc(OC)c(OC)c2)cc1OC 2086320 XKNSUTRZBXBAHL-UHFFFAOYSA-N 430.501 2.907 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)c1C 2651340 ZQSVRNNUVSMBSU-UHFFFAOYSA-N 429.502 2.764 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 2658797 WNSBQUZJEKRGKI-FQEVSTJZSA-N 446.459 2.938 0 40 IFAB C[C@@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1cccc(Cl)c1Cl 3299772 VPZQBOVFMRBWOM-SNVBAGLBSA-N 436.251 2.979 0 40 IFAB COc1ccccc1-n1cnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 3372883 AOHJHKFWAMDOHD-UHFFFAOYSA-N 429.527 2.656 0 40 IFAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c23)C1 3416939 KOBDYNZIRHPFFW-VXGBXAGGSA-N 425.601 2.554 0 40 IFAB CCCCn1c(=O)n(CC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2c1ncn2CCC(C)C 7212883 OIBCSXZHPQHEKO-ROUUACIJSA-N 431.581 2.901 0 40 IFAB Cc1c(C(=O)OCCc2ccccc2)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 8717839 OPKONFOQTXZPGN-UHFFFAOYSA-N 425.510 2.788 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc(OC)c(OC)c2)C(=O)[C@]31C 8917948 YAQHLYJGYCKSMK-VWLOTQADSA-N 449.507 2.836 0 40 IFAB biogenic CCc1cccc(CC)c1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 9001278 FCBNXPLISYHWQS-UHFFFAOYSA-N 443.507 2.765 0 40 IFAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ccn3n2)cc1OC 9327527 WBVYMKUIAZBHAM-UHFFFAOYSA-N 448.435 2.548 0 40 IFAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 9507532 KKWWNTPUSVFLMT-HNNXBMFYSA-N 439.449 2.596 0 40 IFAB CC[C@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 9509303 PWCWIKUGXATWTE-HNNXBMFYSA-N 430.954 2.531 0 40 IFAB CCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2cc(S(N)(=O)=O)ccc21 9640343 LRQUVCOKEMELBL-UHFFFAOYSA-N 435.527 2.696 0 40 IFAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cs1 9714348 ORZNKGXDAZHEHE-CMDGGOBGSA-N 434.525 2.980 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnnn2C2CC2)c1 9740103 SZJFZOBDYJPDDJ-UHFFFAOYSA-N 444.542 2.564 0 40 IFAB COc1cccc(-c2nnc(SCC(=O)NC[C@@H]3CCCO3)n2Cc2ccco2)c1 9953299 UMMWDTBKLBWEBD-KRWDZBQOSA-N 428.514 2.982 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(Cl)cc1 10414586 PRCUDWQDICYBFM-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c(OC)c1 11584445 UOHRCYGMQDQYEQ-QGZVFWFLSA-N 444.484 2.562 0 40 IFAB O=C(Nc1nc(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)c1cccs1 11834938 NDOJHAREVOONPP-UHFFFAOYSA-N 444.538 2.967 0 40 IFAB O=C(CSc1nc2c(=O)[nH]cnc2n1C[C@@H]1CCCO1)Nc1ccc(F)c(Cl)c1 12428535 CYZUSOLNOSZMLD-NSHDSACASA-N 437.884 2.822 0 40 IFAB biogenic,in-vitro NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 12551585 WKIMEFRBTOFRRT-UHFFFAOYSA-N 443.554 2.582 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 12551757 UQTIOYVHKAPHSY-OAHLLOKOSA-N 431.514 2.508 0 40 IFAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1OC 12746383 FJIUZUZHFXRAHH-UHFFFAOYSA-N 444.553 2.729 0 40 IFAB COc1ccc(-c2cc3ccc(OCC(=O)N4CCC[C@H]4CO)cc3oc2=O)cc1OC 12902599 HJVOWWZVOPWWDB-KRWDZBQOSA-N 439.464 2.839 0 40 IFAB biogenic CCC(=O)N(c1nnc(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)s1)C1CC1 12915661 AALCBTLCVUMFLB-UHFFFAOYSA-N 448.570 2.965 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCN1C(=O)COc2ccccc21 12997677 DCZUPAVFAHWGBA-UHFFFAOYSA-N 446.301 2.628 0 40 IFAB CC(C)Nc1nn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=S)s1 13073611 BVJRFASOMRRKQV-UHFFFAOYSA-N 431.584 2.597 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccc(C)cc1)S(C)(=O)=O 13686191 FCFUNZQJBSGXGU-HXUWFJFHSA-N 447.557 2.555 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1 13847251 LDKAQMBBWPDIMT-VMPITWQZSA-N 449.523 2.588 0 40 IFAB O=C(CCc1ccccc1O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 14230951 QSXPHKWRPIZYSR-UHFFFAOYSA-N 442.459 2.877 0 40 IFAB COc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1Br 14245309 QJAXZCMSLYBXSK-UHFFFAOYSA-N 448.365 2.734 0 40 IFAB Cc1nnc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1Cc1ccccc1 14639884 OUJQCBOCAPCPIG-UHFFFAOYSA-N 443.617 2.878 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 15894235 GLTDUOHUWOPDNP-QTZVNIFKSA-N 443.503 2.822 0 40 IFAB biogenic CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1 16753854 YHJBVXBBXHSRBH-UHFFFAOYSA-N 443.934 2.903 0 40 IFAB Cc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c(C)c1 19132597 GYZACNVWJMXEOD-XMMPIXPASA-N 443.613 2.871 0 40 IFAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19499113 KCFVOMXHPUBFSK-IBGZPJMESA-N 426.492 2.500 0 40 IFAB Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692683 CHIUGEXDGBNLFX-OAQYLSRUSA-N 448.527 2.677 0 40 IFAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)n1 19693895 BRQPEJGINVUMLP-SFHVURJKSA-N 441.551 2.777 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2ncccc2C(=O)NCc2ccccc2)c1 19699011 KXZKLCGEAJSRQL-IBGZPJMESA-N 439.541 2.661 0 40 IFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)on3)nc(N(C)C)c2C1 19710406 DTHAFODDXBTFOG-LJQANCHMSA-N 438.532 2.680 0 40 IFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 19756494 RUIWILZSMXFIGT-HXUWFJFHSA-N 442.535 2.839 0 40 IFAB Nc1c(Cl)cc(Cl)cc1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 21712700 MDXOYLYPBPXVSA-UHFFFAOYSA-N 445.324 2.954 0 40 IFAB NC(=O)CSc1nnc(SCc2cc3c(cc2Br)OCCO3)s1 22091396 BIOJJDVVUXUGOR-UHFFFAOYSA-N 434.362 2.942 0 40 IFAB COC(=O)C[C@H](NC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F)c1ccccc1 24775359 RFLOISWPHBSFBC-AWEZNQCLSA-N 449.389 2.724 0 40 IFAB COc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccc(-n4cnnn4)cc3)cc2)cc1 24978779 DHCWZJMDZCJQJU-UHFFFAOYSA-N 443.467 2.974 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)c2c(c1)OCCO2 25010371 BZVSAXCNMSZBOX-UHFFFAOYSA-N 446.872 2.954 0 40 IFAB O=C(COc1ccccc1Cl)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28558758 WTLYSESTNMUHEZ-UHFFFAOYSA-N 440.887 2.782 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32091791 SMRHVOJDGWYODY-UHFFFAOYSA-N 439.537 2.994 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 32123923 VADTYELJKXAGLQ-RBBKRZOGSA-N 434.496 2.860 0 40 IFAB biogenic COc1cc(NC(=O)[C@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC 32891660 OCQQFPDLCXUBSB-CRAIPNDOSA-N 434.489 2.633 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)cc1 36385520 POEIMCLDEIOCDM-IBGZPJMESA-N 429.586 2.997 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c1 37218961 FZZDSMAQRASNAD-QFIPXVFZSA-N 427.570 2.630 0 40 IFAB COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)cc5)c(=O)n4ccn3n2)cc1 38487537 AOGYHNRNPYVAPY-UHFFFAOYSA-N 428.452 2.766 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccccc1 44874239 VJUHOOXQMFFIKV-UHFFFAOYSA-N 444.601 2.602 0 40 IFAB CC1CCN(S(=O)(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 48300043 JNDOXJNFUSPGAW-UHFFFAOYSA-N 447.580 2.614 0 40 IFAB CC(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945702 VILJSFVRMXSBGZ-FQEVSTJZSA-N 430.524 2.561 0 40 IFAB COCCn1c(-c2ccncc2)nn(CN2CCN(c3ccc(O)cc3)CC2)c1=S 58163342 IONJJEVRIOQZFP-UHFFFAOYSA-N 426.546 2.608 0 40 IFAB NC(=O)c1ccccc1Oc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1 72306428 GLVRPYKPOKUPNQ-UHFFFAOYSA-N 437.481 2.745 0 40 IFAB COCCN(C)Cc1ccnc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 72314218 XTBIGLGXSUUYFU-UHFFFAOYSA-N 449.349 2.681 0 40 IFAB CCCCc1nc(CN2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)c[nH]1 72334514 WRCOREYROZDWNF-NBGIEHNGSA-N 437.588 2.824 0 40 IFAB CN(C)c1ncc(-c2cnc(N)nc2)c(C2CCN(CCOCc3ccccc3)CC2)n1 72356451 IGWPQYJNFQWRDO-UHFFFAOYSA-N 433.560 2.978 0 40 IFAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cc2)CC1 72403383 XUJYMPSQKGRQHK-INIZCTEOSA-N 430.936 2.885 0 40 IFAB CCOC(=O)c1sc(NC(=O)N2CC[S@@](=O)[C@@H](C)[C@@H]2C)c(C(=O)OCC)c1C 84795575 REUNKDMUNRGHEQ-UALNHZPVSA-N 430.548 2.783 0 40 IFAB CCOc1ccc(NC(=O)c2cccc(OCC(=O)O)c2)cc1S(=O)(=O)N1CCCC1 95389809 UAQWEEUHQHLQJN-UHFFFAOYSA-N 448.497 2.586 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1 95406577 BYKKWYGMDCSGMC-UHFFFAOYSA-N 426.535 2.998 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3(CC(=O)O)CCOCC3)c2)c1 95970214 NYLGQROLZVNPLX-UHFFFAOYSA-N 432.498 2.550 0 40 IFAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(S(=O)(=O)c4ccc(C)cc4)C3)C2)cc1 96074373 XNKCEPWYTZAODG-JOCHJYFZSA-N 443.525 2.942 0 40 IFAB COCCN(C)c1nc(C2CCN(S(=O)(=O)C3CC3)CC2)cc2c1ncn2C(C)C 96267196 YOVBKVLMGFKZGW-UHFFFAOYSA-N 435.594 2.766 0 40 IFAB CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(Br)cc1 96519943 AIDVDGOINDXJTI-BDAKNGLRSA-N 439.496 2.855 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccc(F)cc1 96521127 TWOWEPGQTYZZDT-UWVGGRQHSA-N 437.068 2.778 0 40 IFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)C[C@@]34CC[C@H](CC3=O)C4(C)C)cc21 101324408 MOOJDUQFOXECDP-ZHRRBRCNSA-N 434.558 2.749 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C(=O)OC)cc1 138980353 VRSJSILHPYASAN-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCCN(c2ccccc2F)S(C)(=O)=O)CC1 223388358 DAQMTUQAUOOAKH-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB COc1ccc(OC)c(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 223416379 DKDUURDAOMHQJX-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)ccc1F 225737203 VOOFWPFECHSJPP-LLVKDONJSA-N 434.367 2.780 0 40 IFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 247487110 AHWLSUFRFUYNMD-HIFRSBDPSA-N 441.550 2.762 0 40 IFAB CCCn1c(=O)oc2cc(NC(=O)CN3CCN(C(C)=O)[C@H](c4ccccc4)C3)ccc21 257323355 WJUOIKYPNALSKF-NRFANRHFSA-N 436.512 2.848 0 40 IFAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O 260744352 OHOGUKFHJQQZFQ-LJQANCHMSA-N 445.585 2.703 0 40 IFAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 260902822 WEUNRHKEAKQOSQ-GOSISDBHSA-N 431.558 2.933 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 408601309 FJMNPJXUVBAVKJ-UHFFFAOYSA-N 434.514 2.911 0 40 IFAB O=C1C[C@H](c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)N2NC=NC2=N1 409370501 RUZGRIVYKMRVBN-MRXNPFEDSA-N 431.374 2.899 0 40 IFAB O[C@H](CN=c1[nH]c(=NC[C@@H](O)Cc2ccccc2)c2ccccc2[nH]1)Cc1ccccc1 511459938 HACPVMVSBJPQJE-VXKWHMMOSA-N 428.536 2.505 0 40 IFAB COC(=O)c1cc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(Br)cc1F 610327134 DMQZOXMWEAEDAF-QIBSRJKCSA-N 428.258 2.506 0 40 IFAB Cc1ncnc(C(=O)NC[C@@H]2CC[C@H]3CN(C(=O)NC(C)C)c4ccccc4CN23)c1C 1565555771 HEBANERNXRKYOV-PMACEKPBSA-N 436.560 2.794 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)c2cc(C)nn23)cc1 1772596453 IOZJFYRACGBHBR-UHFFFAOYSA-N 444.557 2.527 0 40 IFAB NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Br)cc2)cc1 832639 MBNPERTUCOQMSU-XCVCLJGOSA-N 440.344 2.623 0 40 IFAB COc1ccc2cc(CN(Cc3cccnc3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 927483 ZCWSVHPQQYLEIY-UHFFFAOYSA-N 433.516 2.876 0 40 IFAB O=c1[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccccc32)c(=O)n1-c1cccc(C(F)(F)F)c1 2134928 IOMGYLGNCSOTCA-GOSISDBHSA-N 442.397 2.967 0 40 IFAB biogenic CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(C)cc2)c2ccccc21 2299896 QITGOSMFNUNSDP-SFHVURJKSA-N 427.460 2.947 0 40 IFAB Cc1nn(CCCNC(=O)c2cc3ncc(Br)cn3n2)cc1Br 2792638 QKGLCXOSQDOUJP-UHFFFAOYSA-N 442.115 2.579 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 3344127 KZRGEFGFTGDLJN-UHFFFAOYSA-N 437.452 2.504 0 40 IFAB CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(=O)NCc1ccccc1 4681926 HDUJBEGWJJLFFG-UHFFFAOYSA-N 427.570 2.703 0 40 IFAB C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791820 LSLXTBQKBXEZKX-OALUTQOASA-N 448.567 2.925 0 40 IFAB C[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)C(=O)NC1CCCC1 8720352 OMRJVGLXHFFXFW-AWEZNQCLSA-N 433.530 2.772 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2OC)cc1 8825512 YTEGVEHQHLFYLN-NTCAYCPXSA-N 446.525 2.921 0 40 IFAB COc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8915168 VYQOSPDJOVCQDX-QGZVFWFLSA-N 441.505 2.940 0 40 IFAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 8917063 OWQGUVWYYAEYSY-MGPUTAFESA-N 439.489 2.924 0 40 IFAB O=C(NN1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1=O)c1ccccc1 8927214 PPGPITSYLMKDDI-ZDUSSCGKSA-N 435.263 2.913 0 40 IFAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 9090204 LRWVHTYSXNTCON-ZQIUZPCESA-N 430.404 2.869 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)Nc1cccc(Cl)c1 9278124 CLLAUXKPAQUZAK-UHFFFAOYSA-N 429.267 2.982 0 40 IFAB CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)[C@H]1CCS(=O)(=O)C1 12633929 YCYNWJPFANYRIM-MAUKXSAKSA-N 434.587 2.825 0 40 IFAB COc1ccc(CCNC(=O)CSc2ccccc2C(=O)N2CCOCC2)cc1OC 12685085 BOCCHZOOOIFOOK-UHFFFAOYSA-N 444.553 2.627 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@H](C)Oc2ccccc2)NC(=O)N[C@H]1c1cccs1 12804791 URJAHKXTDAFIAK-UGSOOPFHSA-N 430.482 2.930 0 40 IFAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 12818797 BOKIXSYKIGDNIF-GFCCVEGCSA-N 442.925 2.552 0 40 IFAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)N1CCCCCC1 12911501 UEGMVYDDZAQTQY-MRXNPFEDSA-N 440.537 2.561 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1 13084837 DNVWXEBIYKDCMI-OAQYLSRUSA-N 444.482 2.825 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)CC1 13712463 AUWGHOAWKCNZCV-KRWDZBQOSA-N 430.954 2.686 0 40 IFAB CCc1nnc2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)nn12 13848134 JDOALVPRYAVOTB-UHFFFAOYSA-N 441.344 2.504 0 40 IFAB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(I)c1OC(C)=O 13915266 LAHLHMGQXHHRSO-WDZFZDKYSA-N 432.239 2.754 0 40 IFAB C[C@@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)NC1CCCCC1 13956433 RIIQKUMKUQTEEL-CQSZACIVSA-N 433.553 2.856 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nncn1-c1ccccc1 15187297 QQPMLIYROZDIFQ-HNNXBMFYSA-N 445.570 2.945 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2nc(C)nc2C)C1 19285703 QPMFAYWSRQFMKS-HSZRJFAPSA-N 437.569 2.831 0 40 IFAB COc1ccc2c(c1)C1=C([C@H](c3cn(C)nc3C)O2)[C@@H](c2cn(C)nc2C)n2ncnc2N1 19640705 ZOIDONDNZFLRHI-YADHBBJMSA-N 444.499 2.930 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C(=O)c3cnn(C)c3)nc2C)c1 19764366 HCMTZFLJKHFJKW-OAQYLSRUSA-N 448.527 2.825 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 20801354 JGQSGLPHHUCJOI-FGZHOGPDSA-N 434.540 2.519 0 40 IFAB CC[S@](=O)c1ccccc1C(=O)OCc1nc(N)nc(Nc2ccccc2OC)n1 21740680 VLKOAKPASNUWON-SSEXGKCCSA-N 427.486 2.691 0 40 IFAB COc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 22226924 NPEJDVWXPFHJOE-UHFFFAOYSA-N 446.569 2.780 0 40 IFAB COc1ccc(C)cc1CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 22790315 MZQGDUOQDYHGDH-IBGZPJMESA-N 436.556 2.885 0 40 IFAB O=C([C@H]1CCCO1)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1 23865889 LYBHSLCSMQVMFQ-CQSZACIVSA-N 430.555 2.536 0 40 IFAB Cc1ccc(CN2C[C@@H](C(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)CC2=O)cc1 33135400 QIUQNOZTESHRCK-LOSJGSFVSA-N 448.611 2.839 0 40 IFAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(I)cc1 34920832 PGZRDRPCJPWJLB-UHFFFAOYSA-N 425.251 2.517 0 40 IFAB Cc1nc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)cc(-n2ccnc2C)n1 35598095 LQGCNVGOCVSCPF-UHFFFAOYSA-N 448.552 2.921 0 40 IFAB O=C(NC[C@H](c1ccccc1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 36358442 AMHDWJMJAROPGY-HXUWFJFHSA-N 426.538 2.754 0 40 IFAB COc1ccc(N(CCC(N)=O)C(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 40012655 YPPGTTDZRJROSS-UHFFFAOYSA-N 429.477 2.620 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)CC3(Cn4cnnn4)CCCCC3)sc2c1 44904013 IVJZCPOEERQSST-UHFFFAOYSA-N 434.547 2.666 0 40 IFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 48235180 SEKBMIBQVGZONJ-HDICACEKSA-N 433.574 2.856 0 40 IFAB CCOC(=O)Nc1ccc2c(COC(=O)[C@@H](C)NC(=O)c3ccco3)cc(=O)oc2c1 49573953 OGHSIDDBOOZGCC-GFCCVEGCSA-N 428.397 2.816 0 40 IFAB CCOc1ccc(OCCNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 57270817 IVMBRVJTOMHBEJ-UHFFFAOYSA-N 444.507 2.569 0 40 IFAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C(=O)OC)c1=O 57525767 MXIAENJFIZVROD-UHFFFAOYSA-N 429.860 2.652 0 40 IFAB Cc1cc(C(=O)N2CCN(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c(C)o1 58011445 DKTBEWQZXQPTAR-UHFFFAOYSA-N 437.500 2.684 0 40 IFAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NCc1ccc(Cl)cc1 58136978 OCMLQVWLYKVGAL-XNTDXEJSSA-N 433.961 2.575 0 40 IFAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC1)NC2=O 72327491 CPDBVUYVTNBKOB-QHQBPXOVSA-N 443.544 2.610 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCCC[C@@H]3C)CC1)O2 72328004 SKIPPXCMXRCLKX-HOOSLVGPSA-N 427.545 2.658 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cnc(N)nc2C)C1 72352466 AHZYDIPNOGREMU-AWEZNQCLSA-N 439.541 2.588 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CCn1cnnn1 72370569 BRQCNSGLTJRROP-HNNXBMFYSA-N 426.546 2.604 0 40 IFAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)c2ccccn2)n1 72391859 CLUBXNCLMMVLNF-SFHVURJKSA-N 430.512 2.702 0 40 IFAB Cc1ccc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3O[C@@]3(CCCN(C)CC3)C2)cn1 72394788 SWXCEFJVZRPIQG-KBMIEXCESA-N 436.556 2.784 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@H]4C2=O)no1 85420745 DIWBIBLNZXIFIW-FORWCCJISA-N 434.279 2.893 0 40 IFAB COC(=O)C[C@@H](c1coc2ccc(Cl)cc2c1=O)c1c(O)nc2ccccn2c1=O 96117515 ZJZSWVKNCJMZPM-LBPRGKRZSA-N 426.812 2.855 0 40 IFAB O=C(NCCc1ccccn1)[C@@H]1C[C@]2(CO1)CN(C(=O)c1cccnc1)c1ccccc12 96262947 ZYUZCFGQFASXBP-WIOPSUGQSA-N 428.492 2.523 0 40 IFAB Cc1ccc2nc3c(cc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)n3C)c(=O)n2c1 96347393 IQYUNSVCVPXRSW-UHFFFAOYSA-N 442.479 2.545 0 40 IFAB COCC(=O)N1CCc2nc3cc(C4CCN(C[C@@H]5CC=CCC5)CC4)nn3c(O)c2C1 100232675 PLGGCBJURDIRMG-QGZVFWFLSA-N 439.560 2.502 0 40 IFAB CSCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101416829 VATMIQDCCLIWDR-GBESFXJTSA-N 443.569 2.814 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224170782 BPBQTPLYILITIG-QHAWAJNXSA-N 439.556 2.580 0 40 IFAB Cc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc(C)c1Cl 224234603 TVXVIYXXQLEGRV-UHFFFAOYSA-N 440.949 2.781 0 40 IFAB COc1ccc(C)cc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 224985382 SNRCYSBPUKRFIV-UHFFFAOYSA-N 430.577 2.760 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 225665805 KAQHXAJWTITZQE-UHFFFAOYSA-N 431.558 2.925 0 40 IFAB CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)CN3CCCC3=O)CC2)nc2ccccc12 257215301 CPNDMVNNCKEZCN-IYARVYRRSA-N 436.556 2.949 0 40 IFAB Cc1cc(C(=O)N2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)no1 306130648 JMEMYDLXNVQWOS-YADARESESA-N 448.527 2.814 0 40 IFAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408598412 ZXHHGSPHYLWDNL-RTBURBONSA-N 446.569 2.612 0 40 IFAB CCc1ccccc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccccc1 408615201 NHCIQUSRHRMYHP-UHFFFAOYSA-N 426.542 2.847 0 40 IFAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710131 PSXWEXNWXXQIIW-UHFFFAOYSA-N 425.485 2.980 0 40 IFAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060819 YHPLATNDTXUUSM-MYPDDRRYSA-O 436.438 2.990 0 40 IFAB CCCNC(=O)CN1CCC(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 589903122 ZGUMUUVWEMWHKS-UHFFFAOYSA-N 427.549 2.755 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4ccccc4C)C[C@H]23)n1 1549162075 NDAJJEKAUZFXND-IBGZPJMESA-N 436.516 2.801 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775970020 XPPHTWZTAZVMIN-ZDUSSCGKSA-N 442.335 2.727 0 40 IFAB CC(C)(C)c1cn2nc(C(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)ccc2n1 1889031981 INAXNPZVQPZKKQ-UHFFFAOYSA-N 434.475 2.820 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1F 1347153 MMHCOQPXRSNUFK-OAHLLOKOSA-N 434.489 2.945 0 40 IFAB COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C3CCC3)s2)CC1 1381621 YSSLQQSDLXZFEZ-UHFFFAOYSA-N 447.586 2.726 0 40 IFAB NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)ccc1Cl 2652894 WXXFOVUULBTUFD-UHFFFAOYSA-N 436.795 2.802 0 40 IFAB CN(C)c1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)c1 2694914 YLVYLLJNGNCUFR-UHFFFAOYSA-N 446.554 2.636 0 40 IFAB COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12 3191091 FZNKDVDFHGPRQZ-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)sc2c1CCC2 9129161 PEPTZDGTUVWRKF-FNORWQNLSA-N 439.287 2.886 0 40 IFAB Cc1nc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)sc1C 9302413 NAPRHWPIFIDAEX-UHFFFAOYSA-N 434.522 2.940 0 40 IFAB CCCCCN(C(=O)COC(=O)c1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 9663350 JMUMTIQFZQCELG-UHFFFAOYSA-N 444.532 2.608 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(OC)cc2OC)C1=O 9882712 LRBGPOJYSCKGAM-QHCPKHFHSA-N 425.485 2.520 0 40 IFAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 11634826 CUKMLFHGGHOARW-OAHLLOKOSA-N 448.501 2.620 0 40 IFAB CC(C)C[C@H](C(=O)O[C@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 11678002 JKDGEPBEDYKLLP-RSPOEFSDSA-N 426.513 2.600 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 11858317 CLEMFYZXSFCTMS-UHFFFAOYSA-N 434.417 2.573 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccccc3C)CC1)NC2=O 12086527 HLNLPRXJHJYWBX-IQGLISFBSA-N 434.540 2.872 0 40 IFAB Cc1cc2c(s1)c1cnn(CC(=O)N3CCOCC3)c(=O)c1n2Cc1ccc(F)cc1 12113487 GKZOAYHHKHZHAY-UHFFFAOYSA-N 440.500 2.767 0 40 IFAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl 12861026 JWBKJFVKEKZHIO-UHFFFAOYSA-N 437.949 2.748 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 12904593 QUXMJFRNFZLXKS-UHFFFAOYSA-N 440.887 2.914 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)c(Br)c1 12998004 FTYNZUAQXBOQBE-UHFFFAOYSA-N 438.351 2.833 0 40 IFAB CCn1c(CCC(=O)NCc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 13041119 UIBRJECYXXKCIU-UHFFFAOYSA-N 432.521 2.695 0 40 IFAB CN(CC(=O)OCc1nc2ccccc2n1C(F)F)S(=O)(=O)c1ccc(F)cc1 14121349 PZFKYWCKEKCHNW-UHFFFAOYSA-N 427.404 2.934 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 15390802 IPYDLCZMWBJUOX-SFHVURJKSA-N 430.526 2.973 0 40 IFAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 15958652 NIYSKYYDTNLVOT-DDOIHHOZSA-N 427.570 2.665 0 40 IFAB biogenic Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC1CCN(C(C)C)CC1)CC1(CCOCC1)O2 19218650 ZJNOPSMBZZYAGL-LJQANCHMSA-N 443.588 2.756 0 40 IFAB O=C(c1ccco1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 19349752 HJBNHKCEDJTHOG-AWEZNQCLSA-N 438.875 2.829 0 40 IFAB CCCN1CCN(C(=O)CCn2cnnn2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502977 VEMXRZDVKBUQHD-QHCPKHFHSA-N 446.555 2.670 0 40 IFAB CCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)cc1 20486243 XMJXVJVEWQYGFW-UHFFFAOYSA-N 430.511 2.941 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)CC1 20567994 RSCMQXHRHMCPOL-UHFFFAOYSA-N 445.585 2.899 0 40 IFAB O=C(OCc1ccccc1Br)c1ccc(S(=O)(=O)N2CCOCC2)cc1 22820961 TZDAXXBEHCVSDQ-UHFFFAOYSA-N 440.315 2.827 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 36452020 OASAQHDLNKFWOJ-JOCHJYFZSA-N 427.570 2.630 0 40 IFAB C[C@H]1CN(C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@@H](C)O1 40135639 WHQIQMJLRWKJNF-ZAKOGJKOSA-N 431.621 2.809 0 40 IFAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 40390703 NWPWFTCROJBMGK-GOSISDBHSA-N 443.507 2.960 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCc3[nH]c4c(F)ccc(F)c4c(=O)c3C2)cc1 49003248 JIGSKPFSBATSOY-UHFFFAOYSA-N 427.407 2.590 0 40 IFAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945120 VTJOMLMEAWXUKA-JOCHJYFZSA-N 432.524 2.576 0 40 IFAB COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 56998163 ZGNYLZDVHVDOIU-WOJBJXKFSA-N 448.972 2.796 0 40 IFAB CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 57738392 PLYIDAGUNBEPRI-VQTJNVASSA-N 434.945 2.753 0 40 IFAB O=S(=O)(c1ccc(SCc2ccn(-c3cccc(F)c3)n2)nc1)N1CCOCC1 58157350 LMWDCRFEQNENBD-UHFFFAOYSA-N 434.518 2.720 0 40 IFAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 58166754 ULKSDRODGYXFLV-CQSZACIVSA-N 429.908 2.797 0 40 IFAB c1ccc(N2CCN(Cc3nnc4sc(Cc5ccc6c(c5)OCCO6)nn34)CC2)cc1 66088309 MIWXRVYABKNWQB-UHFFFAOYSA-N 448.552 2.870 0 40 IFAB COc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1 67301694 VHMYRLCPOFCBDR-UHFFFAOYSA-N 441.915 2.732 0 40 IFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395662 PVNYURZBKUKRSI-VBNZEHGJSA-N 449.458 2.703 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2)[C@@H]1CCCO1 77192073 UWQPYTJUCIEVSJ-AWEZNQCLSA-N 445.925 2.800 0 40 IFAB c1ccc(CN2CCN(CC3(CN4CCN(Cc5ccccc5)CC4)COC3)CC2)cc1 95401395 IYUPEFLHOIXPBX-UHFFFAOYSA-N 434.628 2.639 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)sc1C(C)C 95477760 UFIFZTRFSFQKBK-NSHDSACASA-N 427.486 2.921 0 40 IFAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCOCC1)c1ccccc12 96242209 COQWJAYSNONWCX-IBGZPJMESA-N 434.602 2.742 0 40 IFAB Cc1ccccc1OCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224352035 IQHUVOOCYCVYNN-UHFFFAOYSA-N 432.542 2.744 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225507881 GSBZEAIKPVWYHT-HXUWFJFHSA-N 438.553 2.898 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1OC 225742979 DKFAKJLSXVKIAY-CSKARUKUSA-N 447.539 2.987 0 40 IFAB COc1ccccc1[C@H]1CN(C(=O)c2cccc(OCCN3CCOCC3)c2)CCN1C 257303347 SGVJQDAYYQFOGD-HSZRJFAPSA-N 439.556 2.535 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 257338520 YXUMHHBGEGRLHC-QGZVFWFLSA-N 444.536 2.819 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(Cl)c(C(F)(F)F)c1 409026279 KVKJUJNCMNJAJE-UHFFFAOYSA-N 449.838 2.862 0 40 IFAB O=C(NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)NC[C@@H]1CCS(=O)(=O)C1 508194997 MVMLNQJLVRPFQD-IBGZPJMESA-N 438.553 2.832 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 524734110 XOZYRKNRVQLIGM-SFHVURJKSA-N 428.876 2.974 0 40 IFAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3nsc(Cl)c3Cl)cc2NC1=O 585281634 NPHJMZIAEUPBMB-QMMMGPOBSA-N 436.298 2.678 0 40 IFAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)COCC(=O)O)Cc3ccccc31)N2CC 643578217 RGUNKLPJPGHOAB-UXHICEINSA-N 445.560 2.506 0 40 IFAB CC[C@H](NC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccccc1OCC(=O)N(C)C 1223877545 KCTNJTNDQMDGQT-CZTZKLFOSA-N 447.576 2.614 0 40 IFAB COc1ccc(CN2CC[C@H]3[C@H](CC(=O)N4CCC5(CCOC5)CC4)OC[C@H]3C2)cc1 1565553362 VODPNKMOAJCLOS-MZYLBHOOSA-N 428.573 2.951 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)cc1OC 1888928995 OTPORDIMMULGRB-UHFFFAOYSA-N 443.529 2.587 0 40 IFAB Cn1c(CCC(=O)NC[C@@]2(O)CCCN(c3ccccn3)C2)nc2cc(Cl)ccc21 2037880045 QDYSNRGKALHWDC-QFIPXVFZSA-N 427.936 2.702 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 3334281 RPANQRHPEOXVMS-UHFFFAOYSA-N 447.532 2.702 0 40 IFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@H]1CN(Cc2ccccc2)CCO1 3396079 NPDIDNVVSOJPAV-INIZCTEOSA-N 431.949 2.721 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O)Nc1ccc(F)cc1 8663635 MQXJLWKUCSPXST-WJDWOHSUSA-N 431.445 2.930 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 8765239 QPKKJWZTHUUSIB-UHFFFAOYSA-N 441.491 2.790 0 40 IFAB biogenic O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8882866 ZJACGBMMGVKYGS-JOCHJYFZSA-N 444.553 2.532 0 40 IFAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCC(Cc2ccccc2)CC1 8990320 RHULORXCTPLGBP-UHFFFAOYSA-N 448.571 2.638 0 40 IFAB COc1ccc(OC)c([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)c1 9409661 NLBUSGYDKDNNBP-FCEWJHQRSA-N 442.365 2.947 0 40 IFAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1 9508904 KMYMCLZUVQVIAN-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 9510150 JWQUMIJRTKESOW-UHFFFAOYSA-N 434.514 2.911 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)NC[C@@H]2CCCO2)c1 9630969 QMMBRJHZXQLGQC-KRWDZBQOSA-N 447.509 2.523 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1S(=O)(=O)N1CCCCC1 9666411 NKEDJQJCFQDLFY-UHFFFAOYSA-N 446.525 2.979 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2)c(C)c1 9806411 ALLYPMBJJNHNSS-LJQANCHMSA-N 429.542 2.520 0 40 IFAB COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 9829377 XHEBRIQZECCNGA-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4cccc5cccc3c45)CC2)cc1 10288182 FVAQSSQTPWDZHX-UHFFFAOYSA-N 449.532 2.642 0 40 IFAB CCn1c(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)nc2ccccc21 10652034 NOCVXGFGRTUWBX-HNNXBMFYSA-N 437.525 2.856 0 40 IFAB COc1cccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 12388837 CHLXXYQDTALRRI-MOPGFXCFSA-N 439.961 2.778 0 40 IFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1OC 12538541 UQAFZAQYFYJUCK-GASCZTMLSA-N 434.514 2.754 0 40 IFAB CCCn1c(=O)c2ccccc2n2c(SC[C@@H](O)COc3ccc(OC)cc3)nnc12 12558069 GEOQGDQORYJTLF-HNNXBMFYSA-N 440.525 2.995 0 40 IFAB NS(=O)(=O)c1ccc(Br)c(C(=O)NCCCn2ccc3ccccc32)c1 12608533 MZVFBNBBCFWJCV-UHFFFAOYSA-N 436.331 2.871 0 40 IFAB Cc1cc(-c2nnc(CN(C)Cc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)o2)c(C)o1 12786290 LKVJYQRNWQDEPA-INIZCTEOSA-N 433.534 2.751 0 40 IFAB COc1ccccc1C(=O)COC(=O)[C@@H](CCSC)NC(=O)COc1ccccc1 12911467 ASPHGRBXDJJSMD-GOSISDBHSA-N 431.510 2.738 0 40 IFAB CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2)cc1 12916419 BMEOQSKDFIWPHP-UHFFFAOYSA-N 446.506 2.615 0 40 IFAB Cn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)nnc1-c1cccs1 13407555 QWQZLXRMJKISLM-HNNXBMFYSA-N 441.538 2.929 0 40 IFAB COc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)NCCc1ccccc1 13581924 JRGCDOYTQGLMQA-UHFFFAOYSA-N 434.558 2.761 0 40 IFAB CN(C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13676999 PYVCLAUMJUVQPH-AWEZNQCLSA-N 436.405 2.603 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715516 GYVYVKUWMJKBAT-FQEVSTJZSA-N 437.512 2.858 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1OC)c1ccc2c(c1)OCCO2 14399954 RYPFTSVFKYQJHH-UHFFFAOYSA-N 440.905 2.915 0 40 IFAB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1nn(-c2ccccc2)nc1C 15084132 WGEJVLARIJEORY-UHFFFAOYSA-N 426.429 2.640 0 40 IFAB COc1ccc(CCNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 17154898 NAVHUQFYOXJUHR-UHFFFAOYSA-N 431.286 2.803 0 40 IFAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(=O)C2CCCC2)C3)on1 19119898 LIYVFMTVLGNVJU-SFHVURJKSA-N 439.516 2.921 0 40 IFAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NC[C@@H]2OCCc3ccccc32)cc1Cl 19214403 LDFOQFAOXWEIPP-ADXZGYQBSA-N 434.945 2.766 0 40 IFAB Cc1ccc(-c2ccccc2NC(=O)Cn2nc3n(c2=O)-c2ccccc2C2=NCCN23)o1 19216757 HMEJIMXSPUPMGD-UHFFFAOYSA-N 440.463 2.821 0 40 IFAB CN1CCN(C(=O)c2ccc([C@@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)nc2)CC1 19705925 XMLJHYPAESQIBP-OAQYLSRUSA-N 438.547 2.947 0 40 IFAB CCn1nc2c(c1C(=O)N1CC[C@](Cc3cc(C(C)C)no3)(C(=O)NC)C1)CCCC2 19739188 GEMVTENDEDCOAX-HSZRJFAPSA-N 427.549 2.714 0 40 IFAB Cn1nc2c(c1C(=O)N[C@@H]1CCc3ccc(S(=O)(=O)NC4CCCC4)cc31)CCCC2 19749503 RRCVCJAVJGJUFJ-HXUWFJFHSA-N 442.585 2.937 0 40 IFAB O=C(CCN1C(=O)CSc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20902341 YSEDFGIFQDUYLC-UHFFFAOYSA-N 439.537 2.589 0 40 IFAB CCNC(=O)COc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2OCC)C(C)C)cc1 23139073 AMDYEIDGSQMAKJ-JOCHJYFZSA-N 441.528 2.993 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)COC(=O)CCc1nc(=O)c2ccccc2n1C 23222402 NEZQFYNEDOGVPZ-UHFFFAOYSA-N 433.917 2.783 0 40 IFAB CCOc1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1OC 24068856 LKBSELBGVWLIKG-KRWDZBQOSA-N 435.546 2.539 0 40 IFAB COc1cccc(-n2cnnc2SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1 29633368 NWCDGIMDPKYSGF-UHFFFAOYSA-N 425.470 2.822 0 40 IFAB COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@H]2CS(=O)(=O)C[C@H]21 36589906 MHYFMOLJWVSSQA-YADHBBJMSA-N 442.581 2.876 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1 57429007 YTDPVZYWHZWVMO-BETUJISGSA-N 433.480 2.997 0 40 IFAB COc1ccc(Cn2nnnc2[C@H](c2ccccc2Cl)N2CCC(C(N)=O)CC2)cc1 57671111 QXYNGIZQMWQOJY-FQEVSTJZSA-N 440.935 2.670 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(NC(=O)c2ccco2)cc1 65562969 JUPDRYUIUATEIN-UHFFFAOYSA-N 433.420 2.782 0 40 IFAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)o1 69879344 AXVFYQGVKDARGV-UHFFFAOYSA-N 441.509 2.968 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(OC)cc34)n2)cc1 71288079 DJUOJXUKFFHTDB-UHFFFAOYSA-N 432.480 2.768 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CN(CC(=O)OC(C)(C)C)c2ccccc2)c1 72308532 DBFPQPPUGPWINI-UHFFFAOYSA-N 447.557 2.724 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N2[C@@H](C)CCC[C@H]2C)C(=O)N2CCN=C32)cc1 72347800 BLOYRZNVUWQQES-IYBDPMFKSA-N 436.516 2.673 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72371109 PEJUNBUSTKQBPR-SFHVURJKSA-N 426.492 2.838 0 40 IFAB Cc1cnc(C(=O)N2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cn1 72396040 GIPLNBGEQBXDPM-DEOSSOPVSA-N 433.512 2.993 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@H](C)Cc3ccc(O)cc3)CC2)c(F)c1 79099702 HTXLSOHVOMAEKB-QGZVFWFLSA-N 427.520 2.946 0 40 IFAB NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 89768280 JUYIEPNBQSSMCH-ZBFHGGJFSA-N 441.981 2.679 0 40 IFAB CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 95976773 QOMGLHGUYZOJMY-MSOLQXFVSA-N 426.560 2.533 0 40 IFAB Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)c(Cl)c1 96998481 KFQYVTBFLGFCOJ-HXUWFJFHSA-N 447.988 2.933 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccccc1F)S(C)(=O)=O 220607976 LOHUDORNOHMTOZ-ZDUSSCGKSA-N 438.506 2.798 0 40 IFAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc(OC)c1)S(C)(=O)=O 220621510 RIJNJEGYOKQEKL-LJQANCHMSA-N 434.514 2.974 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 225111305 KVSKWRUMZVLVFX-UHFFFAOYSA-N 428.869 2.666 0 40 IFAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 225757140 MAWBDERHMOIKIW-UHFFFAOYSA-N 433.508 2.691 0 40 IFAB O=C1COc2ccccc2C/C=C/C[C@@]2(CCCN(CC(=O)Nc3nccs3)C2)CN1 257280261 OKESTMAZCFIFSF-OSFWOZTASA-N 440.569 2.861 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H]3CC[C@H](Cc4cc(C)ncn4)[C@H]3C2)c1 257288988 PWNLCNXMIYMYFL-DBXWQHBBSA-N 437.544 2.891 0 40 IFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccnc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306123057 ADMQFTCXBKCIGN-SQJMNOBHSA-N 444.539 2.913 0 40 IFAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(NC(C)=O)cc1 408663342 HUHQZOXYPFXWQY-UHFFFAOYSA-N 427.457 2.944 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 409023290 WSXZGPGREIPKRK-UHFFFAOYSA-N 426.469 2.966 0 40 IFAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)cc1 585270009 AYKRXJKPMYLSNO-FQEVSTJZSA-N 428.529 2.568 0 40 IFAB Cn1nc2c(c1NC(=O)CN1C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]13)CSC2 604419804 ZKBQNKBPQBABME-NRFANRHFSA-N 445.504 2.920 0 40 IFAB O=S(=O)(N[C@@H]1CCCN(c2ncc(Br)cc2C(F)(F)F)C1)C1CC1 2086861287 BIPQQDNOLRLEKP-SNVBAGLBSA-N 428.274 2.914 0 40 IFAB Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 2693562 FTFFMWZCZKQYBN-NVXWUHKLSA-N 435.596 2.709 0 40 IFAB CCSC(SCC)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)OC(C)=O 5330017 IGZAPMUTZWRKTE-LEDZFWJESA-N 438.564 2.565 0 40 IFAB CCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 6512699 GURWHCYGHHMDPS-UHFFFAOYSA-N 442.921 2.697 0 40 IFAB Cc1ccc2nc(COC(=O)/C=C/c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3Cl)cn2c1 8778625 SHCBBXWHRNINIE-NBUZRDOWSA-N 448.932 2.917 0 40 IFAB COc1cccc([C@@H]2OCCn3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 9348253 GFKVANNGOUCSKP-QHCPKHFHSA-N 447.491 2.848 0 40 IFAB Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1C 9518798 RJGSKIJWXMYTPC-UHFFFAOYSA-N 449.580 2.872 0 40 IFAB CCc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)cc1 9677970 NYHBXWHJVZLQKQ-UHFFFAOYSA-N 428.880 2.976 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 9744717 LSRUIBHNACPOMG-FQEVSTJZSA-N 443.569 2.992 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(=O)NCc1ccccc1 9761853 MFNIBTUEBFUZJG-UHFFFAOYSA-N 441.871 2.758 0 40 IFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 10289205 UUGLFTBPUOTDSH-OAQYLSRUSA-N 432.542 2.694 0 40 IFAB O=C(CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)N1CCOCC1 11694973 DXNHRBHFBHLIBO-UHFFFAOYSA-N 443.550 2.860 0 40 IFAB C[C@@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 11726688 CTKCQBVXKMIEOW-DOMZBBRYSA-N 435.546 2.796 0 40 IFAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 12480428 PKIOFWPRBHZSJX-UHFFFAOYSA-N 436.491 2.880 0 40 IFAB Cn1c(=O)c2ccccc2n2c(CNc3ccc(I)cc3)nnc12 12562400 IBPFMYGQBSUZPO-UHFFFAOYSA-N 431.237 2.798 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccc(F)c1 13098825 WVFOERGMDDKMND-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13407974 MOJRTVSFFCKXJR-IBGZPJMESA-N 449.536 2.791 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13677228 JCMTUQMYPFHEQC-FQEVSTJZSA-N 445.541 2.724 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(CCO)cc3)cs2)cc1 13691132 IXTPFPFRMUDZGY-UHFFFAOYSA-N 431.539 2.968 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)CNC(=O)c2ccccc2Br)c(C)c1 14084121 FARKRDDGBQTTKP-UHFFFAOYSA-N 432.318 2.859 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 14399786 ZPWLLXYCZQBTOC-GOSISDBHSA-N 445.541 2.634 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 15912197 MOXWAWKOULDSGT-IYBDPMFKSA-N 427.526 2.952 0 40 IFAB COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)CC1 15924658 DBVDQRAGNGQNGH-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB COc1cccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c1F 19450081 SJQMESUINKCKIQ-OALUTQOASA-N 441.551 2.965 0 40 IFAB CCOc1ccc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 19533245 ALUFQGJXYNNFJB-IBGZPJMESA-N 436.556 2.843 0 40 IFAB CC(C)(C)NC(=O)[C@H]1[C@@H](C(=O)NCCCc2ccccn2)[C@@]1(C)C(=O)c1ccccc1N 19576070 RMVWXZKDKIRLNO-WZOHSFFVSA-N 436.556 2.763 0 40 IFAB CN1C[C@@H](C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19587213 OVOAXMCOWGIYDN-SBUREZEXSA-N 425.554 2.530 0 40 IFAB CCCCN1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20756815 WNYSZEZUHUALTK-FYBXHKAZSA-N 442.519 2.931 0 40 IFAB CC(C)C(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 21682663 IQEJLBONGMEZIQ-UHFFFAOYSA-N 441.912 2.782 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 23134963 OEJQVFSXSMAAPB-UHFFFAOYSA-N 444.898 2.812 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c3c(c2)OCCO3)C1=O 23947835 RSUJKDNQHHZXIZ-NRFANRHFSA-N 429.860 2.699 0 40 IFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)NC12CC3CC(CC(C3)C1)C2 24866726 FWHZPXMEIATTRV-JZBBYPHDSA-N 435.524 2.973 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CN1C(=O)CCOc2ccccc21)CC3 25453583 NGBGKAUDKPQQQK-UHFFFAOYSA-N 433.464 2.655 0 40 IFAB COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(c2cnccn2)CC1 25833013 PIRQDHKWCZFPKO-UHFFFAOYSA-N 433.306 2.559 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)C1 29081359 BSIBRXNYCNCTLG-GOSISDBHSA-N 444.576 2.853 0 40 IFAB COc1cc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl 30942792 COUYHPRFJOYVEG-INIZCTEOSA-N 440.905 2.913 0 40 IFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 31025478 OHBIEAIMXNJMBI-UHFFFAOYSA-N 445.466 2.831 0 40 IFAB CC(=O)N[C@H]1[C@@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 35271158 FKJUUKVGJGPQSF-UQOPEDAQSA-N 431.485 2.661 0 40 IFAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)COc3ccccc3)ccc2n1C 36369958 JRHMTIKFROLQAP-UHFFFAOYSA-N 433.468 2.704 0 40 IFAB biogenic O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120925 STXCSWRHQGUUDV-QGZVFWFLSA-N 443.429 2.951 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(Cl)s2)CC1 56908005 IQONDNLEQCPISU-AWEZNQCLSA-N 442.994 2.537 0 40 IFAB CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2cc(C)[nH]c2c1=O 57521724 ZNTCXISMTYRCTK-UHFFFAOYSA-N 430.530 2.521 0 40 IFAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC(C)C)[C@@H]3CO)cc2)cc1OC 72321133 BVOQDBPKBOULFC-AUSIDOKSSA-N 442.512 2.873 0 40 IFAB biogenic,in-vitro CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 72372923 DZKVSKRUCJJLCI-FQEVSTJZSA-N 444.605 2.856 0 40 IFAB COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c(OC)c1 72393924 IFXRODXFMIYCSF-OAHLLOKOSA-N 437.500 2.750 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 89914320 GTHBBDNETIZNGN-VWLOTQADSA-N 447.491 2.940 0 40 IFAB C[C@@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 95482553 NLORHLNCSFNJRJ-SFHVURJKSA-N 445.585 2.631 0 40 IFAB Cn1cccc1C(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96145188 TVFMAEKFSRGGTO-UHFFFAOYSA-N 443.569 2.741 0 40 IFAB COc1cccc2c1ccn2CCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 96223546 FSPWBYRICJXERO-IBGZPJMESA-N 434.496 2.667 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(Cl)cc4)[C@@H]3C2=O)cc1Cl 100036648 QBRZKIPRXBMFQC-ROUUACIJSA-N 446.294 2.911 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)[C@@H](C)Cn4nc(C)nc4C)C3)nn2c1O 100138472 DJSXKFAOWUNPOF-GUYCJALGSA-N 425.537 2.556 0 40 IFAB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 106710054 RULKJQBYLUNYBH-BOPFTXTBSA-N 442.449 2.540 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NCC3(Sc4ccccc4)CCOCC3)cc21 211072036 IHMCVIGHUAWTHM-UHFFFAOYSA-N 434.539 2.751 0 40 IFAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NC[C@@H]2CCCO2)cc1 217499853 PQBGPOVYDAHOFD-SFHVURJKSA-N 434.514 2.505 0 40 IFAB O=C1[C@H]2[C@H]3C=C[C@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]43)[C@H]2C(=O)N1c1ccc(F)cc1 217573974 ZKXHQSHCOVDPJB-XAWFRAJHSA-N 434.398 2.692 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c(OC)c1 220208074 HQQSFLUNRSLULT-CYBMUJFWSA-N 438.502 2.514 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1OC 220229446 AMLJWWREFADLTG-HNNXBMFYSA-N 438.571 2.767 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN(Cc3ccccc3F)S(C)(=O)=O)CC2)c1C 222932924 GZHAPUXEXRBYPN-UHFFFAOYSA-N 433.549 2.553 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 223130079 CVDWINXPOYYBFC-FGZHOGPDSA-N 434.569 2.572 0 40 IFAB Cc1ccc(CN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)cc1 223433775 VNJBNAZWQLANJS-UHFFFAOYSA-N 435.977 2.759 0 40 IFAB O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(CN2CCOCC2)cc1 224564741 WJSKYRMYWRVIPX-UHFFFAOYSA-N 439.375 2.901 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225538199 PMJBOHVPXLVSNJ-UYAOXDASSA-N 439.597 2.997 0 40 IFAB CCOC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 242538725 JDHHXOJISZZKSV-SBHAEUEKSA-N 433.551 2.972 0 40 IFAB Cn1cc(C(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)c(-c2cccs2)cc1=O 252494376 NUCDCYVFZOXJME-UHFFFAOYSA-N 447.520 2.981 0 40 IFAB Cc1c(C(=O)N2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)n(C)n3)C2)cnn1C 257306948 SWRDGYCHPFKFPZ-NRFANRHFSA-N 443.935 2.951 0 40 IFAB O=C(CN1CCC2(CC1)CO[C@@H](Cc1ccccn1)C2)NCCc1nc2ccccc2[nH]1 257335624 YLCLXZKIDCDVLO-FQEVSTJZSA-N 433.556 2.730 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 306133101 MBYOJTOIWNKMCZ-DLBZAZTESA-N 447.495 2.572 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2c(c1)OCO2 408618944 GXNGVAQPNANDHI-UHFFFAOYSA-N 432.498 2.998 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1C 408625563 SXLKMRWIAWFARF-JXMROGBWSA-N 427.570 2.764 0 40 IFAB Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1C 409060925 XBOHJXPUOGYZFV-UHFFFAOYSA-N 439.541 2.858 0 40 IFAB Cc1cccc(NC(=O)[C@H]2CCCN(c3nnc(-c4nnc(O)c5ccccc45)n3C)C2)n1 508128246 AGWMFTBXKDFKJK-HNNXBMFYSA-N 444.499 2.689 0 40 IFAB Cc1c(CC(=O)Nc2ccc(OCCN3CCOCC3)cc2)c(=O)oc2cc(O)ccc12 524729106 CSNIDMTYWCFWFT-UHFFFAOYSA-N 438.480 2.699 0 40 IFAB biogenic Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 2726270 XFIFPLMXAHMTJY-UHFFFAOYSA-N 446.960 2.822 0 40 IFAB Cn1cc(I)c(C(=O)Nc2ccn(Cc3ccccc3F)n2)n1 2749346 FXJVBJFGSWLJKZ-UHFFFAOYSA-N 425.205 2.661 0 40 IFAB Cc1nnc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccccc1 3409800 TZICRILBRDUQKN-UHFFFAOYSA-N 425.470 2.787 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1 4897538 GOJONUUAPREILR-NRFANRHFSA-N 426.492 2.558 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@@]12C(=O)Nc1c(C)cccc12 9045846 BQDLWEHAVJYOKK-IBXRFGQTSA-N 429.904 2.802 0 40 IFAB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 9282977 ROQROQVQOBJFNQ-UHFFFAOYSA-N 440.905 2.934 0 40 IFAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2ccccc2c1 9373483 GYWPUJJJVOQCGM-UHFFFAOYSA-N 432.523 2.662 0 40 IFAB O=C(CCc1ccccc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569838 UFLNLOPBRAIFFY-UHFFFAOYSA-N 435.977 2.541 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 9665321 UQCWMEZTCYFSFD-UHFFFAOYSA-N 449.529 2.660 0 40 IFAB O=C(COC(=O)Cc1ccsc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9716273 MRASGRAKIWYLCT-UHFFFAOYSA-N 442.946 2.910 0 40 IFAB Cc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 10110819 QSXKQXHFMUDWGQ-QGZVFWFLSA-N 432.542 2.670 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCCC4)cc3)CC2)cc1 10288981 WVOJJAFSLYCSFQ-UHFFFAOYSA-N 427.570 2.738 0 40 IFAB Cc1ccccc1Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccccc3Cl)nnc12 10968663 YTGDXJKVXUVPIQ-UHFFFAOYSA-N 434.887 2.759 0 40 IFAB O=S1(=O)CC[C@H](n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccc(Cl)cc2)C1 11795953 AJPRIKIKOMNYRE-ZDUSSCGKSA-N 441.918 2.957 0 40 IFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc2c(c1)OCO2 12196902 LTWQBFTUCUMLAG-NSHDSACASA-N 433.349 2.821 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@@H](C)c4ccccc4)CC3)CC2)cc1 12527761 JMHSQMBEUFHRPZ-NRFANRHFSA-N 434.584 2.917 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)N1CCOCC1 13056770 ZSAGFNLULMEJGA-ARWBIZCKSA-N 448.585 2.911 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NCc1ccccc1 13685158 ZFMPLKZWTFMSHS-KDURUIRLSA-N 431.492 2.896 0 40 IFAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 16187882 FPLUOFGRXOKMIR-UHFFFAOYSA-N 431.341 2.981 0 40 IFAB CC[C@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 16388250 BBYKZNXUBXIRBA-GOEBONIOSA-N 431.396 2.695 0 40 IFAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 16515111 HJIKNCNPUKAQSB-UHFFFAOYSA-N 429.542 2.820 0 40 IFAB COc1ccccc1Nc1ncccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1 16695828 XQKJVNSSOXZKCL-UHFFFAOYSA-N 443.481 2.717 0 40 IFAB CC(C)C(=O)N1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 16839028 UNGXODFCHFIVIO-UHFFFAOYSA-N 435.528 2.660 0 40 IFAB CCCn1nnnc1COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 19012231 BCHQEYOJRAIDNI-UHFFFAOYSA-N 429.502 2.574 0 40 IFAB O=C(C1CCC1)N1CCc2c(nc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)[nH]c2=O)C1 19292849 NQDRQZVBCCGGFX-INIZCTEOSA-N 428.483 2.722 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)CCC3CCCC3)[nH]c2=O)C1 19404981 RATWYQLILMRJJH-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CCOc1ccccc1-c1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)o1 19417512 NMUGBAWZYFXDBV-UHFFFAOYSA-N 425.514 2.971 0 40 IFAB CNC(=O)c1cnc(C2CCN(C(=O)c3cc(-c4cccc(OC)c4)on3)CC2)nc1C 19766459 RLYKYMUEAJNUMQ-UHFFFAOYSA-N 435.484 2.828 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccccc1F 20460948 MBOJWSBNKGWXGZ-UHFFFAOYSA-N 427.929 2.841 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)CC1 20768211 NQVMCNGHOQRROI-UHFFFAOYSA-N 426.498 2.646 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)c1 21965565 GORWZXYMMZQPOG-HOYKHHGWSA-N 426.561 2.780 0 40 IFAB CCn1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(OC)ccc(OC)c3s2)n1 23128295 VLDMCGINLXCDCH-UHFFFAOYSA-N 445.545 2.509 0 40 IFAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 23183791 GDCFYBWCLNAYOD-BBRMVZONSA-N 433.302 2.866 0 40 IFAB CC(=O)N[C@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 27515959 XCMZMJFBJIDKSB-GSXXTENTSA-N 435.476 2.923 0 40 IFAB COc1ccc(OC)c(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640631 TZNGTVVTXIPPPM-IEBWSBKVSA-N 448.566 2.858 0 40 IFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 32755444 VGYDYIRCBMYXHK-HNNXBMFYSA-N 433.555 2.779 0 40 IFAB O=C(CCSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)NC1CC1 32871170 IFCNRCGDWLNZDP-UHFFFAOYSA-N 426.477 2.815 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 78965395 KDUCHSBYTHXGIL-QZTJIDSGSA-N 438.528 2.728 0 40 IFAB CCC[C@@H](CC(=O)O)NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 95989913 APQOMFJUGDRVES-GDXASINISA-N 426.535 2.545 0 40 IFAB Cc1ccccc1CNC(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 96144746 ZCHLSNMHUKUECE-FQEVSTJZSA-N 439.560 2.563 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1F 97943474 HNXBISKNAPMJQH-NRFANRHFSA-N 449.486 2.595 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@H]3C2=O)cc1C 101277567 YWTYAKGXNIBBRR-RTBURBONSA-N 446.423 2.576 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2cccc3ccccc23)CC1 101331551 NAUYEBGIYLJDLH-ZRZAMGCNSA-N 431.536 2.825 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@H]3CCO)ccc2Cl)C1 107591657 YWQPFIFRIUSSQQ-GOEBONIOSA-N 447.022 2.701 0 40 IFAB CN(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 219269551 ZENUNRCOHXHNFW-JOCHJYFZSA-N 443.613 2.914 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccccc2C(C)C)Oc2ccccc21 223779997 HRJVJRVTQHNWDQ-NRFANRHFSA-N 432.542 2.922 0 40 IFAB C[C@@H]1CCCN(CCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 223963714 IMBOOWSVAMWXPH-MRXNPFEDSA-N 431.549 2.749 0 40 IFAB COc1cccc(N(CCCC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)c1 224550551 JWQZDEBHNNSHIY-UHFFFAOYSA-N 425.595 2.624 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 225011070 FIOIYRBVTGHCLJ-IBGZPJMESA-N 435.521 2.846 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 408559949 NRFKBHNWWIHFBU-KRWDZBQOSA-N 446.525 2.531 0 40 IFAB CC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CN(C)C)Cc3ccccc31)N2CC1CC1 643577264 CMFKKNOWYWBPCU-PKTZIBPZSA-N 426.605 2.967 0 40 IFAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CN(C)C1=O 1888898045 XNFDGLOABYFXQL-ZSLAEUJXSA-N 448.463 2.517 0 40 IFAB COc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)c2csnn2)cc1 1346528 AYWSFYUIDTZNHE-UHFFFAOYSA-N 426.498 2.514 0 40 IFAB COc1cccc(C(=O)Nc2ccc(-c3nnn(CC(=O)NCc4ccccc4)n3)cc2)c1 1357947 RTALHUOITITWQZ-UHFFFAOYSA-N 442.479 2.917 0 40 IFAB Cc1nc(SCC(=O)NCCC2=CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 3332724 GYNJFYMVEGYYSI-UHFFFAOYSA-N 445.589 2.553 0 40 IFAB COCCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccccc2c1=O 6904692 XIIFBGUEALIHDW-UHFFFAOYSA-N 441.509 2.950 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2cccc(Br)c2)o1 8707000 DGRZEXAYEPISTL-UHFFFAOYSA-N 441.351 2.964 0 40 IFAB Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1 9194398 RMDYDHVRWBYHGB-UHFFFAOYSA-N 446.305 2.513 0 40 IFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1 9254143 LFILHEMCFZOSTC-UHFFFAOYSA-N 441.431 2.672 0 40 IFAB Nc1nc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)nc(Nc2ccc(F)cc2)n1 9336593 YYTQAFHKBLGKMF-HXUWFJFHSA-N 439.476 2.682 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3)C2)cc1 9349055 CURZPBGLUBZZIK-IBGZPJMESA-N 429.498 2.991 0 40 IFAB CC(C)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 9613027 ZZPGFQOIQXFLFW-MRXNPFEDSA-N 427.476 2.968 0 40 IFAB CC[C@H](NC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccc(C)cc1 9613884 OBSJXGWZGUUXHV-FQEVSTJZSA-N 449.555 2.569 0 40 IFAB CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nc2cc(S(N)(=O)=O)ccc21 9669990 OVMUMYDOACOOQC-ZDUSSCGKSA-N 430.555 2.774 0 40 IFAB O=C(/C=C\c1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851758 AYSZGVYDGDYYKD-QXMHVHEDSA-N 425.496 2.632 0 40 IFAB Cc1cccc(NC(SCC(=O)N2CCCC[C@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 10004254 OWWUFKILBVQNFI-OAHLLOKOSA-N 444.557 2.803 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)CC1 10542053 LUNMOWLUHQZHMK-UHFFFAOYSA-N 444.553 2.986 0 40 IFAB COc1ccc(C(=O)OCC(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCCCC1 11715001 USULNPHRCKXYSU-UHFFFAOYSA-N 440.562 2.579 0 40 IFAB Cc1ncc(-c2ccncc2)c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 12088872 TWCVIEOBQISHJI-UHFFFAOYSA-N 437.525 2.795 0 40 IFAB Cc1cc(-c2cc(=O)n(CC(=O)NCCN3CCCCC3)nc2-c2cccs2)on1 12155300 UGYWJRJBUIEAAW-UHFFFAOYSA-N 427.530 2.537 0 40 IFAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 12729474 XZYNGUWINVDRAD-ZDUSSCGKSA-N 434.905 2.926 0 40 IFAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(O)c1 12853731 NAQRKLCMZPUFKG-UHFFFAOYSA-N 432.498 2.511 0 40 IFAB CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)O 12945983 IQABIBBKGPFJAL-HXUWFJFHSA-N 436.574 2.582 0 40 IFAB CCCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1nnc(-c2ccco2)o1 12983418 IWUSTFWYSDTNQV-UHFFFAOYSA-N 446.529 2.763 0 40 IFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 13032560 UNTVJIJFVLEQBH-CYBMUJFWSA-N 438.889 2.748 0 40 IFAB Cc1ccc(C)c(-c2nnc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc23)c1 16045377 HHIBWHZUVWEYSY-INIZCTEOSA-N 425.510 2.596 0 40 IFAB C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 19463435 VVKVLSORIMQOKI-RIFZZMRRSA-N 426.561 2.945 0 40 IFAB CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(C(=O)c2ccnn2C)CC1 19530172 ZMHMTBZFRBNZKG-GOSISDBHSA-N 442.491 2.928 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19583864 MEDMQNFSTRBWLZ-UHFFFAOYSA-N 442.541 2.598 0 40 IFAB Cc1nc(N)c2ccc([C@@H]3CCCN(C(=O)Cn4c(=O)cc(C)c5ccccc54)C3)nc2n1 19743358 AMDJINOFWFULBP-QGZVFWFLSA-N 442.523 2.945 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4ccnn4C)nc32)cc1 19744300 YLLOSJZDPFTIPF-IBGZPJMESA-N 446.511 2.594 0 40 IFAB COc1ccc(CCN2CNc3c(c(=O)[nH]c(=S)n3Cc3ccco3)C2)cc1OC 19874664 WQMAXPVQDRFPLT-UHFFFAOYSA-N 428.514 2.992 0 40 IFAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCc2ccccn2)cc1 22231019 NVNRJKPWWFMRGV-UHFFFAOYSA-N 425.510 2.743 0 40 IFAB CCn1c(=O)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc21 22408789 KJZFMYIUHFNOQZ-UHFFFAOYSA-N 433.434 2.586 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 22920051 IDHRJKMSHCAAIP-UHFFFAOYSA-N 447.583 2.700 0 40 IFAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1Cl 23106975 VLDQQOVDDHJHNA-LJQANCHMSA-N 431.920 2.785 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NC[C@H]1CCCO1 23139227 MULVDEXYOJGMCH-LLVKDONJSA-N 438.912 2.970 0 40 IFAB COc1cc(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OC 23561139 YTQLOHUVSOYVLJ-FQEVSTJZSA-N 446.519 2.974 0 40 IFAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O 23804796 DKUCXXWOLGDBII-XXBNENTESA-N 433.552 2.875 0 40 IFAB CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 25740383 KWPYLUPXOGDYCK-UHFFFAOYSA-N 441.475 2.937 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)nn1-c1ccccc1 27447559 CNQTXWWLIUPVOF-UHFFFAOYSA-N 432.480 2.794 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 31210132 XRKWAZPKDMBWPQ-AWEZNQCLSA-N 426.330 2.747 0 40 IFAB COc1cc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1O 31861678 HMMFKXIBIIUASW-YQBXISBOSA-N 429.469 2.957 0 40 IFAB O=C1CSc2sc3c(=O)n(C[C@@H](c4ccccc4)N4CCOCC4)cnc3c2N1 32624522 OTULDXHGUGPGTP-AWEZNQCLSA-N 428.539 2.576 0 40 IFAB CCN(C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCS(=O)(=O)C1 32797216 JACBJQUJVSKVKD-DOTOQJQBSA-N 435.615 2.900 0 40 IFAB C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 32929935 UHVODCXEKQTCOM-QGZVFWFLSA-N 426.538 2.815 0 40 IFAB CCCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 33462978 ZAVCVKZZWNOOLU-UHFFFAOYSA-N 428.439 2.892 0 40 IFAB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cccc(-c3nnnn3C)c2)CC1 48265354 LUNLACWHQTXAQJ-UHFFFAOYSA-N 435.488 2.768 0 40 IFAB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)N[C@H]1CCCN(c2ncccn2)C1 48275966 SZRFQVQWUBTPBC-SFHVURJKSA-N 432.528 2.793 0 40 IFAB CC(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)c1 49406061 NTNSIPKZEKXADO-UHFFFAOYSA-N 435.459 2.644 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c2=O)c1 57486004 JKGNKWNHUVAWIY-HOTGVXAUSA-N 441.553 2.786 0 40 IFAB O=C(Nc1ccc(-n2cncn2)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 58163559 JENBDMALCWIPTC-CYBMUJFWSA-N 439.859 2.684 0 40 IFAB O=C(NCc1cc(Br)ccc1F)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 58283373 AOHLRMDZDKLNFX-NVXWUHKLSA-N 439.256 2.619 0 40 IFAB COc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)nc2)cc(OC)c1Br 65494840 WLXBSIZQFGISSB-UHFFFAOYSA-N 435.683 2.633 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2ccncc2)CCO1 72389169 QLWPJWDOJASKTJ-VWLOTQADSA-N 430.508 2.686 0 40 IFAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 102798700 XVFQESNBXYQSTJ-ZSLQJQOZSA-N 428.488 2.934 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)cc1 108235190 UHQGAHOMMGNWMW-IKQBDLNTSA-N 436.464 2.638 0 40 IFAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 219559612 CGAOTJDAOVLAPH-IBGZPJMESA-N 432.542 2.694 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1C(=O)N1CCCCC1 224032409 NCFSOLRUZFPNTL-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)cc1F 224277700 SIBIUYJSLCLKBX-UHFFFAOYSA-N 431.468 2.882 0 40 IFAB Cc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224378087 SBISJUGMDFGNIS-UHFFFAOYSA-N 438.571 2.527 0 40 IFAB C[C@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224610020 VKJNUYGDGGVNMS-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB O=c1sc2cc(S(=O)(=O)NCCCn3ccnc3)ccc2n1Cc1ccccc1 225748140 JRLRRIGGMMCUQA-UHFFFAOYSA-N 428.539 2.676 0 40 IFAB S=C(Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1)NC1CCCCC1 226008241 SPCSNHCDNWNMOI-UHFFFAOYSA-N 431.591 2.874 0 40 IFAB O=C(NCC(=O)N1CC[C@H](Oc2ncccc2Br)C1)OCc1ccccc1 238815182 BGZBYJPWSWMNHS-HNNXBMFYSA-N 434.290 2.750 0 40 IFAB Cc1nccn1Cc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)N(C)[C@H]1c1ccccc1 257274622 NLXHBXBZMDNBOM-SGNDLWITSA-N 445.567 2.872 0 40 IFAB O=C(NCCCN1CCN(c2ccccc2Cl)CC1)N[C@H]1CCN(c2ccccn2)C1 509749966 GKQXRPYKTOTGAJ-IBGZPJMESA-N 442.995 2.825 0 40 IFAB Cc1cccc(OC[C@@]2(O)CN(Cc3ccc(OCCN4CCCC4)cc3)CC[C@@H]2O)c1 585282043 WSHYEQCTLVVOMV-UIOOFZCWSA-N 440.584 2.846 0 40 IFAB OC[C@H]1[C@H](O)C[C@@H](NC2Cc3ccccc3C2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 604382651 XFTRYQDMNIOXSI-VEYUFSJPSA-N 445.563 2.713 0 40 IFAB biogenic,in-vitro NC(=O)[C@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c23)CCN1 1165071472 HBICBJSPOMSPKX-OAHLLOKOSA-N 442.614 2.669 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2cc(-c3ccco3)cs2)cc1 1889286970 OBHKJNOGWMOGIM-MRXNPFEDSA-N 446.506 2.673 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@]3(CCCN(c4nccc(C)n4)C3)C2)c1 2056224814 XEHHCEMLMIDPQN-JOCHJYFZSA-N 446.573 2.874 0 40 IFAB COCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2249151 FTKVMFSCDJHADG-UHFFFAOYSA-N 433.468 2.710 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)sc2c1CCCC2 3286301 LASDTOJJVGOSRE-UHFFFAOYSA-N 433.530 2.997 0 40 IFAB Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1C 8676953 VCHSCXUBLBGDJR-FQEVSTJZSA-N 438.528 2.746 0 40 IFAB COc1ccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)c(F)c1 8824875 CKAAFJMXAUFRTP-UHFFFAOYSA-N 438.209 2.562 0 40 IFAB COc1ccc([C@@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)Nc3ccccc3N2)cc1OC 9303039 UYJXIZLLJNGBQO-INIZCTEOSA-N 436.468 2.977 0 40 IFAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 9593871 DARISZRBMUOEPA-RTBURBONSA-N 437.525 2.572 0 40 IFAB O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)NCCc1ccccc1 9599976 RTMHSBBXIYTJHF-UHFFFAOYSA-N 442.522 2.970 0 40 IFAB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 9862242 FAXHXMLIHPNYDF-RDJZCZTQSA-N 433.603 2.958 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 10022933 TWEPDOUGUAVDIC-RYUDHWBXSA-N 436.559 2.532 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)cc2C)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 12276803 MHWRGVVEKYYIHZ-UHFFFAOYSA-N 433.468 2.780 0 40 IFAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c(OC)c1 12561806 ZXYBHXTWLFKETA-GASCZTMLSA-N 434.514 2.754 0 40 IFAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 12626893 YSRDFSFAAKUJTE-UHFFFAOYSA-N 442.459 2.797 0 40 IFAB COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1OC 12654538 YWHAHTLPPKBMRB-UHFFFAOYSA-N 427.457 2.972 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CSc1nc(N)cc(O)n1 12877249 AKSJPOCNXHLLTB-UHFFFAOYSA-N 449.842 2.626 0 40 IFAB COc1ccc2c(CCNC(=O)COc3ccc4nc5n(c(=O)c4c3)CCC5)c[nH]c2c1 12898884 PCMJYUKZRLDIHQ-UHFFFAOYSA-N 432.480 2.570 0 40 IFAB biogenic Cc1cccc(C(=O)NCCC(=O)N(C)CC(=O)Nc2ccccc2Br)c1 12911459 GIUAAIWELGMEJJ-UHFFFAOYSA-N 432.318 2.975 0 40 IFAB CN(C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCCC1 12977692 ZYSVODBWPQSXCO-UHFFFAOYSA-N 443.560 2.746 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2C)CC1 13084801 BZXAASVDIZWKKS-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB CC(=O)Nc1cccc(S(=O)(=O)N2CCC(c3nc(C)nc4ncccc34)CC2)c1 13228080 HFUVQYPBBLUPPS-UHFFFAOYSA-N 425.514 2.860 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCOCC2)cc1 14183864 SNRDRZASXFXCOK-HXUWFJFHSA-N 441.553 2.933 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14242840 AHXAFGZPDGRFGY-PKOBYXMFSA-N 425.554 2.985 0 40 IFAB O=C(CN1C(=O)N/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1ccccc1F 16450322 OOBXFBIIKSZQHN-UNOMPAQXSA-N 448.410 2.846 0 40 IFAB COC(=O)c1sc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)nc1C 17101237 QFTQOFPMDYNPIL-UHFFFAOYSA-N 437.396 2.930 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)C1 18223762 GRWQKIOWEFHIFY-IYBDPMFKSA-N 435.571 2.717 0 40 IFAB O=C(CCn1cncn1)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 19340757 VQBJTFDVCPIPHQ-HXUWFJFHSA-N 446.559 2.917 0 40 IFAB O=C(c1ccccc1)N1CCC[C@@H]1c1nn(CCO)cc1-c1ccnc(N2CCCC2)n1 19368758 XZTNPEKXKYVEJZ-OAQYLSRUSA-N 432.528 2.910 0 40 IFAB CCc1noc(CCC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)n1 19698593 AMWPZVBQPWCNDE-UHFFFAOYSA-N 448.527 2.801 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CCN(CC(=O)N(Cc1ccccc1)C(C)C)C2 19710913 JKQUSIWRFWKFDG-UHFFFAOYSA-N 436.604 2.781 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 20393261 CKQHOCFSFLTMIJ-QPXQOZNCSA-N 437.883 2.780 0 40 IFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 20458950 QQFKUUWOHRISFQ-FGTMMUONSA-N 427.636 2.633 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)c1C 22395755 CQAWINRPBMHYJH-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)Cn3cnc4ccccc4c3=O)c2C)cc1 23950997 DCJTUJYSLMSURJ-UHFFFAOYSA-N 445.479 2.689 0 40 IFAB COc1ccc(CN2CCN(C(=O)CCn3cnc4c(C)cccc4c3=O)CC2)cc1F 25005593 LQNDWLICYWGIKF-UHFFFAOYSA-N 438.503 2.587 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1OC 26111867 PTRASBMORMVBQE-UHFFFAOYSA-N 438.527 2.583 0 40 IFAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@H](C)C2 26357248 KVGYLLZCZPUYPL-CYBMUJFWSA-N 434.514 2.854 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)n(N)c2=O)cc1 27546263 ILEXHPNAPVESKX-UHFFFAOYSA-N 439.541 2.689 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3CC)n(N)c2=O)cc1 27546278 VKFXOBHNMMFWBY-UHFFFAOYSA-N 439.541 2.635 0 40 IFAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c1 28207974 BVRYOEPKYZYPHO-UHFFFAOYSA-N 428.894 2.625 0 40 IFAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)cc(C(C)C)nc21 29793200 YUZWNYLURJIQIC-UHFFFAOYSA-N 440.500 2.565 0 40 IFAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)n21 32932808 RQZWFRMOHKYZNU-GOSISDBHSA-N 431.496 2.998 0 40 IFAB O=C(Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O)Nc1ccc(F)c(Cl)c1 33309140 ARKUSRUJMSYUKO-UHFFFAOYSA-N 447.883 2.532 0 40 IFAB COCCNC(=O)Nc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)s1 35590171 GNLSHIWMOSBPPK-UHFFFAOYSA-N 449.602 2.879 0 40 IFAB CC(C)(c1nnnn1-c1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccco2)CC1 35622578 XXUKFPLUMRMTQL-UHFFFAOYSA-N 434.422 2.967 0 40 IFAB CC[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 38755543 TZDVBMZXBQGWQY-HXUWFJFHSA-N 430.505 2.872 0 40 IFAB CN(C)S(=O)(=O)c1cc(NC(=O)N2CCN(Cc3ccco3)CC2)ccc1Cl 40097278 RVPZLIQPANODOY-UHFFFAOYSA-N 426.926 2.533 0 40 IFAB O=C(CN1CCN(c2nccs2)CC1)Nc1cccc(I)c1 57466843 ZGNOGTJMUVXECZ-UHFFFAOYSA-N 428.299 2.508 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)NCc4ccc(Cl)cc4)c(=O)n3c(C)n2)cc1 67226587 GKIZHJXPRUMZEH-UHFFFAOYSA-N 437.887 2.845 0 40 IFAB COc1cc2nc(SCc3ccc(N4CCCC4=O)cc3)n(N)c(=O)c2cc1OC 71327771 VHUZAEDEZPLMDP-UHFFFAOYSA-N 426.498 2.547 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1Br 79016365 UBHNCWYMNWYRPL-UHFFFAOYSA-N 444.326 2.517 0 40 IFAB Cc1c(O)ccc2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc12 89537086 ZJEXXCYVKIYVIJ-UHFFFAOYSA-N 448.928 2.967 0 40 IFAB CC(C)c1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCOCC2)Cn2ccnc23)cc1 96243718 IAGPNQZDPFMWFR-QFIPXVFZSA-N 438.572 2.755 0 40 IFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]23)c(OC)c1 101358983 YGSIKGVIXXFPIC-DOTOQJQBSA-N 431.242 2.759 0 40 IFAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F)(C3)C2 101468519 RDHYOQXDTGYMEA-CFYSCFQDSA-N 437.462 2.976 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 215726919 JMKRFBBLBJZNBX-JOCHJYFZSA-N 449.507 2.520 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1C 220452221 ASXXGQUKLIDEHT-LBPRGKRZSA-N 426.441 2.853 0 40 IFAB C[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1cccc(F)c1)S(C)(=O)=O 220491475 STKIMNOPPYOZKM-CQSZACIVSA-N 432.477 2.689 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1Cl 222575759 ZEFHQCZATOVLST-UHFFFAOYSA-N 439.940 2.590 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223195368 MOVAOKDBRWROCH-MRXNPFEDSA-N 444.553 2.696 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223651407 DBFVUXLKLJSOLT-LJQANCHMSA-N 445.585 2.623 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC 224078254 UGINVHOILSEJOX-QGZVFWFLSA-N 448.541 2.743 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccccc3C)s2)cc1 225132788 JTNJNXNTGRSHLA-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB O=C(CCc1cc(Br)ccc1OC(F)F)N1CC(N2C(=O)CSC2=O)C1 225695418 KHYACEMHNNCTDW-UHFFFAOYSA-N 449.273 2.889 0 40 IFAB CCN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1ccc(Br)cc1 226054412 KIOBSQPXFLJHEP-UHFFFAOYSA-N 439.331 2.885 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(Cc3ccco3)CC2)Nc2ccccc21 257241285 HXLRSHTYWMWOBI-ONFALJKLSA-N 434.540 2.912 0 40 IFAB Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306123719 AUPFUFICHNNDLK-AVRDEDQJSA-N 427.574 2.984 0 40 IFAB COc1ncccc1CN1CCC2(CCc3nnc(C(=O)NCCC(C)C)n3C2)CC1 306130323 JCMJFCUJXRSPOA-UHFFFAOYSA-N 426.565 2.686 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 408591952 MMWATEFQLMOGET-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc(C(=O)OC)c1 408594846 PKKGBJZUTCOKCE-UHFFFAOYSA-N 448.497 2.507 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 408652776 CWSNREKPUTZYFK-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COc1cc2c(cc1OC)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 524730895 BFGXXNHYDGQUSX-OALUTQOASA-N 437.496 2.708 0 40 IFAB biogenic CC[C@H](NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(S(N)(=O)=O)c1 563323764 NTHZXVXKRFZVJH-OALUTQOASA-N 446.529 2.724 0 40 IFAB COc1ccc(Br)c(C(=O)NCC2(N3CCSCC3)CCOCC2)c1 1888853173 IYSJPWANAKKAON-UHFFFAOYSA-N 429.380 2.786 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CCC[C@]4(COc4ncc(F)cn4)C3)nn2)n1 1888922120 LLBNAVMQAOKWJZ-OPAMFIHVSA-N 437.479 2.530 0 40 IFAB COc1ccccc1NC(=O)N1C[C@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@@H]2C1 2086896895 UYNXNUDJQGVLOC-QZTJIDSGSA-N 433.516 2.888 0 40 IFAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)cc1 932488 BJLUJJZGJBQXIS-UHFFFAOYSA-N 440.485 2.513 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=S)NCc1ccco1)OCO3 1224869 IGFYQLXSEQBWOE-KRWDZBQOSA-N 441.509 2.906 0 40 IFAB Cc1ccccc1C(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1334975 JQTKXRGXLRUZQR-GOSISDBHSA-N 428.496 2.891 0 40 IFAB CCOC(=O)[C@@H]1N[C@@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 2317090 VNNZLGIBHWIYBJ-VSZNYVQBSA-N 443.297 2.831 0 40 IFAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1 3301353 WPNPDIJYUIMXJE-OAHLLOKOSA-N 440.452 2.873 0 40 IFAB COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1 4415934 QKINVQLPTQPRPB-UHFFFAOYSA-N 428.489 2.802 0 40 IFAB CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 9245804 BITMAWVAMTVODK-UHFFFAOYSA-N 436.574 2.944 0 40 IFAB CCOC(=O)[C@@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 9578545 MDVPDNDALFXRFR-MRXNPFEDSA-N 427.530 2.839 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21)Nc1cc(F)ccc1F 9675503 ORAYJEGSYGRIIF-HZPDHXFCSA-N 437.765 2.689 0 40 IFAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cs2)cc1 9784823 GRUSQNOKWFNSDK-UHFFFAOYSA-N 445.526 2.924 0 40 IFAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCOC)c1 9934202 BTHLVNQQCCDHNE-IBGZPJMESA-N 439.468 2.676 0 40 IFAB COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 10542175 QJVQNDSPUJDXDR-UHFFFAOYSA-N 428.938 2.540 0 40 IFAB Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 11115632 YPBWXQQEWPCEME-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3)o2)cc1OC 11726737 MAHXHCIELQRXGY-UHFFFAOYSA-N 428.470 2.748 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2cccs2)CC1 11752853 MROQFJBKECKWDI-UHFFFAOYSA-N 432.571 2.774 0 40 IFAB COCCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 12182106 SDPNICXFZPQEJG-RYQLBKOJSA-N 435.475 2.846 0 40 IFAB O=C(COc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12747438 PRPNKHCRZPPTHT-UHFFFAOYSA-N 430.860 2.530 0 40 IFAB Cc1ccc(CNC(=O)NCC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 12767426 BQBQYGBIXFUQNX-UHFFFAOYSA-N 447.333 2.654 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 12790344 BPQPXLYVZCTZIP-GOSISDBHSA-N 439.541 2.534 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1 12985443 YGYNRCWHDJXQOE-HXUWFJFHSA-N 428.554 2.894 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(N3CCCC3)n2C[C@H]2CCCO2)c1C 12989621 YZPXQZXZNXVZAZ-OAHLLOKOSA-N 447.561 2.764 0 40 IFAB O=C(NCCc1ccc(OC(F)F)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13149817 TVFVKJXCSKJUGZ-OAHLLOKOSA-N 432.423 2.771 0 40 IFAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585969 UCZHBJPTNIWFIT-UHFFFAOYSA-N 448.522 2.929 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 13628576 HIRQDSRUPIDXSW-WVSUBDOOSA-N 434.279 2.893 0 40 IFAB COc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1S(=O)(=O)N1CCOCC1 15302680 KZOQAWXGNJIJMZ-UHFFFAOYSA-N 444.553 2.776 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)COc2ccc(C)cc2OC)sc2c1CCC2 16045083 DBELEASKXVACML-UHFFFAOYSA-N 433.482 2.901 0 40 IFAB COc1ccccc1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 17128762 BTSXIELYZMRMPF-UHFFFAOYSA-N 443.978 2.669 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)CC3CCCCC3)[nH]c2=O)C1 19404978 WKRJEIPWQSBCJZ-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)c(C)n1 19524624 KLHUNXYCKMELSJ-PVXIVEMSSA-N 446.499 2.894 0 40 IFAB COc1cc(CN2C[C@@H](c3cccc(F)c3)[C@@]3(COCCC(=O)N3)C2)cc(OC)c1OC 19549916 FWRAKFMAAMFXCX-CYFREDJKSA-N 444.503 2.726 0 40 IFAB COc1cccc(C(=O)N2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 19564690 BTHOPOITUIDWQA-RUZDIDTESA-N 431.492 2.696 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19743852 WELMFOQSGUTHSL-QGZVFWFLSA-N 432.484 2.586 0 40 IFAB COc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1OC 22334136 KMYGPFJTZMMCSC-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Br)cc1 22471269 STNVLLGPEDPDAI-UHFFFAOYSA-N 443.301 2.578 0 40 IFAB COC(=O)C1(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CCCCC1 25172183 PIUHDQINIXCXFJ-HSZRJFAPSA-N 437.496 2.599 0 40 IFAB COc1cc(N2C[C@H](C(=O)Nc3ccccc3CN(C)C)CC2=O)cc(OC)c1OC 31231352 PAIGPAPPAZBQAU-MRXNPFEDSA-N 427.501 2.766 0 40 IFAB COc1ccc(CCNc2ccc3nnc(CCC(=O)N4CCCCC4)n3n2)cc1OC 32070482 HJDMODSOFIUBMP-UHFFFAOYSA-N 438.532 2.741 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-n4cccc4)ccc3F)CC2)cc1 32646424 VWOJNLBFXCRESE-UHFFFAOYSA-N 443.500 2.772 0 40 IFAB O=C1Nc2ccccc2/C1=c1\sc2n(c1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN=2 33662839 DHODWVJCTVYWEF-OBVHCKHUSA-N 436.496 2.688 0 40 IFAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 36382465 MXDLDUWRLWADJC-XZOQPEGZSA-N 437.540 2.580 0 40 IFAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(OC)cc1 36386929 KYCYQLZIPUKUKC-OAQYLSRUSA-N 431.558 2.512 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 37222228 OASAQHDLNKFWOJ-QFIPXVFZSA-N 427.570 2.630 0 40 IFAB C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)n1ccnc1 40145086 HIPLQJCWNPIKSR-AWEZNQCLSA-N 428.470 2.655 0 40 IFAB COc1ccc(NS(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(SC)cc2)cc1 49003444 GJAFJEWDFNYBAT-UHFFFAOYSA-N 432.527 2.871 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)cc1 57522508 IYFJMBSHZYCAII-UHFFFAOYSA-N 433.468 2.983 0 40 IFAB C[C@@H](NC(=O)CSc1cccc[n+]1[O-])c1cc2c(cc1Br)OCCO2 58417414 BFYHNKZHDUDHLE-LLVKDONJSA-N 425.304 2.823 0 40 IFAB O=C1N[C@H](C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)CS[C@H]1Cc1ccccc1F 65499860 QPEVEJFTDQKJPV-HKUYNNGSSA-N 445.491 2.873 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 65614580 MXRKQSOROQXCNM-LJQANCHMSA-N 444.513 2.585 0 40 IFAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1OC 71283094 KIUVYIQACJUHDL-TZMCWYRMSA-N 435.502 2.701 0 40 IFAB Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)nc2)no1 90558883 LTDCQOUZGKNZKJ-UHFFFAOYSA-N 439.541 2.830 0 40 IFAB O=C(CN1CCN(Cc2cccc3cccnc23)CC1)NC[C@@H]1CCN(c2ccccc2)C1 95356536 FEINJHGLNAJBMO-QFIPXVFZSA-N 443.595 2.995 0 40 IFAB COCCN(CC(=O)OC)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 95397103 GDWDXZRSRQEMTB-UHFFFAOYSA-N 437.846 2.618 0 40 IFAB O=C(Nc1nc2c(s1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CC2)c1ccoc1 96024334 LMAQSCOELVFILR-UHFFFAOYSA-N 445.522 2.737 0 40 IFAB Cc1nc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)cc1Cl 103333753 QUEFMKBLBYENJA-SDDRHHMPSA-N 442.299 2.742 0 40 IFAB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(Br)cc2)c1 113893858 ANKWYZPAXJRWEM-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(N2CCCCS2(=O)=O)c1 222563879 OIPSOPBMBBUCHG-UHFFFAOYSA-N 426.498 2.939 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222939388 PNQPNMVEYGQHAX-HXUWFJFHSA-N 445.585 2.623 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)CN2S(C)(=O)=O 223139176 BKBSVAHIHQSHEE-QGZVFWFLSA-N 428.432 2.857 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(Cl)cc2)cc1OC 223480594 BUVQKNSLBVFAGL-UHFFFAOYSA-N 440.949 2.727 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccc(Cl)cc2)cc1 225663112 DSVVZMIPMRMXCZ-UHFFFAOYSA-N 428.963 2.878 0 40 IFAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225670527 NWVZKRFOAUFZNM-UHFFFAOYSA-N 437.543 2.544 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)CC2)c1C 225679456 AODDBEFTPFOFEP-UHFFFAOYSA-N 437.591 2.650 0 40 IFAB Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O 253401516 FRVAKXNDVPTLIH-IRMATFOQSA-N 432.568 2.898 0 40 IFAB COc1cc(C(=O)N2CCC[C@@]2(C(N)=O)c2ccccn2)ccc1OCc1ccccn1 257201784 AJAVTUCTGMHXTN-DEOSSOPVSA-N 432.480 2.681 0 40 IFAB CC(C)n1nccc1NC(=O)CN1CCCC[C@H]1C1CCN(CC(=O)N2CCCC2)CC1 257234653 GUNQTPXKFBVCML-NRFANRHFSA-N 444.624 2.591 0 40 IFAB O=C1CO[C@@]2(CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)CN1c1ccc(F)cc1 257307128 SXHYYMIPQSBCFO-XMMPIXPASA-N 438.499 2.908 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cc3c(N4CCCC4)nc(SC)nc3s2)CC1 408636893 VRKVJXHLFUFUKF-UHFFFAOYSA-N 435.575 2.928 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1C 575612040 IITVVKPZHWQILA-AWEZNQCLSA-N 442.335 2.788 0 40 IFAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(N5CCCC5)cc4)cnc32)cc1 1330828 RMWWAHKCEPRJBT-UHFFFAOYSA-N 444.495 2.830 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 3258637 GNNLAZLQMDEQCS-UHFFFAOYSA-N 425.532 2.536 0 40 IFAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 7217595 MNFSPGVFEGUZKI-IBGZPJMESA-N 427.570 2.502 0 40 IFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC(=O)Nc1ccc(F)c(F)c1F 8631786 IYBOCPQNENDLHK-UHFFFAOYSA-N 441.715 2.693 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@@H]2C)c1 9120243 WLHMDQWVJUHDKN-RBUKOAKNSA-N 435.524 2.856 0 40 IFAB CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccccc1Cl 9194377 QKJORNYYIOTCCP-UHFFFAOYSA-N 445.907 2.803 0 40 IFAB COc1ccc(S(=O)(=O)N2CN(C[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 9216199 AOIJDWGTAJGIJB-INIZCTEOSA-N 426.498 2.790 0 40 IFAB CCOC(=O)[C@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(F)cc3)n2n1 9578742 NLOBSHSWZHAWKV-HNNXBMFYSA-N 431.493 2.670 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 9633760 XWLRWGBDKPVMLL-GOSISDBHSA-N 432.498 2.648 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 10441061 IVTIBFVARGERNJ-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB O=S1(=O)CC[C@@H](n2nc(-c3ccco3)cc2NS(=O)(=O)c2cccc(Cl)c2)C1 11795894 NYSFDBGFODLASS-CYBMUJFWSA-N 441.918 2.957 0 40 IFAB COc1cccc(CC(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c1 12188607 SAQDOVKFCFPQIV-UHFFFAOYSA-N 441.553 2.680 0 40 IFAB NC(=O)c1cc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)cc(C(N)=O)c1 12549911 YCVQMIWBJLRQJC-UHFFFAOYSA-N 430.486 2.878 0 40 IFAB CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nc(C)n1 12602759 WIUDGQSQVYSWLQ-UHOSZYNNSA-N 439.560 2.966 0 40 IFAB biogenic,in-vitro CCN(C(=O)[C@@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1 12847406 AJRMNFKVAOTOAJ-GDBMZVCRSA-N 432.542 2.628 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 13294964 UIYOOOLBNCOVHL-IBGZPJMESA-N 433.505 2.759 0 40 IFAB COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13508534 NVNNMBRIFKVYRA-JOCHJYFZSA-N 433.468 2.561 0 40 IFAB O=C1N[C@H]2CCCC[C@@H]2N[C@@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13540739 CXEOPBGOOGVGNI-KMDXXIMOSA-N 446.595 2.710 0 40 IFAB O=C(N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)N(c1ccccc1)c1ccccc1 13564784 AVAIHPQQTNFXQZ-UHFFFAOYSA-N 431.496 2.923 0 40 IFAB CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)C)c(=O)c2cc3c(cc21)OCO3 13608727 BSRIXMREXABMOF-IBGZPJMESA-N 449.507 2.616 0 40 IFAB CCn1c(CSc2nnc(N)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 15156243 UDESBCTWFREBRY-UHFFFAOYSA-N 438.604 2.957 0 40 IFAB CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 16003407 HOHIDAICECEART-UHFFFAOYSA-N 438.527 2.506 0 40 IFAB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]23)c(OC)c1 16006940 YGSIKGVIXXFPIC-RDJZCZTQSA-N 431.242 2.759 0 40 IFAB Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)c3ccc4c(c3)OCCO4)o2)cn1 19215130 WJNJIUYRMYMZAQ-MRXNPFEDSA-N 428.470 2.737 0 40 IFAB CCOc1ccc(CC(=O)N[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]32)cc1 19533080 UQSVDOLTICYILV-COPCDDAFSA-N 428.554 2.762 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2cnccn2)CCO1 19580846 QJHXRSGEICLEKV-HSZRJFAPSA-N 436.537 2.747 0 40 IFAB Cc1noc(CCC(=O)N2CC[C@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)n1 19739009 DSGGTOGEWGCACT-KRWDZBQOSA-N 440.548 2.750 0 40 IFAB CNC(=O)c1cc([C@@H]2CCN(C(=O)c3cc(-c4cnn(C)c4C)on3)C2)nc2ccccc12 19762532 BDIGHHFFHIIEQC-OAHLLOKOSA-N 444.495 2.921 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 20354177 RQDXLWJUUMFQKK-LJQANCHMSA-N 448.523 2.875 0 40 IFAB CC(C)[C@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 21733454 GWFJENFWGAGBIF-JXFKEZNVSA-N 447.561 2.619 0 40 IFAB COc1cccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(F)cc4)nn23)c1 22720663 OWIJMYGCPCDXIF-UHFFFAOYSA-N 426.433 2.770 0 40 IFAB CCC(=O)N(c1nnc(SCCC(=O)NC(=O)NCc2ccccc2)s1)C1CC1 24745972 QOALRIJGYZSPPS-UHFFFAOYSA-N 433.559 2.952 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 24858134 UMAAUGBKXJHWCW-NQIIRXRSSA-N 442.471 2.850 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cc(Br)ccc2F)c1 25129250 HPQVTMXGILVYHB-UHFFFAOYSA-N 429.311 2.913 0 40 IFAB COc1cc(CNC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc(OC)c1OC 25595240 OQCWITQIZPBUMN-UHFFFAOYSA-N 434.411 2.740 0 40 IFAB O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 26109169 ZAGRHFCEWNJZHO-CQSZACIVSA-N 435.373 2.830 0 40 IFAB COc1ccccc1CN(C)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 30753064 QTXYDKIKYZCUET-UHFFFAOYSA-N 441.347 2.882 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCc4ccccc4C3)C2)s1 31339751 LZMIDOVCSOEZPP-FQEVSTJZSA-N 447.626 2.632 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 43983732 DCJKQPLPJYMNGT-UHFFFAOYSA-N 445.541 2.578 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1ccc(N2CCCCCC2)nc1 48374860 RWUDPANQALGRMR-WFXMLNOXSA-N 431.606 2.804 0 40 IFAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1cc(OC)c(OC)c(OC)c1 57730946 BVEJXSNHQLAETO-QGZVFWFLSA-N 425.485 2.560 0 40 IFAB O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58167929 OOFROAOSUPSVCJ-NZQKXSOJSA-N 433.556 2.635 0 40 IFAB CCC(CC)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 72300930 PFGPCJULANCBDK-GBXCKJPGSA-N 439.512 2.701 0 40 IFAB CC(C)(C)OC(=O)CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72303188 RYKHAVNPYUAOEF-INIZCTEOSA-N 432.517 2.829 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CN3C[C@@H](C)O[C@H](C)C3)CC1)N2 72337895 NAKWIZULVAHWKL-XYVMCAHJSA-N 443.514 2.827 0 40 IFAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(S(=O)(=O)N(C)C)C3)c2)cc1 72390553 PUHKPZLIINHWSP-HSZRJFAPSA-N 429.586 2.791 0 40 IFAB COCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@H]2CC=CCC2)CC4)CC1 72398761 XTSOBTVJJYMGMF-KRWDZBQOSA-N 439.560 2.502 0 40 IFAB CC(C)[C@@H](NC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)c1nccn1C 95939057 JSMZQFLSTFDVPL-HXUWFJFHSA-N 430.530 2.925 0 40 IFAB CC(C)CC(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CCN2S(C)(=O)=O 96144919 NABKQSASXUQTID-UHFFFAOYSA-N 448.564 2.828 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1ccc3c(OC)cccc31)C=C2 96221834 JSLFDCLYVLWPJZ-UHFFFAOYSA-N 449.507 2.839 0 40 IFAB biogenic O=C(CNC(=O)c1ccc(F)cc1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 97996353 FRLYUWRMRWBHIN-GZTJUZNOSA-N 445.447 2.547 0 40 IFAB CC[C@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC)c(OC)c1 219448546 JRKQZCGGFCKUGU-KRWDZBQOSA-N 446.525 2.896 0 40 IFAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1 222625846 NDTCGRPOOFNBGU-OAHLLOKOSA-N 436.505 2.907 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222691007 HKGBMSODIDWJMR-HNNXBMFYSA-N 446.525 2.742 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O 224100110 IGZZGZRWALIEHQ-SFHVURJKSA-N 434.558 2.970 0 40 IFAB O=C(NCCCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225547306 FCGKAXNVWVWSJL-KRWDZBQOSA-N 427.998 2.733 0 40 IFAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(CC(=O)Nc3nc(C)c(C)s3)CCO2)n1 257223572 DXYYQXYNQGEDJP-IBGZPJMESA-N 426.546 2.876 0 40 IFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CCCC1 302110366 WBCMWHRDVXNFBK-GOSISDBHSA-N 437.359 2.961 0 40 IFAB Cc1nc(CN2CCC[C@]3(CN(Cc4cccnc4)C[C@H]3c3ccnn3C)C2=O)cs1 306129910 IQHKVBBIZLIBKR-NZQKXSOJSA-N 436.585 2.988 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)c1C 409365415 ZLJWZXRTMIGEAB-VCHYOVAHSA-N 439.493 2.843 0 40 IFAB COC[C@]1(CNC(=O)NC[C@@]2(COC)OCCc3ccccc32)OCCc2ccccc21 685907840 GPBHJFNVAYUQFY-DQEYMECFSA-N 440.540 2.515 0 40 IFAB Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cnn4c3C(=O)NCC4)cc2)n[nH]1 1857594127 ROTWSDMXHVGAHZ-QZTJIDSGSA-N 446.511 2.953 0 40 IFAB COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)c1 2723479 OPGBMYJVSHVUIY-UHFFFAOYSA-N 428.470 2.782 0 40 IFAB COC(=O)c1sc(NC(=O)COc2nc(C)nc3ccccc23)c(C(=O)OC)c1C 3562868 NSTDAYNTGBTROH-UHFFFAOYSA-N 429.454 2.899 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccccc2F)CC1 8593704 TXXMYSJFAXIDHA-INIZCTEOSA-N 437.562 2.637 0 40 IFAB CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 9211134 JSDRRTOADPPCHY-YHYVQYDKSA-N 438.524 2.567 0 40 IFAB O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9463561 VQCBXPGZCRNFKO-UHFFFAOYSA-N 439.331 2.651 0 40 IFAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3S[C@@H]3CCS(=O)(=O)C3)cc2NC1=O 9496979 FVTIFIZABXLVIS-GXTWGEPZSA-N 432.523 2.938 0 40 IFAB Cc1ccccc1OC[C@H](O)CNC1CCC(NC[C@@H](O)COc2ccccc2C)CC1 9509785 ADCIBYAOLKOWOK-SNDHGLFQSA-N 442.600 2.973 0 40 IFAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)NCCN1C(=O)CSC1=O 9633720 OCVDTZRSWUWGOW-UHFFFAOYSA-N 444.560 2.706 0 40 IFAB Cc1cc2nc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c3ccccc3n2n1 9634802 CHLIIUHSMOQHJG-UHFFFAOYSA-N 425.489 2.841 0 40 IFAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1 9683387 XTEUSPREPPZCCG-OAHLLOKOSA-N 446.617 2.777 0 40 IFAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9714587 GMWBTIUUQXDJKR-UHFFFAOYSA-N 446.525 2.708 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9798838 KNTODJNRNNOTJY-KRWDZBQOSA-N 432.498 2.558 0 40 IFAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)N(C)C 10545660 DSAXWMKJVQLOPD-INIZCTEOSA-N 442.541 2.842 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(NS(C)(=O)=O)c1 10547427 OXEOCPOYEDSKKL-GOSISDBHSA-N 437.949 2.782 0 40 IFAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1c[nH]c2ccccc12 10733678 DIQKRDNRNPVEJR-OAHLLOKOSA-N 442.493 2.617 0 40 IFAB Cc1cccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 12805444 LZCMYIZZFCCGLD-PDGQHHTCSA-N 441.484 2.717 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(N(C)C)CCCCC3)CC2)cc1 12992541 AAHLDPIRXYHARN-UHFFFAOYSA-N 449.617 2.671 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=S)Nc2ccccc2)CC1 13084849 VFFQFWFETDEGFO-NRFANRHFSA-N 442.560 2.851 0 40 IFAB CC(=O)N[C@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 13084939 NRGDMHWSJYPMCP-JOCHJYFZSA-N 425.504 2.602 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccccc1Br 13667968 JLXSVGDVAZJEPQ-UHFFFAOYSA-N 425.348 2.964 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc(F)cc3F)n2)cc1 13800612 KSDIAENSPJBCSQ-UHFFFAOYSA-N 429.423 2.782 0 40 IFAB COc1ccc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 15883671 FLPSDMNHWKJLJF-UHFFFAOYSA-N 442.541 2.570 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nn1-c1ccccc1F 16489555 NZTCXHFIOFOEMP-UHFFFAOYSA-N 444.488 2.619 0 40 IFAB Cc1c(OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc2c(-c3ccccc3)cc(=O)oc12 16702832 FLCHZMSPHZQWKG-KRWDZBQOSA-N 441.505 2.793 0 40 IFAB biogenic Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc(-c3ccccc3)cn12 16992632 RJNYQGMAAQADRK-UHFFFAOYSA-N 440.550 2.991 0 40 IFAB CN(CCO)C(=O)c1cc([C@@H]2CCN(Cc3cccnc3N(C)C)C2)nc2ccccc12 19761765 RHEKNWFSANCDRA-GOSISDBHSA-N 433.556 2.750 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20493065 RPVABGKZDZZVRS-HOTGVXAUSA-N 438.571 2.741 0 40 IFAB COc1ccc(-c2nc3c4c(C)c(C)n(CCN5CCOCC5)c4ncn3n2)cc1OC 20624236 VYLMBGUWRAJAKC-UHFFFAOYSA-N 436.516 2.712 0 40 IFAB O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 20768563 WZQCCZQZBABWPJ-UHFFFAOYSA-N 428.963 2.993 0 40 IFAB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(C)c1 22796391 WHDXLUCHGACONT-NRFANRHFSA-N 426.536 2.794 0 40 IFAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1=O 23121308 HYVRMOKNTNIKBB-SFHVURJKSA-N 435.506 2.629 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2F)cc1 25947875 WORCEDKGPSFYBU-UHFFFAOYSA-N 430.299 2.889 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 28296883 UVRFNUIXRWDDPF-VAGOZBQTSA-N 435.505 2.531 0 40 IFAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCCN4CCOCC4)cc3)n2)cc1 32579086 IMSXFZGVQZNEDD-UHFFFAOYSA-N 436.512 2.929 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 32617792 AJWFRQVMEXGNTC-JCAJYURWSA-N 433.533 2.927 0 40 IFAB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 33880737 UMWHVBTZIYRUQL-BZDHPDOMSA-N 425.847 2.910 0 40 IFAB O=C(CN1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 35414179 CQHQRKGNKFEJDQ-UHFFFAOYSA-N 449.576 2.731 0 40 IFAB CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(F)ccc1OC 39986339 LWOPXVPZJYTUGR-UHFFFAOYSA-N 426.466 2.501 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C1=O 40040053 QTSCVFDTWAHSSR-RUZDIDTESA-N 449.507 2.671 0 40 IFAB O=C(CCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 40069599 NIWXOVGFHYFHGE-UHFFFAOYSA-N 432.926 2.843 0 40 IFAB NC(=O)C1CCN(C(=O)c2sccc2NS(=O)(=O)c2ccc(Cl)cc2)CC1 67245539 WCQGQYRWVZMCHZ-UHFFFAOYSA-N 427.935 2.540 0 40 IFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 69582926 WOHZDWMPRHQHKX-HNNXBMFYSA-N 426.521 2.884 0 40 IFAB O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)Nc1ccc2c(c1)OCCO2 70638561 BEKNSIZHQIEYLM-UHFFFAOYSA-N 440.481 2.756 0 40 IFAB Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1 72328338 UAYYZHRDQBFJPI-UHFFFAOYSA-N 433.599 2.806 0 40 IFAB Cn1c(=O)n(C)c2cc(CN3CCC[C@H](c4ncc(Cl)cc4S(C)(=O)=O)C3)ccc21 72394309 ZLLRSBKIRGJHFE-HNNXBMFYSA-N 448.976 2.709 0 40 IFAB O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 84374360 CLHCJZAENDDGNJ-AWEZNQCLSA-N 427.309 2.902 0 40 IFAB CN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)C1(C(N)=O)CCCC1 89335328 MKXCLIFZIYAINU-UHFFFAOYSA-N 429.542 2.782 0 40 IFAB O=C(O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 95956903 HRMRAJMSOBUJIU-QGZVFWFLSA-N 441.459 2.521 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1OC 96114898 XEYOSKGWKNBWAO-KRWDZBQOSA-N 436.468 2.645 0 40 IFAB biogenic CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C)Cc1ccccc1 96251305 OMMPLCGFEOIBSL-HXUWFJFHSA-N 443.613 2.930 0 40 IFAB O=C(NCCc1ccccn1)[C@@H]1C[C@@]2(CO1)CN(C(=O)c1cccnc1)c1ccccc12 96262946 ZYUZCFGQFASXBP-DHLKQENFSA-N 428.492 2.523 0 40 IFAB CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2ccccc21 100873311 LBFVJSJKPUEGMC-MRCUWXFGSA-N 433.555 2.731 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccccc1F 101174280 GDAAZRCYTVGVOI-HZPDHXFCSA-N 446.236 2.520 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 215760440 JCIWCKWDLLVMQJ-IYBDPMFKSA-N 435.615 2.665 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c(C)c1 218791662 KLGHISHAEFRENK-LJQANCHMSA-N 432.498 2.728 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1F 220086826 GPBYWZMDZJKBJY-UHFFFAOYSA-N 443.903 2.733 0 40 IFAB Cc1cccc(N([C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 220153557 STUSPDIAJBEEIH-CQSZACIVSA-N 434.543 2.920 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)c1ccccc1F 223547745 XJNGXGLFGBRLIU-UHFFFAOYSA-N 445.516 2.787 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 224126175 PZKFYCCCKHECTP-OAHLLOKOSA-N 438.571 2.621 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCOc1cccc(C)c1)=C2C 224580354 CNARJMIFULQCPF-UHFFFAOYSA-N 446.525 2.718 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOCc1ccccc1 225145531 OUDCRYATPCKGDU-UHFFFAOYSA-N 446.569 2.745 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)N(c3nccs3)C(=O)[C@H]12 245377226 JGAMTRCHRAOMSO-KKNJHRACSA-N 444.123 2.909 0 40 IFAB NC(=O)C[C@H]1CN(C(=O)CCCn2cccn2)CC[C@@H]1Oc1cccc(Br)c1 257243662 IHZFAKYUIAPKBJ-YJBOKZPZSA-N 449.349 2.597 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2C/C=C/Cc2ccccc2OCC(=O)N3C)c(=O)n1C 257266757 MEJQPUGMQIJSHL-MMMLIGKRSA-N 449.551 2.707 0 40 IFAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)c1 409382950 PHMBZKNBUYZPPR-UHFFFAOYSA-N 436.530 2.964 0 40 IFAB O=C(O)CCNC(=O)c1ccc(NC(=O)C2(OCc3ccccc3)CCOCC2)cc1 539572085 YQAOZGHAOYCSMC-UHFFFAOYSA-N 426.469 2.596 0 40 IFAB Cc1cc(I)cc(NC(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)c1 561327795 XAMVXESHEZRHLY-CQSZACIVSA-N 436.315 2.598 0 40 IFAB O=C(N[C@@H]1CCCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1)c1ccccc1 1538962220 ZKZWTJZHYWKLQZ-LJQANCHMSA-N 437.521 2.917 0 40 IFAB O=C1N[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 2492465 LLOBSIAHOOBTDM-INIZCTEOSA-N 447.822 2.629 0 40 IFAB O=C1N[C@H](c2ccccc2OC(F)F)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 3179637 OPLFHFWZRUBNGY-AHIWAGSCSA-N 431.317 2.787 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 8940020 JLVRPPDFDPHHFA-NLFFAJNJSA-N 449.507 2.761 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O)Nc1ccc2c(c1)OCO2 9233698 BKKWZLYGXDMPOW-FRKPEAEDSA-N 426.406 2.789 0 40 IFAB Cc1nc(Cc2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)o2)cs1 9245805 HTKCKWYAQUEZDR-UHFFFAOYSA-N 447.498 2.637 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 9257121 IIALHVOAKODKED-QUCCMNQESA-N 429.542 2.959 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(C)c3)n2C)s1 9263987 SOXNYYKARQLYHW-UHFFFAOYSA-N 445.574 2.758 0 40 IFAB Cc1ccc(-n2nnnc2SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c(C)c1 9284881 IHJRNNGWGQFVEE-UHFFFAOYSA-N 428.493 2.607 0 40 IFAB CC(=O)Nc1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 9444311 OICSARAIPRFAMR-UHFFFAOYSA-N 434.905 2.897 0 40 IFAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N2CCCCCC2)c2ccccc21 9519553 QASXXBXBKYTCEF-UHFFFAOYSA-N 433.574 2.686 0 40 IFAB COc1ccc([C@H]2[C@@H](C(=O)O[C@@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 9538541 JXUJEYSAOSCDJG-VPKVUBIPSA-N 440.496 2.914 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccccc5N)c(C)c(C)n34)n(C)c2=O)cc1 10233676 FXEAAHKZDCPVSG-UHFFFAOYSA-N 428.496 2.694 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@@H]1c1cccs1 10391777 OOQCMDQGHNTYGM-MRXNPFEDSA-N 431.470 2.570 0 40 IFAB O=C(NCc1nnc2n1CCCCC2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 10961905 PLCXYUDIGYBGRH-UHFFFAOYSA-N 428.496 2.693 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)c1 11481430 ZYRJRCCKZKAZFV-UHFFFAOYSA-N 447.694 2.545 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2cc(Br)ccc2OC)cc1OC 11613838 WQXYAWQECVAOOW-UHFFFAOYSA-N 430.320 2.996 0 40 IFAB Cc1nnc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1-c1ccccc1 12512035 PXMRPCMBUACINI-UHFFFAOYSA-N 429.590 2.819 0 40 IFAB O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1)c1ccccc1 12754649 RREFLZNPEZJEBN-UHFFFAOYSA-N 432.926 2.611 0 40 IFAB CCOC(=O)Nc1ccc2c(COC(=O)c3ccc(-n4cnnn4)cc3)cc(=O)oc2c1 13149881 IAHOBNUIMMWENF-UHFFFAOYSA-N 435.396 2.694 0 40 IFAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)c1 13302325 NVKARVFZQNJSOB-UHFFFAOYSA-N 439.287 2.840 0 40 IFAB COc1cc(Br)c(CCNC(=O)CN2C(=O)COc3ccccc32)cc1OC 14198344 MVKQGJSHJVWAKG-UHFFFAOYSA-N 449.301 2.551 0 40 IFAB COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 18075665 QSSIGYZKTXSFIS-UHFFFAOYSA-N 440.521 2.983 0 40 IFAB O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19348121 KXBQCMVTLAAZKK-QFIPXVFZSA-N 447.514 2.769 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)n2)cc1 19533848 WAKDLICAKWMHRF-UHFFFAOYSA-N 428.378 2.887 0 40 IFAB COc1ccc2nc(SCC(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)[nH]c2c1 22185727 UZZCCIQFTCHLFH-SFHVURJKSA-N 426.542 2.681 0 40 IFAB COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)on3)nc12 22768265 YWCADHCPANUGSN-UHFFFAOYSA-N 446.529 2.979 0 40 IFAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(CCOc2ccccc2)CC1 23846200 NVTYCBITMQKUMR-UHFFFAOYSA-N 431.536 2.722 0 40 IFAB COCCNC(=O)C1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 24833682 WGYNJYVKBDSWLE-UHFFFAOYSA-N 432.746 2.516 0 40 IFAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc(OC)c1C 25023948 RXSJPEMDGLTIKF-UHFFFAOYSA-N 438.933 2.812 0 40 IFAB COc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccsc3)N(C)C)c2C(F)(F)F)nn1 25332287 RFEBQIJZETVGTO-ZDUSSCGKSA-N 440.451 2.784 0 40 IFAB CC(=O)O[C@H]1C[C@]2(C)[C@H](O)CC(C)=C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]2[C@]1(O)C(C)C 31157360 KHLABRVSJLTKHQ-CUKJZWFUSA-N 432.513 2.974 0 40 IFAB biogenic,in-vitro Cn1cc(/C=C/C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)c(=O)n(C)c1=O 32865655 YVFCDMZQLXUMOF-VDZCTEQFSA-N 435.549 2.943 0 40 IFAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cc(OC)c(OC)c(OC)c1 40312771 GOXJFHIELMUNEL-HSZRJFAPSA-N 439.468 2.650 0 40 IFAB biogenic Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCCN(Cc2cccs2)CC1 48276799 JNAVAZCIEKWDMZ-HXUWFJFHSA-N 428.537 2.700 0 40 IFAB COC(=O)c1sccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 48314721 CXLOKAIASSYDAY-UHFFFAOYSA-N 437.543 2.690 0 40 IFAB COc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 49009219 CHINRXHJVKHLOT-UHFFFAOYSA-N 449.536 2.984 0 40 IFAB COc1ccc(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)SCCC4)cc1OC 49403735 OQWBMHJAUGREPP-UHFFFAOYSA-N 425.510 2.882 0 40 IFAB CN(C(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)c1cccc(Cl)c1 57520353 NZCFLPBENBXLOY-UHFFFAOYSA-N 442.932 2.963 0 40 IFAB COc1ccc2nc(N3CC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)sc2c1 62023132 AORDHGIPALLYFB-UHFFFAOYSA-N 432.527 2.751 0 40 IFAB COc1ccccc1CN1CCc2nc(SCC(=O)NC3CCCC3)nc(O)c2C1 67291281 GZSSMPXMLHVNDP-UHFFFAOYSA-N 428.558 2.900 0 40 IFAB CC(C)C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C)C(N)=O 68605643 LLTBESZDWJXUAR-HKUYNNGSSA-N 428.533 2.846 0 40 IFAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 72358693 NTBIQXJOKAKBTG-QGZVFWFLSA-N 440.500 2.950 0 40 IFAB COc1ccccc1N1CCN(CCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 77200784 BGAHAMWZVZVPMW-UHFFFAOYSA-N 437.519 2.787 0 40 IFAB CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c1 95399523 OJBZUOMBHSYDSV-NRFANRHFSA-N 431.558 2.975 0 40 IFAB COc1ccc(COCCNC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1 95458875 AUAQDYFVDWNBNS-QFIPXVFZSA-N 444.528 2.800 0 40 IFAB CCN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]12 96145316 IXVIYRARFWHQCY-IFMALSPDSA-N 446.548 2.725 0 40 IFAB NC[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218239130 KABRPIILECQRPU-ULQDDVLXSA-N 430.751 2.980 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)Cc1ccccc1F 223643467 ICVRCXNORICALM-UHFFFAOYSA-N 430.501 2.936 0 40 IFAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 223887351 SDCOYNJTXGTCIR-UHFFFAOYSA-N 448.541 2.674 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224905435 NHWDALIEDWEWMX-UHFFFAOYSA-N 436.486 2.664 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1N1C(=O)CCC1=O 224937751 VLRGCLJMMJKQIP-UHFFFAOYSA-N 429.498 2.750 0 40 IFAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 257240980 HWBBDXZXILTPHO-BZSNNMDCSA-N 428.558 2.672 0 40 IFAB COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 408709527 CULKTTFHSOIFML-UHFFFAOYSA-N 431.492 2.923 0 40 IFAB COc1ccc([C@H]2CN(C(=O)C(C)(C)NC(=O)Cc3ccc(F)cc3)CCN2C)cc1 1848352597 VTLKUYKSDIVBGZ-OAQYLSRUSA-N 427.520 2.787 0 40 IFAB NS(=O)(=O)c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(Cl)cc2)cc1 1105858 PCDDXUAKDPYZOU-GOSISDBHSA-N 433.873 2.631 0 40 IFAB COC(=O)/C(C)=C\C=C\[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@@H](CC(OC)OC)[C@@H](C)[C@@H](O)[C@H]1C 6441837 IUPRBAQOWNNLEG-APVGMKGLSA-N 428.566 2.705 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c1 8611408 KABUDUYUCFGKFT-UHFFFAOYSA-N 425.576 2.774 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1 8645494 DLNADXIJCPZBKC-VWLOTQADSA-N 444.491 2.947 0 40 IFAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8708319 CPJNDXPRQYSZQY-SNVBAGLBSA-N 438.406 2.626 0 40 IFAB COc1cc(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc(OC)c1 8764573 ODPJLNZYNYYGBJ-UHFFFAOYSA-N 443.500 2.818 0 40 IFAB biogenic CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)s1 8826008 ZCMAYUQXXGWILX-UHFFFAOYSA-N 442.588 2.698 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cc1 8848422 KEAOSBYUYYAFED-DEOSSOPVSA-N 448.479 2.605 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 8891598 MEPKMXDYDQYIBR-QHCPKHFHSA-N 438.459 2.747 0 40 IFAB Cc1nc2ccc(S(=O)(=O)NCCn3nc(-c4cccs4)ccc3=O)cc2s1 8954924 RGYADWCPTZCZHL-UHFFFAOYSA-N 432.552 2.868 0 40 IFAB COc1cccc(-c2nn(CC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c3nc(C)sc23)c1 8955915 MWASKNFEUJLGBQ-UHFFFAOYSA-N 449.492 2.575 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 9001518 VZDKIRAGLIESMH-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB COc1cc(CN(C(=O)c2cccs2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 9195101 DFKZIACOASAKCB-CQSZACIVSA-N 425.528 2.603 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1C 9396649 KTKGWYRRNPWPDJ-UHFFFAOYSA-N 447.513 2.643 0 40 IFAB CCCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 9730440 HBBXGINSWPCGJM-UHFFFAOYSA-N 432.571 2.545 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 9743270 UFDBINPBBBMRBI-SFHVURJKSA-N 433.505 2.514 0 40 IFAB COc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1I 10113744 YFOKEHPFFDJLEC-UHFFFAOYSA-N 446.310 2.715 0 40 IFAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 11676276 BXHUUGIKQBUDNP-OALUTQOASA-N 426.513 2.698 0 40 IFAB COc1cc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)cc(OC)c1OC 12415253 UAALMQSJLCDGMV-UHFFFAOYSA-N 426.454 2.671 0 40 IFAB CCCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 12981162 VWOKPMUFPHPBNC-UHFFFAOYSA-N 429.542 2.792 0 40 IFAB O=C(O)COCC(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 13326660 OSSVAQTUSDBVEZ-UHFFFAOYSA-N 431.297 2.594 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1 13568375 VAWPXLPHFKBFHB-UHFFFAOYSA-N 431.558 2.590 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc2c(c1)OCO2 13573108 RUYBZGDMIYFSPF-KGLIPLIRSA-N 443.550 2.653 0 40 IFAB COc1cc2oc(=O)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(C)c2cc1OC 13727708 BKHHYKNYWWAMHF-UHFFFAOYSA-N 434.452 2.940 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)cc1 19210475 YZYUJQVZJIJIEN-FQEVSTJZSA-N 430.574 2.512 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 19236036 RWKVAHUBDYJZPQ-UHFFFAOYSA-N 435.528 2.786 0 40 IFAB CN1C[C@H](C(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19587219 OVOAXMCOWGIYDN-UZUQRXQVSA-N 425.554 2.530 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2CC(=O)N(C)C2CCCCC2)n1 19709778 TZEUJBKPHVUGMP-HXUWFJFHSA-N 430.597 2.815 0 40 IFAB Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(CC(=O)NC[C@H]3CCCO3)c2n1 20579745 GYEPAHDFOPVSJF-QGZVFWFLSA-N 439.899 2.885 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 22056656 GWCNTJFEPGIIFF-UHFFFAOYSA-N 428.514 2.715 0 40 IFAB CCONC(=O)[C@@H](CCSC)NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 22875138 PTWXBBMCNGYILW-LLVKDONJSA-N 434.889 2.827 0 40 IFAB COc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1NS(C)(=O)=O 22993666 YLGDQCSUUGCBMB-UHFFFAOYSA-N 426.498 2.993 0 40 IFAB CC(C)n1ncc2cc(C(=O)N3CCN([C@@H](C(N)=O)c4ccc(Cl)cc4)CC3)cnc21 24082401 JPOGUOLOFZTDQF-LJQANCHMSA-N 440.935 2.650 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(N2CCCC2=O)c1 24289684 SWANVZJNTDQPSD-UHFFFAOYSA-N 433.555 2.841 0 40 IFAB COc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc(Cl)c1OC 24774891 PGUQKQIKBGPLDX-UHFFFAOYSA-N 441.919 2.841 0 40 IFAB C[C@H]1CN(CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 24833925 WUHSYHAIJUXOGS-HDICACEKSA-N 435.524 2.712 0 40 IFAB O=C(N[C@H]1CCOc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 24990017 QWOYRZXIMWQSFN-SFHVURJKSA-N 436.917 2.615 0 40 IFAB O=C(CSc1nccc(C(F)(F)F)n1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 26340782 HZDJNVSSMCVNBF-ZDUSSCGKSA-N 431.461 2.808 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc4nncn4n3)CC2)c(OC)c1 28107899 CHUBOAGUTMAQII-LJQANCHMSA-N 436.516 2.722 0 40 IFAB Cc1ccc2c(C)c(CCC(=O)OCCOc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 32841087 BFIQQVDPMBLLNO-UHFFFAOYSA-N 445.493 2.612 0 40 IFAB COc1cc(NC(=O)[C@@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)cc(OC)c1OC 32891657 OCQQFPDLCXUBSB-YJBOKZPZSA-N 434.489 2.633 0 40 IFAB CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1 36384705 ODDSOHSVHDHYLL-UHFFFAOYSA-N 429.586 2.953 0 40 IFAB CCOC(=O)c1sc(NC(=O)N2CCC(CC(N)=O)CC2)c(C(=O)OCC)c1C 40149922 CAWFOTAGOHHGFN-UHFFFAOYSA-N 425.507 2.529 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 40399188 HKIVNCHJMJXCOK-INIZCTEOSA-N 447.451 2.755 0 40 IFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 48237849 WHFVPXVFVRFMRF-KRWDZBQOSA-N 440.523 2.998 0 40 IFAB COC(=O)c1cc(Cl)c(NC(=O)NCc2cccnc2N2CCOCC2)cc1OC 58214599 YLLXZGHBCSYIOV-UHFFFAOYSA-N 434.880 2.689 0 40 IFAB CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(OCCCC(=O)O)c(F)c3)ccc21 60353777 PDTFPUVFAMVYDS-UHFFFAOYSA-N 436.461 2.779 0 40 IFAB O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 61718272 DJLOAKQZFJRAHW-GFCCVEGCSA-N 444.369 2.716 0 40 IFAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)N[C@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 67288911 DJCXHLMRMSEOHT-WMZHIEFXSA-N 431.492 2.984 0 40 IFAB O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@@H](Cc1ccccc1)NC(=O)N1CCSCC1 71328889 HRBKTQUEPKYOCC-CVEARBPZSA-N 447.586 2.698 0 40 IFAB COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cccnc1OC 72306782 QPTIDDJTFYSWAA-INIZCTEOSA-N 432.274 2.848 0 40 IFAB CCn1cc(CN(C)C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)c(C)n1 72327588 RWLOJJRCQFWWCF-DEOSSOPVSA-N 438.528 2.587 0 40 IFAB Cc1n[nH]c2nc(-c3ccccc3)cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c12 72332392 WYDUNIVGKYYXBA-UHFFFAOYSA-N 435.509 2.553 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)C[C@H]3C[C@H](C(C)=O)C3(C)C)CC1)CNC2=O 72393377 DXBCRZDYAAPJJO-VQIMIIECSA-N 428.529 2.820 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cn1 84572568 LETOZVWGBPLEQQ-UHFFFAOYSA-N 431.481 2.554 0 40 IFAB COC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccc(F)cc1 113877969 AALLBWYWEGMACM-UHFFFAOYSA-N 449.241 2.799 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccc(OC(C)C)c1 113942391 CUDALPRVQGVVSG-UHFFFAOYSA-N 432.542 2.733 0 40 IFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218215035 NUQIJOGDLJPESP-JENIJYKNSA-N 438.343 2.897 0 40 IFAB COc1ccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)n2)cc1 219287323 LXCNNUDOSNYHRR-UHFFFAOYSA-N 436.877 2.700 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222412493 LLDGCMPPJCGNHM-IBGZPJMESA-N 445.585 2.541 0 40 IFAB Cc1cc(C)n(-c2cccc(C(=O)N3CCCC[C@@]3(C)C(=O)NCc3nonc3C)c2)n1 257285448 PHCIHXZYEKVXIM-QHCPKHFHSA-N 436.516 2.882 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408598036 ZAWOVTWCUWRTSX-LBPRGKRZSA-N 430.885 2.810 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652372 CJRORNHQLIOVJI-WIOUJZMWSA-N 432.904 2.877 0 40 IFAB COC(=O)c1cc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)ccc1Cl 408679108 IJGGSBCXGABDGG-UHFFFAOYSA-N 432.832 2.810 0 40 IFAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 408710119 PCIWXWUEPQSGIO-FQEVSTJZSA-N 436.556 2.718 0 40 IFAB COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 581961496 BVJHIKFMVMWNEO-TZQWOGLNSA-N 446.588 2.915 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4ncc(C)s4)n3)CC2)cc1 585262644 NQPDKGPHVMWUKE-UHFFFAOYSA-N 445.570 3.562 0 40 IFAB O=S(=O)(Cc1cc(F)ccc1F)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440759 BIQSFENRYDBWEP-CYBMUJFWSA-N 434.262 2.500 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 2657394 QAFHXRQCKMPDLG-UHFFFAOYSA-N 434.514 2.696 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(I)cc1 3216390 LSJLFAYFRVYFKU-UHFFFAOYSA-N 425.178 2.815 0 40 IFAB CCOC(=O)N1CCN(C(=S)NC(=O)c2cc(Br)ccc2Cl)CC1 3257200 CSFHVNDHKLMIID-UHFFFAOYSA-N 434.743 2.891 0 40 IFAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 3326816 UITYQRROVRICNT-LJQANCHMSA-N 430.526 2.524 0 40 IFAB CC[C@@H](OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 5225778 FJXSUUDNDQGLGD-HUUCEWRRSA-N 436.559 2.659 0 40 IFAB Cc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CC1 7728282 SCHZQPYOZIGKJH-UHFFFAOYSA-N 428.964 2.863 0 40 IFAB O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8687836 FSZYYJWKXFSRKU-DHZHZOJOSA-N 441.553 2.960 0 40 IFAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8751105 UDPUFFNDCCRLLY-UHFFFAOYSA-N 443.525 2.615 0 40 IFAB COc1ccc(CCn2c(=O)[nH]c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1 8876323 LPLYJZXCQZDDDE-QFIPXVFZSA-N 446.507 2.552 0 40 IFAB biogenic C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 9128897 SLIDLXQIQRCBRI-QGZVFWFLSA-N 442.537 2.996 0 40 IFAB CCCCN(C(=O)COC(=O)Cc1coc2cc(C)c(C)cc12)[C@@H]1CCS(=O)(=O)C1 9436564 GCTSIWGSUCHHDF-GOSISDBHSA-N 435.542 2.951 0 40 IFAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807469 PIKXSJFHZNOILO-LJQANCHMSA-N 443.569 2.828 0 40 IFAB CCOC(=O)c1sc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)nc1C 9833611 BZHIEPPDVVNOFC-INIZCTEOSA-N 447.513 2.565 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 9835305 DWACUQORMOWWNE-UHFFFAOYSA-N 430.530 2.629 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccccc3Cl)n2)cc1 9844817 JXMHPWYTYDFLSI-UHFFFAOYSA-N 433.917 2.941 0 40 IFAB CCn1c(=O)n(CC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c2ccccc21 10512938 GGPISJHIMNCACC-UHFFFAOYSA-N 448.479 2.680 0 40 IFAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 10634635 ZIQMIXHILBIIAU-AWEZNQCLSA-N 429.498 2.531 0 40 IFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Br 10834521 YFVNERUVQSCPMC-OAHLLOKOSA-N 441.347 2.978 0 40 IFAB CCn1cc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)c(C)n1 12085539 UMFSIWUDUXTXRB-QFIPXVFZSA-N 443.935 2.812 0 40 IFAB CC[C@H](C)[C@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 12888480 KLSJNVIFZZGDER-QSFXBCCZSA-N 429.517 2.551 0 40 IFAB biogenic O=C(CN1CCN(c2ccc(C(=O)N3CCCC3)cn2)CC1)Nc1ccccc1Cl 12919089 KLCSVPYEQWBDOX-UHFFFAOYSA-N 427.936 2.732 0 40 IFAB COc1ccccc1C(=O)COC(=O)c1cc(S(=O)(=O)N(C)OC)ccc1Cl 13027373 RWNPUBKFYIFPAI-UHFFFAOYSA-N 427.862 2.570 0 40 IFAB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 13364340 DKIPAORWLBQEDZ-UHFFFAOYSA-N 428.470 2.832 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 13591594 BOXDUJWURISJAO-HXUWFJFHSA-N 443.459 2.519 0 40 IFAB O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCCC1 14014253 SNTKPOCSXGTANN-NRFANRHFSA-N 449.523 2.635 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 14117812 KLJOETQJBDXRLM-XMMPIXPASA-N 434.496 2.501 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1cccc(Br)c1 14141836 VCTLGOGINAZUAP-UHFFFAOYSA-N 438.709 2.929 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)CC1 15591002 QSVJOQZQTJGNPL-UHFFFAOYSA-N 439.896 2.584 0 40 IFAB O=C(CCC(=O)c1cccs1)NCCC(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 16368442 PYGXLKLPRYLPQW-NRFANRHFSA-N 428.510 2.780 0 40 IFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1 16594331 HFKNSWOYMXGRSN-HXUWFJFHSA-N 443.569 2.709 0 40 IFAB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 18021595 FBAJDKBKALTKHD-ZSYWTGECSA-N 438.281 2.917 0 40 IFAB C[C@H](NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)c1cccs1 19459656 TXWPDEXWFLRQQI-DFFLPILJSA-N 427.526 2.845 0 40 IFAB CCN1C[C@H](C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccc(C)cc3)C2)CC1=O 19526946 DOKLNKITAUCQBV-FCHUYYIVSA-N 433.552 2.648 0 40 IFAB Cn1c(=O)n(CC(=O)N2CC[C@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)c2ccccc21 19704628 GTCKKQDDFCUNLX-INIZCTEOSA-N 449.486 2.797 0 40 IFAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19761864 LVBPGPZITPHXMB-QGZVFWFLSA-N 433.508 2.904 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)c(N3CCCCC3)nc3ccccc32)c1OC 21657639 RBFANBWQYIAWNN-UHFFFAOYSA-N 436.512 2.720 0 40 IFAB O=C(COc1ccccc1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 21884364 NAUCPWVXERWDHY-UHFFFAOYSA-N 447.520 2.546 0 40 IFAB COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 22390291 KXTLGDOIALVTTI-CVEARBPZSA-N 430.432 2.689 0 40 IFAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(CCC(=O)O)c(O)n3)n2)cc1 22799470 JHTDNPJDCVDNNI-UHFFFAOYSA-N 431.499 2.757 0 40 IFAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc(N2CCCC2=O)cc1 24945584 NJLQKDGQSOJKKP-UHFFFAOYSA-N 434.496 2.866 0 40 IFAB COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2C)cc1 28058291 LRSLGQOADWXHNC-QGZVFWFLSA-N 427.519 2.521 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)c(C)c1 32727656 PNVXHNCSDRYKLF-UHFFFAOYSA-N 426.498 2.500 0 40 IFAB C[C@@H](CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 32825652 AZOQMHDEVUCQQJ-NSHDSACASA-N 425.304 2.862 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(-n3nnc4ccccc4c3=O)cc2)cc1OC 36366156 MEZWZZWQUISZLQ-UHFFFAOYSA-N 430.464 2.770 0 40 IFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCCN3C[C@@H](C)C[C@H](C)C3)cc(C(C)C)nc21 40146758 BDONJYRNUMUOSU-IRXDYDNUSA-N 443.592 2.716 0 40 IFAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)NN1C(=O)NC2(CCCCC2)C1=O 57378549 KIYANBIFUMJDCL-OAHLLOKOSA-N 427.530 2.719 0 40 IFAB O=C(NCCCCN1CCOCC1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 58297376 RBXXQENBRJEKMT-UHFFFAOYSA-N 435.521 2.892 0 40 IFAB CC(C)c1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)c1 67226405 GORRLLRFMMSDEU-UHFFFAOYSA-N 427.530 2.519 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)CC1 67262918 LANWOUZHLPDDCJ-UHFFFAOYSA-N 440.891 2.897 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1OC 72325193 MRUWCKANHVYPTK-XMMPIXPASA-N 437.496 2.651 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340237 CEFIGYGDDALBDP-AYFLJRIOSA-N 430.520 2.940 0 40 IFAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)Cc2ccccn2)n1 72391873 CDIADZOHTXDOSR-IBGZPJMESA-N 444.539 2.631 0 40 IFAB O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cn2cc(Br)cn2)o1 78820782 GMFNQKTXYFVWIC-CQSZACIVSA-N 436.287 2.545 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)c1 102869311 GNESOCQLAHPJRI-KBPBESRZSA-N 429.498 2.941 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)c1 220210371 YZWCUTFNYOZHDG-OAHLLOKOSA-N 438.571 2.767 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220344521 DQTZCMRAKOFUOX-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 220377510 ABPOHEHMLLYUHK-NSHDSACASA-N 441.903 2.724 0 40 IFAB COc1ccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(OC)c1OC 222499578 PBYSGZSEKDLHIH-UHFFFAOYSA-N 442.921 2.692 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 223670645 AYQXOBYJWYXTAR-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CN([C@@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 224537952 FIGCDVQFVHSGDS-JOCHJYFZSA-N 429.586 2.921 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1c(F)cccc1F 224887480 IMTVJNCYOQYKTE-UHFFFAOYSA-N 430.448 2.845 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccc(F)cc3)s2)cc1 225192721 JMRTXXPWGLEPDC-UHFFFAOYSA-N 436.490 2.595 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 225516240 XHRYATHYPXSUKQ-QGZVFWFLSA-N 440.525 2.762 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2ccccc2Cl)CC1 238856094 JYRXNHOLJKCRIB-UHFFFAOYSA-N 425.942 2.619 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1 245108378 SUFAVKQDEAAAID-HXUWFJFHSA-N 430.507 2.587 0 40 IFAB Cc1cc(C(=O)N2CC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)C4)C2)c2c(C)noc2n1 257215203 CPDCXSUUWXCHHD-INIZCTEOSA-N 446.511 2.867 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2Cl)c1 408610462 QYIBTVUPCSHSKV-UHFFFAOYSA-N 437.949 2.511 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408666773 SKRQTNTVNYCZAV-WYZBVHOTSA-N 426.513 2.841 0 40 IFAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(N)=O)C1=O 409167913 KFZWNKWXFYDHBL-LICLKQGHSA-N 425.466 2.534 0 40 IFAB COc1cc([C@H](CC(=O)NCc2c(C)noc2C)c2oc(C)cc(=O)c2O)ccc1O 524731137 LHKPWGIJYFCJEK-HNNXBMFYSA-N 428.441 2.811 0 40 IFAB biogenic Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)c2ccco2)n1 585148200 ZDSWRSTWLMJLQY-HXUWFJFHSA-N 449.511 2.954 0 40 IFAB Cc1cc(N2CCN(C(=O)c3cc(N4CCNC4=O)ccc3F)CC2)nc(C(C)C)n1 606347299 WZNVAECAGMFBJZ-UHFFFAOYSA-N 426.496 2.540 0 40 IFAB CCc1noc2ncc(C(=O)N3CCN(C(=O)c4ccccc4OC(F)F)CC3)cc12 617456313 HWBHLTXQRGTNDJ-UHFFFAOYSA-N 430.411 2.985 0 40 IFAB COCC(=O)N1CCCN(C)CCN(S(=O)(=O)c2ccc(C)cc2)Cc2ccccc21 643557928 ADIJHVHVGBIWCW-UHFFFAOYSA-N 445.585 2.501 0 40 IFAB CCOc1ccccc1CN1CCC2(CCCCOC[C@H](C)NC(=O)[C@H](C)NC2=O)CC1 643564922 NIUPTUVKWRUQLC-PMACEKPBSA-N 445.604 2.877 0 40 IFAB COC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1OC 814159 ORKGCPUJESQXGF-FQEVSTJZSA-N 443.431 2.653 0 40 IFAB CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3CCCC[C@H]3C)nnc12 1325931 WNJUJGCIKIKLSP-OAHLLOKOSA-N 428.562 2.702 0 40 IFAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1SCC(=O)N1CCCC1 3528832 PCWNOEKWYUTLHL-UHFFFAOYSA-N 438.505 2.854 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 3587803 QSQUKGGBSWOBMC-UHFFFAOYSA-N 432.498 2.658 0 40 IFAB O=c1[nH]nc(SCc2nnc(-c3ccc(Br)s3)o2)n1C[C@@H]1CCCO1 9050011 SQPXIDMODOPBNI-QMMMGPOBSA-N 444.336 2.917 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccccc1Cl 9183586 ZBLZOTRWAZSFLA-OXRZLYTFSA-N 439.924 2.847 0 40 IFAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3CCO)C2=O)c1OC 9253119 VYIHZJOZZPRGFP-UHVIJJLKSA-N 434.514 2.504 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(S(C)(=O)=O)cc2)c1C 9463930 ZVDYDUMMBIZODQ-LJQANCHMSA-N 444.553 2.967 0 40 IFAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnnn3C[C@H]3CCCO3)c2C)cc1 9477969 LSRKSQCVYPTLQY-QGZVFWFLSA-N 427.534 2.694 0 40 IFAB CN(C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCO3 9604059 DFVFNXFYXFCMDL-GOSISDBHSA-N 427.482 2.760 0 40 IFAB CCCCn1c(N)c(N(CCC)C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c(=O)[nH]c1=O 9671216 VBSSYGFSYFASGO-UHFFFAOYSA-N 448.392 2.600 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4C)[C@@H]3C2=O)cc1Cl 9674976 OFCXBSSECDPKIU-OALUTQOASA-N 441.875 2.897 0 40 IFAB O=C(CSc1nnnn1-c1cccc(F)c1)Nc1cc(Cl)ccc1-n1cncn1 9788903 VUEVXRUNNCJLJR-UHFFFAOYSA-N 430.856 2.766 0 40 IFAB Cn1cc(C(=O)N2CCN(c3nccs3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 11187387 SDPAHYRYEUSPEX-UHFFFAOYSA-N 425.514 2.667 0 40 IFAB COc1ccc(-c2cc(C(=O)NCCc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996980 ZWJSOPFBDXRRID-LJQANCHMSA-N 439.537 2.891 0 40 IFAB biogenic O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)NCc2ccco2)c1 12550302 CIZICQKCOUVGCT-UHFFFAOYSA-N 441.509 2.847 0 40 IFAB COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 12777094 MIFUVYKBWHLCEO-XLIONFOSSA-N 448.516 2.647 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1OC 12795716 XQMWDWWVIZDXPH-KRWDZBQOSA-N 446.525 2.742 0 40 IFAB C[C@@H]1Oc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)cc2NC1=O 12878853 URSPTFSSTNDZKQ-AWEZNQCLSA-N 439.493 2.818 0 40 IFAB O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 12892226 KQJNAGFUOFNHFR-JTKRFKOTSA-N 427.504 2.809 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCCCCC1 13671246 AAMSYUFHDNGKAF-UHFFFAOYSA-N 437.606 2.866 0 40 IFAB CCOCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 13944954 QNSONDYNNXSLTI-AWEZNQCLSA-N 445.520 2.767 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 13948186 VGDZTYKHWDWWTR-UHFFFAOYSA-N 448.526 2.785 0 40 IFAB O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 14171263 IBCCJUZGAZYARV-UHFFFAOYSA-N 427.320 2.508 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cccc(CS(C)(=O)=O)c1 14937653 LDQRADOYYQZXCI-UHFFFAOYSA-N 433.917 2.783 0 40 IFAB COc1ccc(Cc2nn3c(SCC(=O)Nc4ccc(F)cc4)nnc3nc2O)cc1 15882079 HIVCMAFQKJIQKX-UHFFFAOYSA-N 440.460 2.694 0 40 IFAB COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccs2)c(N)n1 16842455 RIUNXVGUNBKFCD-UHFFFAOYSA-N 436.540 2.693 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)c4ccccc4F)nn3c(O)c2C1 19017963 VEKVJYVKNLHNJY-HXUWFJFHSA-N 437.475 2.846 0 40 IFAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cn2cc(C)nn2)C1 19528560 CJIAJMBEYWHFTI-RUZDIDTESA-N 446.555 2.636 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2ccccn2)CCO1 19529284 MNYQDLLKSFFGMF-RUZDIDTESA-N 430.508 2.734 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[nH]c(=O)c1Cc1ccccc1 19579255 BYWBYFFMLVITDX-JOCHJYFZSA-N 442.519 2.989 0 40 IFAB Cc1ccc2c(c1)c(=O)c(C(=O)N1CC[C@@H](c3ncncc3-c3noc(C)n3)C1)cn2C 19693864 OLDCXHXXDWOKFF-OAHLLOKOSA-N 430.468 2.625 0 40 IFAB Cc1nc([C@H]2CCCCN2Cc2ccc(OCCN3CCCC3=O)cc2)ncc1C(N)=O 19764495 NGYXOLDQWUZTHP-OAQYLSRUSA-N 437.544 2.612 0 40 IFAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCCN1CCCCC1 20108391 NRFAXFUULDBMHN-UHFFFAOYSA-N 431.533 2.994 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 21916294 UAGITYXPEKSUGK-QGZVFWFLSA-N 441.528 2.926 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1F 22000836 WSRBSKXUMKSWGG-XMHCIUCPSA-N 433.480 2.753 0 40 IFAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)NC1CCN(Cc2ccccc2)CC1 22931738 UDWXTWUOHYMSMC-UHFFFAOYSA-N 448.611 2.520 0 40 IFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N[C@H](CN1CCOCC1)c1ccccc1 28875800 YXKYSMUCCPYEGV-HUUFRCNWSA-N 425.573 2.509 0 40 IFAB CCN1CCN([C@@H](c2cc(OC)c(OC)c(OC)c2)c2nnnn2C(C)(C)CC)CC1 35290692 SUUHOQILMRJCAV-IBGZPJMESA-N 432.569 2.571 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 40087373 BRQAOHPTEZYQRZ-HNNXBMFYSA-N 425.476 2.513 0 40 IFAB CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 41098157 OPGLOLYUTULGIH-KSFYIVLOSA-N 437.496 2.590 0 40 IFAB COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)c(Cl)c1 58307112 HKVPCSFYXDDORE-UHFFFAOYSA-N 441.845 2.501 0 40 IFAB CO[C@H]1/C=C/[C@@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@@H](C)CC/C=C/1C 67913531 XBLHNZRXAORYAC-ZNJMHSNLSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)CC1 70007227 GCKSIWDIIVRFDR-KRWDZBQOSA-N 445.539 2.503 0 40 IFAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(OC)c(OC)c3)c2)n1 71768560 NEJYLDGWUXIVIG-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](c3cccc(F)c3)N3CCOCC3)CC2)cc1 72296545 AOSXOJWIWSQIGR-QHCPKHFHSA-N 425.504 2.750 0 40 IFAB CCCn1c(CN2CCCC[C@@H]2c2ncn[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 95454734 DYXPEOMCZWTKAA-GOSISDBHSA-N 431.566 2.542 0 40 IFAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 95479960 PDJQBJVCCWSIJJ-UHFFFAOYSA-N 426.467 2.764 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)cc4Cl)[C@H]3C2=O)cc1 101165989 NHNRVUDGOFAJBF-QZTJIDSGSA-N 427.848 2.589 0 40 IFAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc(C(C)=O)c1C 102440349 UUHSOXZKAZAKHG-OKILXGFUSA-N 434.514 2.940 0 40 IFAB Cc1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1 206772364 KLRZGRNGKPNXCN-KRWDZBQOSA-N 442.541 2.590 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 223604496 JVDLZSFHCYVAEY-UHFFFAOYSA-N 432.889 2.995 0 40 IFAB COc1ccc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)c(OC)c1OC 224541863 XPYSJHDOEPXBIB-PKNBQFBNSA-N 426.513 2.874 0 40 IFAB CCc1ccc(OCCNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)cc1 224691571 HCVTXFXPOUABCY-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 225207497 TYZAKRDVOVISIK-LJQANCHMSA-N 445.585 2.705 0 40 IFAB S=C(NCc1cccnc1)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1 225940177 UWBZGFNYHWGHJM-UHFFFAOYSA-N 427.578 2.575 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3[C@H]4CO[C@@H](O4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)c(OC)c1 247905808 SENZXLJEQCKYHY-MPMKQHERSA-N 433.460 2.727 0 40 IFAB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)OC)C3=O)o2)cc1 408547905 AQXOUDPNHNETPD-SFQUDFHCSA-N 426.425 2.969 0 40 IFAB Cc1cccc(NC(=O)CN2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)c1C 575414225 ZXEKMKSWIDLXLU-UHFFFAOYSA-N 428.558 2.908 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 2663169 XEPIKMBSNVINOR-UHFFFAOYSA-N 440.525 2.705 0 40 IFAB Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCCC1 2700578 JOCBTIIRYRXEJN-UHFFFAOYSA-N 431.533 2.881 0 40 IFAB O=c1nc2s/c(=C\C3=Cc4ccccc4OC3)c(=O)n2nc1Cc1ccc(Cl)cc1 2704436 YGSVEOUMZVCTMT-ODLFYWEKSA-N 435.892 2.731 0 40 IFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 3493258 CRZOHRJYTJDMKZ-UHFFFAOYSA-N 430.921 2.883 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCOc1ccccc1)c1c(C)cccc12 8843751 WWLGUTRLXGRADC-JOCHJYFZSA-N 438.509 2.576 0 40 IFAB Cc1csc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)n1 9305198 QTOFTSOPVWIULG-UHFFFAOYSA-N 436.950 2.894 0 40 IFAB CCOC(=O)c1cc(-c2ccccn2)nc2c1c(=O)n(CC)c(=O)n2Cc1ccccc1 9439961 VFBABYCHGCTCCJ-UHFFFAOYSA-N 430.464 2.865 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC2 9546941 FYURLBHHPMTJCU-UHFFFAOYSA-N 430.526 2.687 0 40 IFAB COc1ccc(NC(=O)c2cccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)c(OC)c1 9860287 VKCGUNGZMOQCOU-AEFFLSMTSA-N 447.538 2.636 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C 9955316 QRKHBFAMMHEZTB-SZMVWBNQSA-N 449.573 2.528 0 40 IFAB CCCCNC(=O)CSC(Nc1ccc(C)c(C)c1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974381 VSQBAPJLGSWYMI-UHFFFAOYSA-N 432.546 2.627 0 40 IFAB COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)F 10440959 GNVFGXNGVFFJGQ-UHFFFAOYSA-N 448.875 2.887 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)S[C@@H](C)C3)cc1 11726683 YPAKBYBSPKASDV-XJKSGUPXSA-N 447.582 2.665 0 40 IFAB Cc1cccc(OCC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)c1 11914028 PKTGMFPTJYAECH-AWEZNQCLSA-N 442.331 2.945 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)n4ncc5ccccc5c4=O)C3)cc2n1 12134628 IZIXTYHINHHUOD-DOTOQJQBSA-N 446.511 2.674 0 40 IFAB NC(=O)NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 12136705 DMEPHMVTDXVCHQ-UHFFFAOYSA-N 442.467 2.559 0 40 IFAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12480771 JMGMPYKPDRIXKE-STQMWFEESA-N 438.311 2.732 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)cc1F 12866486 DSHUQXVVZTZZNO-UHFFFAOYSA-N 436.487 2.647 0 40 IFAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1cccc(C(=O)NC2CC2)c1 12881186 DWLSJYRWJOMJKX-UHFFFAOYSA-N 442.269 2.509 0 40 IFAB COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)N1CCCC1 12980890 RRXSGJZJHHLKIZ-LJQANCHMSA-N 449.548 2.652 0 40 IFAB CCOC(=O)c1sc2nc(C)n(C[C@@H](O)COCc3ccccc3F)c(=O)c2c1C 13006015 VDNQBOTZMZZKDR-OAHLLOKOSA-N 434.489 2.968 0 40 IFAB CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cs1 13041091 JWBUNIPUTGVUDR-UHFFFAOYSA-N 449.385 2.915 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c1 13149474 DWPVJVGNOGQILC-UHFFFAOYSA-N 446.554 2.838 0 40 IFAB CCOc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)c(=O)n2C 13364503 GJHORBFWWOHJMB-UHFFFAOYSA-N 436.512 2.879 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)cc1 13944112 OMVDLESNGASDBL-GOSISDBHSA-N 435.590 2.863 0 40 IFAB COc1cc(C[C@@H]2CC(CNCc3ccc4c(c3)OCO4)=NO2)c(OC)c2c1OCO2 15085880 ZAFCEKSELPGFSL-MRXNPFEDSA-N 428.441 2.638 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2nc(O)cc(-c3cccnc3)n2)C1 19134419 JRVMMBRSXXXRMR-MRXNPFEDSA-N 426.498 2.739 0 40 IFAB Cc1ncc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c(C)n1 19552542 XQPLUMLFLARVAQ-OAQYLSRUSA-N 426.480 2.953 0 40 IFAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1 19552840 WKUDWDYUKWHTJC-UHFFFAOYSA-N 445.495 2.632 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(CCc3ccccc3)CCO2)n1 19694896 GBUNXSNTOZYCAD-QFIPXVFZSA-N 431.540 2.925 0 40 IFAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)c1sc(C)nc1C)CC2 19710382 BYFBVYGVHZBZQF-QGZVFWFLSA-N 428.562 2.864 0 40 IFAB CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(CC(=O)Nc2cc(C)on2)C1 19739064 GBFSKQXDJKAJBP-JOCHJYFZSA-N 429.521 2.638 0 40 IFAB CCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O 19824735 SJTYKKQYHAIHJJ-UHFFFAOYSA-N 446.617 2.736 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(N(C)C)cc2)cc1OC 20725411 QOHDAFRJOBKOOV-UHFFFAOYSA-N 434.496 2.778 0 40 IFAB Cc1[nH]c(C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1C(=O)OC(C)C 22307352 WBRQPBRLIZRISB-UHFFFAOYSA-N 429.473 2.694 0 40 IFAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 22617834 XDJNMVLNBCYPPP-UHFFFAOYSA-N 428.869 2.666 0 40 IFAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(CC(=O)N2CCCCC2)CC1 22934886 DGLOQIHTIHSSIJ-OAHLLOKOSA-N 427.376 2.951 0 40 IFAB O=C(NCc1nc2ccccc2s1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 24925203 DDUCEXXNEKDAEI-OAHLLOKOSA-N 431.539 2.684 0 40 IFAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 24985566 RMSJMHFEHJYAIL-BLLLJJGKSA-N 446.447 2.796 0 40 IFAB CC(=O)N[C@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)c1ccccc1 27285054 SGFJJTWBCXCULW-SIKLNZKXSA-N 448.523 2.698 0 40 IFAB Cc1cc(NC(=O)[C@H](NCCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)no1 28622522 UKWUMNASWUHINJ-GOSISDBHSA-N 425.489 2.507 0 40 IFAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 32796082 AKOLZXOPPKVLCY-HNNXBMFYSA-N 448.354 2.984 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)c(C)c1 34887473 YOJITNJGQJKTHU-HXUWFJFHSA-N 429.586 2.796 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38855658 WDFONURMDMOLRD-MGPUTAFESA-N 445.541 2.689 0 40 IFAB O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 40104326 XWTHAFBTLQSFRN-UHFFFAOYSA-N 437.905 2.650 0 40 IFAB CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2n2cc(C(=O)OC)nn2)cc1OC 40152708 ALAPHQASDQISHO-MORCLJERSA-N 428.489 2.785 0 40 IFAB CCn1c(SCC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)nc2ccccc21 58162094 XDNWAACDQUOFEE-INIZCTEOSA-N 436.628 2.625 0 40 IFAB Cc1c(NC(=O)[C@H](C)Cn2nc(-c3ccco3)ccc2=O)c(=O)n(-c2ccccc2)n1C 61984055 BDGGQFVJUWNLSO-OAHLLOKOSA-N 433.468 2.576 0 40 IFAB O=c1c2cnc(N3CC=C(c4ccccc4)CC3)nc2nc(O)n1-c1ccc2c(c1)OCO2 67262762 NSYQTKLELUNEFJ-UHFFFAOYSA-N 441.447 2.904 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1 67322779 VGNNVPLGVBFQEY-UHFFFAOYSA-N 429.383 2.542 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12C(=O)Nc1ccc(C)cc12 85425669 HDMOEFCHVLJEEY-XMMPIXPASA-N 430.464 2.853 0 40 IFAB O[C@H](CN1CCOCC1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 95116617 DHIAETWWQGSZTF-GOSISDBHSA-N 444.333 2.626 0 40 IFAB COc1ccc([C@H]2[C@H](C(=O)NCCc3cnc[nH]3)c3ccccc3C(=O)N2C)cc1OC 95478924 NYPGTDDIHZHTMF-YADHBBJMSA-N 434.496 2.696 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121518 XESHHQHLJLCAJT-UHFFFAOYSA-N 446.554 2.651 0 40 IFAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)cc1 96121912 QIJUCNDJRPKALB-UHFFFAOYSA-N 435.445 2.561 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1N1CCCC1=O 113949923 MBKMIXZJOLNNIW-UHFFFAOYSA-N 428.558 2.674 0 40 IFAB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cccc1N(C)S(C)(=O)=O 222435640 RVUOAYAIMHXZRO-MRXNPFEDSA-N 445.541 2.552 0 40 IFAB COc1ccccc1N(CCCC(=O)NCCSCc1ccco1)S(C)(=O)=O 222580072 PMDYQHOCULXJJI-UHFFFAOYSA-N 426.560 2.884 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@H]3CN(S(=O)(=O)CC)c4ccccc4O3)ccc21 225100859 PICHFEGIBXRLEP-QGZVFWFLSA-N 447.538 2.639 0 40 IFAB CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(-c4ccc(C(=O)NC)nc4)cc(C)n3)C2)o1 257298087 RKBVTMCWJAKMHY-FQEVSTJZSA-N 449.511 2.884 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 257342693 ZPTILZPWKJJDBQ-VWLOTQADSA-N 435.572 2.790 0 40 IFAB O=c1c(=O)n2c(nn1Cc1cccs1)[C@@]1(CCN(Cc3ccccc3Cl)C1)CC2 306134798 NYJPJCDXBMHFRT-NRFANRHFSA-N 428.945 2.716 0 40 IFAB Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408614994 KPBYQYHJHJKYHU-FQEVSTJZSA-N 435.524 2.666 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(I)cc1 409025937 AXSZGGVJAHTVNN-UHFFFAOYSA-N 430.267 2.696 0 40 IFAB O=C1C[C@H](NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CN1CCN1CCOCC1 524567240 QBZXFTWGIMIYGO-FQEVSTJZSA-N 433.980 2.591 0 40 IFAB COc1cccc(N2CCC(O)(CN3CCC4(CC3)C[C@@H](N(C)C(C)=O)CCO4)CC2)c1 585262829 KMNUVPBYMQQSPG-QFIPXVFZSA-N 445.604 2.518 0 40 IFAB O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 590961521 ARGJMXRCHGUPON-UHFFFAOYSA-N 447.428 2.659 0 40 IFAB O=C(NCc1cccnc1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772596007 YNIFWJAUWVNXPR-GIWBLDEGSA-N 425.504 2.945 0 40 IFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 802573 TYCPVSDREMVEHV-OAQYLSRUSA-N 439.468 2.904 0 40 IFAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(NC(=O)c2ccccc2F)C1=S 1073435 SZJWXKFYJBGXHX-MRXNPFEDSA-N 448.907 2.970 0 40 IFAB COc1c2c(cc3c1[C@@H](c1c(O)n(-c4ccccc4)c(S)nc1=O)N(C)CC3)OCO2 1322285 XPLWETOKXLDOMT-KRWDZBQOSA-N 439.493 2.541 0 40 IFAB biogenic CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CC)ccc3OCC)nc12 2273695 WTOLCZSAGBICPA-UHFFFAOYSA-N 447.561 2.705 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3433246 UVCCSEJCBMXWSH-UHFFFAOYSA-N 449.598 2.701 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1 3445027 OCJBJBGSLIFENN-UHFFFAOYSA-N 426.897 2.563 0 40 IFAB CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 4897649 PVBNCDMEHLEILV-OAQYLSRUSA-N 426.492 2.686 0 40 IFAB Nn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccc(Cl)c1 8719135 UTXCFWYSJISEOE-UHFFFAOYSA-N 428.949 2.753 0 40 IFAB CCCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1F 9120081 HMFPZLBZQWFDSV-UHFFFAOYSA-N 436.434 2.780 0 40 IFAB COC[C@H](C)n1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O 9507897 PMDUMVKNXLSGCA-AWEZNQCLSA-N 438.509 2.681 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 9508626 ZRFQEAXTVLJIEB-OAHLLOKOSA-N 431.466 2.735 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCCSCc3cccs3)n2N)cc1 9589353 LHHWCZIMVJCYDJ-UHFFFAOYSA-N 435.600 2.871 0 40 IFAB Cc1cccc(CN2N=C(c3ccc(Cl)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 9707487 PATYRXICSMPPPR-UHFFFAOYSA-N 448.914 2.820 0 40 IFAB Cc1ccc(COc2ccccc2-n2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 10102914 CDDQRHUHECDLCH-UHFFFAOYSA-N 429.480 2.871 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 10187799 BGWQYILRNDUVHN-UHFFFAOYSA-N 438.411 2.861 0 40 IFAB COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4ccc(F)cc4)cnc32)cc1 12071792 JYZKCBUINRMWKZ-UHFFFAOYSA-N 449.486 2.538 0 40 IFAB CCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2cccc3ccccc23)n(C)c1=O 12231809 HUXOKGGJBGICPE-UHFFFAOYSA-N 428.496 2.921 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3cc4ccccc4o3)CC2)c1 12445103 MKULXLNDFIFOBP-UHFFFAOYSA-N 427.526 2.623 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc3ncccc13)n2C 12603438 VASRIFKSZHUPBQ-UHFFFAOYSA-N 437.525 2.943 0 40 IFAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12878419 HFQGEDUBUNUDLP-ZIAGYGMSSA-N 428.842 2.785 0 40 IFAB O=C1COc2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2N1 12994429 LYTNBFRBAGQPML-UHFFFAOYSA-N 435.889 2.708 0 40 IFAB NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 13566066 NWZTXVVPPLPYSH-UHFFFAOYSA-N 437.521 2.978 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1C 13672596 HJYXYQACRYYJEW-UHFFFAOYSA-N 434.514 2.893 0 40 IFAB O=C(COc1ccc2c(c1)OCO2)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 13801580 AKRPTKFHPQTZQW-UHFFFAOYSA-N 441.871 2.878 0 40 IFAB O=C(C1CCOCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19014854 MNKZMZZUUXULJS-OAQYLSRUSA-N 428.577 2.941 0 40 IFAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@H](C)O1 19497294 AWGVHXXLUBKROU-HOTGVXAUSA-N 428.508 2.747 0 40 IFAB COc1cc(C)c(CN2CCN(S(=O)(=O)c3c[nH]nc3-c3ccncc3)CC2)cc1C 19567364 YXXZMCYZIGQLJY-UHFFFAOYSA-N 441.557 2.604 0 40 IFAB CNC(=O)c1[nH]c(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc1-c1ccc(OC)cc1 19697039 QMHWDJVMFIPBAR-SFHVURJKSA-N 426.517 2.720 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1 20245196 RMVFMFPGTBATED-UHFFFAOYSA-N 433.549 2.920 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccccc3)s2)cc1OC 20486671 CXYTVCXDQYRBBA-UHFFFAOYSA-N 434.499 2.633 0 40 IFAB COCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 22276789 RXMSLKYOHKMPJG-UHFFFAOYSA-N 430.448 2.972 0 40 IFAB CCCCn1c(N2CCN(Cc3cccc4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C 22421631 JKWOOCVTKJAOFM-UHFFFAOYSA-N 446.555 2.699 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1S(C)(=O)=O 23689454 BEMRQWYMYKYSOO-UHFFFAOYSA-N 425.304 2.530 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1OC(F)F 24511949 CWEPGGOYVYDCMP-UHFFFAOYSA-N 425.457 2.540 0 40 IFAB CCOC(=O)c1sc(NC(=O)N2CCN(c3ncccn3)CC2)c(C(=O)OCC)c1C 24563046 VZNCEYNRAOCYAA-UHFFFAOYSA-N 447.517 2.554 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1c(Cl)cccc1Cl 24985639 DMDPKWGVWFHMSZ-MEBBXXQBSA-N 433.313 2.694 0 40 IFAB COc1cc(OC)cc([C@H](NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 25160649 DYCCXPYWSFRCPW-VLIAUNLRSA-N 436.468 2.812 0 40 IFAB Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 27915329 MYMXNBFRIXKQCJ-UHFFFAOYSA-N 430.526 2.974 0 40 IFAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 32787125 JVVQYCHAVNYPNJ-INIZCTEOSA-N 439.559 2.970 0 40 IFAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc4c(c3)OCCO4)c2nn1C 36621487 YMRUEBCUCPECGQ-UHFFFAOYSA-N 436.390 2.862 0 40 IFAB COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2C(F)(F)F)nn1 36694623 CILCLQAXFILJCB-SECBINFHSA-N 448.361 2.661 0 40 IFAB CC(C)Oc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)cc1 38486654 CQBZWZVZIMTSMZ-UHFFFAOYSA-N 443.467 2.922 0 40 IFAB Cc1c(F)cc(C(N)=O)cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 40117595 RGFHGZUNSRUVAM-UHFFFAOYSA-N 428.489 2.912 0 40 IFAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 48324326 LHHUMXBMFCJDQG-MRXNPFEDSA-N 433.516 2.815 0 40 IFAB COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccccc3)co2)CC1 56949801 MWEFGIPKESJPKD-UHFFFAOYSA-N 449.507 2.988 0 40 IFAB C[C@H]1CCCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)C1 67226260 VSCTXDPTQWRAAG-INIZCTEOSA-N 425.558 2.838 0 40 IFAB O=C(C[C@H](CN1CCN(CCc2ccccn2)CC1)C(=O)O)Nc1ccc(Cl)cc1 71288958 OUIOOMABGLYODS-QGZVFWFLSA-N 430.936 2.625 0 40 IFAB COc1ccc(Br)cc1CC(=O)NS(=O)(=O)c1ccc(C(C)=O)cc1 72305057 ASPVFFXCIIPCPL-UHFFFAOYSA-N 426.288 2.708 0 40 IFAB COC(=O)CC1(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN(C)CC1 72313984 JBHKFQZLXRWDEZ-UHFFFAOYSA-N 428.860 2.665 0 40 IFAB CC(C)c1n[nH]c(CC(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)n1 72371782 MIKRMIOPNJXXKQ-OAHLLOKOSA-N 426.496 2.970 0 40 IFAB O=C(C1CCOCC1)N1CCc2nc(C3CCN(CC4CCCCC4)CC3)[nH]c(=O)c2C1 72398740 MKXCLIDXLJFQST-UHFFFAOYSA-N 442.604 2.841 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccccn1)CC2 96036923 XBUGOERTGBFZBZ-UHFFFAOYSA-N 437.569 2.712 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)c1 220186098 OAASVIVXVISJAM-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB COc1cccc(CCCNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 222583957 SGEWXQDZZQOGQM-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222980764 SLYNENHWMGYBNN-UHFFFAOYSA-N 448.932 2.810 0 40 IFAB COC(=O)c1c(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)sc2c1CCCC2 224512494 BZEGGUBMSPXJTP-UHFFFAOYSA-N 444.560 2.660 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CNC(=S)Nc2ccc(Br)cn2)cc1 225224267 JKLQVSLTTASLBT-UHFFFAOYSA-N 429.365 2.581 0 40 IFAB CC(C)Oc1ccc(CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225246750 UNAGKMHESVAESI-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)s2)cc1 225575411 GLIUNZWHKZRXDD-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@](C(N)=O)(c3ccccn3)C2)cc1NCc1cccnc1 257237969 HJAZGWJOTFSEFV-VWLOTQADSA-N 445.523 2.757 0 40 IFAB COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C1=O 408548143 DMOCTLSSVIYMFD-YBFXNURJSA-N 446.463 2.654 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)N2CCC([C@](C)(O)C(F)(F)F)CC2)cc1OC 546639461 IXSSMJTVHNHNFB-VLIAUNLRSA-N 432.483 2.776 0 40 IFAB O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 646030253 QQLDTEQBBILWDT-UHFFFAOYSA-N 440.456 2.726 0 40 IFAB COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-n2ncc(C(=O)O)c2C)cc1 675964293 QRMUWXWTKXBMHH-UHFFFAOYSA-N 437.452 2.896 0 40 IFAB C=CC(=O)N1CCC(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)(c2ccccc2)CC1 1627939567 ZWNXVSUQARLRGW-LJQANCHMSA-N 425.573 2.873 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2)cc1OC 802808 WLCYWUPJJKVMTO-UHFFFAOYSA-N 441.509 2.611 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1N 2438386 WOUJZYAVARISKT-UHFFFAOYSA-N 426.502 2.665 0 40 IFAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCCCN1CCCC1=O 2781487 WRVARMDKRMCVBR-JTQLQIEISA-N 425.249 2.663 0 40 IFAB CC(=O)OCCCNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1 2950322 HGWLFSLJKYNSIB-VBKFSLOCSA-N 435.274 2.882 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)S1 6116638 UUOPTRIAEYJCAT-FQEVSTJZSA-N 446.554 2.971 0 40 IFAB Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1cccc(Cl)c1 8706548 NVUIMRWEYUCBKO-UHFFFAOYSA-N 440.935 2.586 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 8772356 WWIVNMYYXVGIMV-CPJLOUKISA-N 433.508 2.972 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 8887281 MQEVDKHHXFBVLY-RUZDIDTESA-N 444.491 2.947 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 8940028 JLVRPPDFDPHHFA-CJFMBICVSA-N 449.507 2.761 0 40 IFAB COc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1ccccn1 8995142 KDOJYFRWFRUDQI-UHFFFAOYSA-N 436.468 2.752 0 40 IFAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n2)c1 9130019 BFXOEJCIUFQSRV-UHFFFAOYSA-N 440.506 2.806 0 40 IFAB CCCCn1c(SCC(=O)c2ccc(O)cc2O)nc2cc(S(N)(=O)=O)ccc21 9520035 NNKLAKGMCZHDNB-UHFFFAOYSA-N 435.527 2.870 0 40 IFAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9740572 VGFVXDMNVHDKEE-UHFFFAOYSA-N 443.525 2.615 0 40 IFAB O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 10188260 YPBLWLLGAQGJAC-UHFFFAOYSA-N 430.921 2.614 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2Cl)n2nnnc2N1 10232163 PHTAJZBGXUAOPG-INIZCTEOSA-N 440.803 2.560 0 40 IFAB O=C(CNc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 11124685 LWHZLVAWXTVETG-UHFFFAOYSA-N 433.961 2.774 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@@H]1CCCN(C(=O)c2ccccc2F)C1 12232397 PMVFMGUOCKAYGK-OAHLLOKOSA-N 432.521 2.639 0 40 IFAB COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 12378040 CVQRHMLKWFJPEG-NBTFGWEVSA-N 448.544 2.982 0 40 IFAB COc1ccc(C(=O)COC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)cc1 12872836 DALVWSUFBWTPRE-LJQANCHMSA-N 431.510 2.738 0 40 IFAB C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)COc2cccc(Br)c2)C1=O 12874996 HBDNFYDUHOMSDI-HNAYVOBHSA-N 437.265 2.795 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 12910909 HTPHNTSNBWBQEB-KRWDZBQOSA-N 436.555 2.560 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1C 12917545 PJUZRHAWPHGQHB-UHFFFAOYSA-N 447.557 2.572 0 40 IFAB COCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 14094986 NOAFFFTVBTZHKR-HXUWFJFHSA-N 442.541 2.847 0 40 IFAB Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)c5ccco5)C4)nc32)c1 15907297 VVIUTJBSGQZZCZ-MRXNPFEDSA-N 432.484 2.793 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)cc1 17588295 BXPUBAJBJDCSIN-GOSISDBHSA-N 436.917 2.815 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1OC 18530697 FJFFCEHGJNWNMC-AWEZNQCLSA-N 427.432 2.890 0 40 IFAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 22808281 WJONOXFQDAXGLI-FYYLOGMGSA-N 441.597 2.788 0 40 IFAB Fc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 22929039 GYHPIIOOROCYOB-REWPJTCUSA-N 436.535 2.898 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)Cn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)cc1 23125494 WFUHTZQFHFLCIS-UHFFFAOYSA-N 443.507 2.738 0 40 IFAB Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N(C)c2ccc3c(c2)OCCO3)n1 23126944 OUUGIZQHRRESJA-UHFFFAOYSA-N 433.511 2.846 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3n2)c1 27976744 OBCFNYOVEKDMJF-CQSZACIVSA-N 426.494 2.836 0 40 IFAB CCOc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773790 ZQGISIGBSODVRO-LEWJYISDSA-N 448.972 2.796 0 40 IFAB COc1ccc(-c2nc(CC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cs2)cc1OC 32722581 QKWPWYBAPMJGGH-SFHVURJKSA-N 437.521 2.809 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccc(Cl)cc2)Oc2ccccc21 38848565 KXUJHNVRTYODOZ-SFHVURJKSA-N 440.974 2.917 0 40 IFAB CC(C)(C)OC(=O)N1[C@H](CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)COC1(C)C 40157830 RKVIBYRGJTUSHT-STQMWFEESA-N 447.579 2.511 0 40 IFAB COc1ccc(C(=O)Nn2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1 40391535 TYBGFUCONBBBEU-UHFFFAOYSA-N 430.399 2.638 0 40 IFAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 43941761 LMSCWBMUMVBKRW-UHFFFAOYSA-N 447.894 2.851 0 40 IFAB COc1cccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(C)(=O)=O)c1 44873765 JMXZMDWPDJAEPC-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 44889739 GPWCUQMLQSTZFY-UHFFFAOYSA-N 432.524 2.700 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)O)c(NCc3ccccc3)n2)cc1 49469910 DADXDRKVEVUDNB-UHFFFAOYSA-N 426.498 2.916 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(-n4cncn4)nc3)cc2F)C[C@@H](C)O1 57853902 AFUUPIKGAVBBNT-GASCZTMLSA-N 425.468 2.737 0 40 IFAB COc1cccc(NC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)c1OC 77146609 DGDCBPAYZJNCCA-UHFFFAOYSA-N 437.500 3.000 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3)C2)c1 89274564 BDXYIVLMINMRBP-LJQANCHMSA-N 437.543 2.568 0 40 IFAB O=C(OC[C@H]1CN(Cc2ccccc2)C[C@@H]1COC(=O)C1CCOCC1)C1CCOCC1 89834854 YVRXWIBPAUYXMU-DHIUTWEWSA-N 445.556 2.674 0 40 IFAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 89919284 WNSCZWSGMRWXFJ-OXJNMPFZSA-N 442.965 2.976 0 40 IFAB O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105276 JBNSHQZYZHHHQQ-LBPRGKRZSA-N 446.284 2.814 0 40 IFAB COCCOc1ccc([C@H](C)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC 97165378 MVDWKEZHKFBTAX-KRWDZBQOSA-N 442.512 2.968 0 40 IFAB CCCCCc1c(O)nc(SCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1O 103060323 ZCWPVYQMEIXSKN-HUUCEWRRSA-N 444.557 2.520 0 40 IFAB COc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC 219228444 PBUREVOVEZPQEP-UHFFFAOYSA-N 448.541 2.750 0 40 IFAB COc1cccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)c1 224372910 CBLGDNLATWYRFC-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB CCCSc1nnc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)s1 224404448 DPDHFWFGGSYTFQ-NSHDSACASA-N 430.577 2.842 0 40 IFAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225714919 CEBBDCXXFGVIHC-HBMCJLEFSA-N 439.556 2.660 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225731414 JYOLSKSAJGIIDM-HNNXBMFYSA-N 443.447 2.644 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1F 225734935 OMKVOMXFPFJRBK-UHFFFAOYSA-N 448.442 2.853 0 40 IFAB COc1ccc(CCNC(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1 225742890 ZJBMEWVDMYYBIL-UHFFFAOYSA-N 434.544 2.691 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 247748622 RESSSVYMVVHWDL-MHORFTMASA-N 427.382 2.706 0 40 IFAB CC[C@H](C)CC[C@H](O)CC(=O)O[C@@H](CCCCC(C)C)CC(=O)N[C@H](CO)C(=O)O 252515565 LQIHCTVXRQRKEH-CADBVGFASA-N 431.570 2.644 0 40 IFAB biogenic,in-vitro COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1 408561176 RDWDQOWUBPIEQJ-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 408593675 NCLKUOGNXOEYES-HNNXBMFYSA-N 434.514 2.814 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 409144546 OJEZSDTXIOSXJO-OAHLLOKOSA-N 433.530 2.628 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)NCc3nnc4n3C[C@H](C(F)(F)F)CC4)cc2)co1 575616223 IZMTWTUWSSYMDO-CYBMUJFWSA-N 441.435 2.845 0 40 IFAB Cc1cccc(N2CCC(O)(CNC[C@@]3(O)CCN(c4ccnc5cccnc45)C3)CC2)c1 585284677 UYROTJABAZGJED-SANMLTNESA-N 447.583 2.501 0 40 IFAB CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)COC 643584191 IHGHZZJZMOGMHV-QFIPXVFZSA-N 444.620 2.934 0 40 IFAB C[C@@]1(c2cccc(CNC(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)c2)NC(=O)NC1=O 1563887759 SYPIFAYZOLTECY-AVRDEDQJSA-N 442.903 2.678 0 40 IFAB O=C1COc2ccccc2CC=CC[C@@]2(CCCN(C(=O)CCn3ccccc3=O)C2)CN1 2037819041 VTXMQBONEWRIAU-AREMUKBSSA-N 449.551 2.545 0 40 IFAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3C(=O)OC)n2)cc1OCC 932015 UCLKIVQPLYWYAT-UHFFFAOYSA-N 425.445 2.563 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 2723460 KARBKLYQCVTGCD-UHFFFAOYSA-N 428.470 2.782 0 40 IFAB CC(C)CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 3431528 WBNGLGGGGFVJLX-INIZCTEOSA-N 430.526 2.756 0 40 IFAB CC(C)(CC(=O)O)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4)cc3C(=O)N2C1 8297068 FNCJZTKXSIOCKN-PXNSSMCTSA-N 449.507 2.896 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1OC 8764517 VEPLTCGQKNHVBS-AWEZNQCLSA-N 443.500 2.816 0 40 IFAB biogenic O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 8849380 JSLRBFPINDOGKY-SFHVURJKSA-N 427.526 2.598 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)c2N)c1 9226939 JMIKFLYXXDFGGV-UHFFFAOYSA-N 438.488 2.694 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9255867 VDOJNRNSJBJPLJ-OAHLLOKOSA-N 434.543 2.933 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)CC1 9442439 ADOGHXOOKIJBCN-UHFFFAOYSA-N 446.573 2.835 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCCC2)c(OC)c1 9622084 AANDNEMXDHGUFL-UHFFFAOYSA-N 429.517 2.889 0 40 IFAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@@H]1c1cccs1 9665356 GJOLZHRPGPDNFT-PKOBYXMFSA-N 433.599 2.807 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 9806276 CBKPCFROIDXHCH-IBGZPJMESA-N 429.542 2.520 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 9835805 VBCCOOXRTMXSFS-QZTJIDSGSA-N 427.848 2.671 0 40 IFAB CN(C(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1)C(c1ccccc1)c1ccccc1 9980783 MUBYQNPVZPSVMP-QHCPKHFHSA-N 435.568 2.805 0 40 IFAB CCOc1ccc(OCCCC(=O)OCc2nnc3n(C)c(=O)c4ccccc4n23)cc1 9982333 RQODWNFUWZRDBD-UHFFFAOYSA-N 436.468 2.882 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cccc(OC)c2)n2nnnc2N1 10231923 QJQIRASKFIVLHA-QGZVFWFLSA-N 425.832 2.660 0 40 IFAB CSc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 10895171 KLBMQHIPEKUFLH-QGZVFWFLSA-N 434.539 2.972 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3ccc(C(N)=O)cc3F)C1)O2 12237161 ZRJLDRAWISIYGX-SPLOXXLWSA-N 426.444 2.819 0 40 IFAB COc1cccc2cc(-c3ccc(OCC(=O)N4CCN(C(C)=O)CC4)cc3)c(=O)oc12 12390857 PDEBBKRUMRLKPL-UHFFFAOYSA-N 436.464 2.538 0 40 IFAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 12525804 UBJOPMQQEFHWNM-UHFFFAOYSA-N 425.315 2.750 0 40 IFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12548479 REZIFFDHVYJQLP-UHFFFAOYSA-N 425.514 2.735 0 40 IFAB COc1ccccc1CNC(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 12675678 GDJZZQSWJVLCPF-UHFFFAOYSA-N 435.509 2.834 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 12691778 ZLMNOZSBTRANAG-XOBRGWDASA-N 448.466 2.976 0 40 IFAB COC(=O)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 12777098 MIFUVYKBWHLCEO-FXAWDEMLSA-N 448.516 2.647 0 40 IFAB Cc1cccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 12821564 UDRDAUUBPBQGAN-UHFFFAOYSA-N 449.960 2.900 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 12886068 HBQUHFZMVVBXFM-OUOPCGENSA-N 436.574 2.670 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12981047 HNSCMHADQRCNNT-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1cc(OC)c(OC)c(OC)c1 13590264 IKWYEIBWZCRATN-UHFFFAOYSA-N 447.509 2.948 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1Cl 13670556 IVEGQJZCZOFLED-INIZCTEOSA-N 446.013 2.741 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)CC1 14001281 UMVRFDBVFMQMMX-UHFFFAOYSA-N 449.486 2.764 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)NC[C@@H](c3cccs3)c3c[nH]c4ccccc34)cnc21 14050829 NQHBGTXLGKFZFS-MRXNPFEDSA-N 432.509 2.621 0 40 IFAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14092661 AXAIXLMOYYZPOT-QFIPXVFZSA-N 440.887 2.873 0 40 IFAB O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 14198290 FBWWOIXTHJWKOI-HSZRJFAPSA-N 432.476 2.729 0 40 IFAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(-n2cncn2)cc1 14198968 QCLBAZPGSZQEBJ-KRWDZBQOSA-N 449.536 2.918 0 40 IFAB CCOc1ncc(C2(O)CCN(Cc3coc4ccccc4c3=O)CC2)c(OCC)n1 19531769 ZLTIKGOYXUTJDI-UHFFFAOYSA-N 425.485 2.864 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)c(C)n1 19741051 OSGPRUDEALMHTF-KRWDZBQOSA-N 446.577 2.525 0 40 IFAB O=c1oc2cc(OC[C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc2c2c1CCC2 19909135 PDWYZDJRFIDGNP-KRWDZBQOSA-N 438.499 2.983 0 40 IFAB Cc1cc(OC[C@@H](O)Cn2c(=N)n(CCN3CCOCC3)c3ccccc32)ccc1Cl 19943256 FHEPDTBKOVBZSN-SFHVURJKSA-N 444.963 2.656 0 40 IFAB COc1cccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 20244329 BIJMYEYCPOEPQE-UHFFFAOYSA-N 433.574 2.674 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2N2CCCC2)C1 22741437 YOXUAIJEBIFQJU-KRWDZBQOSA-N 432.546 2.931 0 40 IFAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)cc1 23107630 OBZUKWBATPPPST-XMMPIXPASA-N 447.535 2.654 0 40 IFAB O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1CN1CCN(CCOc2ccccc2)CC1 23258023 JBODALILMHIUFN-SANMLTNESA-N 448.567 2.814 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 25413171 AIQCLBAMLXOMSL-YOEHRIQHSA-N 448.416 2.995 0 40 IFAB O=C(CN1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1)NCc1ccccc1 37208903 UVPHMQSAFDXKJE-UHFFFAOYSA-N 434.512 2.919 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40052211 FOIMAVGVVQREIB-RTBURBONSA-N 427.501 2.734 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 59589065 CLMDDVLKPJOZKG-PKOBYXMFSA-N 434.562 2.786 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 63376217 UZTJEDVSAVRYMP-MSOLQXFVSA-N 438.908 2.502 0 40 IFAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CCc2ccccc2)cc1 67896972 RMBQHNBIVSNBIM-ZJSXRUAMSA-N 426.513 2.555 0 40 IFAB biogenic,in-vitro Cc1cc(N2C[C@@H](C(=O)N3CCC[C@@H](C4OCCO4)C3)CC2=O)ccc1Br 69232391 LYXIZWWAUXWTRB-CABCVRRESA-N 437.334 2.722 0 40 IFAB C[C@@H](O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C 89939152 KMMNOWGASBKASI-ZIAGYGMSSA-N 448.917 2.884 0 40 IFAB CC(C)n1cnc2c(N3CCOCC3)nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc21 96088293 SCIPRZLCQIMQGH-UHFFFAOYSA-N 433.578 2.520 0 40 IFAB COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCC(=O)N1CCOCC1 97987479 FNCPXTUUPFNRFK-CPNJWEJPSA-N 436.464 2.586 0 40 IFAB CC[C@@H](OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(C)cc4C)C(=O)[C@H]13)O2)C(=O)NC(C)(C)C 100442919 PYTPVJGHIUBBRS-LAMKJYLKSA-N 440.540 2.826 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 101387402 JGRXYGGBYMPHDP-ZWKOTPCHSA-N 427.848 2.671 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccc2ccccc12 222856842 NRUGYKVTIYXMGE-UHFFFAOYSA-N 440.521 2.799 0 40 IFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-n1cnnc1 223452468 UPWACDSGNYCXBX-NHCUHLMSSA-N 430.541 2.971 0 40 IFAB O=C1CN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2N1 224533926 PKJHOBQVYDGTKR-UHFFFAOYSA-N 449.901 2.591 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCc1ccc(F)cc1 225127558 QDGVXAPTWKHYCO-UHFFFAOYSA-N 434.533 2.910 0 40 IFAB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)s2)cc1 225762073 VWVGYQIESZFRRP-UHFFFAOYSA-N 430.511 2.924 0 40 IFAB COCCN1C(=O)CN(C2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)C1=O 253471214 BNDSZMBTCBKXCP-UHFFFAOYSA-N 435.524 2.798 0 40 IFAB CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NCc4cccnc4)c(C)n3n2)C1 257234262 GSVCZKFMBGLMME-LJQANCHMSA-N 434.544 2.716 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408551015 GSNFJRVJTQPMNA-GFCCVEGCSA-N 440.905 2.831 0 40 IFAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)c1 408584802 VHUUTFIFRIUGKM-UHFFFAOYSA-N 433.530 2.905 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NC1CCCCCC1 408595650 QYBOOZISWAHYAP-UHFFFAOYSA-N 430.954 2.579 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653755 FRFUZSDKUWBFMR-WIOUJZMWSA-N 430.888 2.653 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1 408980930 ULKIKQWAVDKJKP-UHFFFAOYSA-N 428.510 2.838 0 40 IFAB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccccc1F 409387469 AIFHVJKALOXGHV-UHFFFAOYSA-N 440.504 2.744 0 40 IFAB COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)nc2C)c1 409412887 ZWCPKZBWWOKIBF-QFIXIFRTSA-N 436.556 2.933 0 40 IFAB CC(C)CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cn(C)nc2c1=O 1565519235 GERVSRQFRCEUME-UHFFFAOYSA-N 443.529 2.678 0 40 IFAB COC(=O)[C@@H](CNC(=O)[C@@](C)(O)c1ccc(F)cc1)Oc1ccc(Br)cc1 1627224733 UDKAVTDUIRWPRT-APWZRJJASA-N 440.265 2.533 0 40 IFAB COc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)cc1 950374 KQACJAHNPSYPMJ-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)cc1 2719868 OJMNFYFGJBOFGJ-UHFFFAOYSA-N 430.511 2.917 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 3453840 SBPURDPTVHSRNS-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C1 5864270 KNXSSHDKRMHERT-INIZCTEOSA-N 425.485 2.592 0 40 IFAB COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 8297676 JDNQDTRQRJSFDB-TYPHKJRUSA-N 425.577 2.716 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)CSC)ccc(=O)n2C3)cc1 8300393 DVIXJCPVIRNBSM-LSDHHAIUSA-N 442.541 2.810 0 40 IFAB biogenic,in-vitro COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c(c1=O)S[C@@H](C)C2 8623125 TUGASCRYVWREDC-AWEZNQCLSA-N 431.583 2.998 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)c1 9302408 SHOAMCQMOHUNLM-UHFFFAOYSA-N 446.558 2.809 0 40 IFAB O=C(NCCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9305410 HOARONGQZUJODT-CYBMUJFWSA-N 436.584 2.512 0 40 IFAB CSc1nnc(CCCNC(=O)c2nn(C)c(=O)c3ccccc23)n1C1CCCC1 9366243 DPXPMVNGMMZGDA-UHFFFAOYSA-N 426.546 2.725 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccccc1F 9507811 FOBGFQMBUJMQBX-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB NC(=O)NC(=O)[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 9634076 GIRCPUDLKVAVAY-CYBMUJFWSA-N 438.391 2.589 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 9642349 IZVVOBZHUSNWKG-UHFFFAOYSA-N 442.541 2.992 0 40 IFAB NC(=O)c1nc(-c2ccc(Cl)cc2Cl)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 9739506 QVIDSZGDSNGSIR-UHFFFAOYSA-N 444.234 2.910 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 9766396 ASISBFKKBDFAGM-CQSZACIVSA-N 447.919 2.868 0 40 IFAB COc1cc(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)ccc1C 10237643 HFENKEYSLQBGKC-UHFFFAOYSA-N 425.529 2.858 0 40 IFAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C 10272347 SIWFYKXCCNDKJG-UHFFFAOYSA-N 431.496 2.608 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)c(C)c1 10446802 ZQCYELQCUDCYQV-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 11906217 VYHGJIBACDPNQU-KRWDZBQOSA-N 449.536 2.759 0 40 IFAB CN(CCc1ccccn1)CC(=O)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1 12089133 RDMFAUKZQIWLIB-VQTJNVASSA-N 425.533 2.956 0 40 IFAB O=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12139913 VSWOTIJDRMNRPR-UHFFFAOYSA-N 447.412 2.812 0 40 IFAB Cc1nn(-c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2CC(C)C)c(C)c1C 12232037 RVORRBKFOOJKFR-UHFFFAOYSA-N 438.507 2.851 0 40 IFAB COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)on1 12760843 KYOYZXWMJHFIAH-UHFFFAOYSA-N 431.489 2.996 0 40 IFAB Cn1nc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12907130 FEMUHSDNMATLGZ-AWEZNQCLSA-N 429.546 2.517 0 40 IFAB CCOC(=O)C1=C(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)NC(=O)N[C@H]1C 13039740 LXPACDAVPOEDLK-LBPRGKRZSA-N 444.561 2.567 0 40 IFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2c(c1)CCC2 13129441 NVBWOKZIZQXKSC-UHFFFAOYSA-N 448.566 2.819 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 13566852 PNLCLJANLRAYEQ-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1)C(=O)O 13577056 WZPOGRXDAQHQKR-UAOJZALGSA-N 435.480 2.809 0 40 IFAB O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2[nH]1 14254207 UMJRBHYZSCDZJR-UHFFFAOYSA-N 448.548 2.952 0 40 IFAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1 16050599 PEDMBAMWCIQIKL-UHFFFAOYSA-N 441.303 2.925 0 40 IFAB CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12 16838097 ICDGYXFTUNQZPA-UHFFFAOYSA-N 444.495 2.737 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2c(C)noc2C)C1 19696089 CDWAWAIILJHQPL-HNNXBMFYSA-N 442.541 2.836 0 40 IFAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)c1cccc(-n2cccn2)c1 19697184 VMPJJWKXMZBGTQ-UHFFFAOYSA-N 426.480 2.661 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccccc1 19742036 SGFXHGCVZNLSID-HXUWFJFHSA-N 430.512 2.825 0 40 IFAB CNC(=O)c1cnc([C@@H]2CCN(C(=O)c3cccc(OCc4c(C)noc4C)c3)C2)nc1C 19757524 VGEAKIHRJUOUFK-GOSISDBHSA-N 449.511 2.958 0 40 IFAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1ccc(OC)cc1 20048167 BWAXBNWFGWOYAC-NRFANRHFSA-N 432.542 2.906 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20461066 ZEBXWNSDWNQZIG-UHFFFAOYSA-N 442.877 2.768 0 40 IFAB CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)N(C)C2)cc1 20464376 RCBDXAJQJUGFRV-WMZOPIPTSA-N 435.484 2.707 0 40 IFAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)CN1CCN(C/C=C/c3ccccc3)CC1)CC2 20548333 YIBTXXOJINWRHU-RMKNXTFCSA-N 435.568 2.920 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 20557904 HVOPZDLMLSYOCR-JOCHJYFZSA-N 444.551 2.947 0 40 IFAB CCN1CCN(C(=O)CCCSc2ccc(NC(=O)c3ccc(F)cc3)nn2)CC1 21149114 XKOHLSAMCQITAC-UHFFFAOYSA-N 431.537 2.904 0 40 IFAB O=C(c1ccco1)N1CCN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22609619 RWBFARQWTAZUAP-MRXNPFEDSA-N 427.461 2.776 0 40 IFAB COc1cc(C(=O)NC(=S)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 25326032 KUKHSUUTYRDRDY-UHFFFAOYSA-N 429.542 2.545 0 40 IFAB CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OCC 28420578 DGGUBFFSESVDDX-MRXNPFEDSA-N 443.500 2.523 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 30939127 SIVIEVNSQWVKPD-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc2c(cc1Cl)OCO2 32496434 JKOCUCDSUQGFBF-UHFFFAOYSA-N 425.846 2.642 0 40 IFAB CCOC(=O)Cn1/c(=N\C(=O)c2cc(C)oc2C)sc2cc(S(C)(=O)=O)ccc21 38931836 JESJBSDRAVUEGW-FMQUCBEESA-N 436.511 2.620 0 40 IFAB Cc1ccc(C(=O)N[C@@H](c2nnc(-c3cc4ccccc4oc3=O)o2)P(=O)(O)O)cc1 41154233 YEZMYJZJKMGSGW-LJQANCHMSA-N 441.336 2.758 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC 44899750 CTRWXWIFOILSHK-UHFFFAOYSA-N 448.541 2.769 0 40 IFAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 48301944 HYIZJSSTUBJCKL-UHFFFAOYSA-N 428.986 2.955 0 40 IFAB COC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)cc1 58003458 IDJKEUAVNIQERZ-UHFFFAOYSA-N 445.440 2.669 0 40 IFAB COc1ccc(-c2cc3ncnc(N4CCN([C@H]5CCS(=O)(=O)C5)CC4)c3s2)cc1 58160791 RDMUGHYLNVNCFW-INIZCTEOSA-N 444.582 2.676 0 40 IFAB CON(C)C(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 58172396 WUMNTZGMBKZQFW-UHFFFAOYSA-N 443.481 2.644 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1 67323212 CVWTYSGMZDKSKB-UHFFFAOYSA-N 443.410 2.932 0 40 IFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(Oc5ncccn5)c4)C[C@H]32)c(OC)n1 72392635 PRXUASPVQXPOIC-WPSZSDGUSA-N 449.511 2.806 0 40 IFAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@H](c3nnc(C(F)(F)F)o3)C1)CS2 77197839 IZLUYEQTABRATG-NWDGAFQWSA-N 443.451 2.705 0 40 IFAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@@H](c3nnc(C(F)(F)F)o3)C1)CS2 77197845 IZLUYEQTABRATG-NEPJUHHUSA-N 443.451 2.705 0 40 IFAB CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 79096918 QVHADFREIULRHE-ROUUACIJSA-N 433.553 2.964 0 40 IFAB O=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 85643761 CZPYJTBSIKEQIC-UHFFFAOYSA-N 425.963 2.805 0 40 IFAB O=C(CCS(=O)(=O)NC(=O)c1cnn(-c2ccccc2Cl)c1)OCc1ccccc1 89836593 VTXOWBHVRMPMOF-UHFFFAOYSA-N 447.900 2.719 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cc(S(C)(=O)=O)ccc3F)CCC2)cc1 95373473 JCEVQSCZHOEPTO-UHFFFAOYSA-N 425.503 2.873 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)/C(=C\NCCCC(=O)OC)c3ccccc3C2=O)cc1 103004540 MZWOTXBZNXPVFU-HKWRFOASSA-N 436.464 2.934 0 40 IFAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 207999722 BQAODTVBUJGQHU-HNAYVOBHSA-N 436.443 2.854 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1OC 220239109 SISBUBVLKONBRW-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3cccc4ccccc34)cc2)CC1 222880560 WSFFBEWSTAVYOF-UHFFFAOYSA-N 437.565 2.847 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 223679301 JINBQOPCUFGDLN-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 224543472 VEHMZOXTHBXJQS-LJQANCHMSA-N 433.530 2.580 0 40 IFAB CCOc1ccccc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224699708 BKQVMVHBAMQZPI-UHFFFAOYSA-N 438.521 2.966 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225474387 SEJBHNULIFBKTI-HZPDHXFCSA-N 431.549 2.890 0 40 IFAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704541 PHNYVCJKFDXIDU-HNNXBMFYSA-N 436.555 2.521 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccccc1Br 408926686 ZEMOZIMPJHCMJC-UHFFFAOYSA-N 447.376 2.858 0 40 IFAB Cc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](NC(=O)c1ccc(N3CCOCC3)cc1)C2 3955046 IHDRUIHIJWCTIY-JOCHJYFZSA-N 448.611 2.871 0 40 IFAB CC(C)(C)c1csc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)n1 6075558 JMFWKYQFHBFDQJ-UHFFFAOYSA-N 432.531 2.918 0 40 IFAB COc1ccc([C@H]2[C@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@@H]2C(=O)OC(C)C)cc1OC 8441419 OKIJXRJWFMQZJO-AWWSKVOZSA-N 436.501 2.647 0 40 IFAB CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCN2CCCCC2)CO1 8993036 MWOFKZQITCJGJH-UHFFFAOYSA-N 440.569 2.946 0 40 IFAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccc2c(c1)OCCO2 9120284 MZMSAIJZJBAHCE-UHFFFAOYSA-N 434.448 2.934 0 40 IFAB O=C(COc1ccc(Br)cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 9216460 QGIIAFMMTCVRBO-AWEZNQCLSA-N 428.304 2.637 0 40 IFAB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302579 VJKJXYMYQFOZSJ-UHFFFAOYSA-N 447.521 2.595 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 9507558 AMMYVETWCIPCQI-UHFFFAOYSA-N 448.574 2.502 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)nn2)cc1 9650544 IPRNXDQVDMQSHY-UHFFFAOYSA-N 433.511 2.665 0 40 IFAB CCOC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)CC)c2)sc2c1CCN(C)C2 9707740 OFDAKIWZTACXDA-UHFFFAOYSA-N 436.555 2.959 0 40 IFAB CCc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 9733528 AAAVLEWBDWKEDJ-UHFFFAOYSA-N 437.587 2.673 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c(OC)c1 9739185 JKDLHOGGSDMFEU-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 10186847 WKUWGARHRHEBII-UHFFFAOYSA-N 436.490 2.977 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1 10187749 GOWHNVPCQXHDIN-UHFFFAOYSA-N 438.411 2.861 0 40 IFAB C[C@@H](NC(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc(Br)cc1 10198553 AZKRJSGZFOEOFV-LLVKDONJSA-N 436.697 2.722 0 40 IFAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c(C)c1 10271836 NSRJFYBYBOCRGC-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11998734 HGBDPWMWCRJUSY-IBGZPJMESA-N 445.541 2.693 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3nc(N4CCOCC4)sc3c2)cc1 12488926 OJFHKWHVADXABW-UHFFFAOYSA-N 447.538 2.602 0 40 IFAB O=C(CSc1nnnn1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 12523029 OACLSKIHXMIFSQ-UHFFFAOYSA-N 428.949 2.816 0 40 IFAB Cc1cc(C)c2nc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)sc2c1 12553513 ZSPVFQILMXPHNM-UHFFFAOYSA-N 446.554 2.649 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O 12750716 CDBRERGJBRMPDF-CYBMUJFWSA-N 427.555 2.952 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2csc(-c3cccc(C)c3)n2)NC(=O)N[C@@H]1C 13112460 QMHNOGLZTIEAQI-CYBMUJFWSA-N 429.498 2.723 0 40 IFAB O=C(c1cnn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1)c1cc(F)ccc1O 15232310 MLCBECJKYYOQOR-UHFFFAOYSA-N 430.461 2.518 0 40 IFAB Cc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 15314939 HDEVLVMCXAZMQQ-UHFFFAOYSA-N 430.526 2.522 0 40 IFAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 15521772 UZOOITTXBNBUIO-OAQYLSRUSA-N 430.574 2.975 0 40 IFAB CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 15996612 RMUNWQPYCXCXOC-IMIIHFCZSA-N 443.503 2.735 0 40 IFAB COC(=O)Cc1c(C(=O)OC)sc2nc(CN[C@@H](C)c3ccccc3Cl)[nH]c(=O)c12 17289184 OLTNNKIZRVVGPV-JTQLQIEISA-N 449.916 2.991 0 40 IFAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)C1 19376202 YFQVSWWJJSSXKA-WOJBJXKFSA-N 429.524 2.967 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccc1F)CN(C(=O)COc1ccc(F)cc1)C2 19696307 HHNYMLIUXJALAU-IBGZPJMESA-N 440.450 2.520 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20108919 JGLSYFLJRXKFSC-UHFFFAOYSA-N 446.510 2.642 0 40 IFAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 20440784 WNNKKAXMFUTKFM-UHFFFAOYSA-N 445.589 2.741 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1N1CCCC1=O 20453028 AZVGIYUATOHKCX-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 22271698 YHGWTDFVTJQKSR-JOCHJYFZSA-N 448.585 2.906 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@H](C)O[C@H](C)C3)c2)cc1 22612346 KATQBGIUSQRNRM-HDICACEKSA-N 431.558 2.635 0 40 IFAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22784735 UKUDJBGHTLCBRZ-XXBNENTESA-N 437.565 2.897 0 40 IFAB O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCc1ccccc1Cl 22912885 HLXJSPVUCWYORP-UHFFFAOYSA-N 435.355 2.866 0 40 IFAB CCNC(=O)COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2OCC)C(C)C)cc1 23139070 AMDYEIDGSQMAKJ-QFIPXVFZSA-N 441.528 2.993 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 24613076 ACHQHGNOHXNMMH-UHFFFAOYSA-N 433.505 2.965 0 40 IFAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCC(NC(=O)c3ccc(F)cc3)CC1)C2=O 26651323 MGBTXWOJJFFUEO-HZPDHXFCSA-N 430.524 2.724 0 40 IFAB O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2F)CC1 26900675 KIATYPRIJHYIEG-SFHVURJKSA-N 443.338 2.628 0 40 IFAB COc1cc(CC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1OC 30000098 PNCZHLLDQZLJAI-OAQYLSRUSA-N 441.572 2.750 0 40 IFAB COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccccc3Cl)CC2)cc1F 32722522 XBFRIVALUNCJLM-UHFFFAOYSA-N 433.911 2.952 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 32764462 GRMSYHHWYBBLCF-AWEZNQCLSA-N 448.317 2.958 0 40 IFAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCCCc1ccccc1 35506067 PKBSOXWIKOKLAC-UHFFFAOYSA-N 430.464 2.641 0 40 IFAB Cc1ccccc1-c1nnn(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)n1 40032242 BSDSLYNCMPIONA-INIZCTEOSA-N 430.390 2.955 0 40 IFAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 40390457 GRBSWAYYMRBNTN-SJORKVTESA-N 437.500 2.806 0 40 IFAB NS(=O)(=O)c1ccc(CCNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288284 QDVJXDSEBAOTHN-UHFFFAOYSA-N 442.516 2.912 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc(OC)cc2)C1 72314589 GRQHWEBVMRUGHQ-LJQANCHMSA-N 437.543 2.568 0 40 IFAB CCCn1c(=O)n(CC(=O)c2ccc(C)cc2C)c2c(C(N)=O)nc(-c3ccco3)nc21 72396468 YUROGPXRBKXMMZ-UHFFFAOYSA-N 433.468 2.862 0 40 IFAB O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1csc(I)c1 89834868 BWAAWVZMZQJGFK-CABCVRRESA-N 442.322 2.718 0 40 IFAB CCN1C[C@@H](CN(C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 89977170 QSGVEDDHVXAIEO-VQTJNVASSA-N 428.529 2.857 0 40 IFAB CCC(CC)[C@@H](C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1)N1CCOCC1 95401837 KPLPXUXJMCIJLL-QFIPXVFZSA-N 443.548 2.606 0 40 IFAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)S(=O)(=O)c1cnn(C2CCOCC2)c1 95461937 HSGJDUTUEMVMOF-FQEVSTJZSA-N 425.526 2.754 0 40 IFAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)sc1C(C)C 95477759 UFIFZTRFSFQKBK-LLVKDONJSA-N 427.486 2.921 0 40 IFAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102129128 BXHUUGIKQBUDNP-RTBURBONSA-N 426.513 2.698 0 40 IFAB O=C(O)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccccc1 108076261 ROVOQRFJHVRDBA-VQTJNVASSA-N 430.526 2.561 0 40 IFAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(OC)cc1)S(C)(=O)=O 220644951 GKLHOKFLLIVBPY-GOSISDBHSA-N 426.560 2.882 0 40 IFAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224034959 ULYHRLUDCYIBGU-OAHLLOKOSA-N 426.485 2.931 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225515472 YIKNJGUSAAOQLR-GOSISDBHSA-N 440.525 2.796 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)Cc1ccccc1F 225705557 TYRVWUSQSGQFDS-UHFFFAOYSA-N 447.532 2.852 0 40 IFAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCc2cc(Br)ccc21 226039711 UJHRLMYNEFFDHF-UHFFFAOYSA-N 437.359 2.843 0 40 IFAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccccc2CN2CCCCC2)C1 257283858 PADRITBKCMTVBY-SFHVURJKSA-N 444.601 2.894 0 40 IFAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 306127710 GFKVLVHBWFPGCF-UHFFFAOYSA-N 439.447 2.891 0 40 IFAB Cc1cnc(C(=O)N2CCN(C)[C@@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)cn1 306131734 KOFWMKKBNVIXIC-OAQYLSRUSA-N 431.475 2.763 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 408602114 HTLGPMAOKKVXGK-GFCCVEGCSA-N 440.905 2.815 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 408666888 TVHTWHZBWRYOLB-BGYRXZFFSA-N 434.448 2.946 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3OC)c(=O)n2[C@@H]1c1ccccc1 408880662 HTIIPEVEEDQIDE-LUDQZLGDSA-N 449.532 2.828 0 40 IFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 409236298 DJDIDMWQZKYECF-LDADJPATSA-N 439.468 2.806 0 40 IFAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)C1=O 409238370 NGNMTRSKXPYHMG-KPKJPENVSA-N 431.670 2.957 0 40 IFAB C[C@@H](c1ccccc1)N1C[C@@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585103231 ACLHURMQRXUDSG-YADARESESA-N 442.581 2.902 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)cc4)C3)CC2)cc1 585287905 USZSJEITCZIKIP-VWLOTQADSA-N 444.547 2.608 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(Cc1ccc(CO)o1)CC2 1549168654 XKSHARSUZMEUJZ-QFIPXVFZSA-N 439.556 2.843 0 40 IFAB C[C@@](NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1)(C(=O)O)[C@H]1C[C@H]2CC[C@H]1C2 1616030754 FFMAPHSLYOTGJR-SKKIUHIHSA-N 435.420 2.961 0 40 IFAB Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3F)n2Cc2ccccc2)n(C)c1=O 930470 RKLXRPUFXXPGEH-UHFFFAOYSA-N 438.484 2.596 0 40 IFAB Cn1c(NCc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C 8951389 MQADYFIBHHGLTR-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2=O)cc1 9419040 MMIVORXBPMAHPP-KRWDZBQOSA-N 427.457 2.552 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 9467555 VGFURWSEOLHSAI-NPMXOYFQSA-N 425.533 2.598 0 40 IFAB C[C@H]1CCCN(C(=O)CSc2ncccc2C(=O)OCC(=O)N2CCC[C@@H](C)C2)C1 9583665 CXKZLXSRDCMLMA-SJORKVTESA-N 433.574 2.848 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 9684101 FPLTUCHYWLSBFF-FPOVZHCZSA-N 446.525 2.727 0 40 IFAB COCCn1c(=O)c2c(nc3n(-c4cccc(C)c4)c(-c4ccccc4)cn23)n(C)c1=O 9713224 PIFMOXYEFYOYMG-UHFFFAOYSA-N 429.480 2.760 0 40 IFAB CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 9713483 FDXGZSAXIGHYSJ-QGZVFWFLSA-N 434.587 2.663 0 40 IFAB CCOC(=O)C1CCN(C(=O)/C(=C\c2ccc(OC)c(OC)c2)n2ccccc2=O)CC1 9763569 CMFHOZAXZQZLQO-XDJHFCHBSA-N 440.496 2.665 0 40 IFAB CCOc1cc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc(OCC)c1OCC 9972423 WHXOJLAWWVJWLT-UHFFFAOYSA-N 439.563 2.763 0 40 IFAB COc1ccc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)c(OC)c1 10131829 WLGABZRQELKFDJ-UHFFFAOYSA-N 425.441 2.583 0 40 IFAB Cc1cc(N2CCN(C(=O)COc3ccc(N4CCCC4=O)cc3)CC2)nc(C(C)C)n1 11077601 CDSISYLGPWCTNY-UHFFFAOYSA-N 437.544 2.763 0 40 IFAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(Cl)ccc3Cl)=C2)cnn1C 12155063 TXPGVAPFRZXTQE-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(Cl)cc2)c2c(C(N)=O)nc(-c3cccs3)nc21 12236900 DOPKSHHQRONNAX-UHFFFAOYSA-N 441.900 2.977 0 40 IFAB Cn1c(CCC(=O)NCc2ccco2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12578254 VRHLLGNMQJEIJG-UHFFFAOYSA-N 430.530 2.590 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 13002256 DYAGXFYWWPKJFP-UHFFFAOYSA-N 425.510 2.826 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 13063891 WTADAIOXZGONIQ-SJORKVTESA-N 433.574 2.837 0 40 IFAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1=O 13987038 SRQWAHAESYEJRF-INIZCTEOSA-N 445.541 2.682 0 40 IFAB O=c1c(Cl)c(N2CCN(C[C@H]3CCCO3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 15115646 KGRAXBBYAKANIB-CQSZACIVSA-N 443.857 2.601 0 40 IFAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 15969783 JPGPHUYJNJTZIE-UHFFFAOYSA-N 445.415 2.963 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2c(F)cccc2F)CC3)cc1 17050850 XDSFGQTWBURMGR-UHFFFAOYSA-N 436.480 2.927 0 40 IFAB Cc1cccc(CN2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 19236158 WGVJQMHFKQDVPD-KRWDZBQOSA-N 447.514 2.800 0 40 IFAB O=C(Cc1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19339357 AOYVXFBJGOVNSV-FQEVSTJZSA-N 435.553 2.691 0 40 IFAB O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19404882 OOKFAJOIQBRXLW-NRFANRHFSA-N 449.555 2.997 0 40 IFAB COc1cccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 19497315 DHIPBILIYKYGET-HZPDHXFCSA-N 426.517 2.688 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2ccccn2)CCO1 19529285 MNYQDLLKSFFGMF-VWLOTQADSA-N 430.508 2.734 0 40 IFAB COC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 19706602 HIODVGLDNLFSSX-UHFFFAOYSA-N 436.512 2.719 0 40 IFAB CC(=O)N1CCC[C@H](c2nc(CN(C)C(=O)CCc3ccccc3F)cc(N(C)C)n2)C1 19752022 ZMARLALWRIVNAM-IBGZPJMESA-N 441.551 2.999 0 40 IFAB CNc1cc(C(=O)N2CC[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)ccn1 19757965 NWJROJQMQYGJTK-QGZVFWFLSA-N 433.512 2.677 0 40 IFAB COc1ccc(CCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(OC)c1 20247353 GLBMTDRXOQGZSK-UHFFFAOYSA-N 440.452 2.963 0 40 IFAB O=S1(=O)C=C[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 20553675 ZNONECZVYKGCGR-HNNXBMFYSA-N 428.329 2.955 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 22928960 SANLMTRHAYBMEQ-PKTZIBPZSA-N 440.592 2.900 0 40 IFAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c1 23056182 ALDQXZOQACUZJR-INIZCTEOSA-N 433.530 2.849 0 40 IFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 23078585 BQPONQOFTKTVRG-QAPCUYQASA-N 429.464 2.935 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2C)N2CCOCC2)cc1 23107514 PUGMYBUXRAZDQS-FQEVSTJZSA-N 431.920 2.785 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)c(OC)c1 23125971 QLCSKXMPUSXJBJ-UHFFFAOYSA-N 438.440 2.551 0 40 IFAB CCCC1(CCC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)C1=O 23654207 TWBBKVSRCSATJB-GFCCVEGCSA-N 425.432 2.726 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 24611971 HXTSXMLGURVUKK-UHFFFAOYSA-N 441.597 2.886 0 40 IFAB CC(C)(C)OC(=O)C(=O)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F 32101298 YEYKXKBWCGYXBM-OAHLLOKOSA-N 437.212 2.978 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCC(=O)N2CCc3ccccc32)c1 32865794 BFEZEGZNIQDBFW-UHFFFAOYSA-N 449.960 2.690 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 33645136 YHDUVLOSLQAAFD-MTGKDYNDSA-N 438.505 2.790 0 40 IFAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1 34878159 IRMUKTVOJHDYFJ-GHSBBIOCSA-N 434.565 2.739 0 40 IFAB C[C@@H]1CN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)C[C@@H](C)O1 48250199 NLTRGIBTXRPNKL-IAGOWNOFSA-N 443.523 2.993 0 40 IFAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)n1 49545835 VWKOQTYFQVWEHI-UHFFFAOYSA-N 443.431 2.723 0 40 IFAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 58195389 PKOZUROUEBNCHX-SJORKVTESA-N 445.589 2.911 0 40 IFAB COC1CCN(CCNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2C)CC1 79026222 WVYGSJVUZQMWBD-UHFFFAOYSA-N 449.548 2.776 0 40 IFAB CN(CCOc1ccccc1F)S(=O)(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 95398581 NESXAGCWGYQPTQ-SFHVURJKSA-N 436.505 2.877 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](Oc4cc(C)oc(=O)c4)C3)n(C)n2)c1 206964458 ZGKAEIIDDWSZHS-INIZCTEOSA-N 439.468 2.659 0 40 IFAB CCn1c(SCC(=O)Nc2cc(C(=O)O)ccc2OC)nnc1-c1ccc(N)cc1 215678954 PEVMZOIUCXDKCD-UHFFFAOYSA-N 427.486 2.985 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222500737 XJWBQLMNYHFAJA-ZDUSSCGKSA-N 426.922 2.942 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCc3cc(Br)ccc32)cc1 222755632 FCGQGNYDLAIFPH-UHFFFAOYSA-N 439.331 2.668 0 40 IFAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222772157 RJBVQXVCSZEFEC-LJQANCHMSA-N 443.975 2.748 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 223677037 WAHGOJAALAYXAD-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(C)c(Cl)c1)S(C)(=O)=O 224130933 PKFKXFYWUYTGES-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CN(C)CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225801927 ULMPAGOTYMHUJS-UHFFFAOYSA-N 425.963 2.605 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225872865 FMVKJNKCJUFZSA-HNNXBMFYSA-N 438.571 2.621 0 40 IFAB COc1ccccc1[C@H]1CCN(CC(=O)N2[C@H]3CC[C@H]2c2snnc2C3)[C@@H](C)C1=O 247949795 JROZTJHXSVBCKJ-KMCQBPLKSA-N 426.542 2.582 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260836449 PRSBMJCJJYBBIB-CVEARBPZSA-N 448.541 2.888 0 40 IFAB C[C@H](O)CN1CCN(CCOc2c(Br)cccc2Br)[C@@H](C)C1 501971759 AFBNMUZGVSOTRG-STQMWFEESA-N 436.188 2.977 0 40 IFAB Cc1cccc(N2CCC(O)(CN3CCC[C@@H]4[C@H]3CCCCN4S(C)(=O)=O)CC2)c1 585284428 RZRZQSAYMXYUNS-FGZHOGPDSA-N 435.634 2.605 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4ccc(F)cc4)C[C@H]23)n1 1549162680 UUSGLAWRURXMCX-SFHVURJKSA-N 440.479 2.632 0 40 IFAB O=C(CCc1nc2ccc(Cl)cc2[nH]1)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 2037880188 OEMDVOLOZKKHCW-NRFANRHFSA-N 431.899 2.831 0 40 IFAB COc1ccc(CCN2C[C@@H](CN3C(=O)NC4(CCCCCC4)C3=O)CC2=O)cc1OC 2298064974 JGELVSYYCAZDOA-SFHVURJKSA-N 443.544 2.740 0 40 IFAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc(=O)c4nnn(Cc5ccccc5)c4[nH]3)C2)c1 1334982 NENMRUMPZZJZDM-LJQANCHMSA-N 428.496 2.891 0 40 IFAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3344420 RLFJDWVOUWNKQN-UHFFFAOYSA-N 429.395 2.534 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1C 3391446 RMMGXSBJHGTGKC-FATZIPQQSA-N 429.517 2.922 0 40 IFAB Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccc(OC(F)F)cc1 3536265 HQHKGFMWZLLKGJ-UHFFFAOYSA-N 431.424 2.649 0 40 IFAB Cc1cccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)c1 8774923 GSXOJGUZDLELQA-UHFFFAOYSA-N 442.523 2.926 0 40 IFAB O=C(CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccccc1Cl 8990985 TWBFKDMXJFRPHO-INIZCTEOSA-N 429.860 2.790 0 40 IFAB O=C(NCCC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060059 PCFACPKRLGURBI-OAQYLSRUSA-N 447.587 2.988 0 40 IFAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 9225982 AJWDDPAAUMFTFB-UHFFFAOYSA-N 432.542 2.526 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9465566 GODYOHPDIDVMCH-KRWDZBQOSA-N 437.949 2.941 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1C 9986948 NAUJPBXMXILREK-NRFANRHFSA-N 449.410 2.669 0 40 IFAB COc1ccc(C(=O)NCC(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1 10041420 ICSCTGGHQCKHFF-UHFFFAOYSA-N 432.476 2.874 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1 11027417 ZLDGUBCKVDLTAR-UHFFFAOYSA-N 434.518 2.864 0 40 IFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cccc(S(=O)(=O)N2CCCC2)c1 11434835 ZCFUZCYASFEICG-UHFFFAOYSA-N 429.450 2.640 0 40 IFAB C[C@H]1Cc2nc(SCC(=O)NC[C@@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 11726653 BAPZIGHNHFKSOG-RDJZCZTQSA-N 445.610 2.910 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)cc2n1 12257485 NXNUHFDHQYJXQW-CYBMUJFWSA-N 431.484 2.831 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n(N)c2=O)cc1 12348413 DQQBHUDGAGFCRD-UHFFFAOYSA-N 445.932 2.726 0 40 IFAB NS(=O)(=O)c1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c(Cl)cc1Cl 12998587 LNXXVLAYASSVFM-UHFFFAOYSA-N 442.324 2.919 0 40 IFAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCc2ccccc2)c1=O)COC(C)(C)C3 13607634 MTQUESAFENRREH-UHFFFAOYSA-N 442.537 2.882 0 40 IFAB O=C(N[C@H](CO)c1ccccc1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 13689917 CRVJKADYBFLZHF-QYGXFBIXSA-N 434.533 2.760 0 40 IFAB COc1cccc(N2C(=O)C(=O)N(CN3CCC(c4nc5ccccc5o4)CC3)C2=O)c1 14189471 LUARRNJDJOADRX-UHFFFAOYSA-N 434.452 2.969 0 40 IFAB CN(CC(=O)NCc1ccc(Cn2cccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 16302149 VDPIWCFINTXOQZ-UHFFFAOYSA-N 432.933 2.522 0 40 IFAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3cc(-c4cccs4)on3)c2C)n1 16849634 ADUPTLXCXYBPJN-UHFFFAOYSA-N 438.513 2.846 0 40 IFAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)no1 17097452 CLBDVIPVFIGPIU-UHFFFAOYSA-N 431.445 2.696 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19285183 CDWXTEPFJVITAO-OAQYLSRUSA-N 438.509 2.831 0 40 IFAB COCCN1C[C@H](C(=O)NCc2ccc(-c3nc(C)ncc3-c3ccccn3)cc2)CC1=O 19287066 YJBBODIOQJHDQW-HXUWFJFHSA-N 445.523 2.625 0 40 IFAB COc1cc(Br)c(CC(=O)O[C@@H](C)C(=O)NCc2ccco2)cc1OC 19298792 RILVPLCDXKLGEF-NSHDSACASA-N 426.263 2.850 0 40 IFAB O=C(CCC1=NNC(=O)CC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19340501 HCRAWCKELKTWRK-UHFFFAOYSA-N 434.475 2.914 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)o1 19689999 BMBYVLGYVRRXDZ-SFHVURJKSA-N 434.500 2.891 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(C(=O)C3CCCCC3)CCO2)n1 19694967 QMGMLKPRLGBAHQ-HXUWFJFHSA-N 437.544 2.789 0 40 IFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)Cc3c(C)nc4c(C)cccn34)nc21 19697984 SMMPOEVYARIFAC-UHFFFAOYSA-N 436.560 2.997 0 40 IFAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 19739392 SACTZXBYNCNYDY-KRWDZBQOSA-N 426.492 2.756 0 40 IFAB O=C(Nc1ccc(F)cc1)c1cccn(CC(=O)N2CCCC[C@@H]2CN2CCCC2)c1=O 19750344 WTXKYWRAQOWIHW-HXUWFJFHSA-N 440.519 2.717 0 40 IFAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 19766711 QGSGQJTUTHVOHE-SFHVURJKSA-N 447.561 2.978 0 40 IFAB C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 21499850 BZQGJBJLEWJQQY-GFCCVEGCSA-N 432.429 2.917 0 40 IFAB CC[S@@](=O)c1ccccc1C(=O)OCc1nc(N)nc(Nc2ccccc2OC)n1 21740678 VLKOAKPASNUWON-PMERELPUSA-N 427.486 2.691 0 40 IFAB O=C1C(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C(=O)N1Cc1cccs1 22945113 BQTNNGQYAFNRED-UHFFFAOYSA-N 448.548 2.967 0 40 IFAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(Oc2ccccc2)cc1 22996957 AEPVRCAWZMRVNT-OAQYLSRUSA-N 427.501 2.573 0 40 IFAB CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 24712843 JXJUEJXKKXVCOD-UHFFFAOYSA-N 443.569 2.719 0 40 IFAB O=C(CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCCC1 25217275 DGNKQEKAEDZDKQ-NRFANRHFSA-N 434.584 2.786 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCNC(=O)c1ccccc1 25519882 AESYEGIRIVIKCH-SFHVURJKSA-N 433.961 2.738 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)Oc2ccccc21 26112905 XBJABGCPKKMYFV-JOCHJYFZSA-N 443.569 2.569 0 40 IFAB Cc1c(NC(=O)CCN2C(=O)CCC2=O)cccc1C(=O)N1CCc2sccc2C1 26413364 ADBKMDOALDBWKU-UHFFFAOYSA-N 425.510 2.733 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H](c3cccs3)N(C)C)C2)s1 27679750 IREXXJYXJUZGEI-JKSUJKDBSA-N 441.644 2.938 0 40 IFAB CCOc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 30862902 VUVOSSUNVWLDGK-SFHVURJKSA-N 432.542 2.811 0 40 IFAB Cc1ccnc2nc(C(=O)N3CCCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nn12 32869032 ZUOJHZQPKHFTBY-UHFFFAOYSA-N 439.829 2.852 0 40 IFAB COc1cc(OC)c(NC(=O)COc2ccccc2C(=O)N2CCOCC2)cc1Cl 32883592 UGARAAYNJKMIOB-UHFFFAOYSA-N 434.876 2.847 0 40 IFAB O=C1COc2ccc(C(=O)COC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2N1 32956253 BUPQZTLNPKQRLB-UHFFFAOYSA-N 433.342 2.812 0 40 IFAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 32971018 CGMLPKTYZYUSMF-UHFFFAOYSA-N 447.520 2.756 0 40 IFAB Cc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 36389691 KZGCEIISCQIPLM-UHFFFAOYSA-N 440.422 2.515 0 40 IFAB CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3cccc(C(=O)O)c3)c2)C1=O 41182013 SPVSXYRZCVKLQM-UHFFFAOYSA-N 436.873 2.993 0 40 IFAB Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)NCc1ccc2c(c1)OCO2)C3 49003136 KQVFPQNIQVLBLL-UHFFFAOYSA-N 439.899 2.893 0 40 IFAB CCc1ccc([C@@H]2NC(=O)NC(CN3CCC(N4CCCCC4)CC3)=C2C(=O)OC)cc1 57415169 KVYOISZHHSVUMS-QHCPKHFHSA-N 440.588 2.980 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)cc(OC)c4)ncn3n2)cc1 67208838 SZHDKWDEKSVIDN-UHFFFAOYSA-N 433.468 2.776 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)NCc1ccccc1Cl 72325849 JAUSNIADARVZKG-QFIPXVFZSA-N 426.904 2.521 0 40 IFAB COc1ncc(C2(O)CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)c(OC)n1 72337535 CUJTZPGUJDCSAU-UHFFFAOYSA-N 440.544 2.604 0 40 IFAB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)nc2ccc(Br)cn2c1=O 96114019 HRLGSJBNSUZYDY-GFCCVEGCSA-N 449.257 2.572 0 40 IFAB biogenic COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O)C3 100792237 GFHFWGFKMHTSCF-QFIPXVFZSA-N 432.480 2.825 0 40 IFAB biogenic Cc1cccc(C)c1N1C(=O)C[C@H](N(O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)C1=O 101030652 ITTDHQNVGAWNQU-HDICACEKSA-N 435.480 2.575 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)c1 108234326 YIZDFQHPOKSVMG-HSGJQSDISA-N 448.475 2.797 0 40 IFAB Cc1ccc(CNC(=O)CSC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 113482201 BCDZZOXJYHVSSS-ROUUACIJSA-N 427.595 2.910 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 215760539 JCIWCKWDLLVMQJ-HZPDHXFCSA-N 435.615 2.665 0 40 IFAB COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 218186062 MXNGOLUEEXBSTG-LNLFQRSKSA-N 439.942 2.927 0 40 IFAB CC1(C)C[C@H](NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c2ccccc2O1 219970724 SIMHSSCSJJHFNW-FQEVSTJZSA-N 444.553 2.881 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220105040 GCYPAVSKJFCOGQ-UHFFFAOYSA-N 434.514 2.974 0 40 IFAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)c1C 222602850 HJXPFTBDRRROST-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB COc1ccccc1NC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223383317 FOWCRTCTEVOYDQ-UHFFFAOYSA-N 426.498 2.867 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccc(F)cc1 223611616 FLLRQCJNSWKKBW-UHFFFAOYSA-N 445.516 2.787 0 40 IFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1ccc(N3CCOCC3)c3nonc13)[C@@H]2C(=O)O 225749504 AQSHUXMEBUYNTN-RPLLJCPNSA-N 426.473 2.691 0 40 IFAB COc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC1)O2 225821406 BBDHUDRRYDYQNE-UHFFFAOYSA-N 445.493 2.655 0 40 IFAB S=C(NC[C@@H]1CCCO1)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 225907515 BDBHIYYIWRQWDA-AWEZNQCLSA-N 431.591 2.874 0 40 IFAB COc1ccc(-c2cccc3nc([C@H]4CN(C(=O)c5cnccn5)CCN4C)cn23)cc1 306134283 NHPAZBKNHDIHSW-JOCHJYFZSA-N 428.496 2.929 0 40 IFAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 408587952 VCPOTFVMTOYUAY-UHFFFAOYSA-N 436.442 2.629 0 40 IFAB CCc1ccc(N(CC(=O)N[C@H](C)COC)S(=O)(=O)c2cc(C)ccc2OC)cc1 408626477 ZAORCEFRIKNLBN-QGZVFWFLSA-N 434.558 2.912 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 408661459 VWSZHWVUXZBSEW-OAHLLOKOSA-N 444.871 2.970 0 40 IFAB Cc1noc(CCNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 604405181 MGIQIMJBXAJIGS-QFIPXVFZSA-N 445.479 2.632 0 40 IFAB biogenic COc1cc2c(cc1OC)[C@@H](NC(=O)CC1(c3oc(C)cc(=O)c3O)CCOCC1)CC2 1547139725 YUMWOOADIUCPTF-KRWDZBQOSA-N 443.496 2.913 0 40 IFAB biogenic COC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2cnc3nc(-c4cccs4)nn3c12 1548338217 ITZUDCZYUZRPFQ-UHFFFAOYSA-N 433.449 2.952 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1 649935 LWGNHUNGTUTXOR-UHFFFAOYSA-N 441.513 2.953 0 40 IFAB CCNC(=O)C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1 1071891 OBIJLIMGUIGSCP-MRXNPFEDSA-N 448.907 2.652 0 40 IFAB CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 3325688 LBVJBTXOZNARFU-UHFFFAOYSA-N 427.486 2.940 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 3456615 VJUJSTKCGJMGLM-UHFFFAOYSA-N 440.525 2.669 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 3482075 KZXOSHSHPWLNRV-CSKARUKUSA-N 430.526 2.985 0 40 IFAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)Nc4ccccc4)ccc(=O)n2C3)CC1 8300434 PITFRHAPBTTXSE-RBUKOAKNSA-N 449.555 2.922 0 40 IFAB biogenic,in-vitro CCCCN(CC(=O)NCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(OCC)cc1 8718243 JKURFARSVGXDJG-UHFFFAOYSA-N 448.541 2.891 0 40 IFAB Cc1cc(C)c(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(=O)[nH]1 8734943 IMTVHLAVLUQMEB-UHFFFAOYSA-N 445.585 2.805 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 9218164 DCBKPOFJRAWKQJ-QGZVFWFLSA-N 437.587 2.695 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3F)C2)cc1 9418759 UBKJONNAQMRDKR-GOSISDBHSA-N 447.532 2.544 0 40 IFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=Cc4cc(C)ccc4N2[C@@H]3C(C)=O)cc1 9422537 QFOXYBRIWZFRPC-BXXSPATCSA-N 430.460 2.899 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3)cc2)C1 9631328 KHRLHJCZIPRTPL-QZTJIDSGSA-N 444.553 2.826 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 9767109 IJQMMQQOLZLRIS-CQSZACIVSA-N 435.933 2.503 0 40 IFAB Nc1nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)nc(Nc2ccc(F)cc2)n1 10026761 UKHMDZYAMQMVCP-JOCHJYFZSA-N 433.447 2.620 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1=O 10677398 MVPZIDJVEHZZEC-XMMPIXPASA-N 431.496 2.688 0 40 IFAB O=C(CS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1 11666515 IKKKXPLBRQQNOG-UHFFFAOYSA-N 447.351 2.772 0 40 IFAB C[C@H](Sc1ncnc2c1cnn2C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 11685401 YUBFJSHYAGCPLL-VIFPVBQESA-N 436.419 2.848 0 40 IFAB CCC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1 12157735 HCTHWKUFQDUHEZ-GHTZIAJQSA-N 429.590 2.854 0 40 IFAB COc1cc2nc(CN3CCOCC3)n(Cc3ccc4ccccc4n3)c(=O)c2cc1OC 12517032 POMBAEXVTVDAQE-UHFFFAOYSA-N 446.507 2.842 0 40 IFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C 12531440 BBWUXPAKQLYDDT-UHFFFAOYSA-N 426.420 2.958 0 40 IFAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 12741477 SIYZKNZXECOQAY-UHFFFAOYSA-N 426.498 2.804 0 40 IFAB Cc1ccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2C)cc1 12824130 QJUIBGQJGYSNEK-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(OC)c(OC)c2OC)cc1OC 12872610 DBLVJGNIRUFKKO-HNNXBMFYSA-N 432.517 2.866 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1OC 13465375 XIASDSHVJHSMHQ-UHFFFAOYSA-N 425.510 2.905 0 40 IFAB CCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccncc1 13513045 NWBQETVBLYRGAE-UHFFFAOYSA-N 425.514 2.679 0 40 IFAB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14249326 OSMWXXFPRCRHQN-IBGZPJMESA-N 436.549 2.695 0 40 IFAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 15281021 OTFQULYTKGHZSB-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CS(=O)(=O)CC[C@@H](C(=O)Nc1cccc2c1CCCC2)N1C(=O)c2ccccc2C1=O 15582638 USYJUKQPYUWSPT-FQEVSTJZSA-N 440.521 2.603 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1 16097402 PEJLPTHCOPDHAS-UHFFFAOYSA-N 429.454 2.574 0 40 IFAB O=C(NCCSCc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 17604119 SQDIUXOKPUKHIS-UHFFFAOYSA-N 438.546 2.510 0 40 IFAB Cc1nn(CC(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCCC3)n2)c2ccccc2)c(C)c1C 19556578 GSXGZDBWOTXJPL-OAQYLSRUSA-N 434.544 2.592 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)nc2c1CCCN2C 19706970 HTXHWORWMCHIFK-QGZVFWFLSA-N 435.528 2.872 0 40 IFAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccccc4)CCO3)nc3ccccc23)CC1 19762006 UTXXIULCCYACHD-XMMPIXPASA-N 444.535 2.836 0 40 IFAB COc1cc2cc(C(=O)N3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)n(C)c2cc1OC 19764565 VXBOIAAWJNCHBX-INIZCTEOSA-N 437.500 2.760 0 40 IFAB CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1 21682313 XUYKSWGODXQBFS-UHFFFAOYSA-N 430.313 2.660 0 40 IFAB NC(=O)[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 23575719 WALDPVJXLMACPX-QAPCUYQASA-N 436.917 2.511 0 40 IFAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1C(F)(F)F 24985576 RMSJMHFEHJYAIL-LRDDRELGSA-N 446.447 2.796 0 40 IFAB Cc1ccc(-c2nonc2NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 27985920 DLJKMMSOQMWQIF-HNNXBMFYSA-N 441.513 2.732 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccc(Cn2cccn2)cc1 29232099 FSGJFEOSGVIQLF-UHFFFAOYSA-N 425.539 2.550 0 40 IFAB Cc1ccc(NC(=O)CN(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 29464444 XPYOTKWNMAMYQM-UHFFFAOYSA-N 449.555 2.967 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C)c3cnn(-c4ccc(F)cc4)c3C)ccc21 31562529 XOWOQNDKBWTIMP-ZDUSSCGKSA-N 435.459 2.834 0 40 IFAB Cn1c(=O)c2cc(C(=O)Nc3ccccc3N3CCc4ccccc43)cnc2n(C)c1=O 32827445 QJMQOEBJXPXJTL-UHFFFAOYSA-N 427.464 2.579 0 40 IFAB O=C1NC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)N=C1c1cccc(F)c1 35432611 PQJBJMMHTOFWRO-UHFFFAOYSA-N 439.871 2.718 0 40 IFAB COc1ccc(CNC(=O)c2nc(COc3ccccc3NC(C)=O)no2)cc1OC 36352660 IVGVMWRXQKOHQW-UHFFFAOYSA-N 426.429 2.554 0 40 IFAB O=C(CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1)NC1CC1 36384568 YKYWVNDOIJAQBM-UHFFFAOYSA-N 449.580 2.696 0 40 IFAB Cc1oc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1S(=O)(=O)N1CCCC1 48356000 CDXCGBNDSAFHIJ-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)Nc2ccc(OC(F)F)cc2)c1C 58161721 GTFOHGTVBCLJTF-UHFFFAOYSA-N 430.477 2.771 0 40 IFAB CCN1CCN(c2ccc(NC(=O)NCc3cccnc3N3CCOCC3)cc2C)CC1 58357807 UKGLZNXJJODGDL-UHFFFAOYSA-N 438.576 2.690 0 40 IFAB CN(C)C(=O)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 69375880 PIZUXBJAJKMZPK-QGZVFWFLSA-N 426.344 2.925 0 40 IFAB C[C@@H](C(=O)Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1)n1cncn1 71808654 CJRVKCADSWLJSR-VDGAXYAQSA-N 442.520 2.670 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NC3CCN(CCOc4ccc(F)cc4)CC3)ccc2N1 79062420 FKOBHZRSXGRIBQ-UHFFFAOYSA-N 447.532 2.532 0 40 IFAB CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccncc1 79480809 BVYOSNJEBBNPGR-FQEVSTJZSA-N 429.952 2.908 0 40 IFAB COc1ccc(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(OC)c1OC 95424605 CYXYMMPJSLOOOW-GOSISDBHSA-N 426.469 2.938 0 40 IFAB C[C@H]1CN(C)C[C@@H](C)N1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 95440472 JMTUGGAQWNWTJQ-TXEJJXNPSA-N 441.903 2.578 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1 101352866 KJLGEKYFJFYNQY-RBUKOAKNSA-N 441.875 2.979 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCCCc3cnc4cc(C)nn4c3)n(C)n2)c1 206820912 OMFBFFBDPSBWEN-UHFFFAOYSA-N 434.500 2.818 0 40 IFAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1N(C)S(C)(=O)=O 222457056 CELMSMSBCXLMLH-QGZVFWFLSA-N 445.541 2.552 0 40 IFAB CCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 224030959 PTXMNGCKFXNJHT-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB COC(=O)CSc1nnc(NC(=O)c2ccccc2I)s1 224484608 KPARSQRUVNWWJV-UHFFFAOYSA-N 435.268 2.660 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 225689006 LGVFMESPVQSEMF-UHFFFAOYSA-N 444.538 2.682 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccccc4)no3)ccc21 225699777 AVGULLGKPSPKSD-UHFFFAOYSA-N 430.511 2.954 0 40 IFAB O=c1sc2cc(S(=O)(=O)NCCCN3CCCC3)ccc2n1Cc1ccccc1 225745648 NVMNTPBNHYHXEG-UHFFFAOYSA-N 431.583 2.876 0 40 IFAB CCn1cc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCOCC5)cccc4n3)C2)cn1 306145151 ZZPBTSQOVUAMNI-QHCPKHFHSA-N 449.603 2.656 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1C 408556716 JHGCMPPDYVYBJK-QGZVFWFLSA-N 445.541 2.532 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408666765 SKRQTNTVNYCZAV-KHDMTIDOSA-N 426.513 2.841 0 40 IFAB CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 601472508 MSIUXBQGEDWRKN-OAQYLSRUSA-N 425.577 2.902 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCc3ccccc3[C@H]2C(N)=O)sc2c1CC[C@H](C)C2 609355639 YHINELRGZZWFGQ-RBZFPXEDSA-N 441.553 2.683 0 40 IFAB CCNC(=O)c1cnn2c([C@@H]3CCCN(C(=O)Cc4ccc(OC)c(F)c4)C3)ccnc12 1614936588 DBKTUEQUUOPZGH-MRXNPFEDSA-N 439.491 2.575 0 40 IFAB COc1ccccc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccncc1)c1ccnn12 1772596362 AHMSOPYWXTUHDN-UHFFFAOYSA-N 431.496 2.855 0 40 IFAB CCCn1c(O)c(C(=O)NNC(=O)c2ccc(Br)cc2)c(=O)c2ccccc21 1013835 NADHQJZXNBAQFN-UHFFFAOYSA-N 444.285 2.954 0 40 IFAB CN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 3521157 IRFXUXQZFFIADH-CQSZACIVSA-N 444.534 2.766 0 40 IFAB CCC(CC)NC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C 5981406 DMUSDVBVBOWBJR-IBGZPJMESA-N 425.595 2.776 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 6905318 OHLVLPFOAPAQRJ-UHFFFAOYSA-N 427.482 2.560 0 40 IFAB COc1ccc(C(NC(=O)COc2cccc(-n3cnnn3)c2)c2ccc(OC)cc2)cc1 8745380 LIPYFZBKQNCKFT-UHFFFAOYSA-N 445.479 2.964 0 40 IFAB Cc1[nH]c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc1Cc1ccccc1 9126537 HXNKXVOMEJWKTH-UHFFFAOYSA-N 427.530 2.687 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)cc1 9263586 JYZSYWFMQABTLS-LLVKDONJSA-N 432.531 2.581 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nnc(C)s3)n2C)c(C)c1 9290086 BJENNADOOYFKCS-LBPRGKRZSA-N 445.574 2.892 0 40 IFAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC1CCCC1 9519824 ZZUKZQHSEPHKBL-UHFFFAOYSA-N 445.585 2.876 0 40 IFAB COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1C 9579171 NPELAWHHDFMWCJ-HSZRJFAPSA-N 425.485 2.554 0 40 IFAB Cc1nc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c2c(C)c(C)sc2n1 9602683 WBUCYCCYTUCIFF-UHFFFAOYSA-N 447.586 2.690 0 40 IFAB CCCCn1c(COC(=O)c2cccnc2SC)nc2cc(S(N)(=O)=O)ccc21 9645994 OPQNERNKUHTQEJ-UHFFFAOYSA-N 434.543 2.958 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cccc(F)c3)C2)cc1 9673731 BJBVJVQAHZDANL-SFHVURJKSA-N 433.461 2.740 0 40 IFAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)cc1 9677881 KPNMPSSOCNAMBK-UHFFFAOYSA-N 444.879 2.812 0 40 IFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9788837 CXWDIMCDEPUUQU-HXUWFJFHSA-N 439.537 2.762 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(OC)nc1)n2C 10741163 ASFNXHSOSPFUFJ-UHFFFAOYSA-N 445.545 2.579 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 11030656 NYWSYKDTSFYFBW-HNNXBMFYSA-N 433.530 2.623 0 40 IFAB Cc1nc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)sc1C 12085940 ZEKOATFVYGILTL-ZSEKCTLFSA-N 428.514 2.618 0 40 IFAB COc1cc(C(=O)NCCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC 12297099 KHVMFSVEKDRWJO-UHFFFAOYSA-N 437.496 2.899 0 40 IFAB biogenic O=C(CSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12)N1CCOCC1 12407953 DYHUSTLAXWETMR-UHFFFAOYSA-N 444.948 2.571 0 40 IFAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(Br)c1 12630489 GJXQNHBWKLBLPH-UHFFFAOYSA-N 431.333 2.790 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)NC[C@@H]1CCCO1)OCO2 12640572 NCCROUJPSDNMJU-HNNXBMFYSA-N 439.468 2.577 0 40 IFAB Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1nc2ccccc2s1 12715032 KVUGCILEJXOTEU-UHFFFAOYSA-N 436.526 2.949 0 40 IFAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)nc1 12865285 NCGNGATYYAZCOX-UHFFFAOYSA-N 448.564 2.991 0 40 IFAB CN(CC(=O)NC(C)(C)C)C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12906475 JXILZDSLMRFVPI-UHFFFAOYSA-N 436.574 2.924 0 40 IFAB Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 13071456 LPOYRAVVCWKIET-UHFFFAOYSA-N 442.459 2.926 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 13112193 JJTORMRJZJDJPQ-UHFFFAOYSA-N 427.526 2.642 0 40 IFAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13164082 IEJKGNGBSQNIAG-HXUWFJFHSA-N 425.510 2.563 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 13585762 SBXLJFOPAYKSJC-UHFFFAOYSA-N 434.495 2.703 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)c(C)c1 14155563 YBGTVHQTRURISY-UHFFFAOYSA-N 429.542 2.750 0 40 IFAB CNc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc12 14199050 HLZVXKGKFLKFRL-UHFFFAOYSA-N 435.431 2.936 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1ccc(Br)s1 14210478 CSHCCDJTZFUKOG-UHFFFAOYSA-N 433.349 2.999 0 40 IFAB COc1c(Br)c(C[C@H]2CC(C(=O)O)=NO2)c(Br)c2c1OCO2 15082619 GHFICZQNYWFXJI-YFKPBYRVSA-N 437.040 2.721 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15970189 KORZJRHCDXYWAD-GGVOQYFPSA-N 442.519 2.930 0 40 IFAB biogenic C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16047175 BCQWUYCSUSKCOC-SJKOYZFVSA-N 436.434 2.820 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)ccc21 16777811 RMNOFKLQWYMGLV-UHFFFAOYSA-N 431.496 2.501 0 40 IFAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 18047754 JTUQMRDRBAHHMX-AEFFLSMTSA-N 432.480 2.874 0 40 IFAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cn2cc(C)nn2)C1 19528561 CJIAJMBEYWHFTI-VWLOTQADSA-N 446.555 2.636 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cccnc2)CCO1 19580777 YYAMNEOPGSSQDC-RUZDIDTESA-N 430.508 2.686 0 40 IFAB COc1ccc(OC)c(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 22333856 UHNWFKATTGGBPK-QGZVFWFLSA-N 448.541 2.888 0 40 IFAB COc1cccc([C@H](CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 22804906 CWRNNFDPHSSPLM-OFNKIYASSA-N 446.617 2.795 0 40 IFAB O=S(=O)(NC[C@@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 22875291 NNZWRXTZFOMDNZ-DEOSSOPVSA-N 436.581 2.919 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 24976777 HJMGUFMIILPZQZ-AWEZNQCLSA-N 430.555 2.968 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)CC1 24988967 BDTHBFPQNWPQGT-GOSISDBHSA-N 431.558 2.727 0 40 IFAB CC[C@@H](Oc1c2ccoc2c(OC)c2oc(C)cc(=O)c12)C(=O)OCCN1CCOCC1 31959974 MXBAIRRCJVIFLS-QGZVFWFLSA-N 445.468 2.889 0 40 IFAB O=C(Nc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1)c1cccs1 32722133 QXPVJZMHNXJDLG-ROUUACIJSA-N 448.566 2.809 0 40 IFAB CC(=O)N[C@@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 35056626 XCMZMJFBJIDKSB-RMVFICBOSA-N 435.476 2.923 0 40 IFAB Cc1ccc(CSCCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 38837324 UBJMKUOPWHTSTI-FQEVSTJZSA-N 434.583 2.962 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1C 39501719 CXEQWBXBTIZOKC-UHFFFAOYSA-N 430.526 2.561 0 40 IFAB COC(=O)c1occc1COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 40017786 VSMGVUMTTFEGRZ-UHFFFAOYSA-N 447.509 2.699 0 40 IFAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)CS(=O)(=O)NC1CCC(C)CC1 58268432 MRKWHRKHMORFST-UHFFFAOYSA-N 432.590 2.728 0 40 IFAB CC[C@H](C)NC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 67338449 SXNTUTQLUKXPAC-KRWDZBQOSA-N 447.605 2.559 0 40 IFAB CCOc1cc(-c2nn3c(CN4CCOCC4)nnc3s2)cc(OCC)c1OCC 71260509 VILZZPCCFXBQBF-UHFFFAOYSA-N 433.534 2.881 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nc4n3CCCC4)CC2)c(C)c1C 95465277 GZPWBIURTVRRQE-UHFFFAOYSA-N 432.590 2.660 0 40 IFAB CCN(Cc1cn(C)nn1)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 96006549 IPOIQOSLEGBPGG-UHFFFAOYSA-N 443.529 2.595 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)cc1 96231536 IKFBTFOWLOXBPK-FQEVSTJZSA-N 434.496 2.667 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 220270901 TWZRHHHWJBWDPI-LJQANCHMSA-N 429.586 2.748 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3nc(-c4ccccc4C)no3)ccc21 223619187 CXODPUYQNXTDQH-UHFFFAOYSA-N 426.498 2.823 0 40 IFAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 245228775 FKJUUKVGJGPQSF-NPQLIOMISA-N 431.485 2.661 0 40 IFAB Cc1nonc1CC(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257266333 MCOHEGDFZWAXTN-IBGZPJMESA-N 431.880 2.519 0 40 IFAB CCOc1ccc(N([C@@H](CC)C(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260901649 MQYMHGUKABYJHT-OALUTQOASA-N 448.541 2.586 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCOc2cccc3ccccc23)Oc2ccccc21 260922497 GVQJKIVXCNQZHZ-OAQYLSRUSA-N 426.494 2.562 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1 408700045 AETFBYHBIGTBQJ-LJQANCHMSA-N 431.558 2.931 0 40 IFAB COc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc(OC)c1OC 408721535 SGQGBGDZIDYSQP-NSIKDUERSA-N 448.298 2.640 0 40 IFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O 409208183 BRHWYUCOPRBQRQ-ACAGNQJTSA-N 427.276 2.740 0 40 IFAB COc1ccc2c(c1)[C@@H](NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCO2 531676539 UAHUFXSRSHTXLX-NRFANRHFSA-N 432.542 2.720 0 40 IFAB NC(=O)c1ccc(NC(=O)N2CCn3c(nnc3-c3ccccc3)C2)c(OCC(F)F)c1 569534647 MYLSLOVAMYUWTQ-UHFFFAOYSA-N 442.426 2.736 0 40 IFAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)[C@@H]3CCN(C4CCN(C)CC4)C3)n2)n1 601477901 MKSKNANGWJZPQN-GOSISDBHSA-N 430.984 2.778 0 40 IFAB c1cnc(N2CCC(OC[C@H]3CCOC3)CC2)c(N2CCC(OC[C@H]3CCOC3)CC2)n1 680962682 PUMIKNCOWFZIEL-PMACEKPBSA-N 446.592 2.520 0 40 IFAB COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c(OC)c1OC 1888901176 KGMWZEBNWFQCGB-IYBDPMFKSA-N 438.528 2.508 0 40 IFAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)OC 814129 CGIMCOMXQBEAKX-OAQYLSRUSA-N 439.468 2.904 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(C(=O)OC)cc3)C(=O)O2)c1 3221314 ZNIRNOAWCXHJOX-CPNJWEJPSA-N 442.493 2.848 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1 3227473 PSPMVJFOXXSIRD-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)c1 3491186 XAHCSVCOUZNIFT-UHFFFAOYSA-N 438.347 2.608 0 40 IFAB COC(=O)C1=NN(c2ccccc2C)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 8439488 ZGYAVTLYBOAMLX-RDJZCZTQSA-N 442.269 2.665 0 40 IFAB COC(=O)c1c(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)nc2ccccc2c1C 8729026 BAEMLRHCBHHNHC-ZDUSSCGKSA-N 425.510 2.928 0 40 IFAB Cc1ccc(C2=NN(C(=O)COC(=O)CN3CCSC3=O)[C@@H](c3ccco3)C2)cc1 8937989 DFIYHBSYVKNAFR-QGZVFWFLSA-N 427.482 2.978 0 40 IFAB CC(C)CCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 9242791 JIHXRNZDTULCJM-UHFFFAOYSA-N 437.588 2.935 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)C[C@@H](NC(C)=O)c2ccccc2)sc(C)c1C 9384343 FNGKDCMSQPLRKE-MRXNPFEDSA-N 432.498 2.901 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H](CC)Oc1ccccc1)n2CCC 9464679 NDRFBPIYKZBNHO-KRWDZBQOSA-N 442.516 2.997 0 40 IFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O 9512432 KUVXYLYSUNSDPR-NPMXOYFQSA-N 438.484 2.649 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc2ccccc12 9569988 OVFPYJWEXMTMMQ-UHFFFAOYSA-N 441.528 2.861 0 40 IFAB COc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1S(=O)(=O)NC1CC1 9666495 JTPDOARLXJSRAA-UHFFFAOYSA-N 443.569 2.662 0 40 IFAB CCCCn1c(CSc2nnnn2C2CCCC2)nc2cc(S(N)(=O)=O)ccc21 9714898 UQLNCVASRGUOQT-UHFFFAOYSA-N 435.579 2.878 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cn3c(=O)cnc4ccccc43)n2)s1 9875563 FJGPMPYPCJVFDP-UHFFFAOYSA-N 439.522 2.856 0 40 IFAB COc1cc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc(OC)c1OC 10004273 OSRANKCEJFGDOE-UHFFFAOYSA-N 444.557 2.591 0 40 IFAB CCOc1ccc([C@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10297313 VTPYQAOPLGYLSZ-FQEVSTJZSA-N 447.455 2.946 0 40 IFAB C[C@@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12 10762397 METCLUOCTPUFBM-CQSZACIVSA-N 443.477 2.918 0 40 IFAB CCOc1ccccc1NS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11858143 YTXVRBDXNCZOSV-UHFFFAOYSA-N 438.527 2.569 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCc1ccc(Cl)cc1 11904727 KOSDHXGWRFCODA-UHFFFAOYSA-N 442.946 2.502 0 40 IFAB COc1ccc(C(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2F)cc1OC 12705954 WOCQLLJFRPNVCJ-GOSISDBHSA-N 430.476 2.781 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1 12749244 FOXQPRNCEBVOMX-UHFFFAOYSA-N 443.569 2.883 0 40 IFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12759121 BRLJTWKKPLSIRL-MRXNPFEDSA-N 431.533 2.648 0 40 IFAB COc1ccc(CC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(OC)c1OC 12783223 GLWMEHJMWIQDRG-UHFFFAOYSA-N 426.513 2.810 0 40 IFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 13108465 UYVVWFJEIMWJNG-UHFFFAOYSA-N 437.529 2.759 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C(=O)O)c1ccccc1 13591639 VKPFZCMHCWMCPF-VOBQZIQPSA-N 438.484 2.512 0 40 IFAB COc1ccc(-c2cc3ccc(OCC(=O)N4CCC(O)CC4)cc3oc2=O)cc1OC 13692996 YNGZRJSYXBSUNZ-UHFFFAOYSA-N 439.464 2.839 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)cc1 13730689 NFLNZYLNKAQCCG-UHFFFAOYSA-N 439.541 2.674 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 14244298 QTXQWRNWSODHMR-ULQDDVLXSA-N 432.542 2.984 0 40 IFAB COC(=O)C1=NN(c2ccccc2)[C@]2(S1)N(C)C(c1ccc(OC)cc1)=NN2C(C)=O 15231045 CLMIDQFHOWLXPY-NRFANRHFSA-N 439.497 2.502 0 40 IFAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 15858456 JSBBZYYZVPBGIA-NSHDSACASA-N 435.889 2.863 0 40 IFAB COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(/C)C(=O)O)OC3=O 17176185 VDGOFNMYZYBUDT-JVUCOMACSA-N 432.469 2.871 0 40 IFAB biogenic,in-vitro COc1cc(C(=O)N2CCC[C@@H]([C@H](NC(C)=O)c3ccccn3)C2)cc(OC)c1OC 19020297 QPMHFQGZONBCRN-IERDGZPVSA-N 427.501 2.837 0 40 IFAB O=C1CC[C@@H](C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)N1 19341138 CFYFHPLLXXTRMT-IBGZPJMESA-N 432.459 2.585 0 40 IFAB Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)c2cn3cccc(C)c3n2)n1 19697187 IBVQWIFPGMLWSA-UHFFFAOYSA-N 428.496 2.644 0 40 IFAB COCCN1CCCC[C@@H](C2CCN(C(=O)c3ccnc(N4CCCC4)c3)CC2)C1=O 19743924 FARHWDMTEPVFEU-NRFANRHFSA-N 428.577 2.809 0 40 IFAB O=S(=O)(c1ccc(I)cc1)N1CCN=C1Cc1ccccc1 19874785 JURLYABFCZKBPY-UHFFFAOYSA-N 426.279 2.937 0 40 IFAB CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20140886 PQVFJSAIIGKSQK-QHCPKHFHSA-N 434.544 2.965 0 40 IFAB Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)C[C@@H](O)CC2 21981359 ABWPQNZPAOAQSG-KRWDZBQOSA-N 426.492 2.561 0 40 IFAB in-vitro COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 22521493 WAWVJTYZQHXDIX-INIZCTEOSA-N 442.541 2.660 0 40 IFAB CCOC(=O)Cn1c2c(c3ccccc31)CCN([C@@H]1CC(=O)N(c3ccccc3)C1=O)C2 22607629 CUIWJVMAZNWKFC-OAQYLSRUSA-N 431.492 2.895 0 40 IFAB O=C(NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc2ccccc2c1 23867099 HDZJOLDRUGPJPU-UHFFFAOYSA-N 429.520 2.849 0 40 IFAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1 25407142 NSWGNRSZOFUTCT-UHFFFAOYSA-N 448.545 2.713 0 40 IFAB COc1cccc2c([C@H](C(=O)O)N3CCN(c4ncc(Br)cn4)CC3)c[nH]c12 32103549 PSXPABOSNXRMHV-QGZVFWFLSA-N 446.305 2.677 0 40 IFAB Cc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1Cl 32615444 QOYXYSMSWFQMRW-UHFFFAOYSA-N 435.871 2.554 0 40 IFAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755441 VGYDYIRCBMYXHK-OAHLLOKOSA-N 433.555 2.779 0 40 IFAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 34888211 GMUNILHLTBEHKF-XAJRUKRBSA-N 449.532 2.888 0 40 IFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1 36673962 ITWHOOJXIPZJHQ-UHFFFAOYSA-N 445.585 2.661 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38855682 NYMZKFFEFDGROB-MGPUTAFESA-N 445.541 2.771 0 40 IFAB COc1cc(-c2ccccc2)sc1C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 40154284 UTTNCGVDGIVAMT-GJZGRUSLSA-N 438.571 2.593 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)cnc32)c1 40478149 PZJDJRGBWCLEFD-UHFFFAOYSA-N 438.875 2.645 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 58108602 YRZOLVNRTJRXNQ-JOCHJYFZSA-N 429.586 2.789 0 40 IFAB CCOC(=O)C1CCN(C(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)CC1 67237826 XPHTZTXICGWJIY-UHFFFAOYSA-N 434.562 2.583 0 40 IFAB C[C@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1(Cl)Cl 68901611 PHAQBVMJMPYUGK-CQSZACIVSA-N 427.737 2.883 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C(C)C)nn2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351845 LOXQWGBIMIRHKM-HSZRJFAPSA-N 446.555 2.766 0 40 IFAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3cccnc3)CC2)C1 72380150 PBSGRDBTOCBVFP-QFIPXVFZSA-N 448.567 2.758 0 40 IFAB O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 77099739 QYNXBRSHMJOOPD-UHFFFAOYSA-N 433.349 2.934 0 40 IFAB O=C(OC1CN(c2nc3ccccc3s2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 77101009 BVKLBLJPAGKRQH-HNNXBMFYSA-N 449.579 2.943 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]21 101168965 YPQAKBDAVJYAFS-MOPGFXCFSA-N 441.875 2.843 0 40 IFAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 104098021 MCQPKOPPHLQIDX-KFWWJZLASA-N 434.027 2.601 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1cccc(Br)c1 223640526 MITFSGWBLRYJRG-UHFFFAOYSA-N 441.347 2.548 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 225590203 OBTQFXHZKBQOLM-UHFFFAOYSA-N 437.562 2.517 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 408672709 ZPFGNKZEJIVGSO-BGYRXZFFSA-N 434.448 2.946 0 40 IFAB CN(C)[C@@H](CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 530601973 DCHIURZOAWBOFW-JTHBVZDNSA-N 430.980 2.879 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)c(C)c1 618255675 VRKNNJZEXRUIBY-QGZVFWFLSA-N 426.498 2.739 0 40 IFAB CS(=O)(=O)Nc1ccccc1CC(=O)O[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1116496008 NRSHHFUHJIRKKO-KRWDZBQOSA-N 440.880 2.742 0 40 IFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 1889019369 OFGQKNLTRCTACD-UHFFFAOYSA-N 446.486 2.977 0 40 IFAB COc1ccc(C)cc1NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1N 3542099 SUVWJCSBYUCYIU-KRWDZBQOSA-N 427.486 2.552 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1 8442018 DLZAUXADFWDGRL-PBHICJAKSA-N 431.562 2.541 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1CCC(c2ccccc2)=N1 8720529 LHGQXMJPQOJZOI-UHFFFAOYSA-N 444.582 2.985 0 40 IFAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC)cc1OC 8940389 PMQCFMDZDKXTHU-UHFFFAOYSA-N 430.534 2.817 0 40 IFAB COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 8988195 ARNZTKVMTJNAIB-UHFFFAOYSA-N 442.896 2.690 0 40 IFAB C[C@@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9110978 YKOKKAPTWNMNSN-GOSISDBHSA-N 429.524 2.796 0 40 IFAB O=c1cc(Cc2nnc(SCc3cccnc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1 9382103 PRUMHHHOAXHVGT-UHFFFAOYSA-N 426.889 2.575 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)c2ccccc2O1 9513038 HLHFDHCPMYJVQS-QFIPXVFZSA-N 427.464 2.633 0 40 IFAB CC(C)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Br)cc2)n(C)c1=O 9519001 PGIROUXUELIAAL-UHFFFAOYSA-N 432.322 2.857 0 40 IFAB COc1cccc(N2C[C@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)c1 9519954 CJYUQRUOUKZUHE-LJQANCHMSA-N 436.512 2.535 0 40 IFAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1C 9582904 GMJANNOUDQEGAS-UHFFFAOYSA-N 431.543 2.652 0 40 IFAB O=S(=O)(c1ccc(OCCOc2ccc(Br)cc2)cc1)N1CCOCC1 9641225 DPVHINNLXXVNRO-UHFFFAOYSA-N 442.331 2.928 0 40 IFAB CN1CCN(c2ccccc2NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 9670166 OUJNXAYISVTGLO-QFIPXVFZSA-N 442.585 2.620 0 40 IFAB CS(=O)(=O)NC1CCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)CC1 10044535 PAXBTAOZKSGYFN-UHFFFAOYSA-N 429.571 2.760 0 40 IFAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1 10201782 FAQGQJMQBKNYBA-WOJBJXKFSA-N 427.501 2.994 0 40 IFAB O=C(COC(=O)c1ccc(Br)o1)NC(=O)NC12CC3CC(CC(C3)C1)C2 10801399 FXCPXDKIQVVENJ-UHFFFAOYSA-N 425.279 2.994 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1OC 11695320 GEQLFMVDQJGNNW-UHFFFAOYSA-N 440.525 2.672 0 40 IFAB COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1OC 11697559 GIXYHJRBYQSFEA-UHFFFAOYSA-N 435.488 2.987 0 40 IFAB COc1cc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)ccc1OC(C)C 11770724 GUUJJYWUBHQUIE-KRWDZBQOSA-N 429.469 2.938 0 40 IFAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130140 ZWKNXPUYKVVKMZ-CVEARBPZSA-N 446.360 2.737 0 40 IFAB O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc2ccccc2s1 12468684 LVEBCMMZTJPJAG-UHFFFAOYSA-N 426.483 2.774 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C[C@@H](C)O1 12555326 JDKJZIBXOHSNAX-GASCZTMLSA-N 435.473 2.663 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 12734082 GAWOYVMHYOTEPX-UHFFFAOYSA-N 443.447 2.601 0 40 IFAB O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12780862 JIDJCWNFOACYBP-UHFFFAOYSA-N 434.499 2.845 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 13031591 KHDNHXRVTLMNDV-QGZVFWFLSA-N 426.542 2.607 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2cccc(O)c2)cc1 13573750 ZVKWZBOZIZDKEE-QFIPXVFZSA-N 433.464 2.540 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CCCC2=O)ccc1C 15421372 KIGHVPVFUWQKIN-UHFFFAOYSA-N 445.541 2.547 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@@H](C(C)C)N[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1 15968852 SWVRIMJCONVLAH-KSYXXAMZSA-N 433.508 2.580 0 40 IFAB biogenic CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2c[nH]nc2O)C1 19528895 CPEIKVMMKPGJJO-VWLOTQADSA-N 432.524 2.922 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccncc2)CCO1 19580807 IPVNEYXROZTPDG-RUZDIDTESA-N 430.508 2.686 0 40 IFAB CCc1nnsc1C(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19692699 ZGHKVJXYOCYATO-KRWDZBQOSA-N 442.520 2.976 0 40 IFAB O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccccn2)CC1 19699499 ZJDMPSKQRKHSPQ-UHFFFAOYSA-N 433.556 2.633 0 40 IFAB Cc1nc2ccc(NC(=O)c3ccc(=O)n(CC(=O)NCc4ccc(F)cc4)c3)cc2[nH]1 19749167 JGSPZPHNEQSNBP-UHFFFAOYSA-N 433.443 2.741 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1ccccc1 20283526 RLDDOENZNMXSGH-JOCHJYFZSA-N 438.503 2.819 0 40 IFAB Cc1ccc(Nc2nc(N)nc(COC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 21604673 ZRAHKQNMDIBLQJ-MRXNPFEDSA-N 432.484 2.911 0 40 IFAB CSc1nc2nc(C)c(CC(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)c(C)n2n1 22613179 YTEKVBSRGBCKJV-HNNXBMFYSA-N 439.541 2.917 0 40 IFAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1c(Cl)cccc1C(F)(F)F 23250906 XIPWBSHWQNMHFY-UHFFFAOYSA-N 432.874 2.537 0 40 IFAB O=C(CSc1nnnn1C1CCCC1)N1CCN(Cc2ccc(Cl)s2)CC1 23805038 DQZMIZDNAFLEAO-UHFFFAOYSA-N 426.999 2.940 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 24752778 RMQHSVREEPYWBG-QFIPXVFZSA-N 438.547 2.541 0 40 IFAB CCCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 27817643 ZWKXKCZWQCWYDJ-LLVKDONJSA-N 449.396 2.914 0 40 IFAB Cn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)NC[C@@H]1CCCc2ccccc21 29110342 DXMHUQKSKMTLBB-KRWDZBQOSA-N 427.526 2.947 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 30257744 SEWVZBCJKDOTAJ-OAHLLOKOSA-N 428.439 2.694 0 40 IFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 32081154 NRFFFBCOHUXJIO-LLVKDONJSA-N 428.388 2.944 0 40 IFAB CCOc1ccc(-c2nc(COC(=O)[C@H]3CCCN3S(C)(=O)=O)cs2)cc1OC 32724150 QGHKTSCOAWGRTO-OAHLLOKOSA-N 440.543 2.685 0 40 IFAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccsc2C(=O)OC)cc1 32760588 UMKHEPHADCBBLR-UHFFFAOYSA-N 448.522 2.878 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 35351357 ONQQOQNKAFBQKL-MOPGFXCFSA-N 434.521 2.931 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 35982197 FBMKXTHAWTXPIB-UHFFFAOYSA-N 438.347 2.638 0 40 IFAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(OC)cc1 36386928 KYCYQLZIPUKUKC-NRFANRHFSA-N 431.558 2.512 0 40 IFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48353935 GTJKZIDLYKXLON-RXVVDRJESA-N 448.995 2.757 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O 49410499 UXXHVCFTKIQSDO-UHFFFAOYSA-N 431.558 2.923 0 40 IFAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 57489815 ZXBMVMVUPWPSLJ-UHFFFAOYSA-N 435.461 2.890 0 40 IFAB Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)NCc2ccco2)c(=O)c1CCO 67301181 BXXRKKMBZBHMEG-UHFFFAOYSA-N 435.402 2.682 0 40 IFAB C[C@@H]1Cc2ccccc2N1CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 72045466 BMHPFMDTJIJYEX-CQSZACIVSA-N 444.329 2.742 0 40 IFAB CCOCCCNC(=O)c1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 72272893 SOEDYPWINSOTKR-BJLQDIEVSA-N 448.589 2.507 0 40 IFAB CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@]12Cc1ccccc1C(=O)N2 72334517 WZRFSZURPLAESU-RXFWQSSRSA-N 443.551 2.701 0 40 IFAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC1)CC2=O 72338869 NVNULBQAVAEJCL-PTUXOGIPSA-N 445.585 2.741 0 40 IFAB O=C(Cc1ccccc1)N1CCC(C(=O)N2CCC(O)(c3cccnc3F)CC2)CC1 72340034 YGRWULWLZGJCOC-UHFFFAOYSA-N 425.504 2.512 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1 72376353 IKBBBUDTRMLCIQ-MRXNPFEDSA-N 426.502 2.853 0 40 IFAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C[S@](=O)Cc2ccc(Br)cc2)C1 95435220 UOTIAQRGCTWGER-QMTYFTJSSA-N 443.407 2.709 0 40 IFAB NC(=O)[C@H]1CN(Cc2nnc(C3CCC3)o2)c2ccccc2N1Cc1nnc(C2CCC2)o1 95979969 KVYXTYBBTFFIEL-GOSISDBHSA-N 449.515 2.868 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3nccs3)C(=O)[C@@H]12 100568211 JGAMTRCHRAOMSO-FCNWNZSISA-N 444.123 2.909 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 102128346 JFNJOVQWOBZHIP-GASCZTMLSA-N 442.390 2.632 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 165680991 SAGOKZYJRUTVKU-NHUSPQTBSA-N 426.513 2.786 0 40 IFAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218096662 TXNPCUZOXBUYCO-KNKQGSTJSA-N 432.542 2.857 0 40 IFAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225095407 FEVGWAUVTKAVSU-QHAWAJNXSA-N 439.556 2.661 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1 240122519 WBGJNMCKNHGROJ-INIZCTEOSA-N 429.566 2.872 0 40 IFAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2ccc(-c3ccncc3)cc2F)CCOCC1 257227759 FQTJGBHWDKCHCP-LJQANCHMSA-N 432.517 2.530 0 40 IFAB CN(C)[C@H]1CC2(CCN(Cc3ccc(C(C)(C)C)cc3OCC(=O)O)CC2)OC[C@]1(C)O 257247215 IXZHMXYQDSSOHW-URXFXBBRSA-N 448.604 2.884 0 40 IFAB CN(C[C@]1(O)CCN(c2cccc3nccn23)C1)C(=O)c1ccc(CN2CCCC2)cc1 257304253 SKTDKJMKGMSASU-RUZDIDTESA-N 433.556 2.644 0 40 IFAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1 257334709 YHBTXIRPYSPJKY-AWEZNQCLSA-N 432.571 2.951 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 257338461 YXMRKNNRWZBMPB-GOSISDBHSA-N 445.476 2.525 0 40 IFAB CC(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)[C@H](c2ccc(OC(C)C)cc2)C1 257341456 ZKKGYOQMGBORDF-QHCPKHFHSA-N 439.560 2.506 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)c1 260812994 OAOQYEXHXWMUBN-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB COc1ccccc1-c1cc(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)n[nH]1 390830673 MPHMGLWKLXAUGM-UHFFFAOYSA-N 430.468 2.668 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 409393964 ZOHZGMFYEFFLEG-KRWDZBQOSA-N 446.569 2.852 0 40 IFAB N=C1Nc2nc3cc4c(cc3n2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1)OCCCO4 515598690 OJXRDIUFGHCTTB-HXUWFJFHSA-N 445.439 2.813 0 40 IFAB C[C@@]1(C2CCN(C(=O)c3ccc(N4CCc5ccccc5C4)cc3)CC2)NC(=O)NC1=O 530887729 ZAWDIHAJVIDRCQ-VWLOTQADSA-N 432.524 2.700 0 40 IFAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C)[C@H]3CCN(C4CCN(C)CC4)C3)n2)n1 601477906 MKSKNANGWJZPQN-SFHVURJKSA-N 430.984 2.778 0 40 IFAB Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c2ccsc2)n1 618255537 DYQXVDSIHLSRTJ-KRWDZBQOSA-N 432.527 2.574 0 40 IFAB COc1ccc(CC(=O)N2C[C@H]3CN(c4nccc(C(F)(F)F)n4)C[C@@H]3C2)cc1OC 1888869516 LGBTWVSTDFWEGT-GJZGRUSLSA-N 436.434 2.650 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)cc1 1345956 PAJKKAXGOKDDLG-UHFFFAOYSA-N 434.493 2.759 0 40 IFAB CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@@]12C(=O)N(C)c1ccccc12 2260286 BWRQZMQKTDCLCT-RUZDIDTESA-N 448.475 2.682 0 40 IFAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)c2ccccc2Br)c1 3428751 DAERETXUVROTNG-UHFFFAOYSA-N 432.303 2.782 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)NC(N)=O)nc3sc4c(c3c2=O)CCC4)cc1 3572749 MQDFMISXAJLEMQ-UHFFFAOYSA-N 444.538 2.622 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 4436157 JMHKDCTWTYLZNH-CYBMUJFWSA-N 432.527 2.739 0 40 IFAB Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1 8578959 IMKWRUJRAYNPEA-SSEXGKCCSA-N 427.570 2.648 0 40 IFAB Cc1sc2nc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)nc(N)c2c1C 8735207 PFIVIRUMRDBUSB-UHFFFAOYSA-N 435.550 2.536 0 40 IFAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 9063783 JKQAMSMGCHVDEL-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB CC(=O)Nc1ccc(C(=O)Cn2c(=O)n(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 9095717 DTIPFCWPRQGZSE-UHFFFAOYSA-N 449.488 2.881 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9283221 JFCPYSRGDWCYPX-HNNXBMFYSA-N 436.917 2.694 0 40 IFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCO3)o1 9701610 GLFSFCVEKHCFJO-UHFFFAOYSA-N 435.845 2.921 0 40 IFAB COc1cccc(C(=O)N2CCN(c3nc4c(S(C)(=O)=O)cccc4s3)CC2)c1 10337243 OSOAFSDTCDPUIP-UHFFFAOYSA-N 431.539 2.671 0 40 IFAB Cc1cc(=O)c(C(=O)NCCc2nnc3ccccn23)nn1-c1cccc(C(F)(F)F)c1 11546957 NAVLNPJPQQHMIH-UHFFFAOYSA-N 442.401 2.575 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1 11697140 RAUNWUHKVVAXKQ-UHFFFAOYSA-N 428.518 2.631 0 40 IFAB C[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 12476550 SGXZZQFEVWPVTI-MRVPVSSYSA-N 441.916 2.567 0 40 IFAB Cn1ccnc1[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 12575056 OEXHGOPVAUAZDD-OAQYLSRUSA-N 438.553 2.727 0 40 IFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1 12799829 KPTFPPHRZIDIEP-UHFFFAOYSA-N 440.543 2.809 0 40 IFAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCC(=O)Nc1ccccc1Br 12924813 UIJJVTBPDGXTKY-UHFFFAOYSA-N 438.709 2.977 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 15390800 IPYDLCZMWBJUOX-GOSISDBHSA-N 430.526 2.973 0 40 IFAB O=C(CC1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19014731 WWQSSMRHLADREB-NRFANRHFSA-N 428.577 2.941 0 40 IFAB COc1ccc([C@@H]2CN(C(C)=O)[C@H]3CCN(S(=O)(=O)c4cccc(F)c4)C[C@H]32)cc1 19019540 XOMLQLXRPCASGP-FKBYEOEOSA-N 432.517 2.859 0 40 IFAB O=C(c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3)N1CCSCC1 19372416 ZQPJYKKSQHWKRN-UHFFFAOYSA-N 434.565 2.644 0 40 IFAB O=C1NC[C@@H](C2CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)c2ccccc21 19374948 RZJNJOURBPKNAA-FQEVSTJZSA-N 431.496 2.830 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@@H](C)c3ccccc3)CC1)C2=O 19699361 WQPPDAJEXFSOEZ-SFHVURJKSA-N 426.561 2.578 0 40 IFAB Cn1cc(C(=O)N2CC[C@@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)ccc1=O 19705150 CSMVYOBEKJIEJB-QGZVFWFLSA-N 428.496 2.898 0 40 IFAB O=C(Nc1nccs1)c1cc([C@@H]2CN(C(=O)Cn3cccn3)CCO2)nc2ccccc12 19762175 WCXHWNGHXDYTQR-IBGZPJMESA-N 448.508 2.740 0 40 IFAB CCN(c1ccc(OCC(=O)NCc2ccccn2)cc1)S(=O)(=O)c1ccccc1 19937904 VLOINCKXSNNUHX-UHFFFAOYSA-N 425.510 2.992 0 40 IFAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1OC 20024700 ZNMRFWBKVWXHJF-CQSZACIVSA-N 436.530 2.890 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n([C@H](C)c2ccccc2)c1=O 20757526 CXGJFWDEGVAWEI-ASSNKEHSSA-N 432.480 2.577 0 40 IFAB biogenic O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22784747 UKUDJBGHTLCBRZ-CVDCTZTESA-N 437.565 2.897 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccc(OC)cc2)c2sc3nc(C)nn3c2O)CC1 23157305 RXWFWWMUXHWKKQ-MRXNPFEDSA-N 431.518 2.677 0 40 IFAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 25261140 JNZAEQUMORBIFL-APPDUMDISA-N 440.472 2.787 0 40 IFAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccccc2F)N1[C@H]1CCS(=O)(=O)C1 27757571 GNPQQZLMMFKCOK-YUNKPMOVSA-N 427.457 2.654 0 40 IFAB O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Cn2ccnc2)cc1 28695277 MFIBALJRFSUJIU-UHFFFAOYSA-N 427.302 2.740 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O 30851302 AZVMVFLVFBGXED-UHFFFAOYSA-N 442.541 2.580 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 30857752 KYZGLNWEIQQSCA-KRWDZBQOSA-N 426.542 2.960 0 40 IFAB COc1cccc(C(=O)N2CCN(CC(=O)N(C)Cc3c(F)cccc3Cl)CC2)c1 32761095 QZCUZJQEBFCPAX-UHFFFAOYSA-N 433.911 2.904 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@H]1c1ccco1 32776521 INWAIPXFPOTPSH-WMZOPIPTSA-N 446.843 2.651 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)C1=O 48361826 RZABDNFLVJVIAW-ROUUACIJSA-N 428.577 2.891 0 40 IFAB CC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccccc2)CC1 57671674 NRTHEGWIVIHCHB-NRFANRHFSA-N 440.573 2.686 0 40 IFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1 58412269 RCNDWDFKCLPBHL-UHFFFAOYSA-N 435.933 2.711 0 40 IFAB Cc1c(C(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cnn1-c1ccccc1 77192012 VHGYGNRQMFBANG-SFHVURJKSA-N 437.525 2.953 0 40 IFAB CCOCCOc1ccc(S(=O)(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)cc1 78808805 JQFPTYNKJAPCKC-HXUWFJFHSA-N 447.513 2.870 0 40 IFAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2c(c1)nc(C)n2CCCN(C)C 79464794 QNDNTTOYEMTHJJ-UHFFFAOYSA-N 434.548 2.922 0 40 IFAB COc1cc2ncn(CCCC(=O)OCc3ncn(-c4ccccc4)n3)c(=O)c2cc1OC 95457960 YJYNFBBTGABWJQ-UHFFFAOYSA-N 449.467 2.518 0 40 IFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 100759625 PZSBHXCUDDXJAN-QRVBRYPASA-N 442.313 2.993 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccc(F)cc1 101165675 KFQBDQSHXCEMRR-JKSUJKDBSA-N 446.236 2.520 0 40 IFAB O=C(N[C@H](CO)c1ccccc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101495746 CRVJKADYBFLZHF-PLMTUMEDSA-N 434.533 2.760 0 40 IFAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)s2)cc1F 103117893 BIVOPTAIZAAEHP-KODHJQJWSA-N 425.485 2.927 0 40 IFAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccc(Br)cc21 110045012 XLTNKIDOSAMUHD-XJKSGUPXSA-N 439.262 2.553 0 40 IFAB NC[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218239077 KABRPIILECQRPU-YESZJQIVSA-N 430.751 2.980 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 219221536 YKUVYWZZTKEUPR-UHFFFAOYSA-N 432.889 2.995 0 40 IFAB C[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 223868124 FQVPOLYTHYPQFX-LLVKDONJSA-N 430.935 2.606 0 40 IFAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OCC)cc1 224597133 JKKSQWCPCJUPAK-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB C[C@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1ccccc1F)S(C)(=O)=O 224630159 JDSZMUXHGJJGNP-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 224702027 NAYXOFQCNUWJBK-UHFFFAOYSA-N 446.554 2.704 0 40 IFAB O=S(=O)(Cc1ccc(Br)cc1)NCc1cccc(CN2CCOCC2)c1 224730550 GESWFBZEIJFXPM-UHFFFAOYSA-N 439.375 2.901 0 40 IFAB CCOc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1OCC 225085356 OZGUEOVLQWDWSV-UHFFFAOYSA-N 432.498 2.616 0 40 IFAB CCc1ncc(CN2CCO[C@@H](c3cc(CCOc4cccc(OC)c4)n(C)n3)C2)cn1 257277324 NXMXIYKKGASINY-HSZRJFAPSA-N 437.544 2.976 0 40 IFAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CN4CCOCC4)CC3)CO[C@H]21 257322064 WELPKIHYYVAWQL-SIKLNZKXSA-N 444.572 2.885 0 40 IFAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1cccc(N2CCCC2=O)c1 390828573 BFNIHJAFBKHXMF-QGZVFWFLSA-N 439.493 2.923 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 408626826 XOVJICRSBOAEFC-UHFFFAOYSA-N 428.514 2.537 0 40 IFAB COc1cccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c1 408969293 KYHMTFSMGAMSRP-UHFFFAOYSA-N 437.540 2.905 0 40 IFAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc3nc(N4C(=O)CCC4=O)sc3c2)C1 408973818 BYMOZINJIAPOIO-OAHLLOKOSA-N 442.541 2.670 0 40 IFAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(OCC)c2)C1=O 409208098 AVTHTXTXFNMGJH-YBEGLDIGSA-N 436.486 2.501 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 409392644 SMKUYJWAXGIJHJ-HNNXBMFYSA-N 432.498 2.772 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)C[C@@H](c1ccsc1)n1cccc1)[C@H](C(N)=O)C2 524731575 CLTIPNWMUFLWQO-OALUTQOASA-N 439.537 2.985 0 40 IFAB biogenic O=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148480 ITCPTZFJVVWVSV-UHFFFAOYSA-N 438.328 2.532 0 40 IFAB CC(=O)N[C@H]1C[C@@H](C(=O)O)N(CC(=O)Nc2cccc3c2CCCC3)[C@H]1c1ccccc1 585262110 GAOBFKPITDLLND-FIXSFTCYSA-N 435.524 2.909 0 40 IFAB Cc1cc2c(cc1S(=O)(=O)NC(=O)C1CCC(F)(F)CC1)O[C@H](C(C)C)C(=O)N2 585281949 VBFWCEBLXCLKDC-MRXNPFEDSA-N 430.473 2.981 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccccn3)CCO2)C1=O 643556810 OCZSIYIJQNBFMS-RUZDIDTESA-N 437.540 2.947 0 40 IFAB C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 1635824792 MVPDITDYPQTFMV-FATZIPQQSA-N 442.466 2.760 0 40 IFAB CC1(C)NC(=O)N(C[C@H](O)COc2cc3ccccc3cc2C(=O)N2CCCCC2)C1=O 2202962 KSACHZWXBFKHEO-SFHVURJKSA-N 439.512 2.536 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)N2CCc3ccccc32)C(C)C)c1 3292549 PCGAQKKWJWVLPY-QFIPXVFZSA-N 440.496 2.591 0 40 IFAB CCOC(=O)c1c(-c2ccccc2)n(S(C)(=O)=O)c2ccc(NS(C)(=O)=O)cc12 6142909 VZZLBYFQJULQQI-UHFFFAOYSA-N 436.511 2.664 0 40 IFAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 8917057 WXKXXMIFOMGKMB-AUUYWEPGSA-N 425.462 2.534 0 40 IFAB COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)cc1 9152091 DVRHQJGVUBMXOK-UHFFFAOYSA-N 430.511 2.631 0 40 IFAB CCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 9191000 VLIRQRLFCISIEE-GOSISDBHSA-N 433.526 2.932 0 40 IFAB CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)n1cnc2ccccc2c1=O 9448537 WVSOBYZAVVIGBC-KRWDZBQOSA-N 425.441 2.790 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@H]3C2=O)cc1Cl 9675007 MEBIIUQNHNSIKG-RTBURBONSA-N 441.875 2.897 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1OC 9852861 JGKJHNSZCJZUDN-UHFFFAOYSA-N 433.461 2.657 0 40 IFAB COC(=O)c1cc(NC(=S)N2CCN(c3ccccc3OC)CC2)cc(C(=O)OC)c1 9877213 RAZGMRIPSYCNQE-UHFFFAOYSA-N 443.525 2.787 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 10213436 LJYBNPVMCIEQQV-MRXNPFEDSA-N 448.541 2.792 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 10429668 NHYGGBWSTBVNKJ-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB Cc1ccc(-c2c(C)sc3nc(CN4CCC(NS(C)(=O)=O)CC4)[nH]c(=O)c23)cc1 11104599 JJUCJYNWGMHNSK-UHFFFAOYSA-N 446.598 2.782 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 12273928 VNQWYRUNHOQJCI-HXUWFJFHSA-N 431.514 2.836 0 40 IFAB COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 12549382 RMWKUVANUZHDGX-KDURUIRLSA-N 446.569 2.773 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 12624368 PUZOZZQWQMOSEJ-UHFFFAOYSA-N 429.420 2.971 0 40 IFAB COc1ccc(N[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 12644970 MRPZYRNJSBGAIG-OAHLLOKOSA-N 443.525 2.881 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2)C1 13057082 ACIMZKZQJAMAGT-HZPDHXFCSA-N 433.530 2.705 0 40 IFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14163533 ABCSOJCKOMWSJQ-XMMPIXPASA-N 434.496 2.999 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 14400549 NZDLABLFOHVLLV-UHFFFAOYSA-N 437.512 2.860 0 40 IFAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)C(C)C 14520400 YBSWUVNSBKLPKM-QFIPXVFZSA-N 439.560 2.625 0 40 IFAB O=C(C1CCOCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19014852 MNKZMZZUUXULJS-NRFANRHFSA-N 428.577 2.941 0 40 IFAB CCn1ncc(-c2cc(C(=O)N3CCC(c4ncccc4S(C)(=O)=O)CC3)on2)c1C 19524060 SQWQYFFRRIJPFB-UHFFFAOYSA-N 443.529 2.685 0 40 IFAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)s1 19560124 ADSZEBGAQMNASZ-KRWDZBQOSA-N 441.557 2.505 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 19591023 HQKQXKHNEDRXKT-MBSDFSHPSA-N 425.554 2.591 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1 19694966 QMGMLKPRLGBAHQ-FQEVSTJZSA-N 437.544 2.789 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706966 CILOWZQARDSYOH-IBGZPJMESA-N 439.535 2.719 0 40 IFAB CNc1ncc(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3scnc3C)CC2)cn1 19746407 QCKFULBOJZCDAA-QGZVFWFLSA-N 428.562 2.830 0 40 IFAB C[C@@H](NC(=O)c1cccn(CC(=O)NCc2ccccc2)c1=O)c1nc2ccccc2[nH]1 19751445 HSKGQWVMSIYJDY-MRXNPFEDSA-N 429.480 2.532 0 40 IFAB CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 20450952 KHMNOITVCYCBPQ-UHFFFAOYSA-N 439.597 2.606 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F 20732840 VOVOQNHZKKWNCL-GUYCJALGSA-N 442.463 2.779 0 40 IFAB Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 22607777 MZFWDOJAVRNBMJ-UHFFFAOYSA-N 445.571 2.848 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)Cn1nnc(-c3cccc(C(F)(F)F)c3)n1)OCO2 23531428 MKANRQLOSUGOBZ-UHFFFAOYSA-N 433.346 2.929 0 40 IFAB O=C(NCCCN1CCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 31253841 RYARBOGXXGADML-UHFFFAOYSA-N 445.560 2.795 0 40 IFAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 31668128 GDNDSNUWXCPQDM-HNNXBMFYSA-N 449.485 2.500 0 40 IFAB NC(=O)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2nc3ccccc3s2)c2ccccc21 32104333 ONBCQUSNPBYMNY-QFIPXVFZSA-N 444.476 2.592 0 40 IFAB Cc1cc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n2ncnc2c1 32853416 UUMUQNKFRUIXJG-UHFFFAOYSA-N 425.436 2.567 0 40 IFAB Cc1ccccc1CSCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38853091 QRXHXZVVSAHOTJ-FQEVSTJZSA-N 434.583 2.962 0 40 IFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCNc1ncnc2sccc12 48274916 FBWDYXIVMVLKSZ-UHFFFAOYSA-N 431.827 2.754 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 58144314 YAOHMCBUQAKYRN-XVTZWQNCSA-N 426.561 2.501 0 40 IFAB O=C1C[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)CN1Cc1cccc(C(F)(F)F)c1 59037339 SVMLPSXJFASRQI-LJQANCHMSA-N 446.473 2.793 0 40 IFAB CNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccccc3Br)nn2)cn1 62007168 GGJDKJYVYMDWOB-UHFFFAOYSA-N 447.318 2.515 0 40 IFAB CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1c(OC)cc(OC)cc1OC 72307834 YDPXIBMWXBQMKP-UHFFFAOYSA-N 429.926 2.875 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1nonc1C 72370350 QAJWDVTXMIDCIX-AWEZNQCLSA-N 428.514 2.816 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)nn2)n1 77197138 RUGLQTYXTHDSRC-UHFFFAOYSA-N 431.422 2.655 0 40 IFAB CS(=O)(=O)c1ccc(N(Cc2ccccc2)CC2(O)CCCC2)c(S(C)(=O)=O)c1 89490032 PVDAXZQGFLWXQB-UHFFFAOYSA-N 437.583 2.805 0 40 IFAB COc1cccc(NC(=O)N2CC[C@@H]3CN(Cc4cccnc4)S(=O)(=O)[C@@H]3CC2)c1 96145463 IQYQIKSZHGRHDL-YLJYHZDGSA-N 430.530 2.548 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@@]4(Br)[C@H](C2)N(C)CC[C@]341 96316408 DOUIIQXGCWGWBD-BQDHWQRKSA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro COC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccc(C)cc1 113877841 BWLLUAYAKDXIEJ-UHFFFAOYSA-N 445.278 2.968 0 40 IFAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC)S(C)(=O)=O)cc1 222942542 ZTHKERXQHMXTOC-NRFANRHFSA-N 445.585 2.568 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CCCN1CCOCC1 223169679 PYKSQRXWLFKGSS-DHIUTWEWSA-N 448.596 2.962 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)COc2ccccc2)s1 223918289 HKUXZBLJLMQWRM-AWEZNQCLSA-N 432.527 2.845 0 40 IFAB CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 225090595 USEOKGRXEMGBJH-UHFFFAOYSA-N 430.526 2.995 0 40 IFAB O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)C(F)(F)F)[C@](O)(c2ccc(F)cc2)N1 226538052 HBVOHZHYHIVVHP-HDMKZQKVSA-N 426.322 2.501 0 40 IFAB Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 257205798 BAOYYBLPIXYTIX-UGKGYDQZSA-N 441.503 2.688 0 40 IFAB Cc1cc(C)n(CCNC(=O)[C@]2(C)CCCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)n1 257262323 LKXWIBLYJXETMV-RUZDIDTESA-N 448.571 2.803 0 40 IFAB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 260838482 SCUGCWXQDOMBME-STQMWFEESA-N 440.468 2.768 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 306140485 UUTHQYLCAFLYSY-RCZVLFRGSA-N 435.524 2.614 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCn2ccnc2)C1 408700420 FTFOJDDPVBKIRO-IBGZPJMESA-N 448.589 2.622 0 40 IFAB CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408781783 DPNKJINELVAYHS-KRWDZBQOSA-N 434.558 2.852 0 40 IFAB COCCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)O)cc2Br)C1=O 409131809 YBHYYSQQAJTQCD-AWNIVKPZSA-N 446.275 2.604 0 40 IFAB O=C(CCC1CCCC1)N1CCC2(CCCCn3cc(nn3)COCCNC2=O)CC1 643564897 MCVDCOCAQKQYRE-UHFFFAOYSA-N 431.581 2.674 0 40 IFAB O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 1638315571 DHXMZPWJBQZGHU-YOEHRIQHSA-N 435.377 2.655 0 40 IFAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)ccc2OC)c1 909899 OGVYSPGTYDLASB-FQEVSTJZSA-N 427.457 2.988 0 40 IFAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(NS(=O)(=O)N(C)C)nc3N2)cc1 2399863 XODATGTZVGDIOF-ZWKOTPCHSA-N 428.518 2.651 0 40 IFAB COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2C(C)=O)C(C)C)cc1 3398202 NUHJENYUHXCJDB-NRFANRHFSA-N 426.469 2.834 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cc(C)ccc3OC)CC2)cc1 8752785 SCGATBQFGIZIDX-WUXMJOGZSA-N 444.553 2.949 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 8944436 ICBLDBUWFBKEJA-HOTGVXAUSA-N 447.532 2.636 0 40 IFAB O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCC(Cc2ccccc2)CC1 9412752 OTBHGVSDZSSVNM-UHFFFAOYSA-N 446.486 2.598 0 40 IFAB COc1ccc(OCCOC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1 9592016 NDJGLFOZBFUCBT-DEOSSOPVSA-N 436.464 2.759 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 9637059 RZTGLIOOBLQUQU-WMZHIEFXSA-N 437.521 2.854 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 10542008 IMCHIVXGXYEXQC-UHFFFAOYSA-N 448.516 2.741 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)CC1=O 13133825 LNGUHJDOQGOSFL-HNNXBMFYSA-N 448.483 2.611 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 13810001 ZFKRAQMLLKSJCD-MRCZTLKWSA-N 448.500 2.527 0 40 IFAB COc1ccc(CCNC(=O)CCn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1OC 14001207 STUQNPDPKBEWCW-UHFFFAOYSA-N 438.459 2.783 0 40 IFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)c(Cl)c2)C1=O 15858345 DLOUHOCTYFLYAU-OAHLLOKOSA-N 447.944 2.615 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)NC(=O)c3ccccc3N4)CC2=O)cc1 19533514 WEABJHBWXVUWFB-QGZVFWFLSA-N 448.523 2.612 0 40 IFAB Cc1noc2nc(C3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)CC3)cc(C(F)(F)F)c12 19564592 DKXYSMLLTQTKIR-LBPRGKRZSA-N 431.436 2.691 0 40 IFAB COc1cccc(-c2noc([C@@H]3CN(S(=O)(=O)CCOc4ccccc4)CCO3)n2)c1 19566785 SVQTXASPYAMLEB-IBGZPJMESA-N 445.497 2.527 0 40 IFAB COc1ccccc1C(=O)N1CCC(c2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 19697343 PGTYADRXXQCTDS-QGZVFWFLSA-N 437.544 2.517 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741609 BUEIYESCAOLEKW-NRFANRHFSA-N 449.599 2.965 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)CC1 19755223 PJSWWXAOUWSCMQ-JOCHJYFZSA-N 449.555 2.637 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19755691 FNFHAWFMIVXBJB-OAQYLSRUSA-N 438.528 2.562 0 40 IFAB COc1cc2cc(C(=O)N3CCCC[C@@H]3c3ncc(C(N)=O)c(C)n3)n(C)c2cc1OC 19764563 VXBOIAAWJNCHBX-MRXNPFEDSA-N 437.500 2.760 0 40 IFAB Cc1nc2c(C)cccn2c1CN1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 19765755 CGOMSAKDCUQLQG-UHFFFAOYSA-N 448.571 2.780 0 40 IFAB O=C(CSc1nc(=O)n([C@H]2CCS(=O)(=O)C2)c2c1CCC2)c1ccc(Cl)cc1 21800754 VHPMXWCLCHIIGO-AWEZNQCLSA-N 438.958 2.720 0 40 IFAB COc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1OC 22334183 QVRJQVKKLWTWAN-KRWDZBQOSA-N 448.541 2.888 0 40 IFAB C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 22915506 BULUQSAMOXKEFY-CQSZACIVSA-N 446.901 2.926 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2nc3ccccc3s2)CC1 23881872 NSFMOKQZAIDYDU-UHFFFAOYSA-N 433.537 2.810 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)N1CCN(c2cccc(Cl)c2)CC1 24598642 QAOQYIGJDXJLIN-UHFFFAOYSA-N 434.974 2.991 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 24710658 UBORAUNPBMKSQC-KRWDZBQOSA-N 436.464 2.874 0 40 IFAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(Br)cc1Cl 26819134 ALWVEZNXUOYVPO-NSHDSACASA-N 428.757 2.772 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3sc(C)c(C)c3c2=O)NC(=O)N[C@@H]1c1ccco1 27118839 STWRBEBXYQKXFV-MRXNPFEDSA-N 428.470 2.539 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)COc1ccc(F)cc1Br 28305550 NRVLDDJYQVYEND-NSHDSACASA-N 445.310 2.834 0 40 IFAB COCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 29017655 ALRBXLLEBUUDPW-UHFFFAOYSA-N 432.586 2.998 0 40 IFAB C[C@H]1CN(C(=O)C2CCN(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)C[C@@H](C)O1 31127784 CBRMCVVELFZARQ-IXDOHACOSA-N 431.533 2.576 0 40 IFAB CCN(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(OC)c1 32848061 KYRPFYYSDMHLJK-OAQYLSRUSA-N 431.558 2.941 0 40 IFAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(C)cs1 33396662 FKEZGRQKBMRKNK-UHFFFAOYSA-N 448.549 2.905 0 40 IFAB O=C(CN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2)NC1CCCC1 35289243 HRXFNLRQAWDSSQ-UHFFFAOYSA-N 443.525 2.545 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)cc3[nH]c1=O)N(S(C)(=O)=O)CC2 35314771 JZGZLFKJYABVJW-NRFANRHFSA-N 428.510 2.761 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[C@@H]1C 36476312 PULUHJFNAOMXCH-NUJGCVRESA-N 427.998 2.587 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@@H]1c1cccs1 36612255 UNBDQWSVGTVKJB-FCONWMNKSA-N 431.564 2.625 0 40 IFAB Cc1ccccc1C(=O)N[C@H](C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)C(C)C 40069384 DDJDZAOQYVEVEX-NRFANRHFSA-N 445.585 2.753 0 40 IFAB CCOc1ccccc1CNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44932006 ZRSZANNQPCCLLA-IBGZPJMESA-N 438.933 2.972 0 40 IFAB CCn1c(CN(C)Cc2cccc(OC)c2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 57292094 MQSCOCJTVOLJCP-UHFFFAOYSA-N 446.573 2.956 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 69071370 XROJDTZRVDESIG-UHFFFAOYSA-N 435.354 2.689 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC[C@H](C)C3)CC1)O2 72328006 LTILUIFHQLGOCN-HOOSLVGPSA-N 427.545 2.516 0 40 IFAB CCOC(=O)c1cccc(NC(=O)c2c(C)n[nH]c2S(=O)(=O)Nc2ccccc2)c1 72329897 HSMXBDBRRMQIQW-UHFFFAOYSA-N 428.470 2.948 0 40 IFAB Cc1c(C(=O)N2CCCC[C@@H]2Cc2c(C(=O)NCCO)sc3ccccc23)cnn1C 72370561 OOGCRDGJRQOLJS-MRXNPFEDSA-N 440.569 2.903 0 40 IFAB COc1ccc2cnn(CC(=O)Nc3nnc(C4CCCCC4)s3)c(=O)c2c1OC 79495274 NHQHVOWXEXCGIS-UHFFFAOYSA-N 429.502 2.952 0 40 IFAB O=C(CS(=O)(=O)c1cccc(Br)c1)NCC1([C@@H](O)c2ccccc2)CC1 84522086 HSLVGWKVUHRWRZ-SFHVURJKSA-N 438.343 2.853 0 40 IFAB O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 95481532 HRBKTQUEPKYOCC-HOTGVXAUSA-N 447.586 2.698 0 40 IFAB CCOC(=O)Cn1/c(=N/C(=O)CCc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100877388 ZXELWPJYJKNXFH-DQRAZIAOSA-N 446.550 2.730 0 40 IFAB CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101338825 KPOPCGXMTXIMLO-PCCBWWKXSA-N 443.613 2.628 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220241131 FCPKDHMUQGELJA-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)s2)cc1 223360540 QGKRFHKBQVRMLK-UHFFFAOYSA-N 432.527 2.614 0 40 IFAB COc1cccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 224009562 OLTFPTIYZWNFET-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2ccc(OCC)cc2)c1 224606375 ISKNDLOLMJORQT-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1)c1ccc(Cl)cc1Cl 225202537 VZAMKYBSZKUWDE-VIFPVBQESA-N 437.330 2.555 0 40 IFAB CCSc1nnc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)s1 225208878 LQJMGLBLZMCJSV-UHFFFAOYSA-N 429.593 2.518 0 40 IFAB COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(F)cc3F)CC2)cc1OC 225928020 ZCLVGQZJCPEOSC-UHFFFAOYSA-N 426.441 2.573 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CN(CC)S(=O)(=O)c3ccccc3)cc2)CC1 226053962 VYXBGEYQNFKGJI-UHFFFAOYSA-N 430.526 2.931 0 40 IFAB CCCCOc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)O)c3)C2)cc1 257252658 JVPOVYQDSAJOOY-NHCUHLMSSA-N 428.485 2.626 0 40 IFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306131633 KKPGPEYCTZFDGS-SQJMNOBHSA-N 444.539 2.913 0 40 IFAB COc1ccc(CN2CC[C@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 306143117 XTOYAZDHDAFPOQ-VXKWHMMOSA-N 449.642 2.773 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(=O)O)C2=O)cc1 409165614 AEZNPLPFMRFSFX-LICLKQGHSA-N 442.449 2.834 0 40 IFAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 534140389 SDYCZOWHKXJXBT-KDURUIRLSA-N 437.540 2.966 0 40 IFAB CS(=O)(=O)N1CCC(c2nnc3sc(COc4ccc(Cl)cc4)nn23)CC1 1501040362 LCEZAIHBMVGVEG-UHFFFAOYSA-N 427.939 2.557 0 40 IFAB O=C1CCCC[C@]2(CN(C(=O)[C@@H]3CN(c4ccccc4)CCO3)C[C@H]2c2ccccc2)N1 1848352611 YMXKKOQBEJUYLF-JCYRPKCISA-N 433.552 2.947 0 40 IFAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2OC)C1=O 2111121 ORWVEHQFKJGYIK-GBXCKJPGSA-N 433.508 2.898 0 40 IFAB biogenic COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 3254904 OCYNTYSZOFDURV-RMKNXTFCSA-N 431.441 2.925 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3358364 PPUYQDZWYBMIOA-UHFFFAOYSA-N 429.970 2.501 0 40 IFAB CN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 3520691 GKTFWMCSXAQUQT-QGZVFWFLSA-N 438.505 2.704 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1cccc[n+]1[O-] 4057800 UPVAMOSEJFBYAL-UHFFFAOYSA-N 433.530 2.685 0 40 IFAB COc1ccc(OC)c(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1 6444282 RUSCSCZXTAKRTL-UHFFFAOYSA-N 445.479 2.513 0 40 IFAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 6631645 VGSPJWBUOVOXLX-SFHVURJKSA-N 442.495 2.794 0 40 IFAB COc1ccc(COC(=O)NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 8672170 JHFNXCDNLOUMJV-UHFFFAOYSA-N 434.514 2.783 0 40 IFAB O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1)NCc1ccccc1 8680661 ZITZNSVPEILOKD-UHFFFAOYSA-N 426.498 2.800 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)CC2=O)cc1 8816458 IEAJXYLFATVKQL-HNNXBMFYSA-N 445.541 2.764 0 40 IFAB COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 8886852 BDLWWTCIAOLVEV-GDBMZVCRSA-N 432.550 2.656 0 40 IFAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)cc2)C1=O 8887285 XGKZQJNTXVMVRA-XMMPIXPASA-N 448.454 2.501 0 40 IFAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCn1nnc2ccccc2c1=O 9128243 YAOCNUWSVYTHOA-SFHVURJKSA-N 428.876 2.790 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCc3ccccc32)n1C 9263589 DBKMDANBKYDYQR-UHFFFAOYSA-N 437.525 2.686 0 40 IFAB COc1ccccc1CCNC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 9828697 SNUBFTDHISUOAA-UHFFFAOYSA-N 431.539 2.854 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 9974281 BISLAVWXFUUIGZ-KRWDZBQOSA-N 446.525 2.911 0 40 IFAB O=C(CSc1nc(CC2CCCC2)n[nH]1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11885869 BMELCRBDPSEIDK-QGZVFWFLSA-N 434.587 2.850 0 40 IFAB Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 12480402 VTHYDUCNKZSUDF-UHFFFAOYSA-N 436.491 2.880 0 40 IFAB O=S(=O)(c1ccc(Br)s1)N1CCN(Cn2cnc3ccccc32)CC1 12520054 QLHVZZIVTMQMRO-UHFFFAOYSA-N 441.376 2.824 0 40 IFAB O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccccc1Cl 12599057 BNYAXUIGIGKQMI-UHFFFAOYSA-N 427.885 2.551 0 40 IFAB Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)cc1 12810522 SJTJZKAPDMZRJT-UHFFFAOYSA-N 427.526 2.558 0 40 IFAB C[C@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 12989489 HSCQKJKMPDAPAZ-GOEBONIOSA-N 445.545 2.905 0 40 IFAB COc1ccccc1[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCCC1 13561736 IMQNQHMKGXPBNT-FQEVSTJZSA-N 427.530 2.607 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(C(F)(F)F)c2)cc1 13671281 VASTYHQLFJLGNP-UHFFFAOYSA-N 443.491 2.887 0 40 IFAB CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1 17198235 YMXSRSAVBVOOCH-UHFFFAOYSA-N 429.590 2.842 0 40 IFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17529611 HLESFNCQOJIQJE-FQEVSTJZSA-N 428.510 2.648 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2ccccn2)CCO1 19580764 YEFQYBVQTMLJJA-RUZDIDTESA-N 430.508 2.686 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)CCOc2ccccc2C)nc2c1CN(C(C)=O)CC2 19710875 JWLKLGZWMCTSOF-HXUWFJFHSA-N 437.544 2.864 0 40 IFAB Cn1cc(C(=O)N2CCC[C@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)ccc1=O 19743290 GHFYLZUEOFKOHY-KRWDZBQOSA-N 440.507 2.993 0 40 IFAB COCCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)C3)C1 19743813 HFQYOTHEEVBCGZ-SFHVURJKSA-N 438.528 2.625 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)ncc1C(=O)N1CCCCC1 19763263 ODOTZYMXBLGHJQ-GOSISDBHSA-N 449.555 2.608 0 40 IFAB CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22268593 MKNODAWZDOYUSD-NRFANRHFSA-N 448.585 2.826 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 22610338 MYGGRQNRLNPROZ-CYBMUJFWSA-N 445.907 2.733 0 40 IFAB O=C(C[C@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 22996984 KUEZZGLJBFUHFY-NRFANRHFSA-N 426.517 2.524 0 40 IFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134201 IRWBKNCNIGGCFR-UHFFFAOYSA-N 440.935 2.818 0 40 IFAB O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CN1CCN(CCOc2ccccc2)CC1 23258020 JBODALILMHIUFN-AREMUKBSSA-N 448.567 2.814 0 40 IFAB COC(=O)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 32100746 CDCKLNULYAUGES-UHFFFAOYSA-N 425.416 2.503 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(C)C)C2=O)o1 34718873 DXCACAKTYLBATN-DHDCSXOGSA-N 429.385 2.855 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 36397130 FDUAKCIKOGHYFJ-GOSISDBHSA-N 429.586 2.615 0 40 IFAB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccccc1Cl 40059961 FMPSDZVVPDFSBV-UHFFFAOYSA-N 437.949 2.974 0 40 IFAB C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 48273527 JULDTFXDRUHXBK-INIZCTEOSA-N 425.514 2.574 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 58137118 SHKBEPIEEYOGDT-NRFANRHFSA-N 441.553 2.697 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)N(CCO)Cc2ccccc2Br)C1=O 58159904 HVXBXLFHAXPDDD-OAHLLOKOSA-N 447.329 2.974 0 40 IFAB COc1cccc(-n2ccn3c(SCC(=O)Nc4cccc(F)c4)nnc3c2=O)c1 64593718 GBQLOTLTMMVGHV-UHFFFAOYSA-N 425.445 2.759 0 40 IFAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCCN12)Nc1ccccc1C(F)(F)F 72342133 UWIDLNWAZJSIQG-UHFFFAOYSA-N 442.401 2.662 0 40 IFAB CNc1nc(C2CCN(C(=O)c3ccc(COC)cc3)CC2)nc2c1CCN(C(C)=O)C2 72372409 LOFLUYGVZCVJDN-UHFFFAOYSA-N 437.544 2.589 0 40 IFAB COc1ccc(CNC(=O)C(=O)N[C@@H]2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 101485121 PZQBPVXHRHKMEU-QFIPXVFZSA-N 429.476 2.716 0 40 IFAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 101751339 FITTZZZYRAYFKR-KRWDZBQOSA-N 425.485 2.951 0 40 IFAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 102548657 IKBUZJDGSJVNQY-NWCWSAAOSA-N 434.414 2.991 0 40 IFAB CCn1c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nnc1-c1ccccc1O 105938211 GBHWRMNDGYEBMN-UHFFFAOYSA-N 438.513 2.592 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CCCN1CCOCC1 223169796 PYKSQRXWLFKGSS-PKTZIBPZSA-N 448.596 2.962 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)s2)cc1 223388806 SHRRQWPPCNNQNR-UHFFFAOYSA-N 449.533 2.904 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)s2)cc1 223930529 UQGIFBPBVDUTCB-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224673006 KTHANWVBRCXSIM-UHFFFAOYSA-N 444.601 2.845 0 40 IFAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc21 225177399 LDWQBOCWNWZNCC-UHFFFAOYSA-N 426.541 2.848 0 40 IFAB O=C(NC[C@@H](CO)Cc1ccccc1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 502807254 FRCYGWPXZOGDPI-GHTZIAJQSA-N 426.517 2.960 0 40 IFAB O=c1n(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)nc(-c2ccccc2)n1C1CC1 585199002 HXZKUQWNFCEJFL-UHFFFAOYSA-N 436.896 2.818 0 40 IFAB Cc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)n2ncnc2n1 618256804 XJBXZEJCMJIPQE-UHFFFAOYSA-N 447.826 2.557 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1 1888921693 IJSAXEKPTHHTKH-QGZVFWFLSA-N 427.530 2.584 0 40 IFAB CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2CC)S[C@@H](C)C3)s1 4115485 GPRJQOQOYLDMRI-QMMMGPOBSA-N 429.618 2.994 0 40 IFAB CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6500988 JNFGJINYNSQLGW-AWEZNQCLSA-N 431.562 2.863 0 40 IFAB CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1 6501322 JNFGJINYNSQLGW-CQSZACIVSA-N 431.562 2.863 0 40 IFAB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9070613 VSDZQUZKNFIAQN-SECBINFHSA-N 426.416 2.954 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NCC(=O)N2CCc3ccccc32)c1 9368534 USUBUVSTAQVEBB-UHFFFAOYSA-N 430.574 2.784 0 40 IFAB Nn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1-c1cccs1 9464956 BCNNHWZOJLHSPG-UHFFFAOYSA-N 435.332 2.783 0 40 IFAB COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1C 9579170 NPELAWHHDFMWCJ-QHCPKHFHSA-N 425.485 2.554 0 40 IFAB Nc1c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1 9712729 WYJXEMVROHUYLT-UHFFFAOYSA-N 433.493 2.768 0 40 IFAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)OCc1cc(=O)n(C)c(=O)n1C 11217988 SYSYBRQCDJUJCI-UHFFFAOYSA-N 449.463 2.778 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1cc2ccccc2oc1=O 11693861 FFXUISKQDSEDPE-UHFFFAOYSA-N 445.410 2.846 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3cccc(F)c3)CC1)NC2=O 12086534 HOMWIRYWIBSCBL-FYSMJZIKSA-N 438.503 2.703 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCc1cccc(Cl)c1 12086595 CGXYGVSOGIOKIO-QHCPKHFHSA-N 441.915 2.530 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)ccc2O)c1 12311748 JWWJYKHVLCOLJS-UHFFFAOYSA-N 447.296 2.745 0 40 IFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1OC 12986207 GQVSZTNPVPDJRT-UHFFFAOYSA-N 431.920 2.683 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccc(C)cc2)Oc2ccccc21 13678867 CORHEGILVKEAQQ-FQEVSTJZSA-N 434.583 2.962 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)CC1 14906264 QAEPPNKBKNNZKD-UHFFFAOYSA-N 443.447 2.774 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 15617646 UBDLUCDVZVHZFT-QGZVFWFLSA-N 442.603 2.697 0 40 IFAB Cc1cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OCC(C)C)ccc1I 18193985 HGPAQNYSHOEDER-DZGCQCFKSA-N 446.285 2.766 0 40 IFAB COc1c(C)cccc1C(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692987 MKCMTKPGHYJTTK-IBGZPJMESA-N 434.500 2.530 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 19932745 OHAVQXVMMLFKQP-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(C(C)=O)cc4)c(=O)c23)CO1 20100279 MOSZJAVPHSWNFL-OAQYLSRUSA-N 426.498 2.936 0 40 IFAB O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(NC(=O)NCc2ccco2)cc1 21209149 HKBWFARNDQRPAI-UHFFFAOYSA-N 448.526 2.970 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 21530108 GYPDPINISAYCJM-UHFFFAOYSA-N 431.495 2.549 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1OC(F)F 24749547 FEQARTSUTNWPHV-XVNBXDOJSA-N 433.367 2.661 0 40 IFAB Cc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1-c1ccc(Br)cc1 25344153 SPNZCUMLPOUOCW-UHFFFAOYSA-N 427.306 2.696 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 29322458 RNZRCUGWZLYMEM-UHFFFAOYSA-N 445.463 2.534 0 40 IFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC(=O)N3)C1=O 32328147 BSVMJOPYGBURAG-JOCHJYFZSA-N 427.407 2.890 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 32915290 XXEIBBNJIFXSJD-MRXNPFEDSA-N 447.601 2.546 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)o1 35597430 FYBRNCYSWYMOPS-ZDUSSCGKSA-N 434.392 2.888 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@@H](C(C)C)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 43743406 YRMOPAGMKRTMFB-KWALNSLNSA-N 447.535 2.889 0 40 IFAB biogenic COc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 44903893 MQSKQXBLPZHIGR-UHFFFAOYSA-N 446.447 2.805 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 44911947 CBHVQQSXMCAXME-IBGZPJMESA-N 432.498 2.646 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)c(C)c1 56997697 BTOSYLMSTWDKSN-UHFFFAOYSA-N 448.564 2.583 0 40 IFAB CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 67896662 PFXVGWJYWLVIOO-XMSQKQJNSA-N 426.469 2.584 0 40 IFAB biogenic,in-vitro C[C@@H](Cn1cncn1)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 84647116 KHJUSQXTMMXQIE-AWEZNQCLSA-N 446.577 2.537 0 40 IFAB CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@@H]12 96299589 CCJUYJPNWLJZOB-IBSUQTTCSA-N 435.499 2.817 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@@]4(Br)[C@H](C2)N(C)CC[C@]341 96316407 DOUIIQXGCWGWBD-AKJHWKIKSA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)C1 100115438 IDBTUGPLJHENMR-AJHZIAPWSA-N 439.556 2.945 0 40 IFAB COc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941016 YXYOGBASPKWTRE-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218157271 KFEZPHKSZLBFFM-XQBPLPMBSA-N 446.525 2.577 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)cc1OC 222571576 AIAFIRCIPCRMPV-GOSISDBHSA-N 432.542 2.729 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 223517886 CZDGYSRERSQXFT-GOSISDBHSA-N 445.585 2.568 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224768327 QDJAPMLYYDRIEY-NRSPTQNISA-N 439.556 2.580 0 40 IFAB COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224827528 XCMFIFFWVOSHDB-UHFFFAOYSA-N 431.388 2.845 0 40 IFAB COc1cccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)c1 257219576 DHHPBHLSQSAJCP-DGWZTRNLSA-N 438.568 2.999 0 40 IFAB CN1CCN(Cc2cccc(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)CC1 257268501 MLYLAJZFQNEBDB-UHFFFAOYSA-N 441.475 2.572 0 40 IFAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NC4Cc5ccccc5C4)[C@H](O)[C@@]3(O)[C@@H]1C2 257275384 NPDMMMHTZSNGSY-DHDRLQIASA-N 435.520 2.881 0 40 IFAB COc1ccccc1[C@@H]1CN(CC(=O)Nc2ccnn2C2CCCC2)CCN1C(C)=O 257286166 PKOCOIPJRRGYJG-FQEVSTJZSA-N 425.533 2.851 0 40 IFAB CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cccc(OC)c3OC)C2)nc1C 257302166 SBTOUBJNJOBGPQ-QGZVFWFLSA-N 440.544 2.809 0 40 IFAB Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1 408593633 MVYITMQPGFGSLD-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 408654041 JEZAOAMWSHLODI-INIZCTEOSA-N 442.443 2.926 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 408654401 BMWCUXMTRFSFPC-RZTYQLBFSA-N 446.459 2.802 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCOCC1 408693550 ZPUBIUGLIDZRQT-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB CC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408781785 DPNKJINELVAYHS-QGZVFWFLSA-N 434.558 2.852 0 40 IFAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)n1 409210365 KBCLODGRLLAWCX-CPNJWEJPSA-N 438.509 2.902 0 40 IFAB CCn1ccnc1[C@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)C1CCOCC1 506559241 BFSGMBMWGMZTAB-HXUWFJFHSA-N 425.533 2.538 0 40 IFAB CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 514289399 KCMUUVKYKQDSHF-IRLDBZIGSA-N 435.505 2.655 0 40 IFAB biogenic,in-vitro O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CCN([C@@H]2CCSC2)CC1 553314303 FILGYBVEYANNPX-HXUWFJFHSA-N 437.569 2.700 0 40 IFAB CN(C)CCOc1cccc(CN2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)c1 585284699 ZAVAEJFTWZCLJI-HSZRJFAPSA-N 436.499 2.548 0 40 IFAB CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)C1 673186148 GBPUSZVETQNIPT-HAGHYFMRSA-N 432.528 2.789 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc(-n4cccn4)cc3)n(C)n2)c1 1889005464 SPSRDLHHSMPLIH-JOCHJYFZSA-N 447.495 2.753 0 40 IFAB O=C(Cc1ccccc1)N1CCC(c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)CC1 1324810 GZTHHWPANWSOBV-UHFFFAOYSA-N 446.486 2.651 0 40 IFAB O=C(C1CCC1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334683 AONZOJJZWIFUMG-HNNXBMFYSA-N 426.908 2.722 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccs3)n2N)c1 3341281 OZZMRFINNVDYDS-UHFFFAOYSA-N 443.963 2.508 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccccc1 3430571 YMJPVJDQFNRTBY-HNNXBMFYSA-N 428.466 2.942 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O 3519340 HHQCBPFGEGDBPL-SFHVURJKSA-N 449.248 2.697 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 9097225 LXONDWZHUJDUIT-UHFFFAOYSA-N 449.485 2.526 0 40 IFAB CCCn1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c2ccccc2c1=O 9130860 KUZONVHECZHKEA-UHFFFAOYSA-N 445.483 2.983 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 9288779 MVKJCGJYRJREOY-QGZVFWFLSA-N 437.496 2.549 0 40 IFAB COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC 9291811 ZQYFANJABMELKC-LJQANCHMSA-N 425.437 2.665 0 40 IFAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 9451418 UPGHJCOWZRPGST-ZDUSSCGKSA-N 426.926 2.930 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cccs2)CC1 9460274 JJZZYGWZMJORKZ-QGZVFWFLSA-N 431.583 2.584 0 40 IFAB Nc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 9518195 HHXUOGHSAPJANV-UHFFFAOYSA-N 449.414 2.753 0 40 IFAB Cn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccc(Cl)cc1 9540356 NSKAWPVRJXQHHO-UHFFFAOYSA-N 437.934 2.514 0 40 IFAB O=S(=O)(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(Br)cc1 9571188 BCFPZRFJZCHEHJ-UHFFFAOYSA-N 428.699 2.557 0 40 IFAB COc1cc(OC)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9646194 JEGDMUPXDCJXTE-OAHLLOKOSA-N 434.514 2.894 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 9699453 OSJKCUUDLOJGFM-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB CCCn1nc(C(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)ccc1=O 9913903 WRWYDCZFAUAIDX-UHFFFAOYSA-N 430.505 2.540 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 10218052 QPMRCXAWJNTSSR-UHFFFAOYSA-N 444.553 2.834 0 40 IFAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCc1cc(=O)n(C)c(=O)n1C 11311904 NRPLNJXMEJCOIH-INIZCTEOSA-N 447.841 2.936 0 40 IFAB C[C@H]1CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc23)CCO1 11495690 PHPPHGHZTXQJSW-ZDUSSCGKSA-N 445.472 2.741 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@H](C)C(=O)NCc3cccs3)CC1)O2 12086655 VSNVQCORJCUTMY-MWTRTKDXSA-N 441.553 2.635 0 40 IFAB CCOC(=O)[C@H]1CCCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)C1 12182737 WDHLYEGPKPNJDG-YTQUADARSA-N 446.548 2.662 0 40 IFAB COc1cccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 12388836 CHLXXYQDTALRRI-RTBURBONSA-N 439.961 2.778 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1 12536125 KFSDHYSRGOHMCD-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 12631082 WXGPBWASBYTIMY-OAHLLOKOSA-N 441.509 2.738 0 40 IFAB CC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)cc1 13576325 QIFBZVGJZKBMBL-QZEKMECESA-N 438.461 2.893 0 40 IFAB CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 15671865 GVBPIOJXCQAVSP-FGZHOGPDSA-N 425.529 2.939 0 40 IFAB biogenic,in-vitro COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 16920403 YCOGZFMXRHYUNV-PXNMLYILSA-N 428.422 2.774 0 40 IFAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(C)c2)cc1 17123048 YTEXSGIUTNPVQZ-UHFFFAOYSA-N 435.509 2.844 0 40 IFAB Cc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@H]2C)c1 19235129 JJZWQJXLFLTGNE-NTKDMRAZSA-N 443.613 2.951 0 40 IFAB CCN1CCN([C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527962 YOPUJLCMFGLDBP-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB Cc1nc2ccccc2c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 19620909 ZGLGDSDMKOUOIW-AWEZNQCLSA-N 427.482 2.683 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)CCc1ccc(Cl)cc1)C2 19701430 FVFLJGNEGXNZGF-HXUWFJFHSA-N 437.931 2.844 0 40 IFAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 19741388 KENFVFCKLIIICE-SFHVURJKSA-N 432.521 2.890 0 40 IFAB Cc1cc(NC(=O)Cn2cc(C(=O)N(C)Cc3ccc4ncccc4c3)ccc2=O)no1 19750981 CNJSOHXMVATXMV-UHFFFAOYSA-N 431.452 2.604 0 40 IFAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 20483107 JQBRIWJIXSXZRB-GOSISDBHSA-N 448.541 2.821 0 40 IFAB COc1ccc(-c2c(C)oc3cc(OCCN4CCN(CCO)CC4)ccc3c2=O)cc1 20622406 GNFQMNVOSIZUSZ-UHFFFAOYSA-N 438.524 2.766 0 40 IFAB biogenic C[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 21123924 DKELPWZNKYWWJS-INIZCTEOSA-N 438.546 2.548 0 40 IFAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)NCc1ccccc1CN1CCOCC1 21729981 YCLURNIWDOIWAU-VAWYXSNFSA-N 445.519 2.940 0 40 IFAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCc2cccnc2)cc1 22231022 IEFPFJXBAZWOSM-UHFFFAOYSA-N 425.510 2.743 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22388832 UFBTUQOEVCUVOQ-UHFFFAOYSA-N 434.514 2.974 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1C 22533699 KCIGNAIKMFJKAA-KRWDZBQOSA-N 438.889 2.601 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 22703897 ARXJZSYVIYFCIB-FQEVSTJZSA-N 448.541 2.606 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCCc3cc(F)c(F)cc32)C1=O 26344051 HQOWVFZSPXRIPX-QFIPXVFZSA-N 428.439 2.606 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 28196271 HTCTZSAQQSVMPD-UHFFFAOYSA-N 440.543 2.613 0 40 IFAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H](C)C(=O)N2CCOCC2)c1 28673578 AJWDSTSSOWZZTB-QGZVFWFLSA-N 435.480 2.952 0 40 IFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1N1CCN(CC)CC1 32679027 NPEZOSPJTCXTOI-UHFFFAOYSA-N 446.573 2.986 0 40 IFAB COc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)c(OC)c1 35597336 YNOFTTMCIOSNMJ-UHFFFAOYSA-N 437.504 2.650 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CCn3nc(-c4ccccc4)ccc3=O)CC2)cc1 41251831 LEDHUBWQGSJSBZ-UHFFFAOYSA-N 430.508 2.852 0 40 IFAB Cc1ccc(-c2csc3ncnc(N4CCN([C@H]5CCS(=O)(=O)C5)CC4)c23)cc1 57509225 ARJQUUBLYFLEOL-KRWDZBQOSA-N 428.583 2.976 0 40 IFAB CCOC(=O)c1c(NC(=O)CN(C)c2ccc(F)c(F)c2)sc(C(=O)NC)c1C 58157831 URDBRPYRQQYHLQ-UHFFFAOYSA-N 425.457 2.946 0 40 IFAB CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 58195386 PKOZUROUEBNCHX-IRXDYDNUSA-N 445.589 2.911 0 40 IFAB O=C(C[S@@](=O)Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccco2)CC1 58215654 OBQSYMZYHLSUJV-HHHXNRCGSA-N 429.325 2.820 0 40 IFAB O=C1CCc2cc(S(=O)(=O)N3CCCC[C@H]3CNC(=O)Nc3ccccc3)ccc2N1 58680309 JHTAQDNTAZNRFL-SFHVURJKSA-N 442.541 2.936 0 40 IFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC 67286470 IGRUNOWHTWEOHL-LJQANCHMSA-N 447.532 2.760 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 71328275 YFQVOYNMFHTEBH-UHFFFAOYSA-N 435.440 2.719 0 40 IFAB COc1cc(OC)c2cc(CCCNC(=O)[C@@H]3CSCN3C(=O)C3CCC3)[nH]c2c1 79057516 STGAJHNUDRJDJZ-IBGZPJMESA-N 431.558 2.936 0 40 IFAB O=C(OC[C@@H]1CN(Cc2ccccc2)C[C@@H]1COC(=O)C1CCOCC1)C1CCOCC1 89834852 YVRXWIBPAUYXMU-ZRZAMGCNSA-N 445.556 2.674 0 40 IFAB O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 89878923 UCESOWYGAHUVNG-MRXNPFEDSA-N 446.429 2.872 0 40 IFAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 95373568 XZNCJTBBUSIQRW-HXUWFJFHSA-N 441.894 2.649 0 40 IFAB CCc1c/c(=N\S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)c2ccccc2[nH]1 95995726 KHVSWEDMJGUNMQ-UHFFFAOYSA-N 430.482 2.824 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)CC(F)(F)F)C2=O)cc(OC)c1OC 98004376 QEERGXKGLJMKIK-MDWZMJQESA-N 448.419 2.817 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5cccc(C)c5)no4)[C@H]3C2=O)cc1OC 101271720 AXOPBPFEGRIBNL-RBUKOAKNSA-N 448.439 2.556 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 113938693 GUAMCIXQDYBYOC-JOCHJYFZSA-N 438.505 2.968 0 40 IFAB COc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1OC 207984212 LXOLFQXVBNPLTE-GOSISDBHSA-N 436.505 2.991 0 40 IFAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218157214 KFEZPHKSZLBFFM-DXIQSLLYSA-N 446.525 2.577 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 219260719 ZEDQAJXOCWCOOH-INIZCTEOSA-N 446.554 2.857 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 223046594 XOTTYFMOYXYCJH-UHFFFAOYSA-N 445.560 2.892 0 40 IFAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)c(C)c1 223451398 XDEWNBCFTNZIEK-SFHVURJKSA-N 448.541 2.808 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)cc1 225563310 HORBVCFXUWDPFV-UHFFFAOYSA-N 437.422 2.680 0 40 IFAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4c(C)cc(C)nc4=O)C3)o2)c1 257297048 RFOOWZOEXOZMOA-LJQANCHMSA-N 436.512 2.854 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(Cc4ccccn4)C[C@H]3c3cccnc3)C2=O)cc1 306138708 SEWGFURLIKUMSB-AHWVRZQESA-N 444.535 2.882 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408598103 ZVBMDYDUOJNOLJ-ZGBFETHSSA-N 427.570 2.519 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 408630325 RWGLQCGDGQHVFT-UHFFFAOYSA-N 433.530 2.582 0 40 IFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)c1ccc(OC(=O)c2cccs2)cc1 408656337 HPIPZTZYBPCXIH-NMIJRNLDSA-N 426.446 2.891 0 40 IFAB Cc1ccc(S(=O)(=O)C2=NNc3c(-c4ccc(Cl)cc4)cnn3[C@]23C=CNN3)cc1 1548338303 DPIUUFCNZUQXLW-HXUWFJFHSA-N 440.916 2.999 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889224545 ZVWSZMNKACVLPY-WMLDXEAASA-N 439.459 2.935 0 40 IFAB Cc1cc(C)n2nc(C(=O)N3CC[C@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@H]43)nc2n1 2087154446 YSQYOGPFLJUEGD-DZGCQCFKSA-N 431.422 2.506 0 40 IFAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)ccc1OCC(N)=O 814175 QDQOPXNKNUIZPF-NRFANRHFSA-N 438.484 2.524 0 40 IFAB CCN(CC)C(=O)Cn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 937715 NQANMPFIBUYYNG-UHFFFAOYSA-N 428.514 2.896 0 40 IFAB CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(C(=O)OC)cc3)N2C1=O 2247694 GJVSZPHCDCMKTK-NVXWUHKLSA-N 432.498 2.702 0 40 IFAB CCOC(=O)c1sc2nc(CSc3nnc(-c4ccncc4)n3C)[nH]c(=O)c2c1C 3444392 XJKFGBWNVSNTEV-UHFFFAOYSA-N 442.526 2.953 0 40 IFAB CC[C@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 4115440 IUCHXVAMUWGYHD-GBXCKJPGSA-N 429.561 2.652 0 40 IFAB C[C@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791817 LSLXTBQKBXEZKX-KDURUIRLSA-N 448.567 2.925 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCc4ccccc43)s2)cc1 8588096 YPMRUCJTVHPZCN-UHFFFAOYSA-N 430.511 2.941 0 40 IFAB Cc1[nH]c(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)c1C(=O)OC(C)C 8745198 JLKBYDZKQMJBIA-CYBMUJFWSA-N 430.457 2.960 0 40 IFAB Cc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2C)cc1C 8755227 RZQRCJSXFRMWGS-CYBMUJFWSA-N 425.576 2.774 0 40 IFAB COc1cc(C)c(CN2CCN(C(=O)COc3cc(C)ccc3C(=O)O)CC2)cc1OC 8877235 LFTUREXMLOADLN-UHFFFAOYSA-N 442.512 2.742 0 40 IFAB CC(=O)Nc1ccc2c(c1)C[C@@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@H]1CCCCCN21 8971341 LYSINHHYCTYTIN-JPYJTQIMSA-N 426.517 2.813 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1-c1ccco1 9390589 ZGAILMOENOATDR-UHFFFAOYSA-N 447.542 2.590 0 40 IFAB CCCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2cc(C(=O)OC)ccc2c1=O 9398027 GZTUGYIMFUKECH-ZBFHGGJFSA-N 447.557 2.759 0 40 IFAB Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCc4ccccc43)[nH]c2=O)cc1 9518123 XEEFZJPCHVCAKM-UHFFFAOYSA-N 435.509 2.594 0 40 IFAB COC(=O)c1ccc(CSc2nc(N)c(NC(=O)c3ccc(F)c(F)c3)c(=O)[nH]2)o1 9518210 QCSSHWFIAYQTKV-UHFFFAOYSA-N 436.396 2.555 0 40 IFAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCCCC2)c2ccccc21)N1CCCCCC1 9519783 RLVGMAFMZLWHJO-UHFFFAOYSA-N 445.585 2.830 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 9608493 ATAILWRYOSXJJM-OYLFLEFRSA-N 435.480 2.593 0 40 IFAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 9635075 BZHLSAOEZBCERD-UHFFFAOYSA-N 439.537 2.819 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 9661071 QUTJKWWJNWRFFY-UHFFFAOYSA-N 431.448 2.520 0 40 IFAB CCOc1ccccc1OCCCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9666677 PWKULPFHYWBCLT-UHFFFAOYSA-N 448.541 2.904 0 40 IFAB Cc1cc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 9672699 DKWCSEGHEGZSTA-IRXDYDNUSA-N 434.583 2.830 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(Cl)c4)nc32)c(OC)c1 9739194 SIDCRPZANRTAJF-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1ccc(F)cc1 9761664 MFTYLHZZGINEQF-UHFFFAOYSA-N 432.429 2.624 0 40 IFAB CN(CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)S(=O)(=O)c1cccs1 9813486 RFSROTGSXRBEMA-UHFFFAOYSA-N 445.570 2.992 0 40 IFAB CNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 9827382 XYBXRZNIBQOPLP-UHFFFAOYSA-N 436.843 2.524 0 40 IFAB CCn1c(CCC(=O)Nc2ccc3oc(C)nc3c2)nc2cc(S(N)(=O)=O)ccc21 9835033 XXQFCQBZOXUGQU-UHFFFAOYSA-N 427.486 2.725 0 40 IFAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCc1ccc(F)cc1 10102919 FAEAYBLSCWKGHK-UHFFFAOYSA-N 433.443 2.702 0 40 IFAB COc1cc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 12427962 PZUVNKFKOAUDIU-QFIPXVFZSA-N 433.464 2.540 0 40 IFAB COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3ccno3)nc12 12443834 URVTZKIJEYHRSI-UHFFFAOYSA-N 432.502 2.671 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4nccc4C)cc3)CC2)cc1C 12699734 NYTCIYLKXLTACK-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB CCN1C[C@@H](CN(C)C(=O)CCn2nc(-c3cccs3)oc2=O)Oc2ccccc21 12806531 UCVIJJDDROQGIC-OAHLLOKOSA-N 428.514 2.701 0 40 IFAB CCN(CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1cccc(OC)c1 12821407 ZOSKAXSTYZCHMJ-LJQANCHMSA-N 439.965 2.809 0 40 IFAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(Br)c1 12852740 ZJCWHCWCQKXBEA-SFHVURJKSA-N 425.348 2.801 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)c(OC(F)F)c3)C2=O)cc1 12904807 ZXLQDLYJWWMFES-NRFANRHFSA-N 449.410 2.711 0 40 IFAB COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(CC(C)C)c1=O 13133646 RCYSCDWQCWDHLA-UHFFFAOYSA-N 441.532 2.627 0 40 IFAB CCc1cccc2c1NC(=O)[C@]21N[C@H](CCSC)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 15958655 NIYSKYYDTNLVOT-ZHSNQQFMSA-N 427.570 2.665 0 40 IFAB biogenic O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 16088279 NUDUUUUBOCWDBZ-UHFFFAOYSA-N 440.974 2.524 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCC(C)CC2)cc1 17306562 QETKRGXCRGEKKM-UHFFFAOYSA-N 441.528 2.904 0 40 IFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 18011992 FELQAAMHXYSSLI-UHFFFAOYSA-N 430.404 2.699 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3OC)[nH]c2=O)C1 19501666 CUQLHSBXLJLHKB-IBGZPJMESA-N 438.528 2.831 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19528792 LTOVIMIRDQTAIR-HFZDXXHNSA-N 433.552 2.729 0 40 IFAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2c(C)cc(C)n(C)c2=O)cc(=O)[nH]1 19572208 LTCKCHCCUFDREV-LJQANCHMSA-N 431.496 2.589 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)Cc3nonc3C)CC2)cc1 19695129 VLRCUFQSGBMBAC-UHFFFAOYSA-N 436.516 2.858 0 40 IFAB COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20237864 UWSBNHABXIHSLQ-UHFFFAOYSA-N 436.555 2.588 0 40 IFAB O=c1cc(Sc2ncccn2)[nH]c(=O)n1CCNc1ncc(C(F)(F)F)cc1Cl 20365373 JFAIWJSOUDFIHT-UHFFFAOYSA-N 444.826 2.657 0 40 IFAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22805175 NLUWZCVUYSFAAO-UHFFFAOYSA-N 443.519 2.729 0 40 IFAB C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 25052093 UKRCPEGRGNSIIX-AWEZNQCLSA-N 425.566 2.944 0 40 IFAB COCc1ccccc1CNC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C 25795904 SBYRTEAXINBAAU-UHFFFAOYSA-N 438.528 2.941 0 40 IFAB CSc1nc(C)c(CCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c(C)n1 26706708 PLIVLEZNKFNQSM-FQEVSTJZSA-N 429.542 2.891 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCn2c1nc1ccccc12 30794836 FPFLULLTTHJSIU-OAHLLOKOSA-N 428.489 2.623 0 40 IFAB O=C(NCCN1C(=O)S/C(=C\c2cccc(Cl)c2Cl)C1=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 32932093 CWIGTCSJYJPOOI-ANUAZRRZSA-N 430.269 2.811 0 40 IFAB CC(=O)c1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)c1 40478002 HPWZPWSRIHOZBA-UHFFFAOYSA-N 436.859 2.531 0 40 IFAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(N3CCN(c4ccccn4)CC3)nc2c1 49006417 AZJKMXIAIMUMBY-UHFFFAOYSA-N 441.491 2.894 0 40 IFAB C[C@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 58162297 AAYDAVYVMASOAP-GBXCKJPGSA-N 435.568 2.615 0 40 IFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccccc2C)c1 59294458 CGAFENJCZGPWBJ-UHFFFAOYSA-N 426.542 2.660 0 40 IFAB O=C(NCc1cccc(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850208 BRBJZWINJQOUAV-AWEZNQCLSA-N 429.361 2.980 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 72328029 JLWFUXSIFTWIKN-GGUMNFRJSA-N 427.545 2.692 0 40 IFAB COc1cc(NC(=O)c2c(C)n[nH]c2S(=O)(=O)Nc2ccccc2)cc(OC)c1OC 72329893 PNBPTARUOMQPPY-UHFFFAOYSA-N 446.485 2.797 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 89688813 ZUMCQLVACJGGSR-UHFFFAOYSA-N 444.948 2.776 0 40 IFAB CC(C)CN1[C@H]2CCN(C(=O)c3cccn3C)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145759 WHEMFYXCHWYIPR-HKUYNNGSSA-N 431.558 2.738 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(C)c1 165643974 VAGTZIMYJUUCMR-WYZBVHOTSA-N 426.513 2.841 0 40 IFAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 206804341 HGIKJZOCAJMUNE-NVXWUHKLSA-N 432.448 2.747 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220179772 OIRIRWGBIHAIEU-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222555129 VVYJHRPMWPFIFV-UHFFFAOYSA-N 445.541 2.635 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1N1CCCC1=O 224241841 YBKBARGRFNGPHQ-UHFFFAOYSA-N 428.561 2.975 0 40 IFAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccc(F)cc1)S(C)(=O)=O 225048755 VWKUJFAEIFEIPL-HNNXBMFYSA-N 437.518 2.922 0 40 IFAB CCn1cnc2cc(C(=O)N3CCC[C@@H](CC(=O)NCC4CCN(C)CC4)C3)ccc21 257279149 OFEUJQRURHVGAT-IBGZPJMESA-N 425.577 2.757 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)c(Cl)c1 260890349 CJISPXBKVRKUBV-ZDUSSCGKSA-N 445.324 2.716 0 40 IFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(CC)cc3)CC2=O)cc1 408651017 CRQLVMYRCHGPHH-SFHVURJKSA-N 438.480 2.961 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704692 RNGWHWQJEOXIJP-IAGOWNOFSA-N 432.542 2.750 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 409144237 NQQAWEYLVRYHRZ-CYBMUJFWSA-N 447.285 2.993 0 40 IFAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4nnc(O)c5ccccc45)n3C)C2)n1 508128250 AGWMFTBXKDFKJK-OAHLLOKOSA-N 444.499 2.689 0 40 IFAB O=S1(=O)C[C@@H](O)[C@@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 575422305 UUFDUFHSMBIELB-VQTJNVASSA-N 443.396 2.743 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 585288134 XGZBJKFTNSFUDE-AREMUKBSSA-N 440.584 2.777 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCCn1ccnc1 604404143 KCDUCFRQSKWOOA-QHCPKHFHSA-N 443.507 2.985 0 40 IFAB biogenic CC(C)(C)c1ccc2nnc(C3CCN(C(=O)Cn4cnc5ccccc5c4=O)CC3)n2n1 1888926496 QCNURAICSPDLHC-UHFFFAOYSA-N 445.527 2.538 0 40 IFAB COC(=O)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 2212922 WPFFQKNXLYNFQR-MRXNPFEDSA-N 431.901 2.844 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 8451311 LQRNSHULXFSFPP-CNSVBDKNSA-N 449.532 2.592 0 40 IFAB Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1 8755105 WZKJVRPCECDVRN-GFCCVEGCSA-N 431.967 2.811 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)ccc1Cl 9127887 NHPJJDZBDHAEPV-UHFFFAOYSA-N 437.857 2.720 0 40 IFAB Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 9292978 NHOINGZNCKQZGB-UHFFFAOYSA-N 433.487 2.537 0 40 IFAB O=C(NCCCn1cnc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9337978 WZMWMRAMZNSGDU-MRXNPFEDSA-N 432.571 2.705 0 40 IFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 9386815 YLLDJNNESPUODR-QFIPXVFZSA-N 440.887 2.871 0 40 IFAB Nc1nc(SCC(=O)N2CCCCCC2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 9518142 PKNYRMQDOUWVGZ-UHFFFAOYSA-N 435.937 2.753 0 40 IFAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1C 9551223 OUDUDTIOUMMILH-INIZCTEOSA-N 428.510 2.855 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 9612451 KVNIGUZPQCDIEU-UHFFFAOYSA-N 427.269 2.602 0 40 IFAB O=C(CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NCCc1ccccc1F 9665120 OLMOYDOEGLIEDF-UHFFFAOYSA-N 427.476 2.564 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCOC)Cc2ccccc2)cc1C 10301507 BHUAOQGGKGPBRL-UHFFFAOYSA-N 434.558 2.737 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(N2CCOCC2)n1C1CC1 11776345 TXTSZZPLRRMDHB-UHFFFAOYSA-N 429.546 2.530 0 40 IFAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O 11858223 XJRWCXGUVRVVDH-LLVKDONJSA-N 448.444 2.819 0 40 IFAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130133 ZWKNXPUYKVVKMZ-HOTGVXAUSA-N 446.360 2.737 0 40 IFAB COc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 12235225 IJRJSAKZDNAOOT-UHFFFAOYSA-N 447.543 2.787 0 40 IFAB COCCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1cccc(C)c1 12691640 PXMMEJHHLDAWJR-UHFFFAOYSA-N 431.543 2.791 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2noc(-c3ccc(F)cc3)c2C)CC1 12993719 FNOOEDUDXAITBI-UHFFFAOYSA-N 434.493 2.900 0 40 IFAB COc1cccc(C(=O)N2CCN(c3nc4sc5c(c4c(=O)n3C)CCCC5)CC2)c1 13719472 CIOLSEQMNHRGSO-UHFFFAOYSA-N 438.553 2.845 0 40 IFAB COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)NC(C)(C)C)n2C)C(C)C)cc1 13858109 GFKFWOVAGRTRML-KRWDZBQOSA-N 433.578 2.958 0 40 IFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 14242839 UCNPYFGLLLNOFJ-HXUWFJFHSA-N 428.510 2.648 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 14291839 ZISJYPGGFDSWKE-UHFFFAOYSA-N 443.569 2.832 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccnc3Cl)CC2)c1 14919923 VOWQWEKMXDXYNG-MRXNPFEDSA-N 436.965 2.685 0 40 IFAB COC(=O)c1c(N)nn(C(=O)[C@@H](C)Oc2cc3c(C)cc(=O)oc3cc2C)c1SC 16284575 IMRDMGPNVDKWRE-LLVKDONJSA-N 431.470 2.805 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)c1C 18094655 GDWVBZJFSDQKSK-UHFFFAOYSA-N 429.473 2.680 0 40 IFAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19340490 KJRAWPHTJKMXQK-INIZCTEOSA-N 442.516 2.692 0 40 IFAB O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19347551 INHOSCYXIBVXFT-OAQYLSRUSA-N 433.487 2.840 0 40 IFAB COc1ccccc1CCC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693745 CENTUWOABMJGCK-SFHVURJKSA-N 434.544 2.900 0 40 IFAB NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 19868301 XXNRLFKNKIFBRB-UHFFFAOYSA-N 435.933 2.619 0 40 IFAB CSc1nc(NN)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4 20329271 GJDXKGIJGPLHCV-UHFFFAOYSA-N 432.575 2.935 0 40 IFAB C[C@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20437939 IYPVZFJEAKGERD-GFCCVEGCSA-N 429.546 2.720 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cnc2sc3c(n2c1=O)CCCC3 20767711 DVTNKONOPRPPAY-UHFFFAOYSA-N 443.481 2.691 0 40 IFAB COc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1nnnn1-c1ccc(C)cc1 22111403 ZTAARTXMDAKJSZ-UHFFFAOYSA-N 438.517 2.865 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2)CC1 22585942 ZQHMMRWJABKJIV-GOSISDBHSA-N 443.569 2.647 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ccccc2F)CC1 27501647 AKDMUGCLHCUKBM-UHFFFAOYSA-N 449.523 2.714 0 40 IFAB CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2ccsc2c1=O 27819285 QQGIWZSSPZFIFY-UHFFFAOYSA-N 433.555 2.946 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1S[C@H]1CCS(=O)(=O)C1 31353072 YHWYHYYMBMPHOU-INIZCTEOSA-N 433.551 2.710 0 40 IFAB CC(C)Cn1nccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 31703681 QUGBZRGJAIHUGI-UHFFFAOYSA-N 429.340 2.561 0 40 IFAB COc1cc(C)ccc1OCC(=O)OCC(=O)N1CCN(Cc2cccc(C)c2)CC1 32672118 XSHQVCXCNNMJLT-UHFFFAOYSA-N 426.513 2.578 0 40 IFAB CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccc2ccccc2c1 35056620 XCMZMJFBJIDKSB-FLEOUKIISA-N 435.476 2.923 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)c3ccccc3)CC2)cc1 36385522 POEIMCLDEIOCDM-LJQANCHMSA-N 429.586 2.997 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 36386812 UHNSHLWBURNSGS-UHFFFAOYSA-N 443.569 2.832 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)C1 57485988 ZFTIXAMOMNXQLC-HUUCEWRRSA-N 429.517 2.917 0 40 IFAB CCN1C[C@H](CN(C)C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 58155420 SYIPVXAMMQYVTP-PZJWPPBQSA-N 438.507 2.650 0 40 IFAB CCOc1ccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 60082791 DQZGOSNYZABEPJ-MRXNPFEDSA-N 425.485 2.510 0 40 IFAB COc1cccc(CNC(=O)c2nsc(C(=O)NCc3cc(F)cc(F)c3)c2N)c1 65118387 FKWHIWFRWMYAEC-UHFFFAOYSA-N 432.452 2.872 0 40 IFAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(Br)cc3)c(=O)c2=O)cc1 67256030 WRJABGDSLLVLBT-UHFFFAOYSA-N 444.285 2.799 0 40 IFAB C[C@@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C1CC1 72274683 ZEJWSNKLFPCMHR-LFVRLGFBSA-N 427.501 2.620 0 40 IFAB C[C@]12CC[C@H](C[C@@H]1C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C2)NC(=O)c2ccccc2N1 72326969 RGUXRXXMCULTIU-VWKIKIOWSA-N 446.555 2.503 0 40 IFAB O=C(c1nnn(-c2ccccc2Cl)c1-c1ccccn1)N1CCN(c2ncccn2)CC1 77199896 VGGCVLLGLZHLKL-UHFFFAOYSA-N 446.902 2.735 0 40 IFAB Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n([C@H]2CCS(=O)(=O)C2)n1 95350295 LVYUUNDQJAITQM-DLBZAZTESA-N 446.529 2.691 0 40 IFAB Cc1nnc(N2C[C@@H]3CN(C(=O)C4CCCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)o1 96251455 HPPQSXDGCRSTOE-CVDCTZTESA-N 429.565 2.530 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)Cn4nc(C)c(C(C)=O)c4C)C3)nn2c1O 100138466 UFDLBBADJBKIOZ-KRWDZBQOSA-N 438.532 2.728 0 40 IFAB Cn1nc(C(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cc1C(F)(F)F 100145901 GHGGQLWSDNIYAV-GJZGRUSLSA-N 433.434 2.987 0 40 IFAB CCOCCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(S(N)(=O)=O)ccc21 100873585 ASSAKVDDXDADJN-UZYVYHOESA-N 439.946 2.781 0 40 IFAB Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(n4ccnn4)CC3)cc2)c1 206937495 BTUHWHBHUWLRGF-UHFFFAOYSA-N 425.514 2.865 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(N3CCCCC3)c(C(=O)O)c2)cc1OC 217624337 VADAUXBWXKETPJ-UHFFFAOYSA-N 448.541 2.913 0 40 IFAB Cc1cccc(N([C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220153041 LQEXWDOIKREUQX-MRXNPFEDSA-N 428.514 2.858 0 40 IFAB C[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220463315 SFTLIJGUBGSQKX-JTQLQIEISA-N 442.469 2.547 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(Cl)cc2)cc1OC 223091785 OVUMNQRBXYHZRI-UHFFFAOYSA-N 426.922 2.636 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1N1C(=O)CCC1=O 223861109 BXBCQGVJZPVKJN-MRXNPFEDSA-N 444.509 2.929 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224968102 OXTXYGKYPHTCOS-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 225272840 IHCKUZQWLQXICE-IBGZPJMESA-N 430.526 2.572 0 40 IFAB O=C(c1cnc(O[C@@H]2CCOC2)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 253404834 RKSWSBIJQAMDGL-QGZVFWFLSA-N 445.903 2.589 0 40 IFAB CC(C)n1cnc2cc(C(=O)N(C)[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)ccc21 257275429 NPJSDMZHTCUQQH-BJLQDIEVSA-N 448.531 2.566 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1OC 260588023 FDABJISBGMRSOS-IAGOWNOFSA-N 434.558 2.996 0 40 IFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)n1 585147376 UIRQPXFMCGYBAG-KRWDZBQOSA-N 445.470 2.684 0 40 IFAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(Cc2cnc(Nc3ccccn3)cn2)CC1 585292484 NJOPHCSSRHMKDD-BQYQJAHWSA-N 431.544 3.460 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccc(F)cc1 2146814 JEDHHCYDRYHTMK-XFQAVAEZSA-N 426.492 2.779 0 40 IFAB biogenic COCCN(CCOC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 2636079 LKTPKSDGJWKWQO-UHFFFAOYSA-N 427.530 2.543 0 40 IFAB CCOc1ccc(/C=c2/sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 3636000 GYNDXGPXMPRYST-VCHYOVAHSA-N 439.493 2.790 0 40 IFAB O=C1C[C@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccc(F)cc1 8694535 OOZLTEIVRDKUQV-INIZCTEOSA-N 426.477 2.510 0 40 IFAB O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 8721259 AMDFYHZYFONEBB-UHFFFAOYSA-N 428.558 2.786 0 40 IFAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 8888320 QPLWJVFJFYAMHG-AWEZNQCLSA-N 438.436 2.681 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=O)c4ccccc4)ccc3N3CCC[C@@H]32)C1=O 9434002 MQQKZEMUHBMNKB-LJQANCHMSA-N 432.480 2.501 0 40 IFAB Nc1nc(SCC(=O)OCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518073 QROGQTDJIJQHHP-UHFFFAOYSA-N 428.445 2.579 0 40 IFAB Cc1cc(C)c(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)c(C)c1 9599486 GWLBIDJRMLHOBI-UHFFFAOYSA-N 427.486 2.853 0 40 IFAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)cc1 9829481 WNPCBTPEDUGGBW-UHFFFAOYSA-N 447.470 2.951 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)c2O1 9882253 WSIYAGOVYLZPGB-UHFFFAOYSA-N 438.480 2.853 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9963395 BDJHNADIISPXIW-JOCHJYFZSA-N 427.432 2.783 0 40 IFAB CCCCn1c(=O)n(CC(=O)Nc2cccc(F)c2)c(=O)c2c1ncn2Cc1ccco1 9968926 NVQXVJTVRXVOLY-UHFFFAOYSA-N 439.447 2.579 0 40 IFAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 10138042 UNSJIEQGTICPOI-UHFFFAOYSA-N 446.617 2.655 0 40 IFAB COC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696097 LBNLGEMKPNZJED-RHSMWYFYSA-N 442.541 2.531 0 40 IFAB O=S1(=O)CC[C@H](n2nc(-c3ccccc3)cc2NS(=O)(=O)c2ccc(F)cc2)C1 11795929 DVDKCLYKRGPETL-INIZCTEOSA-N 435.502 2.850 0 40 IFAB COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)c(OC)c1 12285756 AWONMIDZPIBXBM-CYBMUJFWSA-N 431.470 2.772 0 40 IFAB CCCCCn1c(=O)c2ccccc2n2c(CN3C(=O)NC4(CCCCC4)C3=O)nnc12 12533807 PYWHKKWWWVFPBM-UHFFFAOYSA-N 436.516 2.989 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1O)n2C 12604409 GJUQUBTUFAKGCR-UHFFFAOYSA-N 430.530 2.881 0 40 IFAB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12630837 ADAQHFLLUAFEGA-RISCZKNCSA-N 442.588 2.864 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)Nc1c(C(C)C)n(C)n(-c2ccccc2)c1=O 12825565 IRQJSMKLDRLTQZ-UHFFFAOYSA-N 435.527 2.948 0 40 IFAB O=C(COC(=O)c1ccc(Cl)cc1O)NCC(=O)Nc1ccccc1Br 12888976 BBXBLAPIHTYMKU-UHFFFAOYSA-N 441.665 2.720 0 40 IFAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)s1 14123435 RJWUMWATSRVLOZ-UHFFFAOYSA-N 449.323 2.923 0 40 IFAB COc1ccc(OC)c([C@H](C)N[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 14244245 PBBWDCYHFZPDJP-HOTGVXAUSA-N 449.573 2.940 0 40 IFAB COc1cc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)cc(OC)c1OC 16047584 LGBKWYLTUGSBBM-UHFFFAOYSA-N 447.469 2.565 0 40 IFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2nc3ccccc3s2)cc1C 17652865 ZAXGVICZGSACKV-UHFFFAOYSA-N 425.510 2.545 0 40 IFAB CCCN1C[C@H](C(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)CC1=O 19708356 YBZWTYVKVYTKAU-LJQANCHMSA-N 426.561 2.719 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)COc2ccccc2)n1 19709850 BIFIFCKSOURZSJ-HXUWFJFHSA-N 425.533 2.654 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 19710852 ONQKMOVCNFHICJ-FQEVSTJZSA-N 425.508 2.858 0 40 IFAB Cc1nn(C)c(C)c1CN(C)C(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 19748846 GLSKYCXDDLQMQP-UHFFFAOYSA-N 436.553 2.625 0 40 IFAB Cc1cc(NC(=O)Cn2cc(C(=O)NCC(C)(C)c3ccccc3F)ccc2=O)no1 19749247 DCGWHNXPFVHMJW-UHFFFAOYSA-N 426.448 2.630 0 40 IFAB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 19817559 LGMMLZHDHGLVGR-MAUKXSAKSA-N 434.452 2.861 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)c(C)c1 20004345 JQTNEMAVLWCNNL-NHCUHLMSSA-N 430.570 2.797 0 40 IFAB Cc1ccc(SCCNC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1 23328899 BVPXYSXIBWVBNG-UHFFFAOYSA-N 425.601 2.641 0 40 IFAB CCn1c(CN(C)CCOc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 23908149 WWMRPIIQQAIASJ-UHFFFAOYSA-N 446.573 2.826 0 40 IFAB CC(=O)c1ccc(N2CCN(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)c(F)c1 27375006 GHPOURYKSFFDBH-UHFFFAOYSA-N 427.476 2.950 0 40 IFAB CCCn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc2c(C)nn(C)c2c1=O 28557075 BQRPDUFOXRDDFB-UHFFFAOYSA-N 446.914 2.603 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 28645535 XTHYBPLMMMIITD-KRWDZBQOSA-N 436.343 2.887 0 40 IFAB O=C(NCCCN1CCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 29520734 IDXAMCUKAHGTPP-UHFFFAOYSA-N 433.599 2.718 0 40 IFAB NC(=O)NCc1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 31296780 WHEIZGKEHHPJHU-UHFFFAOYSA-N 441.841 2.885 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)N(C)CCc2ccc(OC)c(OC)c2)c1 32909403 XBVDZUYYGJXUHC-UHFFFAOYSA-N 430.457 2.983 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 33482994 OBYNFBNVUWBLQC-UHFFFAOYSA-N 443.504 2.666 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 35436354 ADORENBWWCNFAZ-WOJBJXKFSA-N 429.586 2.519 0 40 IFAB CCN(CC)C(=O)Cn1cc(/C=C2\NC(=S)N(C)C2=O)c2cc(Br)ccc21 39556810 CANHBGARGAYSRH-NVNXTCNLSA-N 449.374 2.960 0 40 IFAB COCCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 39591886 LOSZUFSGQMCYMK-HNNXBMFYSA-N 429.546 2.850 0 40 IFAB COCCCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 39996397 ZOBRJBSRKAKSFD-GQCTYLIASA-N 447.885 2.669 0 40 IFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CN2CCCCCC2)cc1 72377103 OOJILMYXFQQGMU-FQEVSTJZSA-N 436.560 2.754 0 40 IFAB CC(=O)N1CCc2ccc(S(=O)(=O)NCCc3nc(-c4ccncc4)cs3)cc21 79062356 AZWWZSXINJBDHD-UHFFFAOYSA-N 428.539 2.635 0 40 IFAB COc1ccc(C2(CNC(=O)CC3(Cn4cnnn4)CCCCC3)CCOCC2)cc1 79485765 OYHRFZINWGCJBM-UHFFFAOYSA-N 427.549 2.887 0 40 IFAB Cc1ccc(SCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 95482174 YOQMPPDWDUTOHU-UHFFFAOYSA-N 447.626 2.594 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)Nc1cccc(F)c1 136548626 LHHOIOMJLCOCJN-MRUHUIDDSA-N 426.492 2.779 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(CO)C(=O)O)cc1 218230244 UVYHYDKSNCCIEB-SOLBZPMBSA-N 425.300 2.761 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222519366 YENAIQDTNGDLSN-ZDUSSCGKSA-N 426.922 2.942 0 40 IFAB C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C 245228221 KRNGJMMSVZBNAO-WWGRRREGSA-N 425.323 2.806 0 40 IFAB Cc1nonc1C(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257256174 KKJLFBOOBCUVRY-OAHLLOKOSA-N 443.891 2.746 0 40 IFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CCOc1ccccc1C)CC2 257300307 RTUMAXHZMCREIT-GOSISDBHSA-N 437.544 2.516 0 40 IFAB CC(=O)Nc1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](NC(C)=O)CC2)cc1 257308143 TVPCFBDGUNNRMN-LSQMVHIFSA-N 437.540 2.752 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@H]2CCCO2)c1 260828152 LILLDJYYIREDJP-OAQYLSRUSA-N 430.570 2.832 0 40 IFAB COc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OCCN1CCOCC1 585271009 CVODPZJTSPBKKR-NRFANRHFSA-N 436.593 2.548 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 982576 TYFZBWWXBWVISK-UHFFFAOYSA-N 447.557 2.876 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O 1330900 ULTCAXOKGNOJEA-UHFFFAOYSA-N 437.843 2.661 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 3280536 ZETRRZXKFLPPCP-MRXNPFEDSA-N 426.469 2.896 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCc2ccccc21 3544694 FTVXREYPQXZENB-KRWDZBQOSA-N 442.537 2.996 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc(OP(=O)(O)O)cc1[C@@H](NC(C)=O)CC2 3993833 UGBMEXLBFDAOGL-INIZCTEOSA-N 437.385 2.974 0 40 IFAB investigational CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 6232659 DYPWYALADNLMHN-YTBGYOSVSA-N 433.379 2.920 0 40 IFAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cc(OC)ccc2OC)C1=O 8917913 OHRTXOUWZJACSY-GBXCKJPGSA-N 449.507 2.516 0 40 IFAB biogenic Cc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)N1CCCCC1 9056594 KWYQMLSZLIUTER-UHFFFAOYSA-N 443.569 2.838 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4Cc3ccccc3)n(C)c2=O)cc1 9519110 QMFOPQUPOCLZPB-SFHVURJKSA-N 429.524 2.910 0 40 IFAB COc1ccc(-n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 9662585 YVRFMBRMTIWPAI-INIZCTEOSA-N 445.566 2.772 0 40 IFAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 9668652 QREUFLRZUQIYGV-UHFFFAOYSA-N 432.542 2.750 0 40 IFAB CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCOC)c1 9934201 BTHLVNQQCCDHNE-LJQANCHMSA-N 439.468 2.676 0 40 IFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)(F)F)cc1 10833682 KHBHFVJDOPJXRO-AWEZNQCLSA-N 432.420 2.806 0 40 IFAB COc1cc(OC)nc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n1 11385118 JETKBIIUWJVMPU-UHFFFAOYSA-N 426.502 2.742 0 40 IFAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(OC)ccc2OC)CC1=O 11532940 CDYNKYUCHLPTJN-INIZCTEOSA-N 426.469 2.801 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3cccs3)CC1)O2 12086657 VSNVQCORJCUTMY-WAIKUNEKSA-N 441.553 2.635 0 40 IFAB COc1cc(C(=O)NC2CCN(CC(=O)Nc3ccccc3F)CC2)cc(OC)c1OC 12644636 BELHJSZRWKPPOW-UHFFFAOYSA-N 445.491 2.684 0 40 IFAB CCOC(=O)c1cc(OS(=O)(=O)c2cccc(C(=O)OC)c2)cc(C(=O)OCC)c1 12763661 LEWLQMNADWCWAI-UHFFFAOYSA-N 436.438 2.594 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OCCCO4)CC2)cc1 13096398 VJFKRXIWUDMGHS-UXBLZVDNSA-N 442.537 2.703 0 40 IFAB CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)Nc1ccc(F)cc1F 13956110 QTWZLKMYQCJNSQ-UHFFFAOYSA-N 438.485 2.945 0 40 IFAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1 14140418 FSSVFRNDFVWRCS-XMMPIXPASA-N 436.512 2.747 0 40 IFAB COc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(C)c2c1 14241519 WEJFBZVQBSUZQX-UHFFFAOYSA-N 433.486 2.501 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CN1CCN(c3ccc(C(C)=O)cc3)CC1)CC2 15442867 OOUIDUYFNNBQSN-UHFFFAOYSA-N 437.540 2.613 0 40 IFAB CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)CC1 16689904 RETSGXKKSJNOFR-UHFFFAOYSA-N 436.604 2.878 0 40 IFAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)n2)cc1 16820223 XSKJXXVBAZRMET-UHFFFAOYSA-N 443.467 2.519 0 40 IFAB COc1ccc2c(c1)C1=C([C@H](c3cnn(C)c3C)O2)[C@@H](c2cnn(C)c2C)n2ncnc2N1 19640683 AJYGEGYIHBRYLL-YADHBBJMSA-N 444.499 2.930 0 40 IFAB O=C(CCn1cnnn1)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692337 CHDCOYJETUQTEC-LJQANCHMSA-N 446.433 2.668 0 40 IFAB Cc1nc(C2CCN(C(=O)C(C)(C)O)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19739312 PDZPXJGBAVZRIN-UHFFFAOYSA-N 440.519 2.880 0 40 IFAB COc1ccccc1NC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21150460 CPWNPOANVMPJRG-UHFFFAOYSA-N 427.896 2.674 0 40 IFAB CC(C)c1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 22228722 UXMVLFJJPZDQOV-UHFFFAOYSA-N 443.569 2.892 0 40 IFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 23078632 GLLRPKSCHOSPGI-YLJYHZDGSA-N 437.587 2.644 0 40 IFAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O 23804804 DKUCXXWOLGDBII-WMZHIEFXSA-N 433.552 2.875 0 40 IFAB COc1ccc(CNC(=O)COC(=O)c2c3c(nc4ccccc24)CCN(C)C3)cc1OC 25562135 GHOJOCYGWMPTGT-UHFFFAOYSA-N 449.507 2.713 0 40 IFAB COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2C)s1 27664688 SGTKUNAXTRUWNL-UHFFFAOYSA-N 433.511 2.847 0 40 IFAB CCOc1ccc(OCCOC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 32741883 LMGILRNHHOSSLW-LJQANCHMSA-N 444.509 2.621 0 40 IFAB Cc1ccc(-c2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c3c(C)noc3n2)s1 32771068 ADRFXQAACHQEDZ-UHFFFAOYSA-N 434.543 2.722 0 40 IFAB CCN1CCN(c2ccc(CNC(=O)CCc3c(C)nc(SC)nc3C)cn2)CC1 40151640 BXLLMLGJKVMMBD-UHFFFAOYSA-N 428.606 2.601 0 40 IFAB CSc1ncccc1C(=O)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1 43960126 SQBDOELUYOVWNJ-UHFFFAOYSA-N 433.599 2.818 0 40 IFAB CCCCNC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O 57504457 KJHOBKFRVAEMTM-UHFFFAOYSA-N 426.864 2.783 0 40 IFAB CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)CC1 72345835 NWIYNYIPFXNTKM-JOCHJYFZSA-N 433.618 2.991 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1 72376354 IKBBBUDTRMLCIQ-INIZCTEOSA-N 426.502 2.853 0 40 IFAB Cc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)c1 79112314 OEQJPOXTVCBWHP-LJQANCHMSA-N 429.498 2.909 0 40 IFAB COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 89919281 WNSCZWSGMRWXFJ-UZLBHIALSA-N 442.965 2.976 0 40 IFAB O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)Nc1ccc2c(c1)OCCO2 90617652 BIYWQHTZYAQZPR-UHFFFAOYSA-N 430.507 2.572 0 40 IFAB O=C(CNC(=O)c1ccccc1Cl)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96855749 MXXMTUXQOWXRDF-SFQUDFHCSA-N 443.912 2.923 0 40 IFAB COc1ccc(OC)c(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccc(OC)cc45)C3)C2=O)c1 100792639 WUGRUJALTBGRMC-OAQYLSRUSA-N 435.480 2.884 0 40 IFAB biogenic COc1cccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@H]3C2=O)c1 101277529 BLEYRPWDQPMCOZ-RBUKOAKNSA-N 432.440 2.855 0 40 IFAB O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCc1nc(-c2c(F)cccc2F)cs1 108391509 KUFKZQCXOMYXEN-OHHBCXFOSA-N 448.447 2.684 0 40 IFAB CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC)c(OC)c1 219448467 JRKQZCGGFCKUGU-QGZVFWFLSA-N 446.525 2.896 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(F)c3)n2)c(OC)c1 223775050 KSWCKRPBOPNBRS-UHFFFAOYSA-N 437.449 2.722 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2nc(-c3cccc(OC)c3)no2)c1 223912739 OSAFFPKHCNQABD-UHFFFAOYSA-N 437.861 2.664 0 40 IFAB CC(C)[C@H](C)NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225201899 RALYZUOCXWRCID-IBGZPJMESA-N 429.586 2.967 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 257211800 CALLCKGJNAWZNN-XMMPIXPASA-N 425.504 2.575 0 40 IFAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 260865507 CGMYLSBLFCVLEH-MOPGFXCFSA-N 445.585 2.785 0 40 IFAB Cc1nc(C(=O)N2CC[C@]3(CCn4ncnc4[C@H]3NC(=O)Nc3ccccc3)C2)cs1 306130749 JOKIRXKNDSFLRX-UTKZUKDTSA-N 437.529 2.842 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)CCc1ccccc1)c1ccc2c(c1)OCCO2 408706104 VIZVFKSCHYSIKS-KRWDZBQOSA-N 432.542 2.751 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)NC(=S)Nc1ccc(Br)cc1 952665 YHHDBZSGPGAHKH-UHFFFAOYSA-N 432.299 2.948 0 40 IFAB O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 9283748 WWLSUNTUNWOGMG-UHFFFAOYSA-N 443.500 2.860 0 40 IFAB COc1cccc(C(=O)N(CCS(=O)(=O)N2CCCCCC2)Cc2ccncc2)c1 9344174 NZVVAKWBXAADHY-UHFFFAOYSA-N 431.558 2.938 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2)cc1 9356104 VLNXWNKSLVEUQV-UHFFFAOYSA-N 439.537 2.988 0 40 IFAB Cc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1S(=O)(=O)NCCO 9449158 RRLVNXIRZYMAPZ-UHFFFAOYSA-N 425.514 2.647 0 40 IFAB Cc1ccn2c(=O)cc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)nc2c1 9501842 UFXJUPOASYSQPX-UHFFFAOYSA-N 448.552 2.772 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H]1CCCc2ccccc21 9575924 QNHJKSFZMGHCFN-OALUTQOASA-N 435.480 2.810 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)cc1 9835944 YHWMJHFWDAQQJZ-QZTJIDSGSA-N 427.848 2.671 0 40 IFAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC[C@@H]1COc2ccccc2O1 10214179 MNYGICPDDYTZDR-OAHLLOKOSA-N 436.420 2.645 0 40 IFAB COc1cc(NC(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc(OC)c1OC 11697415 CFKRVXBXHFXZPC-UHFFFAOYSA-N 439.476 2.875 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccc4F)CC3)c(C)n2n1 12563363 NSYBJXSRQPTBBO-UHFFFAOYSA-N 428.537 2.884 0 40 IFAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl 12623301 TXONSEISCRLNRH-MGPLVRAMSA-N 436.288 2.904 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 13007828 YWLZWGBINRWHEH-KRWDZBQOSA-N 434.945 2.996 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3cccc(Cl)c3)CC2)cc1 13030201 YZQDGYZBPTZKGC-QGZVFWFLSA-N 435.977 2.832 0 40 IFAB COc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2C[C@@H]2CCCO2)CC1 13504342 HWQBMBYDTSODMY-REWPJTCUSA-N 434.544 2.772 0 40 IFAB C[C@@H](c1nnc(SCC(=O)NCc2ccccc2)n1C)N1C(=O)COc2ccccc21 15019107 GYPCIHCNNYCIMK-HNNXBMFYSA-N 437.525 2.710 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)n1 16047016 OPWRJCUFWLOHBF-HSZRJFAPSA-N 429.484 2.789 0 40 IFAB CN(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 16724320 SBIDKINDGMGEBO-UHFFFAOYSA-N 435.977 2.993 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(OC)c(O)c(OC)c1 16790337 MUYNSBQEBNLDMB-INIZCTEOSA-N 439.420 2.774 0 40 IFAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 17635772 AMDKNBOBUZRZSN-INIZCTEOSA-N 429.473 2.604 0 40 IFAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 19006100 BMMDSPGGELSWSG-UHFFFAOYSA-N 428.894 2.673 0 40 IFAB CCc1nccn1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 19523488 DBDFTJKGHDLBSQ-UHFFFAOYSA-N 446.555 2.773 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc2c1CCN(C)C2 19708808 WAEGJSQHYXLXFA-LJQANCHMSA-N 449.599 2.961 0 40 IFAB COCCCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22232970 APFVZNHNJILSIS-UHFFFAOYSA-N 440.949 2.838 0 40 IFAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 32736317 YHYWFUCPPFXTFS-FQEVSTJZSA-N 440.931 2.959 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCS(=O)(=O)Nc1ccccc1 32908805 VRKZDGRVYSKJST-UHFFFAOYSA-N 443.447 2.934 0 40 IFAB CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 36614679 SLCJRPQNXSHGHS-UHFFFAOYSA-N 441.351 2.613 0 40 IFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCCN3C[C@H](C)C[C@@H](C)C3)cc(C(C)C)nc21 40146759 BDONJYRNUMUOSU-IAGOWNOFSA-N 443.592 2.716 0 40 IFAB COc1ccc2cc([C@H](C)C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2c1 40157461 MPVDRXOPKIWHIS-ZACQAIPSSA-N 434.558 2.507 0 40 IFAB CNC(=O)c1ccc(CN(C)c2cnn(-c3ccccc3C(=O)OC)c(=O)c2Cl)cc1 58603095 YAKKQQQWQDOSDB-UHFFFAOYSA-N 440.887 2.669 0 40 IFAB Cc1cc(C(=O)N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)on1 72348036 HKRKGDRDQOYWJX-SFHVURJKSA-N 434.500 2.691 0 40 IFAB Cn1cc(CC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)c2ccccc21 77154567 REEGTZMTDRCUMM-UHFFFAOYSA-N 430.555 2.666 0 40 IFAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)no2)c(OC)c1 89960387 PUORCWLPQBBRAK-HNNXBMFYSA-N 443.547 2.669 0 40 IFAB Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(Cc5ccccn5)CCN4C)n3c2)cn1 96156671 LRTWNPDCPLIRGX-OAQYLSRUSA-N 442.527 2.569 0 40 IFAB CC(C)Cn1c(CCCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96222518 XCTYGGWFIIAWRR-HXUWFJFHSA-N 447.539 2.882 0 40 IFAB biogenic c1ccc(-c2nnn(C34C[C@@H]5C[C@H](CC(c6nc7c8cn[nH]c8ncn7n6)(C5)C3)C4)n2)cc1 102643335 FLGNIEGUMAQBTA-KKQCZIFWSA-N 438.499 2.901 0 40 IFAB O=C(O)Cc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 110414231 VCNXQIBTHMZBTG-LCYFTJDESA-N 433.848 2.850 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 113965011 KYFLAFPTEHJJOK-UHFFFAOYSA-N 438.933 2.974 0 40 IFAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)cc1 219226344 LRTNHTOZQYQGNQ-UHFFFAOYSA-N 442.497 2.659 0 40 IFAB COc1cccc(N(CCCC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 222597112 DVGMUUNMNIHLPR-UHFFFAOYSA-N 444.513 2.608 0 40 IFAB COC(=O)c1ccc(NCCCn2ccnc2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223420515 ULZYQCWNBRHOAJ-UHFFFAOYSA-N 444.513 2.981 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 224485624 QSSJYOPAOBSDLV-NRFANRHFSA-N 432.542 2.670 0 40 IFAB Cc1ccccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(S(=O)(=O)N(C)C)C2)ccn1 257344969 ZZKLBRLMPJKWJY-LJQANCHMSA-N 440.573 2.988 0 40 IFAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)n1 409144372 JRENWUSBODOGAR-CPNJWEJPSA-N 438.509 2.902 0 40 IFAB COc1ccc2c(=O)c(C(=O)Nc3cccc(OCCN4CCOCC4)c3)cn(C)c2c1 524733059 PTCOENDDNFMAQU-UHFFFAOYSA-N 437.496 2.510 0 40 IFAB O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 585139050 CLWOVARCSUXWAH-ROUUACIJSA-N 433.530 2.687 0 40 IFAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)c4ccc(N5CCCCC5)nn4)C[C@H]3C2)nn1 1888863789 RDFJSTHXNHCLFR-HDICACEKSA-N 435.576 2.763 0 40 IFAB O=C(CSC1=NC(=O)[C@@H](Cc2ccccc2)C(=O)N1)Nc1nc2c(s1)CCCC2 2459146 FNMQXOMTOFWCAW-UHFFFAOYSA-N 428.539 2.565 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1C 2889368 KIJQZCDNQHBYLF-UHFFFAOYSA-N 449.598 2.876 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCc2ccccc21 3392834 UUWSGUGOTBIMHL-INIZCTEOSA-N 428.510 2.606 0 40 IFAB NC(=O)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9289555 OBQWTTXBVRNCDO-VWLOTQADSA-N 438.487 2.982 0 40 IFAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 9433909 MAPRJOYLQLCWPI-KRWDZBQOSA-N 437.573 2.842 0 40 IFAB CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 9478656 DFOSZPWYYNKUKC-UHFFFAOYSA-N 438.440 3.000 0 40 IFAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1 9545160 GKQRAUIPKQAHIS-ZDUSSCGKSA-N 436.555 2.919 0 40 IFAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NCc1ccccc1 9578369 VSQCKHIPGNEEBD-UHFFFAOYSA-N 446.536 2.505 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccccc1 9730192 YUQFRZPKTSQXIJ-FQEVSTJZSA-N 440.452 2.732 0 40 IFAB CCOc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 9747297 AKODOMFPBJAKSN-UHFFFAOYSA-N 430.574 2.813 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2nn(C)c(=O)c3ccccc23)c1C 9765226 DSKRJHVSMVCCDJ-SFHVURJKSA-N 448.523 2.810 0 40 IFAB CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 9827451 JPXLUHJRCMDBLK-UHFFFAOYSA-N 446.451 2.529 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1 11694000 SCVVWAYGRQINJO-UHFFFAOYSA-N 428.514 2.873 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)on3)C1)O2 12237175 CGISISSJXCRGGN-SPLOXXLWSA-N 436.468 2.970 0 40 IFAB CCn1c(CN[C@@H](C)c2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12540722 MZPLRDHLAVUYLY-HNNXBMFYSA-N 434.587 2.989 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)Nc1ccc2c(c1)OCCCO2 12685603 YCNCJRNQACQMQK-NRFANRHFSA-N 427.482 2.632 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12805881 AFCVYTWXTSVZND-RHSMWYFYSA-N 448.416 2.995 0 40 IFAB O=C(CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)CC1)Nc1ccc(F)cc1 12853732 IFEGJZZETYMSJZ-YCRREMRBSA-N 439.487 2.783 0 40 IFAB CC(C)C[C@@H](C(=O)OCC(=O)N1CCC(c2ccccc2)=N1)N1C(=O)c2ccccc2C1=O 13070940 PAMZZAHADWIZMV-NRFANRHFSA-N 447.491 2.877 0 40 IFAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2ccncc2)cn3C2CC2)CC1 13736600 NMYFQDQFGOBJLD-UHFFFAOYSA-N 449.530 2.942 0 40 IFAB COc1ccc([C@H]2SCC(=O)N2NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 13756463 UZHIPWGVGJWKGX-JOCHJYFZSA-N 440.477 2.794 0 40 IFAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 14136792 OGWYVQXAGZNCQQ-GJZGRUSLSA-N 431.514 2.695 0 40 IFAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 14250727 LSTTXNWFWRXPCL-UHFFFAOYSA-N 448.479 2.919 0 40 IFAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC(=O)N1CCCC1 15008938 AHDSAUKZWNLBIN-STZFKDTASA-N 449.532 2.857 0 40 IFAB COc1cc(OC)c(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1Cl 16850910 KZUQXNXSPRWSPM-LLVKDONJSA-N 439.921 2.654 0 40 IFAB CCN1C[C@@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)CC2)CC1=O 19526863 JVEIEZSRBAWDPZ-HRCADAONSA-N 427.471 2.586 0 40 IFAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)CCn2ccccc2=O)n1 19585224 UQMQUQKFPFFWDL-HXUWFJFHSA-N 432.528 2.910 0 40 IFAB CNc1cc(C2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)nc(-c2cnccn2)n1 19592350 BSTUHBGDRKDYTM-UHFFFAOYSA-N 446.511 2.695 0 40 IFAB COc1ccc(NC(=O)CN2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)cc1 19692556 QEASZQCKMWUDLI-HSZRJFAPSA-N 446.507 2.868 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19741363 MIACVMXXUXPJSN-GOSISDBHSA-N 444.557 2.760 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 20021114 DREIYUYFOLWTFA-CQSZACIVSA-N 426.922 2.521 0 40 IFAB COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3)ccc2s1 20021467 BOLGKDSYOPWUAU-UHFFFAOYSA-N 448.522 2.956 0 40 IFAB CCn1c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nnc1-c1ccncc1 22187016 HLCKNOPUJUXIBA-UHFFFAOYSA-N 433.559 2.781 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2-n2cccc2)CC1 22519355 BWYIITNXTJZGEB-UHFFFAOYSA-N 429.427 2.856 0 40 IFAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854134 FLWBPKPBJWNGPN-QGZVFWFLSA-N 430.530 2.996 0 40 IFAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 26013824 QXAVPOPLMAOUKI-UHFFFAOYSA-N 436.346 2.652 0 40 IFAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1=O 27379270 ULJMLUPIRFQBNI-IBGZPJMESA-N 449.507 2.708 0 40 IFAB O=C(NCCCN1CCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30899851 ZZNOEAHITYXHKT-FQEVSTJZSA-N 427.570 2.656 0 40 IFAB COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 32071949 MWIOCTFLEJASQX-CYBMUJFWSA-N 435.402 2.822 0 40 IFAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc2c(c1)OC(F)(F)O2 33530980 XSRPSNUNCJFARC-UHFFFAOYSA-N 431.351 2.673 0 40 IFAB CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)nc1C 36631335 WXZIEJGYDJYFKM-LBPRGKRZSA-N 440.547 2.560 0 40 IFAB CC(C)c1cccc(N2C[C@@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)c1 40058962 UHGRUEZUMHDLLT-SFHVURJKSA-N 440.544 2.534 0 40 IFAB CCN(Cc1csc(-c2ncccn2)n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 40153438 UQFYGDPVLSVNLM-UHFFFAOYSA-N 438.513 2.876 0 40 IFAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 44885736 CXUUUHVANUQWID-HXUWFJFHSA-N 448.541 2.821 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 44905120 SSBVYTFFODSDKY-UHFFFAOYSA-N 428.532 2.581 0 40 IFAB COc1cccc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)c1 56949811 WLFHXGBOGHDKBS-UHFFFAOYSA-N 449.507 2.988 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 56998155 AOLWPHSCDQGXKY-ROUUACIJSA-N 438.908 2.502 0 40 IFAB NC(=O)c1ccn(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)n1 58310116 OBMXBJUJVCIYMO-MRXNPFEDSA-N 432.484 2.854 0 40 IFAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1cccc(Br)c1 67286193 FATRTIHZBNQUKD-INIZCTEOSA-N 440.363 2.669 0 40 IFAB CN(C)CCn1cc(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)cn1 78928001 NPSZEOSHMLATFR-RUZDIDTESA-N 427.368 2.734 0 40 IFAB CC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 84734887 NSNPMGRPIOILCV-BXUZGUMPSA-N 442.335 2.891 0 40 IFAB O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccccc1 95393142 ROVOQRFJHVRDBA-UXHICEINSA-N 430.526 2.561 0 40 IFAB COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)nc2ccc(Cl)cn2c1=O 96114428 VGGDJGCGKQILKW-CYBMUJFWSA-N 425.828 2.590 0 40 IFAB biogenic CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C\c1cccnc1 98004264 RXDVIZXSCOZBQI-YVMONPNESA-N 431.514 2.542 0 40 IFAB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 101487392 HJLLEAXAUCBGJM-IKVWTGGYSA-N 433.508 2.682 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O 216420431 PJQCOSQKJBDJJN-UHFFFAOYSA-N 442.541 2.580 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CCN1CCOCC1 223126836 APORXRLDGGUEEX-FGZHOGPDSA-N 434.569 2.572 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1C(=O)NC(C)C 223906378 RSIBMVRVNIELQJ-UHFFFAOYSA-N 444.513 2.704 0 40 IFAB CN(CC(=O)NCc1cccc(CN2CCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224627811 QZNQERFUEAYRBZ-UHFFFAOYSA-N 435.977 2.873 0 40 IFAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224868267 KVQXHURRLVXLFP-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc(N3CCCC3=O)cc1)CC2 257232897 GMXMDEJZAXCPHQ-LJQANCHMSA-N 448.571 2.539 0 40 IFAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1C 257319564 VTBIXCDKRQCPPS-LJQANCHMSA-N 441.513 2.694 0 40 IFAB Cc1nc(CN2CCC[C@]3(CN(C(=O)C4CC=CC4)C[C@H]3c3ccnn3C)C2=O)cs1 306143562 YFNPKJYJDCLVRN-WMZHIEFXSA-N 439.585 2.886 0 40 IFAB O=S(=O)(Cc1noc2ccccc12)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 390831854 VKXIBNOPVKKSLJ-UHFFFAOYSA-N 441.435 2.725 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccc(F)cc1 408549241 RHAWSKFNNZFSEZ-LICLKQGHSA-N 428.416 2.869 0 40 IFAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618238 UMIIGDKADSKRHY-QGZVFWFLSA-N 440.525 2.689 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 575618418 VNKBIKLTTAYCJO-KSSFIOAISA-N 436.530 2.629 0 40 IFAB O=C(NC[C@H](CO)Cc1ccc(Br)cc1)c1nnn(C2CC2)c1C(F)(F)F 683255916 KRQFZGJTMWHJPL-LLVKDONJSA-N 447.255 2.975 0 40 IFAB CC(C)(C)OC(=O)N1CCC2(CC=CCNC(=O)c3ccccc3OCCNC2=O)CC1 2037818718 SWNOHNRPAPYACJ-UHFFFAOYSA-N 443.544 2.889 0 40 IFAB Cc1ccc(CC(=O)N2CCCCCc3cc(F)ccc3OC[C@@H](O)[C@@H](O)CC2)cn1 2037972602 FWPIKXZXHFJBQL-FCHUYYIVSA-N 430.520 2.818 0 40 IFAB CCn1cc(N2CCC[C@@H](Nc3ncnc4ccc(Cl)cc34)C2)c(=O)n(CC)c1=O 2298230535 OBWAJZVAGXJUNZ-OAHLLOKOSA-N 428.924 2.727 0 40 IFAB COc1cc(CNc2ccccc2Oc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC 2269676 TVXMRIKDYDUFPN-UHFFFAOYSA-N 427.457 2.514 0 40 IFAB Cc1cc(I)ccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505565 MWVDCRSKUXQXMB-UHFFFAOYSA-N 441.269 2.793 0 40 IFAB COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)[C@@H](N)CCC(=O)O 5810203 AWQXRZKLOCRIGY-KJPDOMRESA-N 445.468 2.989 0 40 IFAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 8587404 YMRVESHDNPXQQO-UHFFFAOYSA-N 445.560 2.716 0 40 IFAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(C(N)=O)ccc4OC)ccc1c23 8715868 HIYKOSPYIHGYLI-UHFFFAOYSA-N 425.466 2.728 0 40 IFAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1O 9059649 UACBKKNKSGWVIE-DHZHZOJOSA-N 427.464 2.866 0 40 IFAB Cc1csc(=O)n1CCC(=O)OCC(=O)N[C@H](C)c1ccc(Br)cc1 9244564 CKPFNNGPDDHLGT-GFCCVEGCSA-N 427.320 2.791 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1 9254005 PNIDHXQBIYLLSJ-UHFFFAOYSA-N 440.525 2.574 0 40 IFAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc3c(c2)OCO3)cc1 9348848 BPHZVWOEWQBJEM-HSZRJFAPSA-N 445.475 2.862 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCc1ccc(F)cc1 9492148 SVBQXZGSILDUFI-KRWDZBQOSA-N 428.526 2.724 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 9637063 RZTGLIOOBLQUQU-XXBNENTESA-N 437.521 2.854 0 40 IFAB CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9715181 QKDXYXJLIBWZFA-INIZCTEOSA-N 446.554 2.655 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cn2ccsc2n1 9715216 CZJFRHYYDISXCT-UHFFFAOYSA-N 434.543 2.760 0 40 IFAB CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807341 HVFIHJIAHRGIPK-HXUWFJFHSA-N 443.569 2.774 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 9909177 DFFNQWBMLTVKLK-BZQUYTCOSA-N 449.507 2.939 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1 10187872 AWYQLOVWXSESFA-UHFFFAOYSA-N 435.864 2.589 0 40 IFAB O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)N1CCN(c2ccccc2)CC1 10267902 LWIWRAASYWYGMJ-HSZRJFAPSA-N 437.521 2.507 0 40 IFAB Cc1cccc(Cn2c3c(=O)n(C)c(=O)n(C)c3n3c(-c4ccc(Cl)cc4)nnc23)c1 10968732 XXGPKHZQHDJUAY-UHFFFAOYSA-N 434.887 2.759 0 40 IFAB Cc1sc2ncnc(N3CCC(C(=O)NCCc4nnc5ccccn45)CC3)c2c1C 11546818 DWKMQDVDCUQKOO-UHFFFAOYSA-N 435.557 2.926 0 40 IFAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccncc4)CC3)n2)C1 12133514 NJCHCMLJNCBMBC-INIZCTEOSA-N 443.573 2.531 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)cc2)c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12276791 WKBCTWUZTSCDGE-UHFFFAOYSA-N 433.443 2.709 0 40 IFAB CCCN(C(=O)Cc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12693393 XBNSTSNCCKTBOS-UHFFFAOYSA-N 426.904 2.806 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(c3ccccc3Cl)C1=O)OCO2 12772779 DMBCSLRFIOLNAL-NRFANRHFSA-N 443.843 2.677 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC(N)=O)c2ccccc2)cc1 12792020 GTAWIQFJGQWPER-KRWDZBQOSA-N 429.542 2.772 0 40 IFAB COc1cc(CCNC(=O)CSc2nnc(C(F)(F)F)n2C)ccc1OC(F)F 12915768 ODZSBTWYGMJHNA-UHFFFAOYSA-N 440.394 2.895 0 40 IFAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c(C)c2c1 12917228 PHVFTMJZEPBOQA-UHFFFAOYSA-N 446.481 2.796 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3c3nc4ccccc4s3)nc2)CC1 13096413 TUPJYMIGARJVQN-SFHVURJKSA-N 443.598 2.969 0 40 IFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1(N2CCOCC2)CCCCC1 14638857 IEYICBVRRVOFHF-UHFFFAOYSA-N 435.874 2.672 0 40 IFAB CCOC(=O)C1=C(COC(=O)COc2ccc(CC)cc2)NC(=O)N[C@H]1c1ccco1 18287223 HMBLVZDGVNAGAL-FQEVSTJZSA-N 428.441 2.635 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)Cc4ccccc4)nn3c(O)c2C1 19017939 CYPWBSLHWJEHSH-NRFANRHFSA-N 433.512 2.636 0 40 IFAB CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 19689100 ZVSIYGFQQAVJSC-QHCPKHFHSA-N 428.540 2.884 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)c1 19694190 BJLHNRJLZBCOMK-SFHVURJKSA-N 447.539 2.937 0 40 IFAB COc1ccc([C@@H]([C@@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC 20191923 AUNVLATUOFSGJT-VXKWHMMOSA-N 446.569 2.722 0 40 IFAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1C 21625342 YWJJQDQKQCLVMW-ZFWWWQNUSA-N 441.575 2.648 0 40 IFAB O[C@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(Cc2ccc(Cl)cc2)CC1 22030615 FQXSWLMJBJZVIL-LEWJYISDSA-N 432.948 2.675 0 40 IFAB COc1cc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc(OC)c1Br 22991694 APNKVYPJYHRBCL-UHFFFAOYSA-N 425.323 2.941 0 40 IFAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 23016507 RFQJXRKGMSCFHT-UHFFFAOYSA-N 438.527 2.587 0 40 IFAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 24018267 GUTDWMIPCZRBJJ-UHFFFAOYSA-N 433.349 2.821 0 40 IFAB COc1ccc(CCN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC 30863690 OWPDKCBMCSJLRW-KRWDZBQOSA-N 440.496 2.529 0 40 IFAB COC(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(F)cc1F 31029537 BMFBQJLCTSLHQX-UHFFFAOYSA-N 432.470 2.852 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(C)c(CC(N)=O)s2)c1 32871369 HPKXUBBJYNTEAT-OAHLLOKOSA-N 435.571 2.952 0 40 IFAB C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H]1C 35388448 QJWQBNBLMGDWSK-ZNMIVQPWSA-N 434.027 2.649 0 40 IFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21 36367074 ODEPLGWWNMKLLW-JOCHJYFZSA-N 425.460 2.809 0 40 IFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc21 38700212 QGRYYHHEMUXKRS-INIZCTEOSA-N 445.516 2.920 0 40 IFAB COc1ccc(-c2nc(CN3CCN(CC(=O)N4CCCC4)CC3)cs2)c(OC)c1 39987606 FVHCDPSQSUMXLU-UHFFFAOYSA-N 430.574 2.567 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)C1=O 48361829 RZABDNFLVJVIAW-QZTJIDSGSA-N 428.577 2.891 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)c2sc(-c3ccc(OCC)cc3)nc2C)CC1 59849813 SCQHNAKPSGMABE-UHFFFAOYSA-N 430.574 2.801 0 40 IFAB CC(C)CCn1c(=O)c2sccc2n2c(=O)n(CC(=O)N(C)c3ccccc3)nc12 65305202 OEXLYLRLTFXJHX-UHFFFAOYSA-N 425.514 2.582 0 40 IFAB COc1cc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 79488549 BFXHJSUVYIVXKW-INIZCTEOSA-N 442.516 2.571 0 40 IFAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccnc3)C2=O)cc1OC 96593049 ZHSHEKOWQMUFCO-LDADJPATSA-N 427.482 2.955 0 40 IFAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccs5)CC4)c3CO2)cc1 97943618 BIBYPFRENBBHDG-GOSISDBHSA-N 437.525 2.518 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 101513806 WFPYHBYBIXXFGM-WOJBJXKFSA-N 440.477 2.868 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 103513895 BNQWFBYQJUWALC-UAFMIMERSA-N 435.867 2.946 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)cc1 138959860 OUVOUJXXTQNWQY-UHFFFAOYSA-N 448.501 2.704 0 40 IFAB CCCCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1 195529601 PWWXWLXKEPTERH-QGZVFWFLSA-N 431.643 2.918 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219980716 NZYSGDSAZLINGV-UHFFFAOYSA-N 426.498 2.793 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222583773 VDDRERICXSXNGV-UHFFFAOYSA-N 445.541 2.635 0 40 IFAB CCc1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 224479228 RVURHDUCLAEQEQ-LJQANCHMSA-N 438.933 2.625 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225298315 PQFXTQLDOIBFJO-LJQANCHMSA-N 448.541 2.743 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccc(OC)cc2O1 247958570 PKKFGCGJYIEICA-JKBUXMKTSA-N 427.545 2.550 0 40 IFAB Cc1cc(C)n(-c2cccc(C(=O)N3C[C@H]4OCC(=O)N(Cc5ccccc5)[C@@H]4C3)c2)n1 257227647 FQGMWFORXXBWNA-DHIUTWEWSA-N 430.508 2.741 0 40 IFAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)c2ncc[nH]2)C[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 257254984 KFQLBPZWBWFKDC-CGXNFDGLSA-N 440.931 2.874 0 40 IFAB Cc1ccc2c(CC(=O)N3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)coc2c1 257336587 YPBZPKNWNYXMHK-QGZVFWFLSA-N 436.512 2.885 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)OC)C2)cc1 408557351 MGAGWBNJYPNATM-INIZCTEOSA-N 446.525 2.911 0 40 IFAB O=C(CC1=CCCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 2055718427 ZUWYDSKATHSOBR-OFVILXPXSA-N 437.588 2.938 0 40 IFAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 1311516 UGTNTDUCGWMEMP-UHFFFAOYSA-N 438.347 2.783 0 40 IFAB CCN1CCc2c(sc(NC(=S)NC(=O)/C=C/c3ccc(OC)cc3)c2C(N)=O)C1 2316335 FLMMKCODCCPEDB-RMKNXTFCSA-N 444.582 2.760 0 40 IFAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 2626052 SXGKXRONVQMSHA-UHFFFAOYSA-N 445.431 2.664 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 2646995 QCHYBDVPFQUPII-UHFFFAOYSA-N 440.905 2.541 0 40 IFAB O=C(Nc1ccccc1Cl)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007739 NSMOFNIITOEKDA-UHFFFAOYSA-N 425.872 2.975 0 40 IFAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCc2ccccc21 3544599 TYBKHXXIVUJZCI-QGZVFWFLSA-N 442.537 2.996 0 40 IFAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 4438462 OMORGHJUJKKBER-CYBMUJFWSA-N 432.527 2.739 0 40 IFAB Cc1cccc2sc(N3CCN(C(=O)CS(=O)(=O)c4ccc(F)cc4)CC3)nc12 8601720 WOUMWXRAAHYXMR-UHFFFAOYSA-N 433.530 2.866 0 40 IFAB CN(CC(=O)NCc1ccco1)C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 9349112 UFQTVTUNILRDOO-UYRXBGFRSA-N 448.508 2.768 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 9746916 KUVXQFFYPNKICU-QGZVFWFLSA-N 441.619 2.637 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 10386629 SCTIALBFKXFQKG-UHFFFAOYSA-N 436.555 2.907 0 40 IFAB COc1cc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 11013563 GWZZFXHUYQXOCU-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1 11545005 GNHABKWDCCLLLH-UHFFFAOYSA-N 430.921 2.567 0 40 IFAB O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 12069477 URKKWLGWUKQJNN-UHFFFAOYSA-N 434.462 2.972 0 40 IFAB COc1ccc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1Cn1cccn1 12182721 HAHRBECOQPAEBO-GOSISDBHSA-N 448.571 2.818 0 40 IFAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCN1CCOCC1 12844395 SVVYPWNDRVWYNE-UHFFFAOYSA-N 430.452 2.686 0 40 IFAB CC(C)C(=O)N1CCN(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CC1 12971878 KJKSLCHVKBRURR-UHFFFAOYSA-N 442.516 2.591 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1Cl 13670557 IVEGQJZCZOFLED-MRXNPFEDSA-N 446.013 2.741 0 40 IFAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccccc1Br 14235464 RNPPAEXVRRKKQO-HXUWFJFHSA-N 446.345 2.887 0 40 IFAB Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C 14995853 VVVIPYHBCFSVND-UHFFFAOYSA-N 447.583 2.999 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3)CC2)c1C 15842778 XUIDZWHKIZFFTF-QGZVFWFLSA-N 441.553 2.578 0 40 IFAB O=C(Cc1ccc(Br)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846560 ZATOMOGHDVABFG-UHFFFAOYSA-N 437.359 2.666 0 40 IFAB CCc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 19521896 UKYQONGHAIEKEA-SFHVURJKSA-N 432.509 2.960 0 40 IFAB CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 19689098 ZVSIYGFQQAVJSC-HSZRJFAPSA-N 428.540 2.884 0 40 IFAB CN1C[C@H](C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)CC1=O 19695301 ZSENMRORJLPDPQ-QGZVFWFLSA-N 425.508 2.533 0 40 IFAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CCN1CCC(C)CC1)CC2 19710857 WRZXUXUEGFCNLX-OAQYLSRUSA-N 442.608 2.599 0 40 IFAB COCCN1CCCC[C@H](C2CCN(C(=O)c3ccnc(N4CCCC4)c3)CC2)C1=O 19743926 FARHWDMTEPVFEU-OAQYLSRUSA-N 428.577 2.809 0 40 IFAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2OCCN2CCCC2=O)ncc1C(N)=O 19764497 ZFCVRONHEMBZTH-FQEVSTJZSA-N 437.544 2.612 0 40 IFAB Cn1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c(-c2ccc3c(c2)OCCCO3)n1 21413324 IRVWYZLDDYEVAU-UHFFFAOYSA-N 447.447 2.701 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(OC)c1 21993550 GNNXDWXCNUAKRW-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB COC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 22190567 PIYWBVMHPRGSTJ-MJGOQNOKSA-N 440.496 2.786 0 40 IFAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCC(C(N)=O)CC2)cc1 22853816 YFHMPRVNQPFADD-KRWDZBQOSA-N 429.546 2.744 0 40 IFAB CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 25869732 YDIFTJOYRRRFMZ-UHFFFAOYSA-N 425.551 2.599 0 40 IFAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 33450500 IRLVKCNCQKXZMJ-HXUWFJFHSA-N 443.525 2.692 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 36353090 KQGUKHWRGWFRCO-ZDUSSCGKSA-N 444.538 2.538 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc(Br)c1)O2 38833969 UDCBXPBLJDGRSQ-INIZCTEOSA-N 425.304 2.923 0 40 IFAB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)N3CCN(c4ccccc4)CC3)n2)c1 44549947 ZBLAPYKXVLDXBN-UHFFFAOYSA-N 439.541 2.930 0 40 IFAB O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1 49406070 HMALLFCMDSGLPW-UHFFFAOYSA-N 425.439 2.509 0 40 IFAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 58046654 OXDVVOLFOOVOMM-CVEARBPZSA-N 447.557 2.553 0 40 IFAB Cc1c(C(=O)N2CCCC[C@H]2Cc2c(C(=O)NCCO)sc3ccccc23)cnn1C 72370562 OOGCRDGJRQOLJS-INIZCTEOSA-N 440.569 2.903 0 40 IFAB COc1ccc2nc(CN3C[C@@H]4[C@@H](CC[C@@]4(O)c4cnc(OC)nc4OC)C3)ccc2c1 72392611 NXDBVUBHCHGBIA-LZBHBKQYSA-N 436.512 2.780 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ncc(Cl)s2)CC1 78879067 KTYNTENJGYOJRR-UHFFFAOYSA-N 443.934 2.623 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3)C2)c1 89274563 BDXYIVLMINMRBP-IBGZPJMESA-N 437.543 2.568 0 40 IFAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 89651168 MMALDCWFEOGXKT-QGZVFWFLSA-N 446.554 2.709 0 40 IFAB O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCN(Cc2cccnc2)CC1 89794014 URDOWNLOFGYSBT-UHFFFAOYSA-N 448.571 2.718 0 40 IFAB O=C(N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 90592055 PXMTWSFGSHWZCO-MJGOQNOKSA-N 449.486 2.619 0 40 IFAB CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2cncc(Br)c2)CC1 95975666 ZSYFWQGRZYZJNX-UHFFFAOYSA-N 440.386 2.792 0 40 IFAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218205070 ILUHTTGVUNWCNK-GRDNDAEWSA-N 433.368 2.572 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1OCC 220090589 FEOXJWYDEYSISG-UHFFFAOYSA-N 442.484 2.845 0 40 IFAB CCN(c1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1)S(=O)(=O)CC 222403990 WGOAJWQRWLWSHN-UHFFFAOYSA-N 444.513 2.851 0 40 IFAB CN(c1cccc(C(=O)Nc2ccc(I)cc2)c1)S(C)(=O)=O 222406777 FGUWSELBRCDGMY-UHFFFAOYSA-N 430.267 2.939 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c21 223051754 BSYQFDZSVVEYNE-RBSFLKMASA-N 439.516 2.634 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)cc1C(=O)NC(C)C 223599123 PZTZULIQPVAYRV-UHFFFAOYSA-N 444.513 2.670 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 224400927 TXERHOKXBHKBEY-UHFFFAOYSA-N 432.498 2.973 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCc1ccc(F)cc1)=C2C 224580429 RIBCWBCUZZJNSX-UHFFFAOYSA-N 434.489 2.712 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC 224980059 LELBTGZHNFLQLQ-UHFFFAOYSA-N 447.557 2.953 0 40 IFAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccccc1F)S(C)(=O)=O 225061340 VCAUAEIMQIXWMK-AWEZNQCLSA-N 437.518 2.922 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 231508533 SUAOACBKXJPNLK-FQELHTAISA-N 438.532 2.524 0 40 IFAB COc1ccc([C@H]2CN(CC(=O)Nc3cc(OC)ccc3NC(C)=O)CCN2C)cc1 257253293 JYHQBPKAFLUZNW-JOCHJYFZSA-N 426.517 2.589 0 40 IFAB CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C1/NC(=O)N(CC(=O)O)C1=O 408594163 SPNCFXUCYDURDN-GZTJUZNOSA-N 438.436 2.692 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1OC 409060055 RXMVYCFDUDICDJ-LMOLPZMTSA-O 448.474 2.859 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)o3)C2=O)cc1 409221250 NMOYJBFCNWVPMZ-SFQUDFHCSA-N 443.481 2.800 0 40 IFAB O=C(O[C@@H]1C(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409294950 CMJOOMLYBOEPQY-DXUGQKIESA-N 433.460 2.995 0 40 IFAB C[C@H]1COCCCCC2(CCN(CCCc3ccccc3)CC2)C(=O)N[C@@H](C)C(=O)N1 643565403 YTIULTKULQPFSP-SFTDATJTSA-N 429.605 2.911 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)n1 1775969679 GEUUSZMBDOMHOK-UHFFFAOYSA-N 447.948 2.725 0 40 IFAB CCOc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(C)(=O)=O 645047 FCFFTXRYNRPRTB-SFHVURJKSA-N 437.543 2.568 0 40 IFAB Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1-c1ccncc1 3531893 NXZFLDZVWYVZRS-UHFFFAOYSA-N 429.303 2.940 0 40 IFAB C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C1 6530538 OHUKNTWHBODEGI-QGZVFWFLSA-N 431.540 2.867 0 40 IFAB O=C(NCc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 8297816 CTBDXTXSNRGWJA-RAUXBKROSA-N 437.525 2.651 0 40 IFAB biogenic,in-vitro CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C(=O)O)C(C)C 8877233 MHLJSXLZCZTUQI-WDSOQIARSA-N 446.548 2.819 0 40 IFAB biogenic Cn1[nH]c(-c2ccc(Cl)cc2)c/c1=N\C(=O)CN1CCN(c2ccc(O)cc2)CC1 9127029 FEYJYYXCDJIZDE-DARPEHSRSA-N 425.920 2.629 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1 9264786 HSLXJCYSVJFKOL-UHFFFAOYSA-N 437.569 2.855 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(Cc3nc(N)nc(Nc4ccccc4)n3)C2=O)cc1 9338580 VMUICJBNEWVZJD-QHCPKHFHSA-N 447.499 2.649 0 40 IFAB O=C(COc1nncc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9441075 RVFVXSNRZFCTFP-UHFFFAOYSA-N 426.498 2.822 0 40 IFAB CCN(CC)CCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 9669549 PIIWHCBSXSQKBT-KRWDZBQOSA-N 432.590 2.516 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cc(C)ccc1OC 9761898 MQZLWLXEBNYSJX-UHFFFAOYSA-N 437.452 2.744 0 40 IFAB O=C(/C=C\c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 10256360 NWUDKYDFBOZUGA-WDZFZDKYSA-N 429.459 2.712 0 40 IFAB COc1ccc(CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)cc1OC 11613629 NDMFLWSZOKAIOC-OAHLLOKOSA-N 429.542 2.535 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1 11834931 MSDFAIFPIWKDSA-UHFFFAOYSA-N 448.501 2.753 0 40 IFAB COCCOC(=O)CCC(=O)NC(=S)Nc1ccc(OCCOc2ccccc2)cc1 12137321 HQJDKDOLHBIZRY-UHFFFAOYSA-N 446.525 2.927 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccc(C)cc3)c(=O)cc2CO)c1 12231194 YXTOTVNGQFTUDC-UHFFFAOYSA-N 438.480 2.884 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCCCc3ccco3)cc1O2 12296613 ZDTYDLDJXOKMHN-UHFFFAOYSA-N 440.496 2.754 0 40 IFAB biogenic C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(N2CCOCC2)cc1 12555928 VEVZSWDOOJREDX-KRWDZBQOSA-N 445.560 2.678 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 12784995 ARTCUKPFHAYAFH-UHFFFAOYSA-N 429.542 2.574 0 40 IFAB CSCC[C@@H](CO)NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 12894293 YDTSSYCTIGBFBS-AWEZNQCLSA-N 435.542 2.814 0 40 IFAB biogenic Cc1cc(C)cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 13062398 XPUIEDOYPZVESM-UHFFFAOYSA-N 444.553 2.610 0 40 IFAB COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)cc1 13625268 UNLZSCIBOSJSAY-UHFFFAOYSA-N 431.539 2.747 0 40 IFAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1 13692576 HONHMLFQBHZDMO-QUCCMNQESA-N 446.551 2.884 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](CSCc3ccccc3)C(=O)O)ccc12 16030003 NORKNFDIRMALMQ-GOSISDBHSA-N 427.478 2.983 0 40 IFAB biogenic CC(C)N(Cc1ccccc1)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 16429491 KPETWQSULWWSPE-UHFFFAOYSA-N 447.576 2.959 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 17285141 KNFDXJLEBQFKHJ-LJQANCHMSA-N 441.597 2.749 0 40 IFAB CCn1ccc(C(=O)N2CCC(c3nc(-c4ccc(OC)cc4)c(C(=O)NC)[nH]3)CC2)n1 19697044 LPKSBQHZBVWHLQ-UHFFFAOYSA-N 436.516 2.681 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC 20451334 QFHXFRWETCMFDS-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB COCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1=O 21932967 FJYLKARBWKFWEN-UHFFFAOYSA-N 429.480 2.672 0 40 IFAB Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C 23150105 AXPZSKMATJPWCW-UHFFFAOYSA-N 444.553 2.587 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(CCOc3ccccc3)CC2)C1=O 23257460 CIUZUJKQSHQBDD-AREMUKBSSA-N 448.567 2.596 0 40 IFAB CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCC5(CC4)OCCO5)cc3C2=O)cc1 24996888 LDLWXINQTOAZEI-UHFFFAOYSA-N 436.464 2.865 0 40 IFAB CCOc1ccc(CN2CCN(C(=O)CNC(=O)c3ccc(OCC)cc3)CC2)cc1 29654777 LWQBGDDXFJZTEW-UHFFFAOYSA-N 425.529 2.558 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 32868728 SIKICURJKFGFEM-OAHLLOKOSA-N 444.509 2.829 0 40 IFAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c1 35586484 QMWXRECAIPGTKM-UHFFFAOYSA-N 434.499 2.809 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 36611317 QDERLMSMIDZJNJ-OAQYLSRUSA-N 431.533 2.745 0 40 IFAB C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)N(C)C 37115300 IUSYRKCHBSKKJD-CYBMUJFWSA-N 436.917 2.725 0 40 IFAB Cc1ccccc1-c1ccc(N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nn1 38488099 LRTLQKFEZPWNPD-UHFFFAOYSA-N 429.480 2.709 0 40 IFAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCOCCOCC1 38861985 FBKAZESGISUNCA-UHFFFAOYSA-N 439.593 2.518 0 40 IFAB O=C(CN1CCOCC1)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1 40051036 PGFRMHDRUOKULI-UHFFFAOYSA-N 433.980 2.545 0 40 IFAB CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2cc(C)[nH]c2c1=O 57522006 IANOXRXSQXNKEZ-UHFFFAOYSA-N 429.521 2.633 0 40 IFAB COc1ccc(CNC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc1OC 67240139 WGPRYFXKZVDCKP-UHFFFAOYSA-N 446.305 2.618 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)CC1 67262599 JNDBINFLFPGETE-UHFFFAOYSA-N 440.891 2.897 0 40 IFAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 68569342 SYHUKNSTHJICMX-AJGBIIFTSA-N 438.605 2.508 0 40 IFAB CCOc1ccc(CC(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 72330884 WUCJEBXYNMLFOM-UHFFFAOYSA-N 445.512 2.946 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)c1 79015630 HCYZGVPVRPVEPF-CQSZACIVSA-N 428.533 2.974 0 40 IFAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(S(=O)(=O)c2cccs2)CC1 96983420 CUTDHMODIKMTHS-OAHLLOKOSA-N 430.555 2.630 0 40 IFAB CCOC(=O)Cn1c2c(c3ccccc31)CCN([C@H]1CC(=O)N(c3ccccc3)C1=O)C2 102330924 CUIWJVMAZNWKFC-NRFANRHFSA-N 431.492 2.895 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C)cc3)C2)c1 107601394 CCSBHDGAKMXEJH-GOSISDBHSA-N 432.542 2.729 0 40 IFAB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccccc1S(=O)(=O)C(F)F 206843867 YFEOXAQLEFGRLK-AWEZNQCLSA-N 449.435 2.972 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cc(C(=O)OC)ccc2Cl)cc1 224604131 XZAUERSLCWTAHR-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(C)c2)c1C 224658107 MOKWNKMVTRTXLJ-UHFFFAOYSA-N 435.498 2.857 0 40 IFAB O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(Cl)cc1 408565607 CNCKIRWLCRUYRB-UHFFFAOYSA-N 425.872 2.975 0 40 IFAB CC(C)CC(=O)NC[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccs1)CC3 585110149 PDYCQEHZAMBLHQ-HNNXBMFYSA-N 428.558 2.543 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(Cc3cn(C)cn3)CCO2)C1=O 643559570 YPKLZOXYMACKSY-XMMPIXPASA-N 426.561 2.645 0 40 IFAB O=C(CN1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1cc(C(F)(F)F)ccc1Cl 653323832 NBKQZKBZWPGDLV-ZDUSSCGKSA-N 433.858 2.868 0 40 IFAB COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)c(OC)c1OC 1888901174 KGMWZEBNWFQCGB-HOTGVXAUSA-N 438.528 2.508 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(COc2ccc3nc(C)c(C)n3n2)CC1 1888922188 YNZKVEFJNKSUHC-UHFFFAOYSA-N 448.520 2.974 0 40 IFAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccncc1 667311 CRDMZXONIVFVCZ-UHFFFAOYSA-N 445.928 2.909 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 916315 JAHKVUSIQWXOKS-KRWDZBQOSA-N 449.548 2.728 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 3303039 JOMUCBRZKFMIRL-QGZVFWFLSA-N 426.860 2.932 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccccc1Cl 6353954 QBTITTZUJCLZRL-GTVARFKMSA-N 439.924 2.847 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 8328252 XHBUKHULSUYUMV-CMJOXMDJSA-N 425.485 2.974 0 40 IFAB CCCn1c(N)c(C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)c(=O)[nH]c1=O 9126658 RUIMNIXLDYRHQT-UHFFFAOYSA-N 439.541 2.568 0 40 IFAB O=c1nc2s/c(=C\c3cccc(Br)c3)c(=O)n2nc1Cc1ccc(F)cc1 9424429 ODPBZUBOXWEEQX-YBEGLDIGSA-N 444.285 2.551 0 40 IFAB CCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cc(C)cc1C)c(=O)n2Cc1ccccc1 9562806 HHCNIIARXDKORN-UHFFFAOYSA-N 445.523 2.992 0 40 IFAB COc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1C 9572690 DTERWJDGNHHBHN-UHFFFAOYSA-N 447.538 2.973 0 40 IFAB CCN(CC)C(=O)Cn1c(S(=O)(=O)Cc2cc(OC)cc(OC)c2)nc2ccccc21 9707443 IISVSUNGVGEUMH-UHFFFAOYSA-N 445.541 2.896 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 9806158 SDKONTNGMVOVIL-IBGZPJMESA-N 429.542 2.520 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)cc1 9806250 FSAWJYYJBAHSAQ-GOSISDBHSA-N 429.542 2.520 0 40 IFAB CC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)NCc3ccccn3)nnc12 9831596 ZYNHNQMUINZCCZ-UHFFFAOYSA-N 448.527 2.503 0 40 IFAB CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1 9955260 UCVMWRXBMJRKCZ-UHFFFAOYSA-N 440.543 2.583 0 40 IFAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCc1cc(=O)n2ccsc2n1 9958406 HXRJKWZGKIEENO-UHFFFAOYSA-N 442.522 2.609 0 40 IFAB CCOc1ccc(OCC(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 10252112 JGGOOUJFAOJDSV-UHFFFAOYSA-N 433.468 2.747 0 40 IFAB O=C(CN1CCC[C@H](c2ncncc2-c2ccncc2)C1)NCc1ccc2c(c1)OCO2 12117179 UUXXNOHRJKREHO-IBGZPJMESA-N 431.496 2.763 0 40 IFAB COCCn1c(C)cc(CN2CCC(O)(Cn3nc(-c4cccs4)oc3=O)CC2)c1C 12233996 YBZZEETXIKDDPI-UHFFFAOYSA-N 446.573 2.657 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 12553930 FJGPADANPFRGMV-QFIPXVFZSA-N 436.512 2.864 0 40 IFAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 12621968 YCHIWDLRYKBRFH-SFHVURJKSA-N 436.530 2.814 0 40 IFAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCO2 13501481 OUXJBUOEOMMJFJ-UHFFFAOYSA-N 440.500 2.867 0 40 IFAB COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccccc1 13502505 XSNRONUIYZVFRB-QHCPKHFHSA-N 447.495 2.557 0 40 IFAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 13533191 FGDNOZZQBYSZBA-UHFFFAOYSA-N 441.431 2.919 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14185191 UESZNYZDIGALSE-GORDUTHDSA-N 440.930 2.677 0 40 IFAB COc1ccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 15475284 CYXBYSSMUZIIGH-UHFFFAOYSA-N 438.553 2.830 0 40 IFAB CCNC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 15671998 DFFDARKDFAAFKH-NHCUHLMSSA-N 429.492 2.689 0 40 IFAB biogenic,in-vitro CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2cccc(OC)c2OC)C1=O 16045972 YQSYXVBPHXQDFS-QHCPKHFHSA-N 443.475 2.659 0 40 IFAB COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 18114471 WUZZQOXVGMTQNL-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB CC(C)c1cc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n(C)n1 19452264 DXJDVDBTHUAPLM-KRWDZBQOSA-N 440.544 2.632 0 40 IFAB CCCN1CCN(C(=O)Cn2cccn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502793 IKNMPHMCTXFGLU-QHCPKHFHSA-N 431.540 2.885 0 40 IFAB COc1cc(-c2cnc(NCCCN3CCOCC3)nc2-c2cccs2)nc(OC)n1 19550385 ALWIKXGYDVNVLY-UHFFFAOYSA-N 442.545 2.814 0 40 IFAB COc1ccc(Cc2ccc([C@H]3CCCN3C(=O)CCCN3C(=O)CNC3=O)nc2)cc1 19688421 BHXMDAHJDZNGSD-OAQYLSRUSA-N 436.512 2.677 0 40 IFAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 19694587 PXKURMGYVXITLK-GOSISDBHSA-N 430.512 2.723 0 40 IFAB C[C@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 20490324 SQFYZVYZYUULQQ-OAHLLOKOSA-N 432.933 2.997 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1 22228853 RQQNVZSLAJIMHU-UHFFFAOYSA-N 449.960 2.812 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CCN(C)CC2)cc1 22795651 AJTFUVBLMBKUMQ-NRFANRHFSA-N 444.963 2.700 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928969 QMHVCKKLCWOWOC-DNQXCXABSA-N 448.571 2.768 0 40 IFAB CN(C)S(=O)(=O)c1ccc(=O)n(CCC(=O)Nc2ccccc2-c2ccccc2)c1 24836569 MJWOOWGYWIYJIF-UHFFFAOYSA-N 425.510 2.794 0 40 IFAB Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)n(C[C@@H]2CCCO2)c1C 27956241 MZRNSWJQALGIMC-HNNXBMFYSA-N 438.500 2.804 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCc1nc(-c2ccccc2)no1 33231663 OWIOLKOCXYTNKD-OAHLLOKOSA-N 428.514 2.926 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 36067884 RETNWHCOOWIZKG-XBXARRHUSA-N 425.554 2.833 0 40 IFAB COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 48234725 GLGZMKOANBUOOG-LJQANCHMSA-N 442.560 2.800 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)N3CCC[C@H](c4nncn4C)C3)CCCC2)cc1C 58101258 LXJWCTFZSDRFTK-SFHVURJKSA-N 430.574 2.925 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c2)C[C@@H](C)O1 58196609 MQTRKODKGKIYAR-HLIPFELVSA-N 448.589 2.526 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O 60211190 QIWAUTYWKSJSSY-MCMMXHMISA-N 433.553 2.855 0 40 IFAB NC(=O)COc1ccc(NC(=O)c2cnc3c(F)cc(Br)cc3c2O)cc1 72284293 UZVJKUDGSZZUJA-UHFFFAOYSA-N 434.221 2.958 0 40 IFAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)NCCCc1n[nH]c(=O)[nH]1 72306793 ZRKLMYNOTXIKLN-BUHFOSPRSA-N 428.496 2.772 0 40 IFAB O=C(COc1coc(CN2CCCCCC2)cc1=O)N1CCN(c2ccccc2)CC1 72406418 MCDPZWZQJRDCBZ-UHFFFAOYSA-N 425.529 2.743 0 40 IFAB Cc1ccc(NC(=O)CONC(=N)[C@@H]2COCCN2C(=O)OC(C)(C)C)cc1Cl 95449564 NZVWKGWBBOUMCE-HNNXBMFYSA-N 426.901 2.721 0 40 IFAB CCCCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 97943703 NFPCQDCQGQLTTR-HXUWFJFHSA-N 425.533 2.627 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1C 216448062 PSEIYOZGPQBLOC-SFHVURJKSA-N 426.542 2.960 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220224140 MBEBFLBNWLBBDV-HNNXBMFYSA-N 436.530 2.526 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 220334552 NVXMPDYSQICZSE-IBGZPJMESA-N 445.585 2.503 0 40 IFAB Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223153355 OBINZYBLDJTVCZ-GOTSBHOMSA-N 449.580 2.883 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 223788554 HBJCXURWFWTGOW-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225563432 SXKXHLYFGNYNJK-OAQYLSRUSA-N 430.526 2.524 0 40 IFAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2cc(C)nn2)nc(C2CC2)n1 257247803 JAOOGHZKZXXIKX-IBGZPJMESA-N 430.516 2.877 0 40 IFAB Cc1cc(C)cc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 408616853 CKLWVIXLJWVZTI-JXMROGBWSA-N 441.597 2.927 0 40 IFAB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1 408664459 ZRQGNIRPBWPRIO-LJQANCHMSA-N 445.475 2.823 0 40 IFAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O 409210192 IPFMQOJOHAOWCX-NSIKDUERSA-N 426.878 2.612 0 40 IFAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cc(Cl)sc1Cl 575604897 DGMDVWDUXMFNII-UHFFFAOYSA-N 443.360 2.607 0 40 IFAB COc1ccc(Cc2c(O)nc(SCC(=O)Nc3cccc(OC)c3)[nH]c2=O)cc1 781864 DVGRAXHPHLSFES-UHFFFAOYSA-N 427.482 2.814 0 40 IFAB O=C(OCc1cc(=O)n2ccsc2n1)c1nn(-c2ccccc2)c(=O)c2ccccc12 3543089 RWGPWVUFFOGVDE-UHFFFAOYSA-N 430.445 2.812 0 40 IFAB O=C(NN1C[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2Cl)CC1=O)c1ccccc1 8924081 PPGPITSYLMKDDI-CYBMUJFWSA-N 435.263 2.913 0 40 IFAB COC(=O)c1sc2nc(C)nc(SCC(=O)Nc3sccc3C(N)=O)c2c1C 9120168 VVJWUEQHFIAQDN-UHFFFAOYSA-N 436.540 2.986 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CC2 9431205 CDCNVBIDCZGNFT-HXUWFJFHSA-N 444.553 2.750 0 40 IFAB CCCn1c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc21 9580976 SVFGLGZBPOWWTH-UHFFFAOYSA-N 442.541 2.636 0 40 IFAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCC1(N2CCCCC2)CCCCC1 9690545 KLKKOOGDZZJMQM-UHFFFAOYSA-N 426.605 2.749 0 40 IFAB COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5ccc(C)cc5)c(=O)n(C)c4nc23)c1 9829384 VFUKKIZDRFXKTG-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnc(C)s2)cc1 10254721 ZTWSUDLLOCHOHO-UHFFFAOYSA-N 432.527 2.956 0 40 IFAB O=C(c1cc(Br)ccc1O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450763 JLFZSBAQUHXJOJ-UHFFFAOYSA-N 445.360 2.799 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCCCC1 12733432 ABSDWKOSTPDONK-UHFFFAOYSA-N 434.389 2.702 0 40 IFAB CN(C)S(=O)(=O)c1cccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 12943380 IHLUOYZQLDGKRD-UHFFFAOYSA-N 445.541 2.924 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ccc21 13101779 LWZKZLGDGRYILQ-GOSISDBHSA-N 435.480 2.848 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 13120170 ZJESSKAIBBQHQD-JOCHJYFZSA-N 442.585 2.633 0 40 IFAB COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 13501370 SODWHWKEKSBIGW-JOCHJYFZSA-N 444.507 2.680 0 40 IFAB CC(C)COc1ccc(-c2nc3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n3n2)cc1 16729011 PAGPKTMEZRJPNG-HNENSFHCSA-N 432.505 2.747 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1 17168288 PFMQCDUSVMKREL-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB Cc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c(C)c1 19132581 KWLZQVAOXMDNQT-DVECYGJZSA-N 443.613 2.870 0 40 IFAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)C1(c2ccccc2)CCOCC1 19697225 FYLFEYHKNOQQCO-UHFFFAOYSA-N 444.535 2.910 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(Cc1ccc(N3CCCC3=O)cc1)C2 19701404 DNJZDVHNSPILRM-GOSISDBHSA-N 436.541 2.742 0 40 IFAB CCn1cc(CN2CCO[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19703056 UVFLTLSKDRQIQX-GOSISDBHSA-N 441.557 2.559 0 40 IFAB Cn1c(=O)n(CC(=O)N2CC[C@@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)c2ccccc21 19704627 GTCKKQDDFCUNLX-MRXNPFEDSA-N 449.486 2.797 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)Cc1ccc3c(c1)CCCO3)C2 19707428 VSRORWICMMDYCB-NRFANRHFSA-N 449.555 2.654 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CCOc2ccccc2F)ncc1C(=O)N1CCOCC1 19755699 AUHNZHHERWWPIP-IBGZPJMESA-N 442.491 2.529 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)Cn3c(C)cc4ccccc43)C2)ncc1C(=O)N1CCOCC1 19757589 UDLGJAYHYNQHCK-FQEVSTJZSA-N 447.539 2.537 0 40 IFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ncc1C(=O)N1CCCCC1 19763291 ZAQDEOLWDLQNJM-QGZVFWFLSA-N 447.561 2.584 0 40 IFAB Cc1nc([C@@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)ncc1C(=O)Nc1ccccc1 19766040 METZARVNGVLLDR-MRXNPFEDSA-N 441.513 2.820 0 40 IFAB CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930225 KSFPDLXOORRQKZ-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1OC 22089002 VTIAMSIKHJIUCA-UHFFFAOYSA-N 440.949 2.743 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cc(Br)ccc2O)cc1 22357285 MMSDMUZQMGSESI-UHFFFAOYSA-N 435.274 2.717 0 40 IFAB CN1CCN(C(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c2nc3ccccc3nc21 25092107 PQMOKHIGENXYIS-UHFFFAOYSA-N 437.422 2.824 0 40 IFAB C[C@@H]1Cc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2N1S(C)(=O)=O 25767331 PUOADDQVKODOFU-MBNRZODZSA-N 439.581 2.868 0 40 IFAB COCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C(C)C 30881735 AABLETICTANXER-FKBYEOEOSA-N 442.604 2.738 0 40 IFAB biogenic,in-vitro O=C(NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(C(F)(F)F)cc1 32909885 VQMGWQSVHUWDIP-OAHLLOKOSA-N 437.418 2.697 0 40 IFAB Cc1c(-c2nc(-c3ccncc3)no2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 35503850 CVUCWMXLTPONJU-UHFFFAOYSA-N 426.454 2.874 0 40 IFAB O=C1N[C@@H](CCC(=O)N2CCN(c3ccccc3Cl)CC2)C(=O)Nc2ccccc21 35598222 OWASPUKJADRXDJ-SFHVURJKSA-N 426.904 2.520 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2ccc(OC)cc2OC)CC1 36384989 HHPBHGPFTLCSDH-UHFFFAOYSA-N 425.529 2.592 0 40 IFAB COCC(=O)N1CCCc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc21 38699664 VKLSMYWPVNBMRF-MRXNPFEDSA-N 425.460 2.743 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1OC 49343635 HGHFLPAGTSCTGJ-YRNVUSSQSA-N 446.511 2.994 0 40 IFAB CCCCN(CC)C(=O)Cn1c(=O)n(Cc2ccccc2OC)c(=O)c2sccc21 67205435 DXMKBQDNKPEQNC-UHFFFAOYSA-N 429.542 2.930 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)N3CCC(n4c(=O)oc5ccccc54)CC3)CC2=O)c1 72347863 MAUVMVSSDJAWPE-INIZCTEOSA-N 435.480 2.820 0 40 IFAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)C(C)(C)O)nc21 72371111 ZRYPXGFDTSLPLF-SFHVURJKSA-N 438.528 2.707 0 40 IFAB CC(=O)NCCN(CCC(=O)Nc1ccc(Cl)cc1F)[C@@H](C)C(=O)OC(C)(C)C 96004581 RTZKQWYTTYAXDM-ZDUSSCGKSA-N 429.920 2.976 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](OCc3nc4ccccc4o3)[C@H](F)C2)cc1 96112015 AAOZGCNLGZRORS-APWZRJJASA-N 433.461 2.714 0 40 IFAB biogenic,in-vitro O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 101444559 XVFQESNBXYQSTJ-VFMKGFAKSA-N 428.488 2.934 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)cc1 108260120 NCGJKQYPIPIWIF-UHFFFAOYSA-N 436.530 2.806 0 40 IFAB CSc1cccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1 220074537 SGXDKHDWTUNPMG-UHFFFAOYSA-N 433.555 2.940 0 40 IFAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(OC)cc1 224870511 AOTNTGRHWKGATR-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc2c1=O 257198671 FRVAKXNDVPTLIH-IMVQFDEQSA-N 432.568 2.898 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)N(C)C)c(C)n2)C1 257217042 CXEPIUHJIALENY-QGZVFWFLSA-N 440.544 2.761 0 40 IFAB Cn1nccc1[C@@H]1CN(C(=O)c2ccsc2)C[C@]12CCCN(Cc1ccncc1)C2=O 306129763 IMELUZOORGJBAT-WMZHIEFXSA-N 435.553 2.925 0 40 IFAB O=C(NC[C@@H]1CC[C@]2(COCCN(Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 306138342 RVFKEFGKCGWNJA-RDPSFJRHSA-N 438.503 2.882 0 40 IFAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1 408709522 CIIOESNPUSZLSI-UHFFFAOYSA-N 445.475 2.909 0 40 IFAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)C1=O 408917239 PPTWXLUFRLVHKN-NTUHNPAUSA-N 443.861 2.802 0 40 IFAB C[C@@H]1CCN(c2ccc(F)cc2F)CCN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 1635824795 MVPDITDYPQTFMV-QKFKETGDSA-N 442.466 2.760 0 40 IFAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC4CCN(C(C)=O)CC4)[C@@H](C)C[C@H]32)cc1 1775964382 MEEWCDQASQVZLY-UYGLSEIWSA-N 427.589 2.711 0 40 IFAB biogenic,in-vitro O=S(=O)(c1cccc(Cl)c1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928922 GKZJPBGSDMLSTL-CYBMUJFWSA-N 433.921 2.745 0 40 IFAB CCOC(=O)Cn1nnnc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 926667 WNUOAVQRQHVIBZ-UHFFFAOYSA-N 438.532 2.639 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)c1C 3280679 CNSDVESLNFIRSR-JOCHJYFZSA-N 429.448 2.987 0 40 IFAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCCCN(C)C)ccc1OC 3363227 YZGGDDAZRZICLL-UHFFFAOYSA-N 433.574 2.588 0 40 IFAB CCC[C@@H]1O[C@@H]2C=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 3917691 PMZXYZGZQZYDLA-WGOJLARZSA-N 428.525 2.637 0 40 IFAB in-vitro O=C1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C(=O)N1Cc1ccccc1 8769366 SSYYXFPYZMEUIQ-UHFFFAOYSA-N 433.917 2.615 0 40 IFAB COc1ccc([C@H](CC(=O)O)NC(=O)COc2ccc3ccc(=O)oc3c2)cc1OC 8878048 UNWKPKROKKBYIF-INIZCTEOSA-N 427.409 2.521 0 40 IFAB biogenic Cc1cccc(N2C[C@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)c1 8905429 QVSIXXWQMPYBRZ-CYBMUJFWSA-N 434.543 2.693 0 40 IFAB CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 8994332 BBWDITQLHPOPEJ-UHFFFAOYSA-N 425.470 2.878 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2=O)cc1 9056605 HHWKMPIFKLZHTK-HNNXBMFYSA-N 435.480 2.747 0 40 IFAB COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 9282441 QTTSRTISGILDIZ-INIZCTEOSA-N 431.496 2.741 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)N[C@@H](CO)Cc1ccccc1 9429828 TUAAXCZZILVONW-ZJYZBMPFSA-N 428.485 2.972 0 40 IFAB O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 9591290 KGYILCAFUXKCDU-LSDHHAIUSA-N 425.919 2.543 0 40 IFAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1 9597045 SOXMUBVCEXIRFY-UHFFFAOYSA-N 443.930 2.771 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1 9712407 RKMRNIXUDPWSSO-UHFFFAOYSA-N 445.541 2.951 0 40 IFAB COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1F 9863495 LCBFDLJFPOXFLO-QGZVFWFLSA-N 436.505 2.564 0 40 IFAB COc1ccccc1CCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 9961322 IDDZEADARMXENE-INIZCTEOSA-N 448.541 2.885 0 40 IFAB Cc1c(C)n2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 10103064 RKMZSGRKKYZXKZ-UHFFFAOYSA-N 449.511 2.625 0 40 IFAB O=C(Nc1nnc(-c2cccs2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337461 BWURAMOIBDQOFN-UHFFFAOYSA-N 436.490 2.977 0 40 IFAB Cc1cc(=O)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)nn1-c1ccccc1F 10622442 KASRUEPUNJQHIS-HNNXBMFYSA-N 438.459 2.930 0 40 IFAB CCOc1ccc(-c2nnc3n(CCCc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970038 IFUYJLITBNDRQU-UHFFFAOYSA-N 444.495 2.770 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)ccc21 11251407 DGFSWQUOWRNMTQ-UHFFFAOYSA-N 435.402 2.719 0 40 IFAB CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)cnc3C)CC2)cc1 12275736 ZYNILALPWJORDB-UHFFFAOYSA-N 437.949 2.518 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)c3cc(Br)ccc3-n3cnnn3)c2c1 12323315 WTUZBERXUFLEFM-UHFFFAOYSA-N 441.289 2.887 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4nc(C)cs4)CC3)CC2=O)cc1 12407526 PUJFSQJARLMMTN-KRWDZBQOSA-N 426.542 2.990 0 40 IFAB CN(C(=O)CSC[C@@H](O)[C@H](O)CSCC(=O)N(C)c1ccccc1)c1ccccc1 12414113 FVVYERYGDIUBDS-WOJBJXKFSA-N 448.610 2.501 0 40 IFAB CCn1c(CN[C@H](C)c2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12540724 MZPLRDHLAVUYLY-OAHLLOKOSA-N 434.587 2.989 0 40 IFAB CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)c1ccccc1 12763445 ISIDIDQEAJFKCO-HSZRJFAPSA-N 436.556 2.654 0 40 IFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O 12783972 QLBOJXSBIQIYJU-UHFFFAOYSA-N 438.459 2.789 0 40 IFAB COc1ccc([C@H](CNC(=O)CN2CCC[C@@H](C(N)=O)C2)c2c[nH]c3ccccc23)cc1 13128794 SOWFAYDYJAUDDB-NQIIRXRSSA-N 434.540 2.622 0 40 IFAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(Cl)cc2)ccc1F 13371888 VBQSRFTWLPDFBM-OALUTQOASA-N 445.965 2.559 0 40 IFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc2)no1 13505871 HMSUDVJLKMSTPQ-QGZVFWFLSA-N 448.907 2.684 0 40 IFAB O=S(=O)(Nc1ncccn1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 13948406 LALYJVNZWMMARP-UHFFFAOYSA-N 441.494 2.626 0 40 IFAB O=C([C@H]1Cc2ccccc2S1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14047886 XUTXLEREBKEIDS-CQSZACIVSA-N 428.988 2.951 0 40 IFAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(C)[nH]1 14196844 BYHHYSYNEBBKNS-UHFFFAOYSA-N 429.464 2.840 0 40 IFAB CCc1cc2c(=O)n(NC(=O)Cn3c(S)nnc3-c3ccc(Cl)cc3)cnc2s1 17245799 WIROATDIZNAONN-UHFFFAOYSA-N 446.945 2.991 0 40 IFAB C[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1cccc(Cl)c1Cl 17598908 CAJDKTOMMYALFT-SNVBAGLBSA-N 430.288 2.974 0 40 IFAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19078299 CMVDSHZZEIKMCQ-IDCJVQTKSA-N 435.475 2.983 0 40 IFAB Cc1ccccc1-c1noc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)CCO2)n1 19237525 AHSUEBBMLCWWEI-LJQANCHMSA-N 443.481 2.578 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CCn2nccc2C)CCO1 19238472 AVBOXYCBNGACLQ-AREMUKBSSA-N 446.551 2.835 0 40 IFAB CCN(CC)CCNC(=O)CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O 19526403 BVTXNBMUSYPJQF-UHFFFAOYSA-N 431.540 2.959 0 40 IFAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 21155543 SEWYROZJZJWWKH-NRFANRHFSA-N 446.507 2.608 0 40 IFAB CN(CC(=O)NCCCc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(Cl)s1 22489726 GUMQIANNCDYQGE-UHFFFAOYSA-N 426.951 2.647 0 40 IFAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1 23139205 INHRHDSFMCOAGI-KRWDZBQOSA-N 444.557 2.965 0 40 IFAB COc1ccccc1CN1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773744 OSFBCBRMVDKAOG-RBUKOAKNSA-N 434.945 2.671 0 40 IFAB COc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 32679550 GGYYXOJLXCWOIV-UHFFFAOYSA-N 438.391 2.953 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 32986424 NEBZSJIUDGVDKL-OFNKIYASSA-N 439.556 2.849 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 33911139 DYBDTIJRCPYMPG-ORNCYZNGSA-N 435.451 2.976 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3O[C@H](C)C(=O)O)C2=O)o1 35394085 UZJXKRGPJMKCNH-DOQDJBIESA-N 448.815 2.664 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1 36369901 XNNCOHOQOQKCPM-HXUWFJFHSA-N 437.456 2.788 0 40 IFAB biogenic Cc1oc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)N1CCCC1 40131259 HKXXULBLMVRKGK-HNNXBMFYSA-N 443.529 2.786 0 40 IFAB C[C@H](SCc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 40141612 NYUDLAKMMNUHAG-INIZCTEOSA-N 428.583 2.722 0 40 IFAB Cc1ccc(-c2nnc3sc(NC(=O)CN4C(=O)c5ccccc5C4=O)nn23)cc1F 41076572 QZHRFUVTASNHQW-UHFFFAOYSA-N 436.428 2.535 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccsc2c1=O 57425828 GOBCFEZAUUFOEK-UHFFFAOYSA-N 433.511 2.622 0 40 IFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(OC)c3)c2C)cc1 67322873 HEHIZIUKBGJBHR-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB COC(=O)c1cc(S(=O)(=O)Oc2cccc(C(=O)NCc3ccccc3)c2)cn1C 72305599 ALUDLWZWZMZXQR-UHFFFAOYSA-N 428.466 2.509 0 40 IFAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccncc4)CC3)c3ccccc32)CC1 96052950 FMDPKFNAYLVGCS-NRFANRHFSA-N 432.568 2.907 0 40 IFAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12 102798702 XVFQESNBXYQSTJ-SVXFZJLFSA-N 428.488 2.934 0 40 IFAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(C)ccc1OC 139119364 YSHGITFKPHSHGR-LSDHHAIUSA-N 439.516 2.920 0 40 IFAB Cc1ccccc1N(CCCC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 222563706 VHBFVXLOSNJKSL-UHFFFAOYSA-N 428.514 2.908 0 40 IFAB COC(=O)c1cc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1Cl 223862205 NZCLDHUUXYEMFX-UHFFFAOYSA-N 429.878 2.631 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)ccc21 225072306 GGSLITBVXSBEFM-UHFFFAOYSA-N 431.539 2.639 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260903584 PMJBOHVPXLVSNJ-ICSRJNTNSA-N 439.597 2.997 0 40 IFAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3cccc(OC(F)F)c3)C[C@@H]12 1549163018 ZMKCKTHCODTYDR-GOSISDBHSA-N 435.471 2.696 0 40 IFAB COc1cc(NC(=O)CCC(=O)O)cc2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c12 1280719 RHSNJQXCCIXVRQ-UHFFFAOYSA-N 435.436 2.819 0 40 IFAB Cc1c(Br)c(C(F)F)nn1CC(=O)NCCn1cc(Br)cn1 2781541 ROFJDZXZYBLPFL-UHFFFAOYSA-N 441.074 2.667 0 40 IFAB Cc1nn(CCCNS(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C)c1Br 2803540 DCNCRSDKEAAOBI-UHFFFAOYSA-N 440.314 2.839 0 40 IFAB COc1ccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1F 3511272 SDUSNKBMBHNASP-UHFFFAOYSA-N 443.880 2.866 0 40 IFAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCCn2ccnc2)cc1 6135040 VDMHTMODKAXXSI-QFIPXVFZSA-N 438.553 2.514 0 40 IFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCN(c2ccccc2F)CC1 8710380 BUUFJSSPMLXCBB-AWEZNQCLSA-N 437.566 2.709 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 8728250 YPMQVUFRJJZNGO-IBGZPJMESA-N 443.525 2.523 0 40 IFAB CC(=O)N[C@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 8765292 XCMZMJFBJIDKSB-DJBJKVAOSA-N 435.476 2.923 0 40 IFAB biogenic CN1C(=O)COc2ccc(S(=O)(=O)N3CCCc4cc(Br)ccc43)cc21 8783059 HIYLMQAFZROHLS-UHFFFAOYSA-N 437.315 2.946 0 40 IFAB COc1ccc(-c2nn(CC(=O)NCc3ccco3)c(=O)c3nc(C)sc23)cc1OC 8955661 RKKBHOXMBHGFFD-UHFFFAOYSA-N 440.481 2.755 0 40 IFAB O=C(NCc1noc(-c2ccccc2)n1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8992250 SKTJXOVKIFUGNT-ZDUSSCGKSA-N 438.879 2.589 0 40 IFAB COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)CCC(=O)O)cc1 9060528 RVGJGHVOKKOQRB-IBGZPJMESA-N 445.497 2.609 0 40 IFAB NC(=O)Cn1c(CSc2nnc(C3CC3)n2-c2ccccc2)nc2ccccc2c1=O 9209037 IDRPLWSOKZIUDJ-UHFFFAOYSA-N 432.509 2.632 0 40 IFAB Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N3CC(=O)Nc4ccccc43)cc2)n1C 9614327 HEOHHPHGTCOZAL-UHFFFAOYSA-N 440.525 2.755 0 40 IFAB CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21 9884101 HQUFDXUWYFZATR-UHFFFAOYSA-N 428.514 2.720 0 40 IFAB COc1ccc([C@@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10297095 DVKICZDRHONFLL-LJQANCHMSA-N 433.428 2.556 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)cc1 11613197 BAWUOSMLHTYPBJ-UHFFFAOYSA-N 436.493 2.705 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 11997540 AUBZOCPIHSQJJU-UHFFFAOYSA-N 435.310 2.861 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1OC 12235321 UFTKHHIIQDQVCN-UHFFFAOYSA-N 436.512 2.791 0 40 IFAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 12521792 KNLVQYFXASFNCP-KRWDZBQOSA-N 429.492 2.905 0 40 IFAB CCOc1ccc(Nc2ncccc2C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 12537125 FOBPEUHPWVQYSU-UHFFFAOYSA-N 426.498 2.801 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NC(=O)NC(C)(C)C 12553557 COXIGFYHUBQIDA-AWEZNQCLSA-N 442.607 2.751 0 40 IFAB Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NC1CCCCC1 12715144 LHUWNUMPFDRAMG-ZDUSSCGKSA-N 429.546 2.617 0 40 IFAB Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 12751308 HUEQPWNVNWVUIM-GOSISDBHSA-N 432.567 2.983 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 13505815 UUDPPZKCOPRNFY-UHFFFAOYSA-N 428.489 2.802 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)n1 13572540 NHNSVEGLUJJAHX-QWHCGFSZSA-N 434.974 2.973 0 40 IFAB Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)Nc3cccc4nsnc34)CCC2=O)c1 19077697 RMEYPZUNKXBGNV-UHFFFAOYSA-N 437.481 2.973 0 40 IFAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)CCn4nnnc4C)C3)cc2)cc1 19212372 RSVKVFFOMVBSBW-VWLOTQADSA-N 446.555 2.684 0 40 IFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 19529750 FNDRMHMJFIHCSU-CMCWBKRRSA-N 438.455 2.800 0 40 IFAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 19710853 ONQKMOVCNFHICJ-HXUWFJFHSA-N 425.508 2.858 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CCCN2CCCC2=O)nc2c1CC(=O)N2CC1CC1 19739761 RVKVIEHRTGJFAI-LJQANCHMSA-N 439.560 2.540 0 40 IFAB Cc1cccc(CSCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 20045119 YMGBFVAVTXFIQS-UHFFFAOYSA-N 448.610 2.820 0 40 IFAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Sc1ccccc1 22793838 XAWBQPPAHVUTEA-GOSISDBHSA-N 445.610 2.581 0 40 IFAB CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)ccc1=O 23681269 UIHFWHVBJAGRCG-HZPDHXFCSA-N 432.546 2.857 0 40 IFAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCN(CC(=O)NC(C)(C)C)CC1 24746797 DBVLTJXOHYJYEA-OAQYLSRUSA-N 442.648 2.779 0 40 IFAB CC(C)Cn1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 24754993 SOZHHZHZGKRNQY-UHFFFAOYSA-N 426.428 2.659 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 25538970 BZTVBTRSCDETEF-UHFFFAOYSA-N 430.516 2.623 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)CNc2ccccc2I)c1 30286336 XFPGWCLCFBVLPB-UHFFFAOYSA-N 430.267 2.745 0 40 IFAB C[C@H]1CCc2[nH]c3c(C(=O)N4CCN(c5ncnc6c5cnn6C)CC4)cccc3c2C1 30685958 QBQKXQMSJBEVRG-HNNXBMFYSA-N 429.528 2.932 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 32123957 BNRCGFXRASFFRO-PGRDOPGGSA-N 448.479 2.580 0 40 IFAB biogenic Cc1sc2nc(CN3CCOCC3)n(CC(=O)Nc3cccnc3Cl)c(=O)c2c1C 32747286 OJXPEAMKOBAYFH-UHFFFAOYSA-N 447.948 2.594 0 40 IFAB O=S(=O)(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)CCCC2 32771378 RTSZATQSVCIZOD-UHFFFAOYSA-N 440.612 2.759 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 32910414 LLEGWNBJLLOSSR-UHFFFAOYSA-N 433.445 2.639 0 40 IFAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2ccnc2)cc1OC 33432327 QIQCCDDCTIXATK-JXAWBTAJSA-N 440.525 2.939 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 33518447 KUVZSGRJHYUUNJ-UHFFFAOYSA-N 433.530 2.905 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)cc(OC)c1)C(=O)OC 43746972 QATGDIKBGJSNQD-YHJVDBJQSA-N 430.505 2.672 0 40 IFAB biogenic COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3c2c(=O)[nH]c(=O)n3CCC(C)C)c1 49551754 GTGTWCVOPBDLPY-LBPRGKRZSA-N 434.880 2.959 0 40 IFAB COCCOc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1C 58440637 XZSGXLYKINPMKO-UHFFFAOYSA-N 445.541 2.864 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccccc1Cl 67287310 LURVSZISXTYPFL-KUHUBIRLSA-N 449.935 2.786 0 40 IFAB O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 72303420 NAMZTELOQCIQSF-AWEZNQCLSA-N 439.419 2.700 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CN3C[C@H](C)O[C@@H](C)C3)CC1)N2 72337896 NAKWIZULVAHWKL-UOVPBQLFSA-N 443.514 2.827 0 40 IFAB CCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)[nH]c(C)c1C(C)=O 83817334 RSEHJHAXRJAMML-UHFFFAOYSA-N 437.493 2.500 0 40 IFAB in-vitro COc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)cn1 95472230 SSYZJSLEQIRANP-JTQLQIEISA-N 430.262 2.721 0 40 IFAB COCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(S(N)(=O)=O)ccc21 100873010 MKTGRPRPPAAYGW-LNVKXUELSA-N 441.534 2.891 0 40 IFAB CCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103432119 JXUBNYDFTNBUGI-YXWQFLTLSA-N 436.603 2.737 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC1(c2ccc(Br)cc2)CCC1 107337238 VILGATZUWXEEGD-RPLLJCPNSA-N 429.314 2.752 0 40 IFAB Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 145070105 QCXSPIQLVJHNHV-QFIPXVFZSA-N 444.557 2.868 0 40 IFAB Cc1ccc(N(CCCC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 219630342 SDUXVAPIBDURNC-UHFFFAOYSA-N 428.514 2.908 0 40 IFAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220644785 XBXXZRRLUZYHMO-LJQANCHMSA-N 434.514 2.974 0 40 IFAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(C)c2)c1 224658464 HNHOTFXTWMJDGU-UHFFFAOYSA-N 435.498 2.857 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)C1 225779967 JLLDTHROQLDGFU-AWEZNQCLSA-N 446.935 2.880 0 40 IFAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1nc(C)ccc1=O)[C@H]2Cc1ccccc1 257228826 FVKJYYWLFQPGKX-ULKMUXEJSA-N 448.567 2.553 0 40 IFAB O=C1C[C@H](C(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)C2(CCCCC2)O1 257300989 RWLTUYYCHSSLII-QGZVFWFLSA-N 436.516 2.982 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1 408637130 YEJANBREJGOYNK-UHFFFAOYSA-N 447.340 2.613 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccccc1 408866478 HPFQDCSPPQFANQ-MTGKDYNDSA-N 437.496 2.959 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)NCCc1ccccc1 409160404 YEADTKKZLSAJKU-UHFFFAOYSA-N 437.569 2.608 0 40 IFAB NC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 409204698 JLTDZYWEELVDBO-UHFFFAOYSA-N 429.542 2.968 0 40 IFAB O=C(O)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 575423620 OYKXORHVVLVTPO-SFHVURJKSA-N 443.587 2.777 0 40 IFAB CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 3402310 DAEAWKOMNJOUNC-MRXNPFEDSA-N 436.603 2.517 0 40 IFAB COc1cc(OC)c(NS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1Cl 8589410 IVDCMRVERCCZBD-UHFFFAOYSA-N 429.907 2.844 0 40 IFAB COc1ccc(CNC(=O)C(=O)N[C@H]2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 8991122 PZQBPVXHRHKMEU-JOCHJYFZSA-N 429.476 2.716 0 40 IFAB Nc1nc(SCC(=O)N2CCCc3ccccc32)[nH]c(=O)c1NC(=O)c1cccs1 9599474 OWZVBQGJKHUVRX-UHFFFAOYSA-N 441.538 2.737 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(c3ccccn3)CC2)c1 9613105 FTMMZBJULUAVOF-UHFFFAOYSA-N 447.630 2.940 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 9661056 PEJVVYVCUZUCDC-UHFFFAOYSA-N 449.916 2.559 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccccc1F 9674721 GDAAZRCYTVGVOI-CVEARBPZSA-N 446.236 2.520 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 9684107 FPLTUCHYWLSBFF-TZIWHRDSSA-N 446.525 2.727 0 40 IFAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713365 BDPTWQCFNCRKTN-UHFFFAOYSA-N 431.427 2.534 0 40 IFAB O=C(c1ccc(Br)o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9882555 WFQZYNNDKPESDG-MDWZMJQESA-N 425.304 2.801 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1C(=O)N1CCCCC1 10111272 DHIAESAXOIVCNI-UHFFFAOYSA-N 437.606 2.866 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)COC(=O)c1cc(Br)ccc1O)c1ccccc1 11147814 UPZFJBTXPNQBMJ-SFHVURJKSA-N 444.285 2.951 0 40 IFAB O=C(COc1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694087 BKUCGMJDNKVWCD-UHFFFAOYSA-N 427.888 2.832 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 12555298 CTCGCXKDMLOXFD-NRFANRHFSA-N 437.496 2.692 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C(=O)c4nccn4C)cc3)c(C)n2n1 12556611 JUAXGOQSGJDJDI-UHFFFAOYSA-N 449.540 2.999 0 40 IFAB Cn1c(=O)c2ccccc2n2c(CNc3cccc(I)c3)nnc12 12562163 FTJSUICOSBNHRP-UHFFFAOYSA-N 431.237 2.798 0 40 IFAB CCN(CC)S(=O)(=O)N1CCN(Cn2ccn(-c3cc(C)ccc3C)c2=S)CC1 12565013 CLUWHDKWWBBIKW-UHFFFAOYSA-N 437.635 2.787 0 40 IFAB CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 12761460 FFBKPTOPYYLIHF-UHFFFAOYSA-N 441.553 2.671 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c1 13041029 JEVBCSBDUSPBLC-UHFFFAOYSA-N 446.934 2.870 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14574511 CFUAPFMZRLYIIQ-OKILXGFUSA-N 435.406 2.790 0 40 IFAB Cc1cc(C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)n1C1CC1 16695215 YDFYKHQZSSTIKR-LJQANCHMSA-N 436.574 2.945 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(SCCCOc3ccc(F)cc3)nc2)CC1 17179906 ZEFSPEXDNVZCDT-UHFFFAOYSA-N 425.551 2.718 0 40 IFAB CC(=O)N1CCc2c([nH]c([C@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)nc2=O)C1 19019046 VTEUJFLRIXKZDS-OAQYLSRUSA-N 446.511 2.594 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)C4CCOCC4)C3)n2)CC1 19085286 GMTKCEXDRQSJMF-LJQANCHMSA-N 444.576 2.677 0 40 IFAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 19289007 XHSBCKHFKKZBKY-JOCHJYFZSA-N 437.931 2.783 0 40 IFAB O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[nH]c2=O)C1 19337746 CCFSZQQTUXVPLS-NRFANRHFSA-N 449.555 2.997 0 40 IFAB Cc1nc2ccccn2c1CN1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 19369090 YXOAOMNSJQMIOX-NRFANRHFSA-N 428.964 2.991 0 40 IFAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)o1 19694850 AOFAIHMZQAXCPN-QGZVFWFLSA-N 434.500 2.543 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)cc1 19695324 NXTRTOGBAANAIS-UHFFFAOYSA-N 447.539 2.937 0 40 IFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 20034982 WUJGMCVCGYCATE-CALCHBBNSA-N 427.636 2.633 0 40 IFAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(=O)(=O)N(C)C)c3)[nH]n2)cc1 20096157 LKIMDRTUVZKBMB-UHFFFAOYSA-N 430.486 2.597 0 40 IFAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 20457501 WPAKOZXWMWYXNT-MRXNPFEDSA-N 448.541 2.524 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1 20637676 GVHWNZOHXYTMPF-VQTJNVASSA-N 439.468 2.512 0 40 IFAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(C(=O)c2cccs2)CC1 21936153 VKLUQWGIUCMMKH-UHFFFAOYSA-N 427.570 2.749 0 40 IFAB CCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 22390492 OOGDRYXRWFMGLC-UHFFFAOYSA-N 447.557 2.876 0 40 IFAB O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(Cl)cc1 24135083 HWCIYXGHPQNMIQ-UHFFFAOYSA-N 427.932 2.739 0 40 IFAB CC(=O)NCc1ccc(C(=O)COC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)s1 24737245 BKSACBWNGXAENG-HNNXBMFYSA-N 437.905 2.563 0 40 IFAB COc1ccc(-c2nnc3sc(SCC(=O)Nc4ccccc4)nn3c2=O)cc1 27546534 UZJYDKUIBJGGCA-UHFFFAOYSA-N 425.495 2.952 0 40 IFAB CCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC 30752305 WDYGUFNEJAHQMB-UHFFFAOYSA-N 446.569 2.950 0 40 IFAB COC(=O)C1=C(CSc2nc3ncccn3n2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 32906027 SGHMAQVSZPEENN-QGZVFWFLSA-N 436.497 2.572 0 40 IFAB O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 36365470 IYJAFBWGRVYZTJ-HNNXBMFYSA-N 448.570 2.699 0 40 IFAB O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(=O)n(Cc2cccc(F)c2)n1 38486352 AVFMLWXIBFBKJA-UHFFFAOYSA-N 445.454 2.697 0 40 IFAB C[C@@H](C(=O)OCC(=O)N(C)Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 40150465 WLHDXRDTHSIBPD-LBPRGKRZSA-N 445.871 2.982 0 40 IFAB CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(Oc3c(C)cc(C)cc3C)nc2=O)C[C@@H]1OC(C)=O 43771773 BYNURTBFBRALPC-IPMKNSEASA-N 448.447 2.882 0 40 IFAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 48263970 DXTWXKAYWFCBQL-GHMZBOCLSA-N 443.875 2.919 0 40 IFAB Cc1ccccc1CN1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc21 49402763 WKXRJBCFBXCSJH-UHFFFAOYSA-N 433.917 2.615 0 40 IFAB O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(S(=O)(=O)C(F)F)cc1 72289872 OBIGWCOWHPTNJL-UHFFFAOYSA-N 432.445 2.824 0 40 IFAB CCC(CC)(CNC(=O)c1ccccc1N(C)S(C)(=O)=O)NC(=O)OC(C)(C)C 72305486 ULFVTTNFWIJPMQ-UHFFFAOYSA-N 427.567 2.896 0 40 IFAB O=C1N[C@H](CCC(=O)N2CCC(c3nnc4ccccn34)CC2)C(O)=Nc2ccccc21 79475289 UOTRLORTAPPGRE-GOSISDBHSA-N 432.484 2.616 0 40 IFAB CC[C@](CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)(OC)c1ccccc1 96123813 CYCUBIXGRQFTLW-RUZDIDTESA-N 435.524 2.919 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117850 AMELWWFURHWRLW-RIJMMIMBSA-N 447.535 2.875 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1N1C(=O)CCC1=O 223253874 VEFBSEVUEFHUMJ-CQSZACIVSA-N 428.510 2.877 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1NC(C)=O 223907238 KALJZDNWNABWSF-UHFFFAOYSA-N 430.486 2.833 0 40 IFAB COc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224811834 SJJFRLYIKWRXPL-HNNXBMFYSA-N 430.526 2.740 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224904013 ZQDXWMFCQSKARL-OAHLLOKOSA-N 434.514 2.848 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)N1CCOCC1 257253899 KASYPIOIQIGGAH-QHCPKHFHSA-N 448.571 2.870 0 40 IFAB Cn1nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1CCOc1ccccc1F 257285708 PIJXNLYPOSCEPV-JOCHJYFZSA-N 445.516 2.943 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2cccs2)cc1 408559658 ARCOMJDZYKLHQY-UHFFFAOYSA-N 440.481 2.901 0 40 IFAB CN(Cc1ncccn1)C(=O)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 585101826 DJNABQXQXXMUHH-QFIPXVFZSA-N 446.555 2.550 0 40 IFAB O=C1NCCN(C(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)[C@H]1c1ccccc1C(F)(F)F 1638315568 DHXMZPWJBQZGHU-PBHICJAKSA-N 435.377 2.655 0 40 IFAB CC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](CO)[C@@H]1CN1CCN(C)CC1 1772594894 DXUQERRCXJROQB-ATZDWAIDSA-N 428.499 2.804 0 40 IFAB CN1C(=O)COc2ccccc2CC=CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2nn[nH]c2c1 2037818688 MGNVLYCDGWANAW-FGZHOGPDSA-N 445.523 2.971 0 40 IFAB COCCn1c(S)nc2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc2c1=O 3051770 AFXWCLXKUHFVOV-UHFFFAOYSA-N 445.497 2.610 0 40 IFAB COCCn1c(SCC(=O)NCC(F)(F)F)nc2sc3c(c2c1=O)CCCC3 3328597 XTQBNSLCQRJPLP-UHFFFAOYSA-N 435.493 2.754 0 40 IFAB CCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1 4875951 PDEVIIFWRWKZDQ-UHFFFAOYSA-N 427.501 2.890 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1Cl 6090183 IDFQDGVSYSENLH-UHFFFAOYSA-N 437.949 2.851 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 8451316 METOQEBONMBLPG-UBXANZILSA-N 433.533 2.927 0 40 IFAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 8965583 GECRAKFKWWSYPL-LJQANCHMSA-N 433.464 2.887 0 40 IFAB COc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 9424231 IVUGGJWHEFNALI-QGZVFWFLSA-N 449.525 2.551 0 40 IFAB COc1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)N2CCCC2)cc1 9493826 JDAHAPKVRGGYQN-JOCHJYFZSA-N 445.585 2.577 0 40 IFAB O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9631917 SNLLXHQAJOQFSB-HNNXBMFYSA-N 436.493 2.892 0 40 IFAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1O 10233446 WNYAARBQEVCBMU-UHFFFAOYSA-N 429.480 2.785 0 40 IFAB Cc1ccc(CN2C(=O)NC3(CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)C2=O)cc1 11694160 JYIYLXOLFWIPDO-UHFFFAOYSA-N 441.553 2.887 0 40 IFAB COC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(Br)cc1 12904788 DMZVYZCVIZSFFZ-HNNXBMFYSA-N 433.258 2.814 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)c(C)c1 12926772 YZSZGRLEWINUEL-UHFFFAOYSA-N 446.617 2.848 0 40 IFAB COCCNC(=O)c1c(NC(=O)CSc2nnc(C(C)C)[nH]2)sc2c1CCCC2 12972867 LNDWMDJCURIQQE-UHFFFAOYSA-N 437.591 2.975 0 40 IFAB COc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1S(=O)(=O)NC1CCCC1 13165034 RNFCQZZUFREQQI-QGZVFWFLSA-N 435.546 2.542 0 40 IFAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337625 GJZRAUWHOKQIOW-NRFANRHFSA-N 449.555 2.997 0 40 IFAB O=C1N([C@@H]2CCCN(Cc3cccnc3)C2)C(O)=NC12CCN(CCc1ccccc1)CC2 19699954 OKXWOPBGBBQCAT-HSZRJFAPSA-N 447.583 2.880 0 40 IFAB COc1ccccc1[C@@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1CCN1CCOCC1 20308195 PSDFMXZLTXNLCP-OAQYLSRUSA-N 438.455 2.818 0 40 IFAB CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2cc(C)no2)CC1 22245788 FFKHPAHKMGHAJU-UHFFFAOYSA-N 444.351 2.651 0 40 IFAB COC(=O)C1CCN(C(=O)COC(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 23069609 GYFWHAJCDNCKHB-UHFFFAOYSA-N 430.482 2.569 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 23134972 YLRCNJHYWHLEFA-UHFFFAOYSA-N 440.935 2.601 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c1C 25499306 LZAMGGMVTSVHAW-NRFANRHFSA-N 432.586 2.666 0 40 IFAB CC(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n(N)c2=O)cc1 27546552 GPFCYTFZPUSSNJ-UHFFFAOYSA-N 427.505 2.936 0 40 IFAB COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2Br)nc(=O)[nH]c1C 32747395 LJUULJNEUXLRRO-UHFFFAOYSA-N 426.292 2.667 0 40 IFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 32966750 FQKOVRNRIJDYHN-GOSISDBHSA-N 430.526 2.773 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 36664510 DVAVRHCNAWYFNI-HBUWYVDXSA-N 430.376 2.973 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1Br)O2 38834924 YSRXJFDZWPWTMB-INIZCTEOSA-N 425.304 2.923 0 40 IFAB Cc1ccc2c(CC(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc(=O)oc2c1 58025938 BQWYEXFTBAVDJM-UHFFFAOYSA-N 426.419 2.907 0 40 IFAB CN1CCCN(c2ccc(CNC(=O)Nc3cccc(OCCn4cccn4)c3)cn2)CC1 58167278 LCSOCFKJKRVELM-UHFFFAOYSA-N 449.559 2.821 0 40 IFAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)ccc21 62582181 VJTWIAVSMMUTNN-GOSISDBHSA-N 434.540 2.934 0 40 IFAB COc1ccccc1-n1ccn2c(SCC(=O)Nc3cccc(F)c3)nnc2c1=O 64593099 AIXMNRXPFPXOJQ-UHFFFAOYSA-N 425.445 2.759 0 40 IFAB COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 65087025 XPNUIRLWKPDHNU-UHFFFAOYSA-N 446.569 2.854 0 40 IFAB O=C(NCC1([C@@H](O)c2ccccc2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 89825924 HPAOSJQSWJRRTP-SFTDATJTSA-N 428.554 2.860 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)cc4C)[C@H]3C2=O)cc1Cl 101170629 OFCXBSSECDPKIU-RTBURBONSA-N 441.875 2.897 0 40 IFAB CN(C)[C@@H](CNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O)c1ccccc1 101703656 TVSMCRVHIJCDOC-FQEVSTJZSA-N 438.959 2.977 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 222579974 CWQCAYSAOKBKFU-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 224184212 KSXHKCHRFRGJAM-UHFFFAOYSA-N 447.582 2.586 0 40 IFAB CN([C@@H](C(=O)NCc1cccc(CN2CCCCC2)c1)c1ccccc1)S(C)(=O)=O 224701016 UMNCZSLKPOYJFI-JOCHJYFZSA-N 429.586 2.921 0 40 IFAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224806787 NRMQFYLDXPSCON-UHFFFAOYSA-N 429.878 2.734 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C 225041859 RQBCWRONJGOFFM-UHFFFAOYSA-N 447.538 2.645 0 40 IFAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)c3ccccc3CN3CCCC3)CC2)n1 257222587 DTXHJEIOWWQRES-UHFFFAOYSA-N 435.572 2.934 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccccc2C)cc1 408613972 ZJBZCYCMBVFBMQ-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1 409326321 AERUTLUIMABFOO-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC[C@@H](C)N1CCc2sccc2C1 524986018 TXOJFYJAIXFDEB-MRXNPFEDSA-N 433.599 2.773 0 40 IFAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 1565524234 GSSJFDPWSWEUCH-UHFFFAOYSA-N 432.480 2.904 0 40 IFAB CCn1c(CCCC(=O)NC[C@]2(O)CCCN(c3cc(C)ncn3)C2)nc2ccccc21 2037880097 XYGQLRCPRUCESE-XMMPIXPASA-N 436.560 2.625 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 693383 FFNOISLMCFDMHP-JKALPCAWSA-N 438.480 2.643 0 40 IFAB COc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 916078 OVHKUODTECAHHK-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB NC(=O)C1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)CC1 1105127 IMQUEWODBSANSS-DEOSSOPVSA-N 437.565 2.841 0 40 IFAB COC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2637392 FQEOOQBAOUKJTP-UHFFFAOYSA-N 443.550 2.707 0 40 IFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 8834419 WLZITUKKHHQEKY-SGPHBRAGSA-N 429.263 2.751 0 40 IFAB CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 9089256 UAFQYMCVQFDTFP-UHFFFAOYSA-N 431.496 2.886 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O 9216793 ZDMXCTQBVISBQB-QFIPXVFZSA-N 435.463 2.780 0 40 IFAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@@H]1C=CS(=O)(=O)C1 9302909 LEZJLKDPMQACMM-CQSZACIVSA-N 445.880 2.919 0 40 IFAB O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCc1cccc(Cl)c1 9317740 FQFVDXQNPSOOCH-UHFFFAOYSA-N 428.703 2.809 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1C 9447268 XKGKSGRCRJTODH-ZDUSSCGKSA-N 432.473 2.860 0 40 IFAB COCCCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(Cl)cc1 9481336 XTHUSRLACWYGDZ-CQSZACIVSA-N 425.942 2.947 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1C 9517996 RHOMFDRMFMJQPH-OAHLLOKOSA-N 444.557 2.675 0 40 IFAB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)NC1CCCCCC1 9691297 OJRROPOSJRXTBG-UHFFFAOYSA-N 440.537 2.996 0 40 IFAB CCCCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 9745936 FNDQXZMEKAYMLO-LJQANCHMSA-N 437.606 2.578 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)C2CC2)cc1 9751649 DSSMETTWIQIGOL-QHCPKHFHSA-N 443.450 2.932 0 40 IFAB CS(=O)(=O)NC1CCN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 10043065 ZMWGOTPEQOWHJQ-UHFFFAOYSA-N 447.401 2.676 0 40 IFAB CCCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(OC)cc2)n(C)c1=O 11613332 QHUQYZQOZZVLQS-UHFFFAOYSA-N 436.516 2.556 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c(c2=O)S[C@H](C)C3)cc1 11726680 YPAKBYBSPKASDV-CJNGLKHVSA-N 447.582 2.665 0 40 IFAB Cn1c(=O)c2c(-c3ccccc3Br)n(Cc3cccnc3)cc2n(C)c1=O 12428159 PWUVRLQZQNPUFW-UHFFFAOYSA-N 425.286 2.912 0 40 IFAB COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 13137154 ZNIXQIQTCQUQCB-UHFFFAOYSA-N 433.530 2.929 0 40 IFAB COc1ccc2c(=O)c(Oc3ccc(C(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)c(C)oc2c1 13693271 XBLBVBSQZQXPHG-OAHLLOKOSA-N 443.477 2.819 0 40 IFAB O=C(c1ccccc1Cl)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 15824917 OIRINSVEEBMLMK-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB C[C@@H](OC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)C(=O)Nc1cccnc1Cl 16925587 IXPZLMTVCJUUKL-CQSZACIVSA-N 442.859 2.555 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)CC1 19520274 BHXKJMKJRAKBOM-LJQANCHMSA-N 431.562 2.587 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19553420 WILLQERCGGMVNI-FGZHOGPDSA-N 426.565 2.510 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1ccc(COC)cc1)C2 19752848 CIPVXGZDHIOSAV-IBGZPJMESA-N 437.544 2.589 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)CCNC(=O)c2cccs2)cc1 21538185 BVAUIUXSPBDDKK-UHFFFAOYSA-N 431.514 2.532 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CC(=O)NC(C)(C)C)CC1 21842054 CYQJPXBOTKEEQL-LJQANCHMSA-N 429.609 2.536 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCCC2)cc1OC 22246641 TVRKWFCDUDMURU-HXUWFJFHSA-N 446.569 2.996 0 40 IFAB Cn1nnnc1Sc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 22341935 WPKFKZIWIINNHD-UHFFFAOYSA-N 431.572 2.927 0 40 IFAB CC(C)c1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 22388248 ZALZGZRAGSALEC-UHFFFAOYSA-N 429.586 2.920 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)COC(=O)c1cc(Cl)c3c(c1)OCCO3)OCO2 24272136 YSJLZOPWGSDIHN-UHFFFAOYSA-N 433.800 2.838 0 40 IFAB Cc1cc(NC(=O)[C@H](NCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc2)no1 25215159 YUURWELHFSALCE-JOCHJYFZSA-N 434.496 2.925 0 40 IFAB O=c1c2ccccc2ncn1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 25765267 VJOPZYOQSRUMOB-UHFFFAOYSA-N 434.521 2.514 0 40 IFAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)c(=O)n1N 27546260 YAEZMQVEZZSJGN-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 30852926 WDVIQAIKUVFVQZ-OAHLLOKOSA-N 430.505 2.791 0 40 IFAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(=O)NC1CCCCC1 32910445 AJQSNCXZLHSPER-CYBMUJFWSA-N 440.529 2.748 0 40 IFAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 32911902 QWVKYVMQPYYHTA-GOSISDBHSA-N 444.887 2.839 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 33487595 BAXNPHCJDDZYGS-HSZRJFAPSA-N 441.597 2.883 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)cc1 40400403 JGTOPKYJTGUPEB-KRWDZBQOSA-N 446.467 2.845 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nn2c(-c3cccc(Cl)c3)nnc2s1 41076552 VMKMEQWPOWHHRI-UHFFFAOYSA-N 438.856 2.741 0 40 IFAB O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 48355044 JJOVRPCGZYTDIM-UHFFFAOYSA-N 442.585 2.697 0 40 IFAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58111570 XFUHEVVPGSWOGG-CTNGQTDRSA-N 431.558 2.834 0 40 IFAB O=C(NC[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 60369350 PQPRQFBKFDUROV-SJLPKXTDSA-N 430.524 2.834 0 40 IFAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2C1 62007125 ICCLFRNVJMHNCT-UHFFFAOYSA-N 448.523 2.944 0 40 IFAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)N[C@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 67288913 DJCXHLMRMSEOHT-CVDCTZTESA-N 431.492 2.984 0 40 IFAB COc1ccc(CNC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)cc1 67300630 PXAIGKSZGPWSCZ-UHFFFAOYSA-N 441.915 2.732 0 40 IFAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@H](C)C(=O)N1CCOCC1 71841880 NJMYVOVTUHOBAE-CQSZACIVSA-N 432.318 2.797 0 40 IFAB COc1cccc(CN2CCC(c3nnc([C@@H]4CCCCN4S(C)(=O)=O)o3)CC2)c1 72344915 NOBZVMYIAFMKCL-IBGZPJMESA-N 434.562 2.944 0 40 IFAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc2c(c1)[C@H](NC(=O)C1CCCC1)CC2 72345829 NFOTYCSTDVXJGP-JOCHJYFZSA-N 444.601 2.852 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@H]2CCCO2)CCO1 72389187 UERCIKNBCTVYGK-RDGATRHJSA-N 437.540 2.592 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CN2CCN(Cc3cccc4cccnc34)CC2)cc1 95349091 YVBCCQBSAXOMFN-UHFFFAOYSA-N 431.540 2.693 0 40 IFAB Cc1ccc(N2C(=O)N(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)[C@@H]2C)cc1 95350632 AZTXZFLXNBMQRF-SFHVURJKSA-N 436.512 2.656 0 40 IFAB COC(=O)c1nc(NC(=O)Cn2cc(OC)c(=O)cc2C)sc1-c1cccc(F)c1 95476160 GBWHEKTVLUJWGL-UHFFFAOYSA-N 431.445 2.853 0 40 IFAB O=C(CN1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1)NCc1ccccc1 95947113 CRNBERNWBBOQNB-UHFFFAOYSA-N 435.355 2.866 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 96137209 AWPUYYBSJNGSJX-WOJGMQOQSA-N 443.569 2.860 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)cc2)cc1C 101458464 ZPYHKHAULCOVDP-OALUTQOASA-N 427.526 2.597 0 40 IFAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102858769 JMGMPYKPDRIXKE-BETUJISGSA-N 438.311 2.732 0 40 IFAB C[Sn](C)(Cl)c1ccc([Sn](C)(C)Cl)cc1 195752485 VACHBYNNLGJVQU-UHFFFAOYSA-L 444.566 2.988 0 40 IFAB O=C1COc2ccccc2C/C=C/C[C@]2(CCCN(CC(=O)Nc3nccs3)C2)CN1 257280260 OKESTMAZCFIFSF-CRTIWDKESA-N 440.569 2.861 0 40 IFAB CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@]12CCN(Cc1ccccc1)C2 306143859 YORAQIPWHFLKBE-ZEQRLZLVSA-N 427.614 2.745 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 409267963 YIIGDWMVZMCTGX-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN(C)C)c(OC)c2)cc1 585270834 BOLUCVIPBCXJHF-FQEVSTJZSA-N 432.561 2.906 0 40 IFAB O=C1NCCN(C(=O)c2ccc(Cn3cncn3)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 677621739 SYODABGSYIQJFQ-SFHVURJKSA-N 429.402 2.659 0 40 IFAB CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cc3ccccc3oc2=O)n1 797058 NUMLAKKHXVDQNI-UHFFFAOYSA-N 446.467 2.614 0 40 IFAB Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 4313011 QTZJIXSVTFQGEQ-LBPRGKRZSA-N 425.511 2.659 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccccc1Cl 8703897 JHUBGWSVSFJHDD-UHFFFAOYSA-N 425.894 2.614 0 40 IFAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@]12C(=O)N(C)c1ccccc12 8845621 RPDPIPLXCLHSSR-XMMPIXPASA-N 432.480 2.885 0 40 IFAB CCn1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc(OC)cc2)c(=O)c2cc3c(cc21)OCO3 9184080 DSZOBGKJSDTEHN-ZDUSSCGKSA-N 437.452 2.516 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2F)CC1 9285820 VIKNZKFJXBNDRP-UHFFFAOYSA-N 445.560 2.892 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9465562 GODYOHPDIDVMCH-QGZVFWFLSA-N 437.949 2.941 0 40 IFAB COc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)cc1S(=O)(=O)N1CCOCC1 9502436 NLQPETYCJIQZLU-HUUCEWRRSA-N 446.525 2.853 0 40 IFAB C[C@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1cccs1 9619783 PVOJWPSZMUSBHN-AWEZNQCLSA-N 449.554 2.708 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 9731502 MNIVKJHQYKHKHW-UHFFFAOYSA-N 449.540 2.634 0 40 IFAB Cn1nc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc2c1=O 9737812 PCBOXYQBLFIVJQ-UHFFFAOYSA-N 435.509 2.561 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 9778832 GUCCOZIYITYYCT-JOCHJYFZSA-N 441.597 2.794 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OC 9856723 VIBCTXVOIMVBOU-OAQYLSRUSA-N 444.484 2.582 0 40 IFAB biogenic O=C(NC[C@H](c1ccco1)N1CCCCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998596 PAAQZXWTYPIEKQ-LJQANCHMSA-N 445.541 2.693 0 40 IFAB O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCC2 12642983 RXZQAWHNGSNLLE-KRWDZBQOSA-N 433.551 2.610 0 40 IFAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cn1[nH]c(=O)ccc1=O 12682337 PTLYKITVPSOZHA-UHFFFAOYSA-N 449.898 2.701 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c1 12738126 LHSRXTILKFLXDE-INIZCTEOSA-N 439.486 2.914 0 40 IFAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 12975341 FOHYOGJZTUSWBV-KRWDZBQOSA-N 436.530 2.814 0 40 IFAB CCNC(=O)NC(=O)CSc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1 13135016 JMEKNWURYYOVSN-UHFFFAOYSA-N 438.506 2.871 0 40 IFAB O=C(CCC(=O)c1cccs1)NCCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 16368441 PYGXLKLPRYLPQW-OAQYLSRUSA-N 428.510 2.780 0 40 IFAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(O)cc2C(=O)O)C1=O 16920392 WKPMZKVRNVLANZ-PXNMLYILSA-N 428.422 2.774 0 40 IFAB Cc1ccc(C(=O)N2CCC(c3cc4nc5c(c(O)n4n3)CN(C(C)C)CC5)CC2)cn1 19214821 ZKOPGXAZJJLEAF-UHFFFAOYSA-N 434.544 2.925 0 40 IFAB COc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 19497295 NJSCIVNQSPGCAL-CALCHBBNSA-N 440.544 2.616 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2nonc2N)C1 19528576 OEYHXNWCHBUWPH-XMMPIXPASA-N 433.512 2.920 0 40 IFAB Cc1nn(CCC(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccc(F)cc3)c2N)c(C)c1C 19557078 NGFMHEDUQXPQJO-HXUWFJFHSA-N 438.507 2.979 0 40 IFAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 19562225 OQYZYEIZSYRAIV-UXHICEINSA-N 427.497 2.851 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)cc2)nc(C)n1 19640826 CRDFRHIEYSAUMV-WXRFYESLSA-N 444.513 2.580 0 40 IFAB Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)o1 19761254 MSICIHCVWBFUOX-SFHVURJKSA-N 447.539 2.857 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1C 20455278 MNFZNELBWUODEN-UHFFFAOYSA-N 437.493 2.562 0 40 IFAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1 22202562 USWYXXFJQCTYPQ-FQEVSTJZSA-N 427.570 2.790 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 22928958 SANLMTRHAYBMEQ-DHIUTWEWSA-N 440.592 2.900 0 40 IFAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 23108302 IKOPDLAXYUNAKN-OKILXGFUSA-N 448.449 2.889 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 36352724 GUVAERQISXALRH-LBPRGKRZSA-N 439.896 2.721 0 40 IFAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 36365262 GVXBVCLUIATPPJ-QFIPXVFZSA-N 440.475 2.594 0 40 IFAB Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 39998359 FETRFZDGWQDFIA-SYNHAJSKSA-N 432.567 2.844 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2nc(-c3cccs3)oc2C)cc1 40039290 FQVDPRYYDKRXKG-UHFFFAOYSA-N 434.495 2.936 0 40 IFAB CCN1CCN(S(=O)(=O)c2cc(C)c(Br)cc2Br)CC1 54362992 QOKYGAHLBWPTGE-UHFFFAOYSA-N 426.174 2.846 0 40 IFAB CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)c1 71327328 QYDKVNVALGGIHU-UHFFFAOYSA-N 437.456 2.663 0 40 IFAB CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1csc(N2CCCNC2=O)n1 72304580 WWAIIBUIIFMDAN-IBGZPJMESA-N 441.601 2.976 0 40 IFAB COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1cccnc1OC 72306783 QPTIDDJTFYSWAA-MRXNPFEDSA-N 432.274 2.848 0 40 IFAB O=S(=O)(Cc1cc(F)ccc1F)NCCN1CCN(c2ccc(Cl)cc2)CC1 77200785 OVNDVKGHLXEZAV-UHFFFAOYSA-N 429.920 2.860 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)C[C@H]2C(=O)Nc2cc(OC)ccc2OC)c1 79067345 HRAQNMAZLYFQLT-CALCHBBNSA-N 442.468 2.894 0 40 IFAB COc1cc(OC)c(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)cc1OC 85879652 TZHRRASPDDLWKX-UHFFFAOYSA-N 430.409 2.827 0 40 IFAB biogenic CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)c(Cl)c3)C2)c1 97105716 QWRJIOZQEHMEHW-QGZVFWFLSA-N 445.925 2.961 0 40 IFAB CN(C)[C@H](CNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O)c1ccccc1 101703659 TVSMCRVHIJCDOC-HXUWFJFHSA-N 438.959 2.977 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)o1 101826185 XXHLSKXVEFJNAZ-GASCZTMLSA-N 444.513 2.543 0 40 IFAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1 102248112 FHPQTOCXDIHXDH-NRFANRHFSA-N 425.916 2.992 0 40 IFAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1Cc1ccco1 102285582 FDVDXLOBFVGXNU-HDICACEKSA-N 426.469 2.647 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1 220172896 JZOXLNYHKUSYLN-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(OC)cc1)S(C)(=O)=O 220660925 SOFBKBDQSOZZEV-GOSISDBHSA-N 444.513 2.606 0 40 IFAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220839152 UFVNRAQOBQRDGG-GOSISDBHSA-N 429.484 2.866 0 40 IFAB O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@@H](Cc4nc(-c5ccsc5)no4)C3)ccc2o1 220946978 FRCBNJVWEOOODH-LBPRGKRZSA-N 446.510 2.876 0 40 IFAB COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl 222954422 MERHQDKFQWHQSF-INIZCTEOSA-N 434.920 2.907 0 40 IFAB Cc1cccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C 223930702 LJVOKFQHQPATRC-UHFFFAOYSA-N 448.541 2.774 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(OC)cc(OC)c1 224038336 DMQSXSZQJVDUSP-MRXNPFEDSA-N 430.501 2.645 0 40 IFAB Cc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 224353541 RIIZYVLUXCOCDF-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB COC(=O)CSc1nnc(NC(=O)c2ccc(I)cc2)s1 225719218 HECBVQZALDMNFZ-UHFFFAOYSA-N 435.268 2.660 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225736031 RZTQFAAMKUHXME-ZDUSSCGKSA-N 430.404 2.714 0 40 IFAB COc1ccc(NC(=O)CCc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCOCC1 225788920 IUUJMTTXWNCBMP-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB COCCN1C(=O)Cc2c(C)nc([C@@]3(C)CCCN(C(=O)c4ccccc4F)C3)nc21 257202504 AMDLLPFOGQIQNE-QHCPKHFHSA-N 426.492 2.654 0 40 IFAB CC1(C)C=C(CC(=O)N2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)CC(C)(C)N1 257247171 IXUDELDLZGSESE-HXUWFJFHSA-N 436.560 2.888 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)nc(C)c1CC(=O)NC1CCCCC1 257276591 NUKHXQHYPZTSBD-NQIIRXRSSA-N 428.577 2.970 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C(C)C)nn2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 257323079 WIRJIEGUSXYQPW-HSZRJFAPSA-N 446.555 2.766 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(C(=O)c4ccco4)C[C@@H]3c3cccnc3)C2=O)cc1 306132019 KVTXIMZLRPQIAT-BWKNWUBXSA-N 447.491 2.721 0 40 IFAB CCOC(=O)c1cnn2ccc(NC(=O)COC3CCN(C(=O)OC(C)(C)C)CC3)cc12 1180367158 ZYCAJQYMIYFFLW-UHFFFAOYSA-N 446.504 2.866 0 40 IFAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NC[C@H](O)Cn1ccnn1 1638692745 FQQJCFNAGUXHJR-KRWDZBQOSA-N 425.439 2.815 0 40 IFAB CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4291706 QJOIGYCHTSZUFD-GOSISDBHSA-N 427.501 2.513 0 40 IFAB COCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 6238921 SAYKGULVCBJPDK-UHFFFAOYSA-N 431.558 2.955 0 40 IFAB Cc1ccc(S(=O)(=O)n2c(=O)n(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)cc1 9030592 DVPDNHURCPEZBK-UHFFFAOYSA-N 442.518 2.894 0 40 IFAB CC(C)CCNc1nc2c(c(=O)n(Cc3ccc(Br)cc3)c(=O)n2C)n1C 9190849 COPQCHRWPQLPIW-UHFFFAOYSA-N 434.338 2.703 0 40 IFAB COc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)CC2)cc1 9203699 RBVSWOBLSLLPHR-OVARJBOJSA-N 437.492 2.787 0 40 IFAB CCn1cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccc(C)cc3)c(=O)c2n1 9299757 CGRKIVLWYPJJNG-UHFFFAOYSA-N 437.525 2.971 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(=O)OC)cc4)ccn3n2)cc1 9321197 ZKLAQHYKNDGGKP-UHFFFAOYSA-N 446.463 2.987 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 9365827 OEQZAPIHYXURDD-HNNXBMFYSA-N 438.553 2.988 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 9494016 AWRCNIWXZRQUOV-XMMPIXPASA-N 431.496 2.665 0 40 IFAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 9593879 DARISZRBMUOEPA-OALUTQOASA-N 437.525 2.572 0 40 IFAB O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)NC[C@H]1CCCO1 9831354 AMSPSCXVEAQSTG-LJQANCHMSA-N 445.523 2.515 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@H](c2cccs2)n2nnnc2N1 10232027 VQDFJTUDEALNJZ-AWEZNQCLSA-N 446.286 2.822 0 40 IFAB Cn1ncc2c(SCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)ncnc21 11683456 PXZQIECKLNOCBS-UHFFFAOYSA-N 434.407 2.694 0 40 IFAB COCCNC(=O)C(=O)Nc1ccc(-c2nnc(Nc3ccc(OC)cc3)s2)cc1 11797233 VPBWFVUANJDABN-UHFFFAOYSA-N 427.486 2.658 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@@H](c4ccccc4)C3)CC2)Oc2ccccc21 12086266 UVWSGQKARWMQPE-KBMIEXCESA-N 433.508 2.534 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(c2ncncc2-c2ccncc2)CC1 12117247 XBUMDKWKXRRAJY-PMACEKPBSA-N 447.539 2.810 0 40 IFAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc2C1=O 12612594 ASSIVLRMIMQTBT-UHFFFAOYSA-N 435.528 2.728 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 12691758 AVEDIJDRYFWVJL-UHFFFAOYSA-N 441.553 2.927 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(C)(C)N1CCOCC1 12747759 QALHAMYKWZYLHC-UHFFFAOYSA-N 449.548 2.776 0 40 IFAB C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C[C@@H](C)O1 12772709 ORXBTZAJTMQHQH-GASCZTMLSA-N 429.970 2.562 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCNC(=O)c1ccccc1 12911624 LDKJABGVHYGBAA-UHFFFAOYSA-N 432.318 2.975 0 40 IFAB Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(c4ccccn4)CC3)[nH]c(=O)c2c1C 12978761 SMWSUHOYMFZXQX-OAHLLOKOSA-N 443.598 2.967 0 40 IFAB COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 13015967 RQLGOZRCDRMKII-OAHLLOKOSA-N 438.571 2.791 0 40 IFAB COc1cccc(N(CC(=O)NCCCN2CCCCC2)S(=O)(=O)c2ccccc2)c1 13674716 ZNRSEBWDYRNTGN-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCCOC)N(c1ccccc1)S(C)(=O)=O 13685903 CSWJUZVLHOSPFC-FQEVSTJZSA-N 447.557 2.636 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cccs1 13798839 SUIMLJWQUUJXNR-HAZIXKIPSA-N 443.550 2.519 0 40 IFAB CNS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 14942683 ZCFZCKNCVUKUGE-LZGZYFLISA-N 447.601 2.890 0 40 IFAB COc1cc([C@@H]2O[C@@H](C)Cn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 15106192 PQMKEIHMJPKBMK-PSLXWICFSA-N 447.491 2.928 0 40 IFAB CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 15333401 HAYUJDHRULTSEC-QFIPXVFZSA-N 427.457 2.508 0 40 IFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)c(Cl)c2)C1=O 15858346 DLOUHOCTYFLYAU-HNNXBMFYSA-N 447.944 2.615 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 16006750 RVSWULHQRRABIR-UTKZUKDTSA-N 440.993 2.894 0 40 IFAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N(C)C)n2)CC1 17012646 NCOFDHDIKAGSNY-UHFFFAOYSA-N 447.605 2.668 0 40 IFAB O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Br)o1 17824060 WMXGZNIHWACJJB-CYBMUJFWSA-N 434.290 2.649 0 40 IFAB COCCn1nnnc1[C@@H](c1cccs1)N1CCN(c2nc3ccccc3s2)CC1 19594163 NRKGJWMEXHILQG-GOSISDBHSA-N 441.586 2.902 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1C(C)C 19755177 MBHFBWYLYPPZMU-QGZVFWFLSA-N 432.546 2.850 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 20040710 QMTUWAHMTWOQEC-HXUWFJFHSA-N 430.526 2.524 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 20049438 KHACVHVNAKANNI-UHFFFAOYSA-N 437.493 2.562 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CC2)c1 21965579 GORWZXYMMZQPOG-UUOWRZLLSA-N 426.561 2.780 0 40 IFAB O=C1c2ccccc2C(=O)N1CCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 22216999 ATNAMHRTRDNEEQ-UHFFFAOYSA-N 431.539 2.645 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c(C)c1 22249282 SLQSWAVKKPNOBY-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697693 BNWLBDLAPWHTRM-OAQYLSRUSA-N 447.507 2.511 0 40 IFAB CCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 22928613 BOHDIEASYWINJT-UHFFFAOYSA-N 434.890 2.831 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1 22928954 SANLMTRHAYBMEQ-GOTSBHOMSA-N 440.592 2.900 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)s4)CC3)C2=O)cc1OC 22932364 NNDKNWDCSBMBLK-INIZCTEOSA-N 449.960 2.868 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(OC(F)F)cc1 24067822 WYUCVNHPOWPINI-HNNXBMFYSA-N 427.473 2.733 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)Nc1cccc(Cl)c1 25128601 WKXWYYHOOFBCAD-INIZCTEOSA-N 442.855 2.911 0 40 IFAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 27292502 NBHQOGGYFUGVFE-ZDUSSCGKSA-N 431.851 2.990 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nnsc3Cl)CC2)c(C)c1 32776167 IIHYXJDWXSBQCE-UHFFFAOYSA-N 429.951 2.952 0 40 IFAB CC(=O)N(CCCn1ccnc1)C1(C(=O)Nc2ccc3c(ccn3C)c2)CCN(C)CC1 33592252 DDQREQHSDDJVIU-UHFFFAOYSA-N 436.560 2.717 0 40 IFAB Cc1cc(OC(F)F)ccc1NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 35395500 PCYNIEWDSCUMOA-UHFFFAOYSA-N 445.513 2.603 0 40 IFAB O=C1NC2(CCN(Cc3ccccc3)CC2)c2nnnn2-c2ccc(Br)cc21 35622044 BKTQOAATIPNNMM-UHFFFAOYSA-N 439.317 2.660 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 39476819 PTZGAFGIDGHFJV-ZDUSSCGKSA-N 426.425 2.541 0 40 IFAB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NC1CCN(c2ncccn2)CC1 48285866 VJKTXPCQDUFCHX-UHFFFAOYSA-N 432.528 2.793 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(CC(C)C)s3)n2)cc1OC 61718859 BAQOMFDKUCESII-UHFFFAOYSA-N 429.502 2.616 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H](C)N2CCC(NC(N)=O)CC2)sc2c1CC[C@@H](C)C2 72308778 SFOXTIYZTBPENW-OLZOCXBDSA-N 436.578 2.509 0 40 IFAB CCc1cc(=O)[nH]c(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 72341836 GBKQGRLGFIXKNY-UHFFFAOYSA-N 430.452 2.616 0 40 IFAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC1 72394982 KWKBUERNTLKUIP-GOTSBHOMSA-N 435.568 2.865 0 40 IFAB C[C@@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 77184371 FXZMUBUBQZKXMO-RUZDIDTESA-N 432.476 2.722 0 40 IFAB C[C@@H](NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1)c1cc2ccccc2o1 95961232 LQOGRHBNSHAYKC-LJQANCHMSA-N 426.561 2.630 0 40 IFAB NC(=O)c1ccc(NS(=O)(=O)c2cc(Br)c(Cl)c(C(=O)O)c2)cc1 96009283 IFJWEESEXNJSNQ-UHFFFAOYSA-N 433.667 2.700 0 40 IFAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](c2ncn(C(C)C)n2)CN3S(C)(=O)=O)nc1 96062769 YCLMRLGSPOAILW-QGZVFWFLSA-N 440.529 2.726 0 40 IFAB CO[C@@](C)(CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1F 96123646 QONUUTDSAQXSFR-DEOSSOPVSA-N 439.487 2.668 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1ccc(C)cc1 96521119 LEXFKUVSACOELM-GHMZBOCLSA-N 433.105 2.947 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccccn3)C(=O)[C@H]12 100568208 ONLBMTKUPJXPHO-QTGCHDBNSA-N 438.094 2.848 0 40 IFAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)C1 108174580 AFJRDKZSKWDLSA-UAOJZALGSA-N 428.485 2.951 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222738710 BDXMRPJOPOUUOZ-HNAYVOBHSA-N 448.541 2.888 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223541250 IEAPFLVWHDFYPM-IBGZPJMESA-N 445.585 2.641 0 40 IFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3nc(-c4cccs4)no3)ccc21 224181717 VNKNLFWHOBBLHM-UHFFFAOYSA-N 430.511 2.576 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCC2)cc1 224804462 RXCRNPLYDLWXNU-UHFFFAOYSA-N 447.626 2.941 0 40 IFAB O=C(c1ccc(OCCN2CCOCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257200921 AFJAQOVOUALACV-QHCPKHFHSA-N 447.539 2.956 0 40 IFAB CN(C)c1ncc(CN2CCO[C@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)cn1 257231345 GGGXRQIMSXBMOQ-QFIPXVFZSA-N 440.523 2.610 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 257264118 LTAGUFTZAXIZDA-XMMPIXPASA-N 449.580 2.847 0 40 IFAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3oc4c(F)cccc4c3C)CC2)OC[C@]1(C)O 257288529 PUOFNVDGDRIUGG-AVRDEDQJSA-N 432.492 2.873 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCCN3CCOCC3)cc2)cc1 408591735 JHZKCHRDUGGUAB-UHFFFAOYSA-N 445.585 2.567 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 409058906 ZJZXDWTWQVNAMR-LIFFMEMSSA-O 430.484 2.720 0 40 IFAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)NCCc1ccc(Cl)cc1 2645223 LTCDGFVJFACMOJ-UHFFFAOYSA-N 425.872 2.512 0 40 IFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 4711679 PSRIJNPFPWJPBP-UHFFFAOYSA-N 427.501 2.885 0 40 IFAB COCCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 6904875 HWZUVYDPGZZKTK-IBGZPJMESA-N 427.457 2.516 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCCOc1ccccc1)c1ccccc12 8843691 IYPXFFPMELFPKP-JOCHJYFZSA-N 438.509 2.658 0 40 IFAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCCC1 9216838 YTVYEGLKIAZKSM-GOSISDBHSA-N 447.557 2.640 0 40 IFAB CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 9647191 WWISGOUYGCXISY-UHFFFAOYSA-N 430.526 2.580 0 40 IFAB COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)NC1CC1 9727721 ISHXDQZQMZWJRT-UHFFFAOYSA-N 429.498 2.515 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1F 11719948 RWIKYNJFCSPIQA-AWEZNQCLSA-N 425.551 2.966 0 40 IFAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)cc1 12062215 DKMNTQXRJONYRQ-IBGZPJMESA-N 432.524 2.978 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CC(=O)NCC1(N(C)C)CCCCC1)CC1(CCOCC1)O2 12086905 FNWOSFZQYJQCRX-UHFFFAOYSA-N 443.588 2.760 0 40 IFAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCC3)ncc1-2)Nc1ccccc1Cl 12236856 VWJKTRQPGDJNMQ-UHFFFAOYSA-N 436.903 2.691 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCCC3)c2)CC1 12521537 JAMYNSADAHTUOX-UHFFFAOYSA-N 442.585 2.865 0 40 IFAB CC[C@H](C)[C@H](NC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12)C(=O)O 12664451 XCTRPQGBIPSZOQ-KXBFYZLASA-N 429.521 2.742 0 40 IFAB biogenic O=C1CN(C(=O)CSc2nnc(Nc3ccc(F)cc3)s2)C2(CCCCC2)C(=O)N1 12749707 BZMAGVHHRSRAIU-UHFFFAOYSA-N 449.533 2.701 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 12891335 JVTUEPVFCJVMMT-UHFFFAOYSA-N 442.566 2.925 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(c4nncn4C)CC3)cc2)C1 12974905 ZASDJSLJQUOPFC-CALCHBBNSA-N 445.589 2.502 0 40 IFAB Cc1nn(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(=S)s1 12993323 ZQUCQNZELTVBDS-UHFFFAOYSA-N 449.421 2.709 0 40 IFAB CNS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12997252 ZHBRHNBKSUNFKN-UHFFFAOYSA-N 433.574 2.646 0 40 IFAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 13010677 BWRDEPHLCNANPS-GOSISDBHSA-N 443.569 2.793 0 40 IFAB COc1ccc(/C=C/C(=O)Nn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1OC 13036690 OXRWBFRJTHLOCY-YRNVUSSQSA-N 431.452 2.691 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(F)c(F)c5)CC4)ncnc32)cc1 13036862 HSVDELMOZPLWMG-UHFFFAOYSA-N 435.438 2.760 0 40 IFAB CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713294 OZOQXMRDZZOMGS-IBGZPJMESA-N 434.558 2.916 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 13941730 MMBFTNOUXMNPML-MRXNPFEDSA-N 448.545 2.785 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 14246320 ZAMJRJFWPWJZTQ-JOCHJYFZSA-N 427.570 2.711 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c1 14246378 JUXVSGAJECDFAY-GOSISDBHSA-N 436.917 2.767 0 40 IFAB O=C1CSc2ccc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cc2N1 14421717 FMBCFYFGTVFMPM-UHFFFAOYSA-N 441.538 2.800 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21 17316059 NBQMSQKDGSTCPT-UHFFFAOYSA-N 448.454 2.783 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c(=O)c2C1 19239448 YBLZJYVMYQWYCS-UWJYYQICSA-N 447.539 2.692 0 40 IFAB CCC(CC)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)nn3c(O)c2C1 19500289 NANLFMZODHDAPE-NRFANRHFSA-N 441.576 2.867 0 40 IFAB CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)nc2c1CCN(C)C2 19710893 OAEWQYAMIJTMRP-HNNXBMFYSA-N 427.524 2.819 0 40 IFAB Cc1nc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 19764031 YEYKVRKZMYQJBN-SFHVURJKSA-N 428.508 2.655 0 40 IFAB Cc1nc2ccccc2n1Cc1nnc2sc(CCN3C(=O)c4ccccc4C3=O)nn12 20102470 SKAYGTFDBYQTEG-UHFFFAOYSA-N 443.492 2.731 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccccc1OC 22253124 IYSLIKCEADXUET-AWEZNQCLSA-N 436.530 2.989 0 40 IFAB O=C(OCc1nc(-c2ccccc2)no1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 24835303 AYRZKNJEEZEHOX-UHFFFAOYSA-N 442.478 2.705 0 40 IFAB COC(=O)CCCNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 25054922 VFVCXAIDIQQMTE-UHFFFAOYSA-N 427.910 2.504 0 40 IFAB O=C1C[C@@H](c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)N2N=CNC2=N1 38202361 IRWPGAAHEKVKFY-INIZCTEOSA-N 431.374 2.899 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 40023557 DUZRMICIYLDCEM-JOCHJYFZSA-N 438.553 2.709 0 40 IFAB CC(C)NC[C@@H](O)COc1ccc(Cc2ccc(OC[C@H](O)CNC(C)C)cc2)cc1 45335183 MNVJIHMQUQYNOM-DHIUTWEWSA-N 430.589 2.753 0 40 IFAB in-vitro COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1=O 48988099 CXRIPDIFTWEFHX-UHFFFAOYSA-N 446.463 2.879 0 40 IFAB Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)NCc3ccccc3Cl)c2n1 49002206 JPDSQCKRZYUFEA-UHFFFAOYSA-N 438.915 2.911 0 40 IFAB O=C(Cc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1 67896785 AAPUZIIACSTVGD-RCZVLFRGSA-N 431.492 2.724 0 40 IFAB biogenic,in-vitro CC(C)[C@@H](CNC(=O)COc1cccc(S(C)(=O)=O)c1)N1CCc2ccccc2C1 70040830 GJXSNTLWYOVUEP-JOCHJYFZSA-N 430.570 2.668 0 40 IFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 78752400 DQBUDHYESZWPJZ-GOSISDBHSA-N 443.979 2.993 0 40 IFAB CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ncccc1Br 96010115 GROFGBYVFLRRMO-UHFFFAOYSA-N 432.727 2.781 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1Cc2nc3c(-c4ccccc4)c(C)nn3c(O)c2C1 100215396 AOPQCPKHOGIYLN-UHFFFAOYSA-N 429.480 2.882 0 40 IFAB COC(=O)C1=NN(c2ccccc2OC)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101155499 ANGORLZBWOWZGT-FUHWJXTLSA-N 427.844 2.564 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)c1 101262234 PECZLSSFVGRJFR-RBUKOAKNSA-N 448.439 2.556 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCN(CCNc3cc(=O)oc4ccccc34)CC2)c1 101669265 ROMDZIPVFJIEFK-UHFFFAOYSA-N 437.496 2.680 0 40 IFAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc1)C2=O 102070924 HKNADBLVFFYSLE-OGCKGYDTSA-N 430.416 2.721 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)CCC2 223232532 SGBRCWVXXXRYMW-QGZVFWFLSA-N 427.570 2.602 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224768283 QDJAPMLYYDRIEY-SESVDKBCSA-N 439.556 2.580 0 40 IFAB CN(CCCC(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)c1ccccc1 224792279 YZBCNDVRUDKLST-UHFFFAOYSA-N 429.586 3.000 0 40 IFAB O=C(c1cnc(O[C@H]2CCOC2)c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 253404829 RKSWSBIJQAMDGL-KRWDZBQOSA-N 445.903 2.589 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)nc(O)c2C1 253598484 CCHYIZACWYYFQG-ZWKOTPCHSA-N 428.558 2.953 0 40 IFAB CN1CCN(c2cc(C(=O)N3CCOC[C@H](Cc4cccc5ccncc45)C3)ccn2)CC1 257269642 MQTUCKPIIKVCSZ-HXUWFJFHSA-N 445.567 2.713 0 40 IFAB CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)[C@H](c2ccccc2)C1 257318280 VNFVDUXIDQSRKR-QFIPXVFZSA-N 435.524 2.733 0 40 IFAB CC(C)n1cc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306133770 MVQLOZSXLGNLNT-ILBGXUMGSA-N 446.555 2.651 0 40 IFAB COc1ccc2cc(C(=O)N3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)[nH]c2c1 390829345 DTNKNKDURGXGKC-UHFFFAOYSA-N 440.525 2.982 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 408589349 FCTAOZUQYRHODQ-QGZVFWFLSA-N 435.977 2.972 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1 409018867 XEMBJPLHUZQQPG-UHFFFAOYSA-N 426.513 2.924 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 409389181 GPBNNVIXVNWETD-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB Cc1cc(C)nc(N2CCC3(CC[C@@H](CNS(=O)(=O)c4ccccc4)OC3)CC2)n1 585101084 BVQMDQZKGMHLDW-IBGZPJMESA-N 430.574 2.838 0 40 IFAB O=C(Cc1ccccn1)NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12 585110218 YGHMNTKMCVAUNJ-DHIUTWEWSA-N 441.535 2.829 0 40 IFAB O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCN3CCOCC3)c2)C1 585282105 XSWFFIPUPGJZGR-RUZDIDTESA-N 426.557 2.804 0 40 IFAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CNCCO)cc12 1889553 XCWISVDRIBSOGX-LJQANCHMSA-N 426.513 2.746 0 40 IFAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 3551567 BJROQKFYPRCGFD-UHFFFAOYSA-N 448.516 2.704 0 40 IFAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 3603116 TXHDTSWRCSGSOS-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C)cc1 4571503 YDFBUWZDJQSEFH-FDDCHVKYSA-N 428.533 2.544 0 40 IFAB O=C1CN(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)C(=O)CN1c1ccccc1 6575398 ULPJAHPQOCMEHE-ZJTJJPTCSA-N 425.554 2.895 0 40 IFAB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)cc1 8834804 HEYRKMUTTYGXLP-VOMPUTFMSA-N 438.505 2.788 0 40 IFAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O 8878369 YYOKINWHIOKPNX-WBVHZDCISA-N 429.542 2.517 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 9262980 MBVIOFDCDQTPDR-YOEHRIQHSA-N 433.553 2.714 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)cc2OC)C[S@@](=O)C3)cc1 9413848 DGDGRNRGEDCLTL-PMERELPUSA-N 427.482 2.913 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9514003 KFLNBTHSVHYCPK-SFHVURJKSA-N 442.493 2.670 0 40 IFAB COc1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)c(OC)c1 9761986 YMGLXGSLJLNIPW-UHFFFAOYSA-N 425.463 2.685 0 40 IFAB Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1 9860624 MHEKEANIQYUDEJ-RBUKOAKNSA-N 429.567 2.648 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2=COCCO2)cc1 11444983 OXBOXNWCZPQXFC-AWEZNQCLSA-N 426.425 2.706 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)[nH]c2=O)cc1 12347823 NBGMDTQOOLYXOR-UHFFFAOYSA-N 442.497 2.512 0 40 IFAB O=C(O)C[C@@H](CNS(=O)(=O)c1ccc(I)cc1)c1ccccc1 12375971 QDEDOJNRRGQMJU-ZDUSSCGKSA-N 445.278 2.828 0 40 IFAB CCn1c(SCc2cc3c(cc2Br)OCO3)nnc1-c1nonc1N 12413693 QCIGPMQAVRAPFJ-UHFFFAOYSA-N 425.268 2.714 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3Cl)CC2)c(C)c1 12508924 PHTUBRHEMQFCRZ-UHFFFAOYSA-N 435.977 2.974 0 40 IFAB CC(C)CN(C(=O)CN1c2ccccc2CC[C@@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12608791 WVPOGDDERSZDQV-KRWDZBQOSA-N 441.576 2.605 0 40 IFAB Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1 12628550 IGOAERVYUKGJSM-HXUWFJFHSA-N 442.516 2.863 0 40 IFAB CCc1n[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)n1 12780318 FSPVFQFAPMHZKW-OKILXGFUSA-N 437.591 2.765 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12811386 BWZGUUARGGMZTA-UHFFFAOYSA-N 433.555 2.666 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 13005531 QRSBZXURSRPHST-XJKSGUPXSA-N 445.379 2.779 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)n2C)cc1 13017769 QXGCLKADUDGAOG-UHFFFAOYSA-N 442.541 2.535 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13109495 QWQVVCYMLAIGSD-GJZGRUSLSA-N 449.488 2.646 0 40 IFAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)C1=O 13724588 MUXYFKNCQOYDSP-UHFFFAOYSA-N 442.946 2.521 0 40 IFAB C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc(-n2cncn2)cc1 14777482 MPQRBDRVBOSSRT-OAHLLOKOSA-N 445.570 2.994 0 40 IFAB COc1ccc2c(COC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)cc(=O)oc2c1 15335659 GQXQMSFUUAKRSG-NRFANRHFSA-N 445.493 2.848 0 40 IFAB CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 15525291 FDZLVUOUCDMVKA-MRXNPFEDSA-N 432.542 2.876 0 40 IFAB COc1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c(OC)cc1Cl 15970456 JAVWISRDBNLKDN-UHFFFAOYSA-N 428.894 2.868 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)c1 17171385 YMXVDTSKHNAYIS-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)NC1CC1 18243964 VZLBJLFDDXFMDY-FQEVSTJZSA-N 439.899 2.984 0 40 IFAB CC(C)S(=O)(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19451040 PRRUQVUBXWFEMI-LJQANCHMSA-N 433.578 2.611 0 40 IFAB CCCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502669 HZLVBFKKBZIRBW-DHIUTWEWSA-N 433.552 2.872 0 40 IFAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)Cc3ccccc3F)CC2)n1 19756300 KWMFZNQFUMLUPM-UHFFFAOYSA-N 449.530 2.908 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 20014233 YDWSATXLJCLQPT-AWEZNQCLSA-N 440.949 2.996 0 40 IFAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1OC 20022636 YBNSZEMQAONEQZ-HNNXBMFYSA-N 436.530 2.519 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)c(OC)c1 20130890 KAXBGJGVBXLJMY-UHFFFAOYSA-N 445.475 2.867 0 40 IFAB COc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2N2CCOCC2)cc1 21522564 APVRDMCTWCXAOF-UHFFFAOYSA-N 444.509 2.930 0 40 IFAB O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)N1CCN(c2ccccn2)CC1 22931516 AMOPBLDBBCYDQA-UHFFFAOYSA-N 427.980 2.592 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 24610130 FUXLWIOCEQTMRI-UHFFFAOYSA-N 434.489 2.793 0 40 IFAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCN(CC(=O)NC(C)(C)C)CC1 24746802 DBVLTJXOHYJYEA-NRFANRHFSA-N 442.648 2.779 0 40 IFAB Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 24817811 CBELBGUHWSMUJJ-UHFFFAOYSA-N 429.361 2.966 0 40 IFAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCN(C(=O)c3ccccc3)CC2)C1=O 25747412 SWVCZKUXYODOQT-QFIPXVFZSA-N 426.904 2.523 0 40 IFAB Cc1ccc(SCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 30851457 XPLJNBPZVRLIMP-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB CC(=O)NCCc1ccc(C(=O)COC(=O)Cc2csc(Cc3ccccn3)n2)cc1 32922149 MGLHJUARXKNBMB-UHFFFAOYSA-N 437.521 2.776 0 40 IFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc21 36367058 ZELPDPXVKQGBBM-NRFANRHFSA-N 429.423 2.952 0 40 IFAB CCOC(=O)CN(CCOC)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 48299478 DDMOUYUUNZORDF-HXUWFJFHSA-N 427.501 2.777 0 40 IFAB COc1ccc(CNC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)cc1 57486476 WOSYGKCVGVDNMZ-UHFFFAOYSA-N 437.887 2.869 0 40 IFAB CC(=O)NC1(CC(=O)N2CC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)CCCCC1 72374721 ZJBPWNSROKLWBG-GOSISDBHSA-N 436.560 2.974 0 40 IFAB O=S(=O)(c1ccc(N2CCC[C@@H](n3nccc3C(F)(F)F)C2)nc1)N1CCCC1 95994813 STAMVFWKBBDRGN-CQSZACIVSA-N 429.468 2.923 0 40 IFAB CC(C)c1nc2ccccc2n1CCNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O 96116469 VHQYZBCEFIKJEI-IBGZPJMESA-N 433.512 2.807 0 40 IFAB biogenic CS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccc(Cl)cc1 96520980 ORXRQPJAGDSCDS-IUCAKERBSA-N 439.496 2.902 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 106015601 HIRQDSRUPIDXSW-DFYYWFRZSA-N 434.279 2.893 0 40 IFAB COc1ccccc1N(CCCC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O 223460214 JREDVMOLAQDLLQ-UHFFFAOYSA-N 442.541 2.744 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 223592624 NZCCCCTTXSQVMI-UHFFFAOYSA-N 445.526 2.601 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224221226 VKKBJLCNUIHXSF-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB COc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 224343832 VVCDGWOLMLJBLT-UHFFFAOYSA-N 432.542 2.526 0 40 IFAB COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)s1 225275319 HBDVZWBJDXGJSA-QMMMGPOBSA-N 432.321 2.972 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3ccccc3OC)S(C)(=O)=O)s2)cc1 225859780 QOLFBQBRSRFONG-UHFFFAOYSA-N 448.526 2.627 0 40 IFAB Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 248121780 XTNGUQKDFGDXSJ-BTMIILLNSA-N 444.524 2.968 0 40 IFAB in-vitro O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccncc3)CC2)Oc2ccccc21 253616706 OBDFZWDFKFNIEJ-UYFZRMNSSA-N 446.551 2.681 0 40 IFAB CCn1cc(CN2CCO[C@@H](c3cc(CCOc4cccc(OC)c4)n(C)n3)C2)cn1 257248494 JDWUSRYNWJASQH-HSZRJFAPSA-N 425.533 2.840 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(Cc4ccccn4)C[C@H]3c3cccnc3)C2=O)cc1 306138710 SEWGFURLIKUMSB-AZGAKELHSA-N 444.535 2.882 0 40 IFAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc1OC 409012291 QDHNEIOLYYPRRW-HMHNVIDESA-N 437.470 2.625 0 40 IFAB O=C(O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 409231829 KWUYKCBLCBZTPP-LZYBPNLTSA-N 430.413 2.964 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc2ccc(OC(F)(F)F)cc2s1 680530406 VPVLVVQDSPUQFS-DMAMZFHHSA-N 437.399 2.941 0 40 IFAB O[C@H]1CO[C@H](Cn2cc(-c3ccccc3)nn2)[C@@H]1NCc1ccc(OC(F)(F)F)cc1 1549159253 VQCPLGRESOOBTA-XUVXKRRUSA-N 434.418 2.762 0 40 IFAB COc1nn(C)cc1C(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889036828 QTRDVJGBYWSGOO-UHFFFAOYSA-N 429.484 2.849 0 40 IFAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(OC)c1OC 1428362 KITTXXFTNDAZDS-UHFFFAOYSA-N 444.469 2.556 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1 2659928 QOBMBJQFYPDGRM-HNNXBMFYSA-N 446.525 2.557 0 40 IFAB CCCOc1ccc(-c2nnn(CC(=O)NCCc3ccc(OC)c(OC)c3)n2)cc1 4213513 CCDVQFJRYJMUKD-UHFFFAOYSA-N 425.489 2.505 0 40 IFAB Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 8602268 QTZJIXSVTFQGEQ-GFCCVEGCSA-N 425.511 2.659 0 40 IFAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1C1CC1 8900400 ALMBIQIVMGVEPI-ZDUSSCGKSA-N 435.575 2.825 0 40 IFAB O=C(c1ccc(Br)o1)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 9060768 UTPAJZXCNJOVEN-UHFFFAOYSA-N 442.335 2.505 0 40 IFAB O=C(CSc1ncnc2ccccc12)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9119444 BLNUCNJCKBOPSX-QGZVFWFLSA-N 427.551 2.938 0 40 IFAB COc1ccc(Cn2c(C)cn3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)cc1 9187745 XXSNIBVVFPQBMJ-UHFFFAOYSA-N 447.470 2.702 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 9192190 BELKNJSXEGOTSX-UHFFFAOYSA-N 443.569 2.507 0 40 IFAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)c1 9215788 NDFJMKGOIGEMRG-BRYHAGSVSA-N 434.514 2.504 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CCNS(=O)(=O)/C=C/c1ccccc1)CC2 9594754 WSTOVUOEOFQKAA-JLHYYAGUSA-N 430.526 2.569 0 40 IFAB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3F)C2)c1 9677759 BBNORZNVJHKBGP-GOSISDBHSA-N 425.507 2.698 0 40 IFAB COC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1Cl 9695206 YRUHOSLZAZFKQJ-WRWORJQWSA-N 443.308 2.782 0 40 IFAB Cn1c(=O)c2c(nc3n(-c4ccccc4O)c(C45CC6CC(CC(C6)C4)C5)cn23)n(C)c1=O 12427932 JYLWPMMFXYBLAD-UHFFFAOYSA-N 445.523 2.849 0 40 IFAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 12556289 ANWUXKCRFMEXBT-OAQYLSRUSA-N 434.584 2.744 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(c4nncn4C)CC3)cc2)C1 12974906 ZASDJSLJQUOPFC-IRXDYDNUSA-N 445.589 2.502 0 40 IFAB COc1ccc([C@@H]2C[C@@H](c3ccc(OC)cc3)n3nc(NS(C)(=O)=O)nc3N2)cc1 13123310 DFFHLYOVNRJNQG-ROUUACIJSA-N 429.502 2.813 0 40 IFAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1OC 15858441 HOBDVBCTAHQMLB-NSHDSACASA-N 438.889 2.922 0 40 IFAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 16001552 HVGKNCXAETYDEW-QPXQOZNCSA-N 437.883 2.780 0 40 IFAB O=C(NC1CCC(O)CC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19372461 HNPCJMABFYQJIH-BBITVKMKSA-N 449.599 2.712 0 40 IFAB CC(C)N1CCN(CC(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@H](c3csnn3)C2)CC1 19447989 ODZYXEAHADMFHE-MOPGFXCFSA-N 434.009 2.927 0 40 IFAB Cc1cc(C(=O)N2CCC[C@@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C2)c(=O)[nH]c1C 19763221 WUPTXNZWILZZQG-GOSISDBHSA-N 437.544 2.736 0 40 IFAB COc1ccccc1NC(=O)c1cnc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc1C 19764021 KNDSYJGLTFKVIS-UHFFFAOYSA-N 434.500 2.799 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(CN2CCOCC2)c1 20039146 HNNPZFQUQOWAAR-UHFFFAOYSA-N 429.542 2.556 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(Cl)cc1 20637091 MOVQWURCHKZERE-UXHICEINSA-N 440.931 2.868 0 40 IFAB CCOC(=O)c1c(C)oc2nc(CSc3nnc(N(C(C)=O)C4CC4)s3)nc(N)c12 22520724 YTYCTZSIDPZTDR-UHFFFAOYSA-N 448.530 2.949 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1OC 24258389 JXVZTPOQAHZUSQ-UHFFFAOYSA-N 427.526 2.759 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCOc2ccccc21 28665818 PETXRNWBCCPLHR-MRXNPFEDSA-N 444.431 2.894 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 30869729 CXBVOVMKOBOXFZ-UHFFFAOYSA-N 440.861 2.537 0 40 IFAB Cc1cc(Br)oc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 40140154 YNUGQLNMYZJVNC-UHFFFAOYSA-N 429.292 2.624 0 40 IFAB C[C@H](C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 40150397 GFAXKPUUWYFLJE-QGZVFWFLSA-N 446.544 2.728 0 40 IFAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 40478538 OQCVTULUMIJKOH-UHFFFAOYSA-N 441.484 2.628 0 40 IFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O 44840510 QMCTYWSPBUUJJW-KRWDZBQOSA-N 438.503 2.622 0 40 IFAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(OC)c(OC)c1 44856883 JEGFZNXASLILQX-KKSFZXQISA-N 448.541 2.807 0 40 IFAB COc1ccc(NC(=O)c2c(O)c3c(C)c(C(=O)N(C)C)sc3[nH]c2=O)cc1OC 49008061 BUVZPGILIVDEDI-UHFFFAOYSA-N 431.470 2.575 0 40 IFAB CC1CCN(C(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)CC1 56949788 MKCKHXOPUURCMF-UHFFFAOYSA-N 425.529 2.599 0 40 IFAB O=C(Cc1ccc(F)cc1)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 72352089 UOKHQCOMRDTFHZ-UHFFFAOYSA-N 448.498 2.657 0 40 IFAB COc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1 95348998 NCAKQPCMCZNBEU-UHFFFAOYSA-N 433.911 2.952 0 40 IFAB O=C(O)[C@H]1CCCN1C(=O)CC12CC3CC(C1)CC(CC(=O)N1CCC[C@@H]1C(=O)O)(C3)C2 95870105 BCSUFOPZBYZULJ-LSCPOEDISA-N 446.544 2.504 0 40 IFAB Cc1ccccc1N(CCCC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 222553263 ZHQJBDFYWWTUQF-UHFFFAOYSA-N 429.586 2.886 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224631454 PADRITYIPNBUNV-HNNXBMFYSA-N 433.530 2.628 0 40 IFAB CN([C@@H](Cc1ccc(I)cc1)C(=O)O)S(=O)(=O)c1ccccc1 225159591 RVBUYLLYNQQVIT-HNNXBMFYSA-N 445.278 2.608 0 40 IFAB CCn1nc(C(=O)N(C)[C@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@@H]2O)cc1C 257202897 ANVRMTJLHCLKEQ-WPFOTENUSA-N 426.561 2.661 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)nn2c(C)c1CCC(=O)N1CCCC1 257247189 IXVVVGCXTGGQFN-LEWJYISDSA-N 439.560 2.744 0 40 IFAB O=C1C[C@@H](C(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)C2(CCCCC2)O1 257300988 RWLTUYYCHSSLII-KRWDZBQOSA-N 436.516 2.982 0 40 IFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 408693378 RBHHTGWSLIYTKZ-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408771182 DIOSDWJZGSKCHW-OAHLLOKOSA-N 436.530 2.822 0 40 IFAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccccc1F 409209525 CDOPYUYDWWNOTL-UHFFFAOYSA-N 427.505 2.969 0 40 IFAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCN3CCOCC3)ccc21 643583769 KYEMBAONRSUHDX-UHFFFAOYSA-N 444.620 2.791 0 40 IFAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)c1 1889184593 LRIQITLNDFIPER-HIFRSBDPSA-N 429.468 2.777 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 3361228 PWFVKAHLKALOHC-GJZGRUSLSA-N 442.965 2.786 0 40 IFAB CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC(C)=O)cc3)N2C1=O 3636782 NQOHBBOMKJQTJR-SJLPKXTDSA-N 432.498 2.840 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(Br)c3)C(C(=O)[C@@H]3CO3)=N2)cc1 8691096 YCFBQVVNYQQKNC-SJORKVTESA-N 449.326 2.870 0 40 IFAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2Cl)CC1 8831692 IYTWXQABSIHABY-UHFFFAOYSA-N 446.960 2.901 0 40 IFAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)c(OC)c1 8943974 JSRJBOIAMWQLBB-IBGZPJMESA-N 443.569 2.887 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)c(C)c1 8961631 KSGXWPNCVJACGS-UHFFFAOYSA-N 431.514 2.999 0 40 IFAB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 9216876 LHUGVOQXHIHALB-VBKZILBWSA-N 443.525 2.940 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ccn3n2)cc1 9321198 YFASHJDWMSPYBS-UHFFFAOYSA-N 446.463 2.972 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2cccc(C)c2)Oc2ccccc21 10009150 OLJCSHUSZRTPAN-FQEVSTJZSA-N 434.583 2.962 0 40 IFAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1ccc2c(c1)OCCO2 10166357 WDOGEAXHMZFRBC-UHFFFAOYSA-N 448.475 2.987 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1 10447394 OSWQHJDXCYXDCP-UHFFFAOYSA-N 434.514 2.581 0 40 IFAB COc1cc(NC(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)cc(OC)c1OC 11031081 JOUAKHDKMKXBEJ-UHFFFAOYSA-N 434.470 2.918 0 40 IFAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2 12602407 GRFJXQPZIXJXAF-AJSBUHFISA-N 433.552 2.914 0 40 IFAB biogenic,in-vitro O=C(CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1)NC1CC1 12617738 LHSPQWYAAWXCHM-UHFFFAOYSA-N 443.551 2.635 0 40 IFAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(N)=O)CC2)cc1OC 12738816 UENRENYWUUQXRC-UHFFFAOYSA-N 434.496 2.894 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1 12892246 DBIKGRWMQDSEGL-UHFFFAOYSA-N 437.544 2.598 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)c(OC(F)F)c3)C2=O)cc1 12904803 ZXLQDLYJWWMFES-OAQYLSRUSA-N 449.410 2.711 0 40 IFAB Cc1nn(CC(=O)NCCC2=CCCCC2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12911039 YIHZWXLYNBKQEA-UHFFFAOYSA-N 434.562 2.920 0 40 IFAB COc1cc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc34)NC(N)=N2)cc(OC)c1 13579223 YHJQKHAMPIQDOJ-IBGZPJMESA-N 438.513 2.830 0 40 IFAB O=C(CCC(=O)N1CCOCC1)/N=c1\sccn1Cc1ccc(Cl)cc1Cl 14114384 WCFJUFKFHXMINO-UZYVYHOESA-N 428.341 2.971 0 40 IFAB O=C(CCN1C(=O)CSc2ccccc21)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14140233 NGLMJIKEBLAYAZ-UHFFFAOYSA-N 437.565 2.795 0 40 IFAB CCn1c(=O)c2cc(Br)ccc2n(CC(=O)c2ccc(OC)c(OC)c2)c1=O 14164143 SWKYSSMWXSBIQC-UHFFFAOYSA-N 447.285 2.846 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc3ccccc3c2)NC(=O)N1CCCC(=O)O 14196580 MHFURERLGDEAIW-QFIPXVFZSA-N 437.496 2.904 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 14198104 MPUPGYNRZLDDFE-UHFFFAOYSA-N 439.331 2.610 0 40 IFAB COc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 16517170 XCEMEICMFCVZHO-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB Cc1nn(C(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCOCC1 16975963 IVMZVEDPLYZPSA-UHFFFAOYSA-N 435.546 2.538 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 17960730 ZVCNZTRSKBVGLC-FQEVSTJZSA-N 443.569 2.828 0 40 IFAB O=C(Cc1noc2ccccc12)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 19198159 LJUDDALIXYPYKQ-UHFFFAOYSA-N 435.889 2.683 0 40 IFAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527638 CBWQRFVGCQBNQR-VXKWHMMOSA-N 433.552 2.681 0 40 IFAB Cc1sc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)nc1-c1ccccc1 19641646 ZAMXWRZTSXNGQZ-UHFFFAOYSA-N 444.586 2.810 0 40 IFAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)C[C@@H]3CCCCN3C)CC2)n1 19757120 OVQZSJCOEFBVJR-FQEVSTJZSA-N 427.593 2.677 0 40 IFAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)Cc3ccccc3)CC2)n1 19759049 PPPZPYNAIRYLBY-UHFFFAOYSA-N 431.540 2.769 0 40 IFAB COc1cc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1OC 22865237 DEEQZGJIHBFNSQ-JXMROGBWSA-N 425.529 2.982 0 40 IFAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 22930042 IAHYMBCICRECRE-OAQYLSRUSA-N 449.624 2.805 0 40 IFAB CNC(=O)c1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 24922208 RNZSXSPKPKCETR-UHFFFAOYSA-N 438.553 2.745 0 40 IFAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2OC)n1 27748616 PSZOHRLPRGLVEM-UHFFFAOYSA-N 434.699 2.947 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@@](C)(CC)[C@@H]3C2=O)cc1 32594609 XWCNBSANBFCENW-QAJFTPDKSA-N 432.523 2.945 0 40 IFAB C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)COC1(C)C 35529538 QMRGOZHWQFEGGB-VBKZILBWSA-N 438.480 2.962 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC 38834986 DXDXFAVYSFHZDI-KRWDZBQOSA-N 426.878 2.523 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2)C[C@@H](C)O1 48361811 PXOIKHNYSZSKKA-AOOOYVTPSA-N 432.474 2.526 0 40 IFAB COC(=O)c1ccc(NC(=O)c2c(S(=O)(=O)Nc3ccc(C)cc3)n[nH]c2C)cc1 49003339 UHSWDTLFNAJDMP-UHFFFAOYSA-N 428.470 2.866 0 40 IFAB Cc1nc(NC(=O)[C@@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)sc1C(=O)N(C)C 49025907 BTOJKGVJOKSZJE-GFCCVEGCSA-N 429.477 2.716 0 40 IFAB C[C@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 49611711 JRXFJNAEAZEJBZ-KRWDZBQOSA-N 439.512 2.792 0 40 IFAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)NCc1ccc(F)cc1F 51316739 SSQXUSKKCGCADJ-UHFFFAOYSA-N 427.436 2.796 0 40 IFAB Cc1occc1C(=O)Nc1nc(CC(=O)N(C)Cc2nnc3n2CCCCC3)cs1 58054854 CQOXSYAPLIGDDB-UHFFFAOYSA-N 428.518 2.816 0 40 IFAB O=C(CCN1CCOCC1)Nc1cc(NC(=O)N2CCC[C@H](N3CCCC3)C2)ccc1F 58289449 YLVZGYXXFAYKBI-IBGZPJMESA-N 447.555 2.579 0 40 IFAB COc1cc(C(=O)O[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1OCC(N)=O 58613102 BXZREHZKWRKKBE-LBPRGKRZSA-N 429.404 2.975 0 40 IFAB O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(Cn2ccnc2)CC1 62128718 WKKCVIAPMQXQDR-INIZCTEOSA-N 431.334 2.937 0 40 IFAB CCOC(=O)c1cccc(S(=O)(=O)Nc2ncccc2I)c1 72289733 SFKLLOGCHPWJSM-UHFFFAOYSA-N 432.239 2.664 0 40 IFAB Cc1cc(C(=O)N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)on1 72348037 HKRKGDRDQOYWJX-GOSISDBHSA-N 434.500 2.691 0 40 IFAB C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 95430481 NCSHHLFIFHJFRV-NQIIRXRSSA-N 430.593 2.952 0 40 IFAB C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 95430482 NCSHHLFIFHJFRV-RXVVDRJESA-N 430.593 2.952 0 40 IFAB Cc1ccc(-c2nn(Cc3ccccc3)cc2CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1C 95997217 MUKSKHQIQPVCJG-JOCHJYFZSA-N 429.524 2.951 0 40 IFAB O=C(NCC(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2)OCc1ccccc1 96104162 HFXVTDYWGUIVDW-PMSBKCLSSA-N 442.537 2.909 0 40 IFAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4ccsc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143825 UNIKROGVOSHFON-WMZHIEFXSA-N 429.586 2.851 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(OC(F)(F)F)cc1 102128353 JFNJOVQWOBZHIP-GJZGRUSLSA-N 442.390 2.632 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c1 206846535 VCMWHKTZYSGWAH-MRXNPFEDSA-N 431.470 2.541 0 40 IFAB COc1ccc(N(CCCC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 222607705 XAPWPWATCMIBOR-UHFFFAOYSA-N 444.513 2.608 0 40 IFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224228940 ZRCDUUHOYWMNFN-AWEZNQCLSA-N 426.922 2.553 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 226035513 HMVADJFHMPRYND-UHFFFAOYSA-N 446.525 2.549 0 40 IFAB Cc1cc(OC2CCN(C(=O)[C@@H]3CCCN3c3nc4ccccc4o3)CC2)cc(=O)n1C 238960366 YKEKWTIMUCCGOI-FQEVSTJZSA-N 436.512 2.874 0 40 IFAB C[C@H]1CN(c2nc(O)c3c(n2)CN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)C[C@@H](C)O1 257293014 QNUMIIOHSBFBEM-ZACQAIPSSA-N 440.544 2.761 0 40 IFAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 306142456 WZOWWVGXUCVAFN-UHFFFAOYSA-N 438.513 2.615 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408557722 HNWBFVWKDMHTAB-UHFFFAOYSA-N 442.921 2.681 0 40 IFAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 408602060 HPHVTCLFGCOWMG-KRWDZBQOSA-N 449.548 2.629 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 408654412 BNIWKIPDMNTOKH-SFHVURJKSA-N 436.464 2.874 0 40 IFAB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)c1 408657887 PSLGMUOAXBJPAR-INIZCTEOSA-N 443.887 2.632 0 40 IFAB COc1cc(C(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc(OC)c1OC 409019569 UNCMKUVBCFRCFU-UHFFFAOYSA-N 426.513 2.924 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1ccc(N2CCOCC2)cc1 409161314 NCSWNGIARGIIPK-CPNJWEJPSA-N 439.493 2.904 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCC(=O)O 409216299 JZTYHTKIFZDJNK-GFQQVXNGSA-N 437.470 2.927 0 40 IFAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21 514288464 ASAGFQZYDHALKY-MBSDFSHPSA-N 445.922 2.513 0 40 IFAB biogenic,in-vitro CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc(OCCN2CCOCC2)c1 524734298 RCGHKZWSUQDLLG-UHFFFAOYSA-N 436.512 2.949 0 40 IFAB CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)S1(=O)=O 575414122 LJFNDFXBHCTGLF-UHFFFAOYSA-N 437.525 2.883 0 40 IFAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCCN(C)C)c(OC)c2)c1 585274440 WPGUPHUVUHAAKO-HXUWFJFHSA-N 432.561 2.906 0 40 IFAB O=C(c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604404421 NACDMAFBAYCMTJ-OLZOCXBDSA-N 445.397 2.848 0 40 IFAB biogenic Cc1nc(O)cc(C(=O)N2CCCN(C(=O)CC(C)C)c3ccccc3CNCC2)n1 643557761 WIMIIWGTZIXYPO-UHFFFAOYSA-N 425.533 2.505 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(C(=O)c1cccnc1)CC2 1549168461 WWTRQNQYXDFGNU-NRFANRHFSA-N 434.540 2.793 0 40 IFAB CCc1nnc(-c2cccc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)c2)o1 1634522996 OUZUVICXNZIKCE-MJGOQNOKSA-N 438.459 2.581 0 40 IFAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)C3CCCCC3)C[C@H]1CO2 1772594603 ORTKVLTVDFCYIH-SFHVURJKSA-N 435.590 2.790 0 40 IFAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775975693 MGNWXLLINHOXKQ-UHFFFAOYSA-N 448.401 2.832 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 2392040 PFYWRQBKLDYJJJ-UHFFFAOYSA-N 441.513 2.964 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 2726405 ZFRWGAOGRGYXBT-UHFFFAOYSA-N 447.626 2.930 0 40 IFAB COC(=O)[C@@H](C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(Cl)cc2nc1O 8653480 NWTHLIWIZUXDIM-MRXNPFEDSA-N 441.827 2.656 0 40 IFAB COC(=O)[C@@H](Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)C(=O)Nc1cc(C)ccc1C 8653649 BELSWYSWNHPMHA-AWEZNQCLSA-N 441.871 2.733 0 40 IFAB COc1ccc(CNC(=O)Cc2c(C)c3cc(OC)c(OC)cc3oc2=O)cc1OC 8751924 TUHVOYQJMICNPA-UHFFFAOYSA-N 427.453 2.995 0 40 IFAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC(C)C)cc1 8943407 BRWRSHOCCCQXNE-UHFFFAOYSA-N 444.561 2.824 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)cc1 9440968 HQTOQUTVWCZSIK-NTCAYCPXSA-N 444.553 2.632 0 40 IFAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c23)C1 9493380 KOBDYNZIRHPFFW-RYUDHWBXSA-N 425.601 2.554 0 40 IFAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@@H]1CCS(=O)(=O)C1 9612448 DHGPJYLUAKPLQR-QGZVFWFLSA-N 440.550 2.601 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)C(=O)OC)ccc2Cl)cc1 9672370 URQLPSUWTYNAIF-GFCCVEGCSA-N 440.905 2.831 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)Cc4ccccc4)nn23)cc1OC 11693933 UOYWPCLNJRJGSE-UHFFFAOYSA-N 433.468 2.546 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2NC)sc(C(=O)N(C)C)c1C 12536489 RNFUEEBVGQKBEE-UHFFFAOYSA-N 447.513 2.772 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc(Cl)cc1 13041134 YSZXSLMUZXTOIN-HNNXBMFYSA-N 439.940 2.663 0 40 IFAB CCOc1ccc(N(CC(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 14155509 FYDAXXHKEJAUCB-UHFFFAOYSA-N 449.548 2.584 0 40 IFAB COC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)Nc2nnc(C(F)(F)F)n2[C@@]1(C)O 15953183 NIVZTNPERHLOPR-BHDSKKPTSA-N 435.200 2.680 0 40 IFAB Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 19234498 PEZAJXVMPSXLTA-JPYJTQIMSA-N 444.597 2.723 0 40 IFAB CN(C)c1cc(C2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)nc(-c2cnccn2)n1 19288813 CZTURSIEKONLPR-UHFFFAOYSA-N 432.532 2.630 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19339349 VRBZQVJWRKMUGH-QFIPXVFZSA-N 447.514 2.769 0 40 IFAB COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1O 19453669 OXTKGLYBPIRBEQ-UHFFFAOYSA-N 428.533 2.718 0 40 IFAB CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C[C@H]3CC=CCC3)[nH]c(=O)c2C1 19524166 QWPHMSAXUAZNNC-FXAWDEMLSA-N 436.560 2.678 0 40 IFAB Cc1nnsc1C(=O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702234 RNAXSVHGLHFNJS-CYBMUJFWSA-N 443.554 2.558 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 19744376 OQIFDGKFCUANOY-QGZVFWFLSA-N 446.548 2.585 0 40 IFAB O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1S(=O)(=O)N1CCOCC1 22327564 ICYLSEXOMPFTFK-SOFGYWHQSA-N 426.947 2.752 0 40 IFAB Cc1cc(N2CCN(CCN3CCOCC3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 22931168 IZMLHDMEQGFFAQ-UHFFFAOYSA-N 440.979 2.812 0 40 IFAB O=C(Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1)c1ccco1 23687916 BSPKLACQRKNRON-UHFFFAOYSA-N 445.522 2.740 0 40 IFAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 24489821 UNLIVUIEXOOFAM-UHFFFAOYSA-N 431.489 2.818 0 40 IFAB COC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1OC 26503502 FELCXIQJDDXFHY-CYBMUJFWSA-N 433.486 2.522 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 28218206 BZKSKLWMOVIDOD-HZPDHXFCSA-N 430.892 2.914 0 40 IFAB CCN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1nc2ccccc2c(=O)[nH]1 30674115 LPOZHLNQFCIIPF-UHFFFAOYSA-N 447.539 2.622 0 40 IFAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccccc4)CC3)c2c1 32095585 WWWNDCAVGYSTGI-YVSHKSEASA-N 448.479 2.695 0 40 IFAB CC(C)CCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O 32947227 GGFYCQBVXCKGHX-GFCCVEGCSA-N 442.379 2.794 0 40 IFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 37458150 WHXLNKMAIAOYFP-IRXDYDNUSA-N 437.562 2.914 0 40 IFAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(Cl)cc1 38182836 WDZXXJNDYGUMCJ-OAHLLOKOSA-N 427.848 2.542 0 40 IFAB Cc1csc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)n1 40159194 KSPSEFGCNJSFRC-MRVPVSSYSA-N 442.280 2.925 0 40 IFAB COC(=O)c1cn(Cc2ccccc2C)nc1S(=O)(=O)N1CCc2ccccc2C1 49402177 CSDPSBZIEHXIEW-UHFFFAOYSA-N 425.510 2.773 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 58441664 JNQKBVZTZVQWAL-LPHOPBHVSA-N 433.911 2.694 0 40 IFAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccc(Br)cc2)nc1C(=O)O 71195276 XQJAAMCWNPHNIG-CQSZACIVSA-N 449.261 2.524 0 40 IFAB CCCc1ncc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cn1 72394401 AIZWSSNXOPNTKW-UHFFFAOYSA-N 430.574 2.618 0 40 IFAB Cc1ccc(SCC(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 84160483 UNZOKZDAKUNCHX-UHFFFAOYSA-N 447.626 2.518 0 40 IFAB C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 95430479 NCSHHLFIFHJFRV-WIYYLYMNSA-N 430.593 2.952 0 40 IFAB O=C(Nc1nnc(CC(F)(F)F)s1)N1CCN(Cc2nccn2C(F)F)CC1 95968687 KKZSCQZNCHUDBH-UHFFFAOYSA-N 425.387 2.584 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(CCS(=O)(=O)c4ccccc4)CC3)n2)cc1 96941311 HFLSXYCYBUILBN-UHFFFAOYSA-N 426.542 2.637 0 40 IFAB CCCC[C@@H](CC)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 96997130 AIIOBDAUANPUFH-MJGOQNOKSA-N 425.595 2.548 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(OC)c1 138533953 GFGVNCVBGIZJEI-INIZCTEOSA-N 426.469 2.855 0 40 IFAB Cc1ccc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 143132253 XTNGUQKDFGDXSJ-SKFMWMRISA-N 444.524 2.968 0 40 IFAB in-vitro COc1ccc2c(c1)[C@@H](NC(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CC(C)(C)O2 219670911 WTJNRLYWLAZBIX-KRWDZBQOSA-N 444.509 2.648 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1OC 222731014 SYTWFVLPCVWDQF-GHTZIAJQSA-N 440.540 2.959 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222838851 GGEDRSGRRXMFMV-UHFFFAOYSA-N 428.510 2.939 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223074469 SXCHZHOAUKGJMO-FQEVSTJZSA-N 445.585 2.623 0 40 IFAB O=C(NCCOc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994300 YRQMPQLWRUPQEY-QFIPXVFZSA-N 438.505 2.838 0 40 IFAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC[C@H]2CCCO2)cc(OC)c1O 257173558 QRIAPRCFJJKGKN-WOJBJXKFSA-N 426.513 2.632 0 40 IFAB Cc1noc(C)c1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257291055 QFKPFRVXMHEAAZ-PQNGQFLHSA-N 427.545 2.595 0 40 IFAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cccc(OC)c3OC)C2)nc1C 257302165 SBTOUBJNJOBGPQ-KRWDZBQOSA-N 440.544 2.809 0 40 IFAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)n1 257330866 XQIXJLISWPROQA-UHFFFAOYSA-N 436.556 2.773 0 40 IFAB O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cccc(Br)c1 302765883 GRUSYRSTHUQFSO-UHFFFAOYSA-N 432.318 2.763 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@]2(CCn3ncnc3[C@@H]2NC(=O)c2cccs2)C1 306141730 WEXLLOUYVJHNTK-REWPJTCUSA-N 435.553 2.984 0 40 IFAB COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408597417 YYLZSIPVTIVOTG-IBGZPJMESA-N 448.541 2.503 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)c(C)c1 409184292 WYGNIOKOMCEHHM-VCHYOVAHSA-N 439.493 2.843 0 40 IFAB NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CC1 510991077 GXSIWWNGUVWWAZ-JOCHJYFZSA-N 447.539 2.841 0 40 IFAB COCc1nc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)co1 547513068 RTUDKCXIWHIMNP-LJQANCHMSA-N 426.473 2.846 0 40 IFAB CSC1(CNC(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CCN(C)CC1 576154387 ODYBBZLRXFXMCY-UHFFFAOYSA-N 439.541 2.772 0 40 IFAB COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585281833 BXLMZLNYDUITRN-QHCPKHFHSA-N 440.531 2.834 0 40 IFAB COc1ccc2oc(C)c(C(=O)N3C[C@H](CC(N)=O)[C@H](OC(=O)c4ccccc4)C3)c2c1 643587108 VHCBWNSQHLZBCL-OXJNMPFZSA-N 436.464 2.923 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 785592 FIZJRABDJTYARZ-UHFFFAOYSA-N 445.541 2.726 0 40 IFAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)N1CCOCC1 905098 FBBHLJOKGJCDMY-UHFFFAOYSA-N 431.493 2.622 0 40 IFAB O=C(NC1CCCCC1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1359239 IAQAMRNKWIRIAV-QGZVFWFLSA-N 435.532 2.785 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)sc2c1 2502893 PCVZICMQIQRIPC-UHFFFAOYSA-N 443.506 2.715 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccc(C)cc12 9042304 YSPQCOHYEDVYBI-VFPBMGFPSA-N 429.904 2.802 0 40 IFAB biogenic O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)C(F)F)cc1 9316934 OKBKUCOMAFNQMG-UHFFFAOYSA-N 437.420 2.916 0 40 IFAB Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1 9468554 RLSLXCFLZHHHLD-UHFFFAOYSA-N 449.536 2.840 0 40 IFAB COCCn1c(=O)c2c(nc3n(-c4ccc(Oc5ccccc5)cc4)c(C)cn23)n(C)c1=O 9829424 RSKIKVCGZHHGHY-UHFFFAOYSA-N 445.479 2.886 0 40 IFAB COc1cc(NC(=O)CNC(=O)c2ccc(Br)o2)ccc1N1CCCC1=O 11445915 ONVREHPBKCRNET-UHFFFAOYSA-N 436.262 2.546 0 40 IFAB COc1ccc2c(c1)C=C(CN1CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC1)CO2 12089477 AKLCFQROMBHAMD-QHCPKHFHSA-N 441.553 2.913 0 40 IFAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1c(=O)oc2ccccc21 12276255 LNDKNQSXRVVNFC-OAHLLOKOSA-N 438.509 2.865 0 40 IFAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n(N)c2=O)cc1 12348210 IENRKPSAWRULJP-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12881460 LXNGCMVMLYBIDA-UHFFFAOYSA-N 443.569 2.519 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(-c2ccc(OC)cc2)c1=O 12889010 FOOTXBOYLPIIGN-OAQYLSRUSA-N 432.480 2.689 0 40 IFAB biogenic COc1cc(CN(C)CC(=O)NCC(=O)Nc2ccc(F)cc2)ccc1OC(F)F 13003313 NLCPAGZBTPANPJ-UHFFFAOYSA-N 425.407 2.622 0 40 IFAB CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)OC)Cc1nc2ccccc2c(=O)[nH]1 13165086 ODQZMZVBJJPIJC-UHFFFAOYSA-N 428.514 2.849 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)OCO2 13572848 OQOOMCLYNQYSQQ-DZGCQCFKSA-N 428.535 2.897 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 13680051 WRFXABRHJUBKAP-LBPRGKRZSA-N 440.905 2.548 0 40 IFAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 13722992 FGOPKTRZNOELEO-UHFFFAOYSA-N 441.491 2.790 0 40 IFAB C[C@@H]1CN(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C[C@@H](C)O1 14201984 MWGSFESCWRAPKO-CHWSQXEVSA-N 426.926 2.708 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 15957482 ZWDYXNOEIUTSHH-VKDGWMQASA-N 435.549 2.982 0 40 IFAB biogenic CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccco1 18200900 GTOMVBUDULPFBJ-FQEVSTJZSA-N 444.415 2.796 0 40 IFAB Cc1cnc(CCNC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)s1 19748725 NSHCSSMINVYISP-UHFFFAOYSA-N 425.551 2.740 0 40 IFAB C[C@H](NC(=O)c1cccn(CC(=O)NCc2ccccc2)c1=O)c1nc2ccccc2[nH]1 19751447 HSKGQWVMSIYJDY-INIZCTEOSA-N 429.480 2.532 0 40 IFAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CN2CCN(c3ccc(O)cc3)CC2)c2ccccc2N1 22240675 RNUJTPAADSQWHL-IBGZPJMESA-N 448.445 2.821 0 40 IFAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)cc1 22271687 WUZPYSLSWNYVAQ-OAQYLSRUSA-N 434.558 2.518 0 40 IFAB CCN1CCN([C@@H](c2cccc(OC)c2OC)c2nnnn2CCc2ccccc2)CC1 22929956 UFZLTAXLNOFZHM-QFIPXVFZSA-N 436.560 2.660 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)cc1Cl 24980715 IPFFBMKANSLYFR-ABAIWWIYSA-N 433.313 2.694 0 40 IFAB COC(=O)c1cn(CC(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)c2ccccc12 31997782 XDAMUOAPBGWUAO-QHCPKHFHSA-N 435.524 2.926 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)C[C@H]4OC(=O)c5ccccc54)CC3)n2)cc1 32891439 ZAAQVEXTGDUJNH-HXUWFJFHSA-N 432.480 2.991 0 40 IFAB COc1cccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1OC 35595042 DYVHQFVGBDILDH-UHFFFAOYSA-N 426.473 2.604 0 40 IFAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 40116730 JZZJTDFQZRZUMR-GOSISDBHSA-N 426.416 2.946 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 45970162 YDTIVMXQMNEAAR-UHFFFAOYSA-N 441.513 2.659 0 40 IFAB CCOC(=O)c1ccc2c(c1)n(C[C@@H](O)COc1cccc(C(C)=O)c1)c(=O)n2CC 46580563 IYWCIODMDPUMFT-GOSISDBHSA-N 426.469 2.642 0 40 IFAB CCCCN(C)S(=O)(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 48288032 VRQVPWVDCXBTHG-UHFFFAOYSA-N 435.569 2.614 0 40 IFAB O=C(NCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)c1ccccc1 63700236 QIGNHMFTCDLWKA-UHFFFAOYSA-N 439.947 2.842 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@@H]3CCO)ccc2Cl)C1 89929824 YWQPFIFRIUSSQQ-ZBFHGGJFSA-N 447.022 2.701 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(CSCCC(=O)O)c3)ccc21 95425363 DRAIQZOXHQUCIG-UHFFFAOYSA-N 434.539 2.969 0 40 IFAB CC(=O)OCCc1cccc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)c1 95467377 XQJGZNOWEXNALW-UHFFFAOYSA-N 447.285 2.919 0 40 IFAB O=C(CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1)NCc1ccccc1 95947120 MCAZCVHJXUPRDY-UHFFFAOYSA-N 425.920 2.824 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccccc1C 96521145 QPKKDMRXXNLTRS-WDEREUQCSA-N 433.105 2.947 0 40 IFAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 100033059 XYFJKFDMRHZTCA-SJORKVTESA-N 442.273 2.689 0 40 IFAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)cc21 101324415 MOOJDUQFOXECDP-KSFYIVLOSA-N 434.558 2.749 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(Cl)cc1 223096080 BKLUYXJGNQCGAJ-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)c1 223866245 BNOOTXDNYFTJOI-UHFFFAOYSA-N 436.917 2.728 0 40 IFAB Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(Nc2ncc(C)s2)n1 257269958 MSDKQOHWNJMSOU-UHFFFAOYSA-N 447.590 2.670 0 40 IFAB CN([C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O 260801470 YVJOEQAOQLDIKK-FQEVSTJZSA-N 441.509 2.781 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666832 SUGYHCMLYPKLEY-PRNVEUERSA-N 438.402 2.607 0 40 IFAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 408674969 NZSOBFRNWLNNPC-UHFFFAOYSA-N 436.530 2.726 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccccc1F 911636 JISMPRASKKKLGF-MUMAZLPKSA-N 428.510 2.999 0 40 IFAB O=C(CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12)NC1CC1 1325821 HMKAOWNKRNXDGP-UHFFFAOYSA-N 426.546 2.504 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccc(Br)o2)n1 3405242 OAFFAUOOJKMFKK-UHFFFAOYSA-N 436.218 2.972 0 40 IFAB CCCOC(=O)c1c(C)n(S(=O)(=O)CC)c2cc(C)c(NS(=O)(=O)CC)cc12 6142913 POYDXJRZHMSRPR-UHFFFAOYSA-N 430.548 2.784 0 40 IFAB O=C(CNC(=O)c1ccccc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605467 UVZONPSPEPDCIY-UHFFFAOYSA-N 426.498 2.672 0 40 IFAB Cc1cc(C)n(CCCNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)n1 8724335 PRWNYDIEWLXZCB-UHFFFAOYSA-N 445.523 2.502 0 40 IFAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 9126277 XZKKVDZEBCKMDO-QGZVFWFLSA-N 427.551 2.935 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)C[C@@H](C)O1 9443836 MFFXAQYGQHWLAY-YZYXUJLISA-N 445.566 2.779 0 40 IFAB COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9646191 JEGDMUPXDCJXTE-HNNXBMFYSA-N 434.514 2.894 0 40 IFAB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)nn1 9650662 FBIUKIFWIKRPEP-UHFFFAOYSA-N 431.539 2.922 0 40 IFAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3ncccc32)cc1 9660584 ADHAEBRAIHIHMO-UHFFFAOYSA-N 444.491 2.816 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 10009171 KNLSOAOBGUVENE-QRWLVFNGSA-N 445.541 2.771 0 40 IFAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnc(-c4cccnc4)n3C3CC3)oc(C)c12 10021762 OOJBWTHDQVUCND-UHFFFAOYSA-N 437.485 2.852 0 40 IFAB CN(C)CC1CCC2(CC1)CN(C(=O)C[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O2 12122545 ZKUMSBGRDXCISF-FVRICEFQSA-N 434.602 2.723 0 40 IFAB O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 13057363 XEEDYGJABFFMCR-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 13100068 AIOHILQBQMFCMB-DEOSSOPVSA-N 448.479 2.911 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2C)no1 13117089 DZBUSSGGTQPSNP-HSZRJFAPSA-N 434.452 2.803 0 40 IFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1 13163453 ICPBNOFUBAOBGF-UHFFFAOYSA-N 442.519 2.578 0 40 IFAB O=C(N1CCOCC1)N1CCN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)CC1 13268362 VQFRQKXUJBBGKV-UHFFFAOYSA-N 442.570 2.903 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc(F)cc2)cc1 13573717 OMZIHAOCTQUMMD-QFIPXVFZSA-N 435.455 2.973 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c(C)c1 13670196 QJTPFUGJGHVRGS-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15136157 DIDPQQTWXRCGCC-QGZVFWFLSA-N 444.532 2.701 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H](C1CCN(C(=O)[C@@H]3CCOC3)CC1)C[C@@H]2C(F)(F)F 19530956 WVAAYTMNFOYDTF-VNQPRFMTSA-N 444.454 2.623 0 40 IFAB COc1c(C)cccc1C(=O)N1CC[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19702543 LQTPBLMUFTXNOK-HNNXBMFYSA-N 439.537 2.965 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4cnccn4)nc32)cc1 19739963 AMXNYIXCPHXWJR-FQEVSTJZSA-N 444.495 2.650 0 40 IFAB CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)N(C)C)cc1 22684046 XDUVOUSIGPHKBH-JOCHJYFZSA-N 429.586 2.994 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 22928956 CHQJSOVTVFQPFT-FQEVSTJZSA-N 440.563 2.746 0 40 IFAB CCN1CCN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 23410377 TZAZCLIYXVCATO-UHFFFAOYSA-N 429.586 2.971 0 40 IFAB Cc1cc(C(=O)COC(=O)CCc2ccc3c(c2)OCO3)c(C)n1[C@@H]1CCS(=O)(=O)C1 27023862 IQEVFMXPBWDXJT-QGZVFWFLSA-N 447.509 2.552 0 40 IFAB Cc1ccccc1-c1noc(CN2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)n1 31784086 PZHHFNDGPQOSJF-UHFFFAOYSA-N 435.315 2.684 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 32105678 YZABQHRASHGITF-OAQYLSRUSA-N 449.551 2.646 0 40 IFAB Cc1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1NC(=O)c1ccccc1F 32164952 SXKIUMFKDMWZTN-KRWDZBQOSA-N 447.532 2.930 0 40 IFAB CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2C)nn1 34889295 KNWHDBLCINMCFZ-KJGCVMFHSA-N 429.521 2.856 0 40 IFAB O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1nc(-c2ccc3c(c2)OCO3)no1 35527751 ILCVGACRBGAXEY-UHFFFAOYSA-N 432.371 2.524 0 40 IFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(Cc3cccs3)CC2)c2ccc(F)cc21 36358977 FNHOQKVDHFJFQD-FQEVSTJZSA-N 431.489 2.870 0 40 IFAB O=c1n(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)nnn1-c1ccccc1Cl 40068613 TWVAHSMNJJVYLV-UHFFFAOYSA-N 448.845 2.969 0 40 IFAB Cn1c(SCc2cc(Br)c3c(c2)OCO3)nnc1[C@H]1CCS(=O)(=O)C1 40154974 WLANPVXLUQVHEH-JTQLQIEISA-N 446.348 2.501 0 40 IFAB CCOc1cccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44919903 KDJJFUOELAALST-IBGZPJMESA-N 438.933 2.972 0 40 IFAB O=c1n(Cc2cccc(C(F)(F)F)c2)nc2c(S(=O)(=O)N3CCCCC3)cccn12 49006292 PJSDFSCHYQBFRV-UHFFFAOYSA-N 440.447 2.738 0 40 IFAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1)c1ccc(F)c(F)c1 49406135 YQUMHEARLCWORP-UHFFFAOYSA-N 429.402 2.719 0 40 IFAB CCN1CCN(Cc2ccc(CNC(=O)c3ccccc3S(=O)(=O)CC)cc2)CC1 59060657 VZXCKBWWBAYGPR-UHFFFAOYSA-N 429.586 2.548 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204883 AWVZXLSCUMSVIS-OAQYLSRUSA-N 442.466 2.568 0 40 IFAB Cc1cccc(S(=O)(=O)c2cnc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2N)c1 67336374 BHTFCPCMZAOIIT-UHFFFAOYSA-N 447.561 2.694 0 40 IFAB C[C@@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 84692286 PHGAZEUQOWNKIC-LJQANCHMSA-N 447.645 2.957 0 40 IFAB CC[C@H]1CCCCN1C(=O)COC(=O)C(C)(C)C(=O)OCC(=O)N1CCCC[C@H]1CC 95995795 GVSRLJZBJIDXEA-HDICACEKSA-N 438.565 2.681 0 40 IFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 97601692 DKGNIHAOTKJSCU-GJZGRUSLSA-N 432.498 2.743 0 40 IFAB COC(=O)C1=NN(c2cccc(C)c2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100935185 OJSVDQXXYFVJIC-NVXWUHKLSA-N 442.269 2.665 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)cc1 220151990 QRGTZAWUHHLTPG-MRXNPFEDSA-N 428.514 2.824 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 223699830 WIQOQDITVYLGMQ-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCCO2 224004501 CLUNPGPIOMBYOY-QGZVFWFLSA-N 426.513 2.952 0 40 IFAB COC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224656137 BWXRSMGOYUICQM-UHFFFAOYSA-N 441.889 2.812 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 225476901 HZDUAZWIICXZRB-OAHLLOKOSA-N 431.514 2.615 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@@H]3[C@H]4C=C[C@@]5(CN(C(C)C)C(=O)[C@H]35)O4)CC2)nc1C 248167233 PCNUZSSDYQQJGY-ZHSNQQFMSA-N 443.569 2.551 0 40 IFAB O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cnc(OC2CCOCC2)c(Cl)c1 253472450 MNDULSVIMHRJSJ-UHFFFAOYSA-N 444.875 2.540 0 40 IFAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC(c3cncc(Nc4ncccn4)n3)CC1)CO2 257313625 UTKBSXHSQGAZMA-SFHVURJKSA-N 446.511 2.976 0 40 IFAB CCN(CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 260616370 JGSNXRJLQOIHBB-OAHLLOKOSA-N 436.530 2.600 0 40 IFAB COc1ccc(NC(=O)c2cnc3n2C[C@@H](NC(=O)c2cccc(N(C)C)c2)CC3)cc1 306126216 DPUNEXIIOAPCCZ-SFHVURJKSA-N 433.512 2.955 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408753984 SETOXFNESZMWAF-XGHXRCDJSA-N 440.908 2.767 0 40 IFAB C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 502702039 MUXFNMGNKGLMRF-HZPDHXFCSA-N 430.512 2.899 0 40 IFAB COCCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 523621795 XEFGQZRTQFEEOF-UHFFFAOYSA-N 436.505 2.890 0 40 IFAB C[C@@]1(c2cccc(C(=O)N3CCC[C@@H](c4n[nH]c(-c5ccccc5)n4)C3)c2)NC(=O)NC1=O 540850912 IVZBEBJZHMNYII-OSPHWJPCSA-N 444.495 2.546 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccs2)n2nc(C)cc2C)c1 575609688 DPUMTKOOBBQTFW-INIZCTEOSA-N 449.554 2.925 0 40 IFAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c1 585270149 HIBZNLTZDILHKE-FQEVSTJZSA-N 428.529 2.568 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCn1cccn1 604406284 ZYJJPECEPBHILE-QFIPXVFZSA-N 429.480 2.595 0 40 IFAB biogenic CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2cc(O)nc3ccccc23)CC1 643198501 XGIBPQRIIBVFOJ-QFIPXVFZSA-N 430.508 2.676 0 40 IFAB COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1 1569989225 NENJFZKQHYXRDQ-UHFFFAOYSA-N 430.511 2.633 0 40 IFAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)N1CCCC1 3286749 GEZQAXSGTKKFGF-UHFFFAOYSA-N 442.855 2.928 0 40 IFAB CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 4077822 XBGRXJILLRDHNG-XDNAFOTISA-N 433.457 2.634 0 40 IFAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NN1C(=O)NC2(CCCCC2)C1=O 8718573 MQVBCAFTOMIWTN-UHFFFAOYSA-N 447.919 2.981 0 40 IFAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 8720593 GFWIIYOVMNXOAJ-UHFFFAOYSA-N 443.447 2.777 0 40 IFAB Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3cccc(Cl)c3)nc2n(C)c1=O 8898699 ZIQOJIAZZJIBJB-UHFFFAOYSA-N 431.949 2.536 0 40 IFAB C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(CC(=O)c4ccccc4)c(=O)n3C)n2C1 9156830 CKWPINCADXYOSJ-MRXNPFEDSA-N 429.480 2.567 0 40 IFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 9180986 OJBIWGHABJYQEN-HSZRJFAPSA-N 431.488 2.782 0 40 IFAB Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)o1 9544347 FPTQQAUGYOFOLF-HNNXBMFYSA-N 442.493 2.606 0 40 IFAB O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 9562312 KBOJSSBJGVWVHX-UHFFFAOYSA-N 428.438 2.837 0 40 IFAB CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)nn1 9650554 HDQDBTMOLMKOKZ-UHFFFAOYSA-N 425.438 2.626 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 9714506 GKRYGUZIWTYXJB-UHFFFAOYSA-N 434.481 2.740 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)o1 10785189 KRFRBDGWGVFDGG-AWEZNQCLSA-N 448.526 2.989 0 40 IFAB CNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12772731 XNVFTWZJBGAKEK-AWEZNQCLSA-N 435.933 2.739 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1OCC 12876691 KVSZQISSSRTWJA-WAIKUNEKSA-N 431.533 2.643 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)OCc2cc(Cl)cc3c2OCOC3)s1 12898203 VJXVIKYBPDGTEQ-UHFFFAOYSA-N 431.919 2.717 0 40 IFAB C/C(=C\C(=O)Nc1ccc(SCC(=O)NCc2ccc3c(c2)OCO3)cc1)C(=O)O 13579129 GWSINNFDYUHOCN-MDWZMJQESA-N 428.466 2.793 0 40 IFAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(=O)OC)c3ccc(Br)cc32)cc1 13940675 XRTLSNIXZZJUCB-NRFANRHFSA-N 446.297 2.992 0 40 IFAB Cn1nc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c2ccccc2c1=O 15089639 GAFLDFFGUQXLLC-UHFFFAOYSA-N 434.221 2.631 0 40 IFAB COc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 15391111 YJOOKPNCWQTSJE-SFHVURJKSA-N 432.542 2.954 0 40 IFAB NC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 16479184 OLJHLZXCPPTIPB-UHFFFAOYSA-N 437.521 2.658 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)COc2ccccc2)CC3)ccc1F 16837445 GVPYHZWRJAXVRU-UHFFFAOYSA-N 448.516 2.553 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCC(C)CC2)c(OC)c1 17246018 WCUIJYRCGNRQAQ-UHFFFAOYSA-N 429.517 2.745 0 40 IFAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17529612 HLESFNCQOJIQJE-HXUWFJFHSA-N 428.510 2.648 0 40 IFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCN(C)Cc4ccccn4)C3)c2N)cc1 19213191 FLMJSSCGSJWKHC-IBGZPJMESA-N 446.555 2.711 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3OC)[nH]c2=O)C1 19501667 CUQLHSBXLJLHKB-LJQANCHMSA-N 438.528 2.831 0 40 IFAB CCN(CC)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(S(=O)(=O)N(C)C)C1 19526196 PCKWNCVHVPDHQV-HSZRJFAPSA-N 444.601 2.658 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741603 NFHQSCHFGWGTJD-GOSISDBHSA-N 439.535 2.671 0 40 IFAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 19933575 CNIJIPPXWCLYIO-UHFFFAOYSA-N 446.510 2.506 0 40 IFAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 21152025 DDAKQGOCWFTZOT-UHFFFAOYSA-N 442.516 2.649 0 40 IFAB COCCCn1c(C)cc(C(=O)CSc2nnc(N3CCOCC3)n2C2CC2)c1C 22239435 DEEHUDZVVBVSJR-UHFFFAOYSA-N 433.578 2.879 0 40 IFAB CCOc1ccc(CCCNC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)cc1 22425220 DMYDFCZGACOVIC-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 24990013 QWOYRZXIMWQSFN-GOSISDBHSA-N 436.917 2.615 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 29151323 JBZINPJXWPODLS-CQSZACIVSA-N 440.928 2.598 0 40 IFAB CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)c1 32354252 XKRBSIMZFBMWKW-UHFFFAOYSA-N 446.510 2.506 0 40 IFAB COc1ccccc1N1CCN(C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 32843789 IAWIACCGFICMBH-LJQANCHMSA-N 430.574 2.662 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 32947278 NSVHGHLKPBPXSE-AWEZNQCLSA-N 447.538 2.676 0 40 IFAB O=C(Nc1ccccc1F)N1CCN(c2cc(=O)n3nc(-c4ccco4)sc3n2)CC1 32996210 PSDVNMXYYAUQCI-UHFFFAOYSA-N 440.460 2.904 0 40 IFAB Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1 35289232 VCDSCPIMPQEMHT-UHFFFAOYSA-N 425.485 2.653 0 40 IFAB COC(=O)c1cnc(N[C@@H](C)c2cc3ccccc3o2)c(S(=O)(=O)N2CCOCC2)c1 40153466 DWLPXXURLXFIRP-AWEZNQCLSA-N 445.497 2.808 0 40 IFAB COc1ccc2nc(NC(=O)[C@H](C)NC(=O)N3CCN(c4ccccn4)CC3)sc2c1 61718301 YZKIGSYTLZLJMF-AWEZNQCLSA-N 440.529 2.559 0 40 IFAB C[C@H]1CCCCN1C(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 72306865 VNKFQNPMFVPCFE-LBPRGKRZSA-N 449.342 2.624 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340242 FXGCNPNVFBQWKA-HSEBIALKSA-N 442.556 2.809 0 40 IFAB COCCN(C)c1nc(C2CCN(C(=O)c3ccnnc3)CC2)cc2c1ncn2C(C)C 96100457 HBJNOVBTPFWOPY-UHFFFAOYSA-N 437.548 2.905 0 40 IFAB COc1ccccc1CCN1C[C@H](C(=O)Nc2cccc(C(=O)c3nccn3C)c2)CC1=O 96224170 KMNKEFTWPZUXHH-LJQANCHMSA-N 446.507 2.689 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](N(O)[C@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)C2=O)c(C)c1 101089331 OKOPGRVLYHLRNB-PMACEKPBSA-N 435.480 2.575 0 40 IFAB C[C@H](C(=O)NCCCN1CCCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220492483 XNAODUDOXUJECQ-QGZVFWFLSA-N 433.549 2.939 0 40 IFAB C[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222740440 PTGLPVYGJLXJHH-AWEZNQCLSA-N 438.933 2.750 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223455870 QOHSHVURXWHTJB-HXUWFJFHSA-N 426.513 2.952 0 40 IFAB CCOC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1C 223516558 TYRCLASZLUYRPA-UHFFFAOYSA-N 426.520 2.809 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(C)cc(C)c1 223589946 OBPLJLWOXNVEHI-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223716317 AZEARMRKAYHHIA-RYQLBKOJSA-N 445.947 2.535 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 224550906 URKRRBNLSBIIEG-IBGZPJMESA-N 439.622 2.649 0 40 IFAB COc1ccccc1-c1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)[nH]n1 225759125 OPQCWPYQNLHCLA-UHFFFAOYSA-N 445.479 2.566 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(CC(N)=O)cc2)C2CCCCC2)cc1 226000508 IYXCRWCQYPEVNW-UHFFFAOYSA-N 443.569 2.985 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1OC 260728401 AVCMHHRHAQCMRR-HNNXBMFYSA-N 436.505 2.907 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)n2cc(C(=O)OC)c3ccccc32)Oc2ccccc21 260828879 DVCJCTPXLCSAPY-LJQANCHMSA-N 428.466 2.685 0 40 IFAB CC(C)(C)c1nc(CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cs1 520519406 SNTYRTWJURKUPO-UHFFFAOYSA-N 435.575 2.529 0 40 IFAB Cc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)CC2)c1 585287588 PDWKANVPEHRUJW-VWLOTQADSA-N 444.547 2.608 0 40 IFAB O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccccc2)CC1 1437047 OXZGTMBEYRZHHV-UHFFFAOYSA-N 428.295 2.802 0 40 IFAB Cn1c(Cn2cnc(Cl)c2Cl)nnc1SCCS(=O)(=O)c1ccccc1 2155112 SYZHMEOPKOXJAZ-UHFFFAOYSA-N 432.358 2.933 0 40 IFAB CCOc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1OCC(=O)N1CCOCC1 3380582 UFTGPOXSMJUUEV-UHFFFAOYSA-N 445.541 2.911 0 40 IFAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nnc(C)s1 6878496 HGQDPCPTHBOGSV-UHFFFAOYSA-N 435.510 2.509 0 40 IFAB CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 9044189 VBFXAALSKCTOAO-PXNSSMCTSA-N 438.484 2.641 0 40 IFAB biogenic CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1nncs1 9303557 RLRKERBSVYEZAQ-UHFFFAOYSA-N 431.547 2.678 0 40 IFAB O=C(CCCn1c(=O)c2ccccc2n(CC(=O)c2ccccc2)c1=O)NC1CCCC1 9616951 RMRQBVONPVUBCF-UHFFFAOYSA-N 433.508 2.885 0 40 IFAB CC(C)Cn1c(N)c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(=O)n(C)c1=O 9724248 ILSAKKIEPPBUGY-UHFFFAOYSA-N 439.541 2.924 0 40 IFAB CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1ccc(N2CCC(C)CC2)cc1 9885502 JMMLYFNGWOYIQK-KRWDZBQOSA-N 439.578 2.513 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCC(C)C)Oc2ccccc21 10009170 HXLNPGCOTCDZPJ-FQEVSTJZSA-N 445.541 2.628 0 40 IFAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccccc2F)n1C 10616672 WNMDVTZRKIQUEC-SFHVURJKSA-N 440.500 2.840 0 40 IFAB COc1cc(NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(OC)cc1Cl 11079965 RJRGFPRSXZQRHZ-HNNXBMFYSA-N 438.933 2.989 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 12789786 UCHAAJKSOJEUKU-DZGCQCFKSA-N 438.933 2.843 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1 12809513 PIOANVXAHAEHFE-JOCHJYFZSA-N 429.586 2.815 0 40 IFAB COc1ccc([C@H](CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)NC(C)=O)cc1 12817224 GNPLXZVMKYGCMI-NRFANRHFSA-N 439.512 2.845 0 40 IFAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O 13110045 NMOKNNZSMRJLTH-FQEVSTJZSA-N 449.294 2.786 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)/C(=C\c2cccc(OC)c2OC)n2ccccc2=O)C1 13944037 WVQCLEZSTWIQFP-AQRXXJNJSA-N 440.496 2.665 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C 15321773 ROAPKHTXSCRELL-UHFFFAOYSA-N 427.457 2.666 0 40 IFAB COC(=O)c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 15858459 ABRLJRKALXGTKD-NSHDSACASA-N 436.873 2.691 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 16607002 METOQEBONMBLPG-CNSVBDKNSA-N 433.533 2.927 0 40 IFAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)n[nH]c1=O 16699508 CDNGDPFVUDELFB-UHFFFAOYSA-N 441.513 2.973 0 40 IFAB Cc1nc(-c2ccc(CNC(=O)CCNC3=NS(=O)(=O)c4ccccc43)s2)cs1 16775450 GNYSWOCSQPJAKK-UHFFFAOYSA-N 446.579 2.925 0 40 IFAB CC[C@@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)Nc2c(C)nn(C)c2C)C1=O 19500858 IDQDXHAZYVPIMX-HTAPYJJXSA-N 438.484 2.854 0 40 IFAB COc1cccc(C(=O)N2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 19564694 BTHOPOITUIDWQA-VWLOTQADSA-N 431.492 2.696 0 40 IFAB Cc1nc2ccccn2c1CC(=O)N1CCO[C@@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19693552 HMTRSPVRTFXELL-OAQYLSRUSA-N 428.496 2.825 0 40 IFAB CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699315 MZBFNAIKYOQHPF-UHFFFAOYSA-N 440.588 2.653 0 40 IFAB Cc1nc([C@@H]2CCN(CC(=O)n3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738992 SKKHMDDHNGURSM-LJQANCHMSA-N 430.512 2.591 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744391 HKYBPYXVOSHUJR-QGZVFWFLSA-N 446.486 2.823 0 40 IFAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@@H]1c1ncc(C(N)=O)c(C)n1 19755181 LKXPHEZRSOFRCI-MRXNPFEDSA-N 432.546 2.716 0 40 IFAB COc1c(C)cccc1CN1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 19762215 OSGDBFYMGQJUFP-HSZRJFAPSA-N 435.524 2.847 0 40 IFAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1)c1ccc(C)cc1 20035561 RWURHGVHTNINIO-FQEVSTJZSA-N 432.542 2.906 0 40 IFAB COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCc2ccccc2C1 20083600 LRJFBRJFALXONJ-HSZRJFAPSA-N 444.539 2.926 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1N1CCCC1=O 20483347 HDOWSQIMNNIUIU-UHFFFAOYSA-N 431.514 2.761 0 40 IFAB Cc1nc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)n(C[C@@H]2CCCO2)c1C 22955080 ZUMSCHPPWSLPJA-IBGZPJMESA-N 430.574 2.675 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1 23882096 ZVFDBSVMMHCGAE-XMMPIXPASA-N 431.496 2.606 0 40 IFAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1CCC(C)C 25255979 GTEKGGAAKBQCMH-UHFFFAOYSA-N 433.574 2.980 0 40 IFAB O=C(OCc1sc2ccccc2c1Cl)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 26887607 POARUADTDMCHOK-LLVKDONJSA-N 440.930 2.763 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCN(c3nccs3)CC2)nn1-c1ccccc1C(F)(F)F 27133532 ADXVDJYGIMGFOQ-UHFFFAOYSA-N 449.458 2.979 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(C(N)=O)c2)c1 30564444 VTEPSZSNORGBQT-UHFFFAOYSA-N 441.465 2.553 0 40 IFAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 32760438 NCDXLEOALXLVBT-HXUWFJFHSA-N 425.916 2.929 0 40 IFAB O=C(CN1CCN(CC(=O)Nc2ccccc2N2CCCC2)CC1)Nc1ccc(F)cc1 32797301 YGXDLQITKHXIKK-UHFFFAOYSA-N 439.535 2.621 0 40 IFAB COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2c1 33924116 HETVEJJNCFKCKM-XDHOZWIPSA-N 442.493 2.752 0 40 IFAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 34856275 HHQQKWUXXREZKX-INIZCTEOSA-N 433.961 2.624 0 40 IFAB O=C1CN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]2c3ccccc3CCN12 36108757 DMUNHYVBFISOQX-CYBMUJFWSA-N 427.345 2.641 0 40 IFAB O=C(Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)NCc1ccccc1 57428953 DNAMWYBJMXQVKN-UHFFFAOYSA-N 427.432 2.809 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)CC1 57477925 VCFQURVRCJSGHS-UHFFFAOYSA-N 436.487 2.715 0 40 IFAB O=C(Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1)C(=O)c1c[nH]c2ccccc12 71003121 CIROTEVTGJBMIS-UHFFFAOYSA-N 443.467 2.637 0 40 IFAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(OC)cc(OC)c2)c1C 71327277 RGWONRKMIQKVRN-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB O=C(c1cccnc1)N1CCc2nc(C3CCN(C[C@@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72398751 DTCDTXWWSPQMSX-GOSISDBHSA-N 433.556 2.899 0 40 IFAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77200558 LCAWBYQGPDCJJS-UHFFFAOYSA-N 447.495 2.545 0 40 IFAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1 96115089 WUOWKAKGGKFAOE-NRFANRHFSA-N 448.479 2.744 0 40 IFAB biogenic COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cn([C@@H](C)C(=O)O)c4ccccc34)C2=O)o1 108981741 ROQBZNCEOXZIAX-PFSWGADMSA-N 437.408 2.759 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 136132410 KRMUSJBFIHWDDU-MZLPPYGWSA-N 441.531 2.851 0 40 IFAB biogenic COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 216325309 UHAYWXJBLGBWFO-UHFFFAOYSA-N 443.884 2.517 0 40 IFAB COc1cc2c(cc1S(=O)(=O)NCc1ccccc1CN1CCOCC1)CCCC2 223573589 XUOMYRYOIGKHFA-UHFFFAOYSA-N 430.570 2.885 0 40 IFAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C[C@H]4CCS(=O)(=O)C4)C3)cc2N1 247843296 RDIOIBZMMROCLX-IXYNUQLISA-N 448.511 2.721 0 40 IFAB CN1CCN(C(=O)c2ccnc(N3CCOCC3)c2)C[C@@H](Cc2cccc3ncccc23)C1 257240366 HTCYRJYPSIYJPJ-FQEVSTJZSA-N 445.567 2.713 0 40 IFAB COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408601099 AAMGJQZVRQVTHK-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB O=C(COC(=O)c1cccc(N2C(=O)C=CC2=O)c1)Nc1ccc(Br)cc1F 409226134 OZOBFZHGRYJVEB-UHFFFAOYSA-N 447.216 2.813 0 40 IFAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 524485404 MHSXWINXKXRLCN-JXFKEZNVSA-N 447.539 2.786 0 40 IFAB CCOc1ccc(CC(=O)N2CCO[C@@](COc3ccc(Cl)cc3)(CC(N)=O)C2)cc1 585283391 DZUSJBCGCVQJQJ-QHCPKHFHSA-N 446.931 2.833 0 40 IFAB COc1ccc(Cn2cc(C(=O)NC[C@@H](Cc3ccccc3Cl)C(N)=O)cn2)cc1 597779162 QHFOLIZJXFNQAE-QGZVFWFLSA-N 426.904 2.667 0 40 IFAB O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 604381897 UDNQMPAVMUZDQP-HXUWFJFHSA-N 429.923 2.890 0 40 IFAB biogenic,in-vitro CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(N)=O)ccc21 604526364 UIGQZXKBVHSCNX-HXUWFJFHSA-N 447.495 2.904 0 40 IFAB O=C(c1cnn(-c2ccccc2)n1)N1CCC(Oc2ncc(Br)cn2)CC1 1775978930 WDCNAZMYCVTPNQ-UHFFFAOYSA-N 429.278 2.503 0 40 IFAB O=C(C1CC1)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 1334858 XNMREHKXQKVWBP-LBPRGKRZSA-N 447.326 2.986 0 40 IFAB COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)coc2c1 3547389 MWAPIIYPALDNNU-UHFFFAOYSA-N 432.473 2.656 0 40 IFAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](CC)C(=O)NC(C)(C)C 6632205 IRSAWUVGQJNKQK-GFCCVEGCSA-N 447.561 2.563 0 40 IFAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 8601475 WVTLMDKUQAEPSB-KRWDZBQOSA-N 448.591 2.800 0 40 IFAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c(C)c32)c1C 8764894 WDQMALAQNAYLIS-HNNXBMFYSA-N 431.510 2.961 0 40 IFAB biogenic O=C(Nc1nnc(SCCC2OCCO2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8908532 OYEJNLGOVODWBN-NSHDSACASA-N 438.506 2.524 0 40 IFAB O=C(NCCc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9184413 LOYPQKMBMXRXOO-HNNXBMFYSA-N 448.545 2.590 0 40 IFAB CCOc1cccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 9455603 MTRBQZXFBIDKLC-SFHVURJKSA-N 433.526 2.932 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CCc1ccc(OC)cc1)n2CCC 9465162 JKHINPGJCAOHAM-UHFFFAOYSA-N 442.516 2.781 0 40 IFAB Cn1c(=O)c2c(SCC(=O)Nc3cccc(F)c3)nc(C3CCCC3)nc2n(C)c1=O 9517441 FFYNSKACVCIXKY-UHFFFAOYSA-N 443.504 2.555 0 40 IFAB Nc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1NC(=O)c1ccccc1F 9518085 NWKAPWCVIWPGML-UHFFFAOYSA-N 431.424 2.613 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O 9540255 BAQBUTXJECVVOZ-QGZVFWFLSA-N 430.457 2.725 0 40 IFAB Cc1c(NS(=O)(=O)c2cccc(NC(=O)C3CC3)c2)c(=O)n(-c2ccccc2)n1C 9549008 WJWPUFLGRXMKCC-UHFFFAOYSA-N 426.498 2.634 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9561872 MLCGEXAPPSPVOE-IBGZPJMESA-N 449.484 2.578 0 40 IFAB Cc1ccccc1C(=O)NCCC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 9953685 XHUTWDQKLCXOGR-JOCHJYFZSA-N 435.524 2.922 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 10059994 VBTGZWHKGKCUEM-NSHDSACASA-N 428.894 2.671 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc(Oc2ccccc2)cc1 10450080 VJFGSFUKOUYVEQ-UHFFFAOYSA-N 431.558 2.847 0 40 IFAB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cnccn4)CC3)s2)cc1OC 11545505 WEZPDHDNVPCLIO-UHFFFAOYSA-N 425.514 2.888 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 11594336 YUKIORGVRUTFCL-UHFFFAOYSA-N 442.843 2.512 0 40 IFAB CCOc1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 11919067 MHWXYGUVYCIXGY-MRXNPFEDSA-N 425.485 2.686 0 40 IFAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N([C@H]1CCS(=O)(=O)C1)C3=O 12062829 UVLBSEUMLIHOGL-MGPUTAFESA-N 439.489 2.848 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](C)c3nnnn3Cc3ccccc3)cc2c1 13510403 CHCALWRKVHHVJW-GOSISDBHSA-N 432.528 2.817 0 40 IFAB Cc1cccc2nc(CSc3nnc(N4CCOCC4)n3-c3ccccc3)cc(=O)n12 14094685 CDUZVQIDCWADMN-UHFFFAOYSA-N 434.525 2.713 0 40 IFAB O=c1[nH]ncc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1Cl 15143635 LWDAISWCLHYAEH-UHFFFAOYSA-N 436.965 2.982 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Oc3ccc4c(c3)OCO4)c2c1 16051030 MGYFNJLHNWWPIA-UHFFFAOYSA-N 444.465 2.507 0 40 IFAB Cc1ccc(Cn2c(=O)c3c(nc(SCC(=O)c4ccccc4)n3C)n(C)c2=O)cc1 16839534 CCWHLFRRXUPIAY-UHFFFAOYSA-N 434.521 2.765 0 40 IFAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)[C@@H]3CCCO3)nc21 19698404 CQGLRHSNKUNTPV-FQEVSTJZSA-N 438.528 2.589 0 40 IFAB Cc1ccc(CN2CCC(N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)CC2)cc1C 19699388 XOYHNLKVPQJWAF-UHFFFAOYSA-N 440.588 2.837 0 40 IFAB O=C(NCc1ccccc1F)c1cncnc1CC1CCN(C(=O)C[C@@H]2CCCO2)CC1 19757308 KVNITMXFTYLBOA-IBGZPJMESA-N 440.519 2.896 0 40 IFAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2ccccc12 19761199 ONJWXSQKIMUGMW-OAHLLOKOSA-N 449.536 2.882 0 40 IFAB Cc1nn(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccccc12 21302464 LGEPKPNQLBFDNX-UHFFFAOYSA-N 432.402 2.821 0 40 IFAB COc1ccc(-c2cc(NC(=O)Cn3nnn(-c4cccs4)c3=O)ccc2OC)cc1 22134491 DHKBOLPTJABUIT-UHFFFAOYSA-N 437.481 2.813 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccccc1OC)S(C)(=O)=O 22252384 AIWFMDWRDXYHOI-CQSZACIVSA-N 436.530 2.989 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 22484526 FTGYHDPXKZBXPD-FCHUYYIVSA-N 448.567 2.930 0 40 IFAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 22788548 ZAHPPPRUUWATOF-UHFFFAOYSA-N 429.609 2.538 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 25456584 MOQQUOLWRHYHQC-WMZHIEFXSA-N 425.460 2.965 0 40 IFAB O=C(C[C@@H]1SC(=O)NC1=O)Oc1ccc([C@H]2SCC(=O)N2c2ccc(O)cc2)cc1 28294993 VGSWBGLPINHSFY-HNAYVOBHSA-N 444.490 2.818 0 40 IFAB O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(N2CCCC2=O)c(Cl)c1 29133838 OQBFLNATRJTIGK-UHFFFAOYSA-N 427.935 2.835 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)c1 31066115 WVXUTKPMRPPHHZ-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1C 32850722 LMCHLBAMZWBMDG-MRXNPFEDSA-N 433.505 2.581 0 40 IFAB O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 32900082 HVJWTZDJJUGBMX-UHFFFAOYSA-N 438.553 2.906 0 40 IFAB CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 32915843 FBVFKLZFOWRNKH-KRWDZBQOSA-N 435.402 2.865 0 40 IFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc2c(c1)OCCCO2 36394973 YCWYTUOFWGZXGH-UHFFFAOYSA-N 439.468 2.764 0 40 IFAB C[C@H]1CN(Cc2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H](C)O1 40145610 YCTQVVINJPXNKT-CALCHBBNSA-N 447.557 2.926 0 40 IFAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 57426150 LIRLFJWRJLOXPQ-UHFFFAOYSA-N 433.555 2.760 0 40 IFAB CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C 58166282 BWKPGIDAJORUFY-XUZZJYLKSA-N 443.636 2.629 0 40 IFAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)nn2)n1 62163400 XEAKCKSKUJLTGB-UHFFFAOYSA-N 434.500 2.541 0 40 IFAB Cc1ccc(NC(=S)NC2CCN(C)CC2)cc1NC(=S)NC1CCN(C)CC1 63142413 DWVWCKVHWXGLNV-UHFFFAOYSA-N 434.679 2.756 0 40 IFAB O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1cccc(Cn2cccnc2=O)c1 65523672 LBTOHCAZJOVZOC-UHFFFAOYSA-N 446.555 2.625 0 40 IFAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)NCCc1c[nH]c2ccccc12 70666480 ILLHPJDKIGHXGL-UHFFFAOYSA-N 431.492 2.760 0 40 IFAB biogenic Cc1occc1-c1cc2nc3c(c(O)n2n1)CCN(CC(C)(C)CN1CCOCC1)C3 72339394 SEOJHMZYADHYPL-UHFFFAOYSA-N 425.533 2.720 0 40 IFAB COc1ccc(NC(=O)CN2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1Cl 79022022 PGFFMUADLAWODJ-AWEZNQCLSA-N 437.928 2.585 0 40 IFAB Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1S(=O)(=O)NCc1ccccc1 95466516 FXRJAIMDHMSBDZ-PZJWPPBQSA-N 427.570 2.640 0 40 IFAB COc1cccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C(C)=O)c1 96263287 WIBOOIYKBRETOZ-UHFFFAOYSA-N 434.544 2.646 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(C)cc1)S(C)(=O)=O 219104352 QSSWQYSQIUAVBD-SFHVURJKSA-N 428.514 2.906 0 40 IFAB CCCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 219991010 ZRRAMLFPUDGHCG-UHFFFAOYSA-N 446.569 2.859 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 220219973 ZRKWKELHRYLZFD-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1N(C)S(C)(=O)=O 222456994 CELMSMSBCXLMLH-KRWDZBQOSA-N 445.541 2.552 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222458305 BINTYDIDQKQILE-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 222759781 FJLDHQLEQJFOKJ-OAQYLSRUSA-N 449.548 2.728 0 40 IFAB CC(C)CSc1nnc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)s1 223614727 QMIFHECFQYVAPE-UHFFFAOYSA-N 436.531 2.969 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1C(=O)N1CCOCC1 223893639 KJZQFJDXYSNDGH-UHFFFAOYSA-N 426.585 2.763 0 40 IFAB COc1cccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 223897659 RGKZCBADNSSBFI-CQSZACIVSA-N 426.922 2.698 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1C(=O)NC(C)C 224224961 HXSSTBHKPNMTFZ-UHFFFAOYSA-N 426.922 2.844 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224645130 OHKOBZAMLQMSKR-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)Cc1ccccc1 225421768 NEESLFYDSLEJKX-UHFFFAOYSA-N 429.542 2.713 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)C(C)C)C3)nn2c(C)c1CCC(=O)NCc1ccccn1 257285657 PIDQFFSRJYJEPZ-IBGZPJMESA-N 448.571 2.962 0 40 IFAB O=C(C[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC[C@@H]1Oc1ccccc1)N1CCOCC1 257304009 SJSFTUUEXQIPAA-REWPJTCUSA-N 440.515 2.913 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1 409060896 WYHRYQVQBRMRBZ-BJKOFHAPSA-O 443.527 2.777 0 40 IFAB CC[C@@H](C)Oc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC 409194647 QBKLJCVZTYSHEA-SZJBZFAYSA-N 430.242 3.000 0 40 IFAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)NCCOC)C1=O 409217215 OCCVGBYAUXHNNE-ZROIWOOFSA-N 443.319 2.647 0 40 IFAB CN1c2ccc(F)cc2N(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)S1(=O)=O 575613045 PGSYEKKGDNRPOW-UHFFFAOYSA-N 441.912 2.954 0 40 IFAB O=C(NC1CCCCC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)Cc2ccccn2)C1 585107517 YSFLHVAGQMEZKG-DEOSSOPVSA-N 436.560 2.533 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc(C)on3)CCO2)C1=O 643556150 JMGWREUZCSVDFJ-XMMPIXPASA-N 441.528 2.848 0 40 IFAB COc1ccccc1N1CCN(CC(=O)N2CC[C@@H](Oc3cnc4ccccc4n3)C2)C1=O 670497511 JUMUVFYLJVAOAZ-QGZVFWFLSA-N 447.495 2.560 0 40 IFAB O=C(C1CC(F)(F)C1)N1CCO[C@]2(C1)C(=O)N(Cc1cccnc1)C[C@@H]2c1ccccc1 1565555663 FNUNKGCJFGWNKF-YKSBVNFPSA-N 441.478 2.851 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1889291084 CGJHZGNAXTUGCG-UHFFFAOYSA-N 431.489 2.645 0 40 IFAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2149273 YAVWLTGQSCTQLK-URVUXULASA-N 448.567 2.647 0 40 IFAB biogenic CCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 2647338 BECLOAAJCBMPTA-UHFFFAOYSA-N 436.555 2.745 0 40 IFAB C[C@@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 4142632 XVDYAKZWFRVEBQ-GDBMZVCRSA-N 431.583 2.716 0 40 IFAB CCCC[C@H](Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nnc(N)[nH]1)C(=O)OC 6013592 LEJYVRSJMLWXKX-NSHDSACASA-N 447.970 2.973 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 8927481 HCCITTNYYRILCR-AWEZNQCLSA-N 435.263 2.913 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(F)cc3)C2)cc1 9059508 SSCJXOYGPDSVLQ-SFHVURJKSA-N 433.461 2.740 0 40 IFAB Cc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)CCC(=O)O 9060549 QISVANNWUPMLDN-LJQANCHMSA-N 429.498 2.909 0 40 IFAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cc(Br)ccc1O 9189642 QANKUGBJQUJPGD-GFCCVEGCSA-N 441.351 2.820 0 40 IFAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 9305284 DJILSXFGDYLCKC-INIZCTEOSA-N 431.514 2.693 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1 9509025 AEXMFNJUMIYYOG-UHFFFAOYSA-N 436.574 2.961 0 40 IFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc2c3c(c1)[C@H](C)C(=O)N3CCC2 9708648 TZBQMUIKNROKBM-LBPRGKRZSA-N 429.498 2.851 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 10453137 CWYPFKCYUHUDIZ-SECBINFHSA-N 447.296 2.833 0 40 IFAB CN(C)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2c(F)cc(F)cc2s1 12140835 IYJINJJJRDDTSA-UHFFFAOYSA-N 444.463 2.765 0 40 IFAB C[C@H](NC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1)C(=O)N1CCCCC1 12219732 IDPZWXZAOLGNNK-INIZCTEOSA-N 428.558 2.778 0 40 IFAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc(Cl)cc2)c3=O)cc1 12234138 SYFIXHVREJDMPK-UHFFFAOYSA-N 425.876 2.772 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3nnc(C(C)C)s3)c2c1 12772901 QWIHTAXNRFRTKG-UHFFFAOYSA-N 449.558 2.786 0 40 IFAB Cc1nc(C)c(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)s1 13163594 WISCAKMYRKNHJT-UHFFFAOYSA-N 441.557 2.933 0 40 IFAB COc1ccc([C@@H](CNC(=O)CN2CCC(C(N)=O)CC2)c2c[nH]c3ccccc23)cc1 13164345 RQMUTTJICFBECV-OAQYLSRUSA-N 434.540 2.622 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)sc2c1 13495640 CQBZFCJBURMPGS-LLVKDONJSA-N 433.486 2.831 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 14184571 OJHBUMBRUZEMID-KRWDZBQOSA-N 429.904 2.770 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1Cl 14410743 IZETZUYKXSTHAA-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nnc(Cc3ccccc3)s2)C1=O 16046649 UEYKCNYXIXQFMB-JOCHJYFZSA-N 435.509 2.925 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)c1cccs1 19459652 TXWPDEXWFLRQQI-KIMHZCHSSA-N 427.526 2.845 0 40 IFAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(C(=O)c4sc(C)nc4C)CCO3)nc2)cn1 19693529 NNQQDCPTKSZZLZ-LJQANCHMSA-N 437.525 2.790 0 40 IFAB Cc1nn2c([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)ccnc2c1Cn1ccnc1C 19707763 NCHJQRIFHMRQTR-QFIPXVFZSA-N 448.502 2.873 0 40 IFAB CNC(=O)c1cc([C@@H]2CCN(C(=O)CCNc3nc(C)cc(C)n3)C2)nc2ccccc12 19761053 VNBFAJXTRBMKBJ-QGZVFWFLSA-N 432.528 2.819 0 40 IFAB CNC(=O)c1cc([C@H]2CN(S(=O)(=O)c3ccc(F)c(C)c3)CCO2)nc2ccccc12 19762010 GROMNAHDIIDGGF-OAQYLSRUSA-N 443.500 2.804 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)CN4CCCC4)C3)nc2C)cc1 19765437 IAQIJZRHDBHPJD-GOSISDBHSA-N 437.544 2.848 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20021153 TXSIJGYFTDGGNV-OAHLLOKOSA-N 438.571 2.589 0 40 IFAB Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 20494995 DZGFXKJMVYRLKU-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(N3CCCC3)n1C1CC1)OCO2 21693821 CLTNKKIKDDCKGS-UHFFFAOYSA-N 429.502 2.875 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 21937207 FJFAOWFLYKBMMW-UHFFFAOYSA-N 425.482 2.902 0 40 IFAB CSc1nc(C)c(CCC(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(C)n1 26706704 PLIVLEZNKFNQSM-HXUWFJFHSA-N 429.542 2.891 0 40 IFAB Cc1nc2c(C(=O)NCc3ccco3)nc(-c3ccco3)cc2n1[C@H]1CCS(=O)(=O)C1 32616056 WFFPLSKVHHPMMQ-AWEZNQCLSA-N 440.481 2.882 0 40 IFAB CCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 32830879 DLSNKQPISXKVSW-AWEZNQCLSA-N 430.505 2.966 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nc(C)n[nH]2)cc1 32932353 OIJINTSMIDTEHI-UHFFFAOYSA-N 449.558 2.611 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(C)c(C)c1 38183644 KJFCLGPTAKPSKQ-SFHVURJKSA-N 435.484 2.896 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2cccc(Cl)c2)Oc2ccccc21 38848508 KQSHWQWXKHKTEJ-SFHVURJKSA-N 440.974 2.917 0 40 IFAB CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(C(=O)OCC)c3)c3ccccc3n12 57522657 OBTZJUULYADTKB-UHFFFAOYSA-N 433.468 2.812 0 40 IFAB COCCn1nnnc1CN(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 57615819 YMXWWSZZHBFHFV-UHFFFAOYSA-N 432.528 2.980 0 40 IFAB CC[C@@](C)(CNC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)N1CCOCC1 58216487 CRXQQJGFRSIMTE-VGSWGCGISA-N 428.537 2.705 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)c1 59816919 YIAMWWRGSRWYIH-HEHGZKQESA-N 425.489 2.610 0 40 IFAB COCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(N2CCCC2)n1 67256897 KEMUGMGJTRZRAG-UHFFFAOYSA-N 439.285 2.530 0 40 IFAB COc1ccc(NC(=O)CN2C[C@@H](C)N(CC(=O)Nc3ccc(OC)cc3)C[C@@H]2C)cc1 72308495 SLASOKKMHYZFOP-HDICACEKSA-N 440.544 2.676 0 40 IFAB Cc1cccc(NC(=O)Nc2cccc3c2N(Cc2cc(=O)n(C)c(=O)n2C)CCC3)c1 72308727 DICZARBFJNERCG-UHFFFAOYSA-N 433.512 2.989 0 40 IFAB CCCCNC(=O)CN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]2(C)NC(=O)c2ccccc21 72341886 HLTZHEFGHHQKIF-LVXARBLLSA-N 448.567 2.570 0 40 IFAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 72350145 FXUIEJJQIQAOMF-IBGZPJMESA-N 426.542 2.851 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)NCCc3csc(-n4nc(C)cc4C)n3)CC2=O)c1 90609335 CCSWUZNYPWUVHA-INIZCTEOSA-N 439.541 2.666 0 40 IFAB CCCOc1ccc(N2C(=O)C[C@H](NC3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 100205773 CGZBZWWWIGQSMX-SFHVURJKSA-N 443.935 2.809 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@@H]3C2=O)cc1C 101277564 YWTYAKGXNIBBRR-OALUTQOASA-N 446.423 2.576 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220208582 SHPXSRTYHQXVCI-ZDUSSCGKSA-N 438.502 2.514 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1cccc(OC)c1)S(C)(=O)=O 220634583 DQCSBWLLRJWCIE-GOSISDBHSA-N 444.513 2.606 0 40 IFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-n1cnnc1 223488179 GNXDDCCYOSXUKT-NHCUHLMSSA-N 430.541 2.971 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCN3CCCC3)cc2)cc1 224440813 QVUGOBHCPQBVDR-UHFFFAOYSA-N 445.585 2.732 0 40 IFAB CCOc1ccc(C(=O)N2CCOCC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224826662 GEKUHIGXMSCNNG-UHFFFAOYSA-N 432.542 2.687 0 40 IFAB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224954521 LLCNAGZGUZSYAH-UHFFFAOYSA-N 429.878 2.734 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(F)cc3F)S(C)(=O)=O)ccc21 225114679 WHDUIGLOUCMFKU-UHFFFAOYSA-N 441.481 2.766 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)CC[C@@H]1Oc1ccc(Cl)cc1 257322215 WFAYEJPVALBYCU-UGSOOPFHSA-N 426.897 2.813 0 40 IFAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 408584946 WZUMBYLLWDNSNP-LLVKDONJSA-N 440.319 2.713 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1 409060899 WYHRYQVQBRMRBZ-DNQXCXABSA-O 443.527 2.777 0 40 IFAB Cn1nccc1[C@H]1CCCCN1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 500413223 DDPAITHCIRBAJT-HXUWFJFHSA-N 427.574 2.775 0 40 IFAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)c1 585274710 YUDJYDCPYZOIEJ-QHCPKHFHSA-N 446.931 2.899 0 40 IFAB CCOc1ccccc1S(=O)(=O)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775972036 ACSVVOFIGUEODA-UHFFFAOYSA-N 427.526 2.896 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)c2ccc(F)cc2F)cc1 3207355 FKDQMRUUDGBLHP-UHFFFAOYSA-N 440.468 2.582 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1 3253259 ZIFASIODTUYBHK-UHFFFAOYSA-N 428.919 2.652 0 40 IFAB CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 8924000 QRLGQGUMIOZWTK-KXBFYZLASA-N 429.498 2.540 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccn3)o2)cc1 9428049 ZZNKXDLFKQTXRB-AWEZNQCLSA-N 427.486 2.947 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2N)cc1 9959114 HYTVYEXJKXOUJI-LBPRGKRZSA-N 439.921 2.793 0 40 IFAB CC(C)[C@H](Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O 11987492 JJYZZVBOMDNFOP-FMKPAKJESA-N 434.566 2.713 0 40 IFAB CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1OCC 12137742 UNYWDVVZLQTLJB-HNNXBMFYSA-N 441.322 2.522 0 40 IFAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12775331 LEMVQVBDROJFMN-UHFFFAOYSA-N 432.452 2.502 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC(C(=O)N3CCCCCC3)CC1)OCO2 12812214 IXWILILYQAJEEU-UHFFFAOYSA-N 429.517 2.671 0 40 IFAB CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccc(F)c1 12971745 ICTJJTBDVAVRKD-SFHVURJKSA-N 427.929 2.762 0 40 IFAB COc1ccc([C@@H]2C[C@H](c3ccc(OC)cc3)n3nc(NS(C)(=O)=O)nc3N2)cc1 13123312 DFFHLYOVNRJNQG-ZWKOTPCHSA-N 429.502 2.813 0 40 IFAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 13129989 UHCLJINXQWUWBC-UHFFFAOYSA-N 447.520 2.873 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 13686889 WULDXKMCPZMBAX-MRXNPFEDSA-N 435.480 2.610 0 40 IFAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1F 13955884 WTBKUBVOWOTQQA-UHFFFAOYSA-N 449.458 2.936 0 40 IFAB O=C(CCc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1ccc2c(c1)OCO2 16848331 WLXAMEYNRCGXHN-UHFFFAOYSA-N 445.522 2.922 0 40 IFAB O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 18047299 XGUORRHBOCQQIB-UYAOXDASSA-N 429.517 2.818 0 40 IFAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 19555645 KGQFEEYUUZMBLD-GOSISDBHSA-N 445.523 2.774 0 40 IFAB COc1ccc(Cn2nnnc2CN2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)cc1 19556185 VXNWZPRMBMOFJZ-IBGZPJMESA-N 430.516 2.895 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CCN(C(C)=O)C2 19707355 NZAQIFIFSKSQQX-NRFANRHFSA-N 437.544 2.728 0 40 IFAB O=C(NCCO)c1cc([C@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)nc2ccccc12 19762653 OFKWJVNEBIYZTO-INIZCTEOSA-N 447.539 2.579 0 40 IFAB Cc1cccc(CSCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 20245210 CVAZCIJIDFMSDG-UHFFFAOYSA-N 439.578 2.797 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC 20762910 YQDYWYLIQHDLLL-MJWYBRSISA-N 430.505 2.672 0 40 IFAB biogenic CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc2c(c1)OCCO2 22252806 NTFJMGRCIMQDSJ-UHFFFAOYSA-N 436.486 2.513 0 40 IFAB COc1ccc([C@@H](CC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)NC(C)=O)cc1 22305126 IXGMUYSZOBZELX-QEEYODRMSA-N 446.573 2.967 0 40 IFAB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)nn3C)nc2c1 22768224 UWYJCJTWDQGQGH-UHFFFAOYSA-N 429.546 2.716 0 40 IFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 23080482 DEXUJUAPWQKGAQ-UHFFFAOYSA-N 442.516 2.848 0 40 IFAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 24863974 XQDRLLUQANHZNE-UHFFFAOYSA-N 436.505 2.518 0 40 IFAB COc1ccc2c(C)c(CCC(=O)OCc3cc(=O)n4ccsc4n3)c(=O)oc2c1 26088349 ZQVMPGRLMANCMF-UHFFFAOYSA-N 426.450 2.855 0 40 IFAB COc1cc(C(=O)N[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C(C)C)cc(OC)c1OC 32975329 NDPZIYYMJAMFAY-HXUWFJFHSA-N 444.484 2.512 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 35361673 XYCYHSGPTIKFCM-QFIPXVFZSA-N 428.492 2.790 0 40 IFAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c2ccc(F)cc21 36360565 IXFUNLVZFHVUJE-JOCHJYFZSA-N 440.475 2.594 0 40 IFAB CS(=O)(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)Cc3ccccc3)n2)c1 38575676 GWSYHHUYWDKSGL-UHFFFAOYSA-N 444.538 2.877 0 40 IFAB Cc1ccc2c(CN(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cc(=O)oc2c1 48332157 OTMGCNHHLZQQIC-UHFFFAOYSA-N 426.517 2.852 0 40 IFAB O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2Cl)CC1 49388280 IMYVEQSYIFHTCT-UHFFFAOYSA-N 442.903 2.660 0 40 IFAB Cc1ccc(CNC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1 49411514 VDCYJRJNJCMJPJ-UHFFFAOYSA-N 440.500 2.945 0 40 IFAB CC(C)c1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408740 WXXBFGHVALZYOQ-VQTJNVASSA-N 442.537 2.553 0 40 IFAB CCOC(=O)Cn1c(Cl)c(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)sc1=O 72336949 SWGCJAVWHALUQR-GXTWGEPZSA-N 447.948 2.739 0 40 IFAB CCN(CC)C(=O)CN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]2(C)NC(=O)c2ccccc21 72341876 RQWQVRLQPUKLBC-LVXARBLLSA-N 448.567 2.522 0 40 IFAB Cc1nc(-n2cccc2)sc1C(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77197949 HYLSQVRGPHWNMZ-UHFFFAOYSA-N 434.525 2.897 0 40 IFAB COC(=O)[C@@H](NC(=O)CC[C@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)(C)C)C(C)(C)C 79104598 LWHBZPRVAZXJPG-KBAYOESNSA-N 442.597 2.837 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(Cc2cccc(F)c2)C2CC2)C1=O 84668174 RQTFXKSOOGBHBC-DEOSSOPVSA-N 438.503 2.765 0 40 IFAB CCOC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 95966976 DAQFZFVIPLOPEJ-LSDHHAIUSA-N 435.498 2.724 0 40 IFAB O=C(NC1CCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 96251448 PKWXVYBFAYNZJL-CYFREDJKSA-N 425.577 2.778 0 40 IFAB O=C(NC1CCCC1)c1ccc(NC(=O)c2nc3ncc(Br)cn3n2)cc1 97159675 CTNQMGCADHDZLK-UHFFFAOYSA-N 429.278 2.812 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccccc4F)CC3)C2=O)cc1 100209945 IPCOVKFEMUXFOA-FQEVSTJZSA-N 425.460 2.821 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224194391 ZYZABVSNYUQCNN-NRFANRHFSA-N 445.585 2.705 0 40 IFAB Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 224355562 IJKAVXJQTLOFMN-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)cc1 225401352 FLYJKAPBFYZXTL-OALUTQOASA-N 427.555 2.969 0 40 IFAB Cc1cccc(CN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@H](C)C(=O)NC(C)C)c1 225510572 ZZWIKXMPFNGCBT-NRSPTQNISA-N 439.556 2.578 0 40 IFAB O=C(c1cccc(-n2cccn2)c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544801 CBXHVLOTTWJVBQ-UHFFFAOYSA-N 446.486 2.980 0 40 IFAB C[C@@H]1[C@@H](N2CN=C(NS(=O)(=O)c3ccc(Br)cc3)NC2)CCC[C@H]1C 253564062 GCQSNAMFGIYCLD-WWGRRREGSA-N 429.384 2.728 0 40 IFAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257226228 FJSBTXZVXCYBEJ-NRFANRHFSA-N 445.470 2.575 0 40 IFAB Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCCN2S(=O)(=O)c2c(C)n[nH]c2C)n1 257263064 LOFMTMQQMBOREU-SFHVURJKSA-N 446.577 2.667 0 40 IFAB O=C(CN1C(=O)CCC1=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257279625 OHLFUVQFXKRVQY-HRAATJIYSA-N 432.904 2.710 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)c(C)n1 257328106 XEDOGSRDSNGJAJ-FQEVSTJZSA-N 445.520 2.960 0 40 IFAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 257330735 XPRJBBFRNUBFNW-KRWDZBQOSA-N 432.546 2.509 0 40 IFAB C[C@H](C(=O)NC[C@H]1CCCO1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408675663 BKEZGBOKVZQDEC-WNGPBPPJSA-N 430.504 2.562 0 40 IFAB O=C(O[C@@H]1C(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409294952 CMJOOMLYBOEPQY-FARZLIQASA-N 433.460 2.995 0 40 IFAB NS(=O)(=O)c1cccc(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 509047679 KSVPJLGIWBWZCG-NRFANRHFSA-N 437.521 2.512 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)C(=O)N1CCc2c(ncn2-c2ccccc2)C1 559492993 DWKWLPCSSNUTEF-UHFFFAOYSA-N 443.551 2.669 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CCn2c3nn(Cc3ccccc3)c(=O)c2=O)c1 585106513 HAZLXJSVQSPAMW-UHFFFAOYSA-N 444.535 2.648 0 40 IFAB Cc1cnc(Nc2cccc(CC3CCN(S(=O)(=O)c4cn(C)cn4)CC3)n2)s1 585262651 OUMCIDBVOYIUPV-UHFFFAOYSA-N 432.575 2.967 0 40 IFAB O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2c(Cl)cccc21)Nc1cccc(F)c1 1775968636 IGYSHDSBQLFWLD-HNNXBMFYSA-N 431.851 2.773 0 40 IFAB CCn1nc(C)c(S(=O)(=O)N(C)C2CN(c3ncnc(-c4ccccc4)c3F)C2)c1C 1775973210 JZFFYUMTBSXSPF-UHFFFAOYSA-N 444.536 2.625 0 40 IFAB Cn1c(CCC(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)nc2cc(Cl)ccc21 2037880114 AFJZESBTXJVSOD-QFIPXVFZSA-N 445.926 2.841 0 40 IFAB O=C(O)CCN1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C1=O 2079036 OGYWZRYGIQECNN-UISNHOIMSA-N 426.266 2.860 0 40 IFAB O=C(O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 2655615 LGOWMXLXKNCIFS-UHFFFAOYSA-N 442.415 2.550 0 40 IFAB CC(=O)c1cccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)c1 4222810 ZTKZGTHJMOCJBU-MTQWCTHYSA-N 425.441 2.794 0 40 IFAB biogenic,in-vitro CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 4847557 UYPPZQZMUXWLKX-IBGZPJMESA-N 428.537 2.614 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccccc3F)cc2c1 6196612 ABCDEFSATIWXBI-UHFFFAOYSA-N 434.489 2.639 0 40 IFAB CCc1sc(-c2nnc(COC(=O)CNC(=O)c3ccc4c(c3)OCO4)o2)cc1C 8882237 RPBLYBRHYQHVFE-UHFFFAOYSA-N 429.454 2.871 0 40 IFAB O=C1NC(=O)[C@@](CCCCCC[C@]2(c3ccccc3)NC(=O)NC2=O)(c2ccccc2)N1 8925984 TZOQNPJTEOEUQT-DNQXCXABSA-N 434.496 2.797 0 40 IFAB CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1ccccc1 9120604 JJJLOSGAJUZLOZ-UHFFFAOYSA-N 445.570 2.946 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n(CCCO)c2c1CCCC2 10275754 XUYPGDMUUJYJLU-UHFFFAOYSA-N 437.949 2.897 0 40 IFAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1 12289051 DSWULZXTPNAZAA-KRWDZBQOSA-N 443.507 2.876 0 40 IFAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(Br)c1 12508008 GMTMHVAIXZYQBY-UHFFFAOYSA-N 431.333 2.691 0 40 IFAB Cc1cccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 12996279 QDEWWEXYUYLIHJ-UHFFFAOYSA-N 429.498 2.716 0 40 IFAB CCCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 13072128 QNBUOLRNXIAQPO-IBGZPJMESA-N 433.501 2.861 0 40 IFAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 13533231 AROXZJHCQVPHFS-UHFFFAOYSA-N 425.869 2.692 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(O)c(Cl)cc34)CC2)cc1 15624030 FOYSJXGWACHEMB-UHFFFAOYSA-N 448.928 2.967 0 40 IFAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)COc2ccccc2)CC1 16574945 XBIRTZRVMGJCLG-UHFFFAOYSA-N 440.569 2.883 0 40 IFAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 16588256 JIYJSRRJFAAXLK-UHFFFAOYSA-N 442.907 2.828 0 40 IFAB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 17169983 REPRFTMCDYRUQL-SFHVURJKSA-N 438.546 2.967 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2N)cc1 19022280 VUYFNVIYFCUADD-QGZVFWFLSA-N 447.495 2.767 0 40 IFAB Cc1ccccc1C1(O)CCN(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 19236910 RQSIJCBGLKACQL-UHFFFAOYSA-N 442.581 2.874 0 40 IFAB CC[C@@H]1C(=O)NCCN1C(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 19748167 TUKQPMXHKZDBFU-OAQYLSRUSA-N 425.573 2.864 0 40 IFAB Cc1cc(NC(=O)Cn2cc(C(=O)NCC3(c4ccccc4Cl)CC3)ccc2=O)no1 19749388 OMGMQPRUQLPJNA-UHFFFAOYSA-N 440.887 2.898 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)c(C)n1 19761521 MQYASKVPFJYBIJ-MRXNPFEDSA-N 441.557 2.640 0 40 IFAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19762106 BLXIFIJZBMTXID-NRFANRHFSA-N 448.589 2.581 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc2)c1 22612203 FNRYUPAFDIEIAB-QZTJIDSGSA-N 441.528 2.552 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3cccc(C)c3)C2)cc1 23796814 BDNQVHUEBQWFDC-SFHVURJKSA-N 432.542 2.600 0 40 IFAB O=C(c1ccccc1Br)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24683383 XYRPIITVIFYHEB-UHFFFAOYSA-N 427.302 2.644 0 40 IFAB CC(C)N(CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(C)C 24865360 ZOPFWAFOORXFTO-NRFANRHFSA-N 449.592 2.950 0 40 IFAB Cc1cc(C)cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 36398682 GOAWGXGAFGROAA-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB O=C1C[C@H](c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)N2N=CNC2=N1 38202362 IRWPGAAHEKVKFY-MRXNPFEDSA-N 431.374 2.899 0 40 IFAB Cc1nnc2ccc(-c3cccc(NC(=O)Cn4cnc(-c5ccccc5)cc4=O)c3)nn12 38486308 SEDYRCVPUJXAQC-UHFFFAOYSA-N 437.463 2.962 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCCC[C@H]3N3C(=O)CSC3=O)[nH]n2)c1 38679696 ZLLWAYISKRMZOW-WMLDXEAASA-N 444.513 2.830 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(OC)c1 38834682 BRKQKBLFORARTD-QGZVFWFLSA-N 440.905 2.913 0 40 IFAB COc1ccc([C@H](NC(=O)CN2CCC[C@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 40151469 VHXJWKDCFUNQIT-QFBILLFUSA-N 431.562 2.711 0 40 IFAB COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)c1 49406505 GWKKQLICYLNQME-UHFFFAOYSA-N 437.475 2.758 0 40 IFAB CCOC(=O)[C@@H]1[C@@H](c2c(OC)ccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 57531351 SAOWSHFBPDQXGO-HDMKZQKVSA-N 428.432 2.797 0 40 IFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccccc2N2CCc3sccc3C2)C1 71808633 LKTULDIFEPMYDG-INIZCTEOSA-N 434.587 2.856 0 40 IFAB COC(=O)CCOc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1 72307368 PJJWWMJWGQWAKD-UHFFFAOYSA-N 432.498 2.639 0 40 IFAB CN(C)CCn1cc(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c2ccccc21 78720239 HXHSXRRWLFRDSS-FQEVSTJZSA-N 437.466 2.506 0 40 IFAB CCOC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(C)C 84791156 NAUGNYXZTXRXNG-IBGZPJMESA-N 438.590 2.716 0 40 IFAB O=C(O)CCCCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 95424992 VCIQHQUZRVTXPR-UHFFFAOYSA-N 435.458 2.770 0 40 IFAB O=C(O)Cn1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O 95445375 BPDVERIEJKJALK-UHFFFAOYSA-N 444.309 2.771 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4cn5c6c(cccc6c4=O)CC5)C3)cc2n1 100138003 SNVLIWRVPIGCNV-MRXNPFEDSA-N 429.480 2.634 0 40 IFAB COc1cc([C@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)ccc1OCCC(C)C 104279759 ZZXJNMJWMJUKSF-NRFANRHFSA-N 441.532 2.646 0 40 IFAB COC(=O)c1cc(S(=O)(=O)NCc2nc(-c3cccc(OC)c3)no2)ccc1Cl 223910398 SYQWXCXSVCVZOV-UHFFFAOYSA-N 437.861 2.664 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 225180899 NUMWEWUAFZCLMT-QFIPXVFZSA-N 445.585 2.584 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 306133102 MBYOJTOIWNKMCZ-IAGOWNOFSA-N 447.495 2.572 0 40 IFAB COc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 306138893 SKGZTOYPPFTCHU-AZGAKELHSA-N 444.535 2.882 0 40 IFAB CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409061873 JLSZLEDROVIVKE-DHIUTWEWSA-O 431.491 2.908 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 409392263 QSONOXDVTUPVBH-FQEVSTJZSA-N 428.554 2.989 0 40 IFAB O=C(N[C@@H](C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21)c1ccccc1)c1ccccc1 1153785378 GCNHIAANZPGNNP-PXDATVDWSA-N 429.476 2.504 0 40 IFAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3cccc(OC(F)F)c3)C[C@H]12 1549163020 ZMKCKTHCODTYDR-SFHVURJKSA-N 435.471 2.696 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CN(c5ccc(C(C)(C)C)nn5)C[C@@H]4C3)nn2)n1 1888897845 IZDUBSUIUXZWKU-QZTJIDSGSA-N 446.559 2.575 0 40 IFAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2NCc2ccncc2)[nH]1 2332241948 RNIDXLDVAVABES-KKSHJYNMSA-N 433.556 2.867 0 40 IFAB O=C(Nc1ccccc1Br)c1ccc(S(=O)(=O)N2CCOCC2)cc1 902474 KSSOBLTZLTUFFY-UHFFFAOYSA-N 425.304 2.722 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 1098560 ZGOAEASDCSCTII-FJJYYWMZSA-N 444.896 2.663 0 40 IFAB CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 2653469 KJLSJERLCUZMDK-UHFFFAOYSA-N 425.557 2.629 0 40 IFAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 4144841 UUYVDPLCMMQQJZ-UHFFFAOYSA-N 428.392 2.612 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)N1CCCC1)OCCO3 6445169 CBFCJGUFYOBPTM-NRFANRHFSA-N 436.516 2.976 0 40 IFAB CCNC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 8687330 IXKPYECWMPSXOQ-NZQKXSOJSA-N 440.496 2.867 0 40 IFAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1CN1C(=O)CNC1=O 9051066 WSRQPGCVCFIUCH-UHFFFAOYSA-N 440.931 2.786 0 40 IFAB CCn1c(=O)n(CC)c2cc(NC(=O)CSc3nnc(-c4ccncc4)n3C)ccc21 9236124 BJLJTPXFYGSFJV-UHFFFAOYSA-N 437.529 2.764 0 40 IFAB CN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2cccc(Cl)c2)cn3C)CC1 9435706 ANOPANSREPCUQI-UHFFFAOYSA-N 449.935 2.916 0 40 IFAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)cc1 9829479 JVFHIJDHNRTWSR-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC2 10673354 JBTYPEGEEZWDPG-INIZCTEOSA-N 441.553 2.950 0 40 IFAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC3CCCC3)[nH]c2=O)cc1Cl 12414593 JLGNDMYNDPFZLH-UHFFFAOYSA-N 441.962 2.715 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 12542433 PQNHEIVHMGWQGK-HXUWFJFHSA-N 435.977 2.992 0 40 IFAB Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C)C(=O)NC1CCCCC1 12715141 LHUWNUMPFDRAMG-CYBMUJFWSA-N 429.546 2.617 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)C[C@@H](C)O1 12777373 WJGARZZDBHZUTD-CALCHBBNSA-N 441.553 2.938 0 40 IFAB COC(=O)c1c(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)nc2ccccc2c1C 12854205 JWUHDINBJVAKMJ-IRXDYDNUSA-N 436.464 2.714 0 40 IFAB Cc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12994880 KZAHIOFJSIOZGV-UHFFFAOYSA-N 444.553 2.826 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCCCCCC(C)C)cc2)CC1 13012249 XUDLUCWJQSHTPT-UHFFFAOYSA-N 437.606 2.876 0 40 IFAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O 13101745 MLQCRLJYCBAWAR-HXUWFJFHSA-N 449.294 2.786 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(Cl)ccc1OC 13141485 DSPAMHQPZHBWRC-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB O=C(c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1)N1CCC(O)CC1 13691312 RTTODMPVVUQYPA-UHFFFAOYSA-N 435.502 2.833 0 40 IFAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)cc1 15019699 GHBQEWSXAIIKKK-UHFFFAOYSA-N 449.533 2.651 0 40 IFAB Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C 17577770 KLBDIDSJZWPFFI-FQEVSTJZSA-N 431.539 2.813 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(O)(CN2CCc3ccccc3C2)CC1 19134426 WTIVJXSMZIEGNC-UHFFFAOYSA-N 430.570 2.578 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(C(=O)c4cc[nH]c(=O)c4)C[C@H]32)cc1 19557260 FZXPMMLOMZHHSB-FKBYEOEOSA-N 435.524 2.640 0 40 IFAB Cc1nc(CN(C)CC(=O)Nc2cccc(F)c2C)nc2c1CCC(=O)N2CC1CC1 19698104 XUGRHOQJUBHGOF-UHFFFAOYSA-N 425.508 2.992 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2ccnc(N3CCCC3)n2)CCO1 19705473 PMIKDQMMEBUHAB-QGZVFWFLSA-N 438.557 2.620 0 40 IFAB CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(C(=O)c2ccnc(N3CCCC3)c2)C1 19739246 CMEPMOINDBMNMR-QHCPKHFHSA-N 425.533 2.614 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 20214349 QVFLRMQUGQHQFD-QHCPKHFHSA-N 434.540 2.988 0 40 IFAB C[C@@H]1[C@@H](NS(C)(=O)=O)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@@H]12 20467365 DMIMAKNMSOGHJQ-HXLMAOHPSA-N 428.639 2.813 0 40 IFAB biogenic,in-vitro COc1ccccc1[C@@H](CNC(=O)CCc1c(C)nc2nc(SC)nn2c1C)N(C)C 23737051 XJXUJMXRHAIUOJ-GOSISDBHSA-N 442.589 2.823 0 40 IFAB CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)NC)c2)N(C)C)cc1 32733308 GAESAFIXRSEJAE-HKFHZZIHSA-N 445.585 2.598 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c(C)c1 44857285 ZTCRJAIYRIZVEE-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)CCCC2 60959894 WKCRGMPRLKBZNN-SFHVURJKSA-N 441.597 2.993 0 40 IFAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 70640264 QGDMSIPIMSSXPI-KRWDZBQOSA-N 435.402 2.621 0 40 IFAB O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 71805109 KSHWQZAQCPMPCL-UHFFFAOYSA-N 427.508 2.940 0 40 IFAB COC(=O)Cn1c(C)c(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2ccccc21 72336801 STAQLBMTIQBZTH-UHFFFAOYSA-N 443.507 2.826 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H](CCSC)Nc2nc(C)cc(C)n2)CC1 95473374 ZGLPPFPSIMUEBD-GOSISDBHSA-N 429.590 2.984 0 40 IFAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCC[C@H]1C 102390632 RXRYRPFYOSLBSI-UWVAXJGDSA-N 436.574 2.959 0 40 IFAB COc1ccc(C(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1OC 223124773 KPTKYTHPACWOCB-UHFFFAOYSA-N 426.469 2.601 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3nc(-c4ccc(C)cc4)no3)ccc21 223914794 WBZWSIIDIQMKIO-UHFFFAOYSA-N 426.498 2.823 0 40 IFAB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964579 SSAZKWYLRBOCGQ-UHFFFAOYSA-N 441.889 2.812 0 40 IFAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)ccc21 225161716 ZJOLKOAECAJPTG-KRWDZBQOSA-N 447.538 2.810 0 40 IFAB CSc1nnc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)s1 225464369 NUMYXWKNHCOFDX-UHFFFAOYSA-N 427.360 2.972 0 40 IFAB CCOC(=O)COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccccc3)S2(=O)=O)cc1 225951063 GRCHOAKDLSSPQZ-QFIPXVFZSA-N 446.525 2.956 0 40 IFAB Cc1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)no1 257295734 QZQDPWOYOXPAKA-JXFKEZNVSA-N 447.919 2.795 0 40 IFAB COC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408622470 OSWVGJVSNNIXHR-AWEZNQCLSA-N 432.970 2.823 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408636941 WNNBUKFOYLMJSH-ZDUSSCGKSA-N 442.921 2.679 0 40 IFAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 408662534 FEKVMUKLOUHWOH-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1ccc(OC)c(Cl)c1)c1ccc2c(c1)OCO2 408706368 HCNKQUYFWOONDA-UHFFFAOYSA-N 426.878 2.872 0 40 IFAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 409061847 JCDJRKYMYPRMSD-DNQXCXABSA-O 443.527 2.777 0 40 IFAB COCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)OC)C1=O 409141824 WWJCXKSSBWKACC-MDWZMJQESA-N 430.276 2.684 0 40 IFAB Cc1nc(N2CCC(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 575614553 WKTYKSVIEBNODU-NSHDSACASA-N 431.459 2.802 0 40 IFAB Cc1ccc2nc([C@@H]3CCCN(C(=O)C4CCN(c5ccc6nncn6n5)CC4)C3)[nH]c2c1 589695334 MTQFISIEEUINNG-GOSISDBHSA-N 444.543 2.932 0 40 IFAB Cc1ccccc1O[C@@H](C)CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1229012293 IQEDLDMNWWRXQX-INIZCTEOSA-N 444.536 2.645 0 40 IFAB CC(=O)NC[C]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1 1560410116 NIECYDPGAYPRFO-UHFFFAOYSA-N 437.455 2.525 0 40 IFAB COc1nccnc1N(C)CC1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1888906630 TUYPBTOGEAOMOV-UHFFFAOYSA-N 447.586 2.851 0 40 IFAB COc1ccc(CCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1OC 794826 KGAXUXYWPCXXJD-UHFFFAOYSA-N 426.494 2.725 0 40 IFAB CNC(=S)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 2746930 CYBRUUUSUZRRMD-OAHLLOKOSA-N 431.901 2.707 0 40 IFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O 3362659 XHPQTFLDSQYFNS-DIFFPNOSSA-N 441.269 2.730 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N[C@@H]1CCSc2ccccc21 9254381 BQEUFCNXFHMAAN-MRXNPFEDSA-N 438.596 2.665 0 40 IFAB CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc23)cc1 9379009 QZBJZKPNZBTNRE-FXAWDEMLSA-N 425.554 2.917 0 40 IFAB O=C(CSc1nnnn1Cc1cccs1)Nc1cc(Cl)ccc1-n1cncn1 9764352 DKLDVPLWGYTATA-UHFFFAOYSA-N 432.922 2.748 0 40 IFAB COc1ccc([C@H]2CCCCCN2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 9789205 SQTKFTOKFRMNTM-JOCHJYFZSA-N 445.585 2.619 0 40 IFAB O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 9867620 JZZPNAVITFEQAO-UHFFFAOYSA-N 447.582 2.794 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)CC1 10541957 SOMGDGCMZRDTDP-UHFFFAOYSA-N 448.516 2.741 0 40 IFAB CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(F)c(Cl)c3)=C2)c(C)n1 12155625 SIMSIYDAQKUMIL-UHFFFAOYSA-N 425.873 2.506 0 40 IFAB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1I 12495528 KMRJKSOHGADJRE-UHFFFAOYSA-N 425.251 2.517 0 40 IFAB O=C(NCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12783645 OJGIKMSPTBINKE-UHFFFAOYSA-N 425.913 2.738 0 40 IFAB Cn1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(-c2ccc3c(c2)OCCCO3)n1 12798874 UOECQZQPRWDCFH-UHFFFAOYSA-N 427.482 2.904 0 40 IFAB O=C1NC(=O)[C@H](CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)S1 14066408 IYZACZJBSKMVQS-SFHVURJKSA-N 445.491 2.940 0 40 IFAB NC(=O)N[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 14246267 OBUKPWMYXHYITL-OAHLLOKOSA-N 441.841 2.812 0 40 IFAB O=C(CSc1nnc2ccc(-c3cccs3)nn12)NCc1ccc2c(c1)OCO2 15881724 CDQWJVMQZCQVMY-UHFFFAOYSA-N 425.495 2.990 0 40 IFAB CCOC(=O)C1=C(COC(=O)/C(=C/c2cccc(OC)c2)c2ccccc2)NC(=O)NC1 18274280 BNEGZANCGMXFIP-CPNJWEJPSA-N 436.464 2.909 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1OC 18530692 FJFFCEHGJNWNMC-CQSZACIVSA-N 427.432 2.890 0 40 IFAB CCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527681 VUIWKZKSOBFEJR-FQEVSTJZSA-N 447.539 2.503 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19580091 FHOPQEAIWOIWTL-HSZRJFAPSA-N 436.537 2.662 0 40 IFAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)Cc4csc(C)n4)C3)[nH]c2C(N)=O)cc1 19698887 WHKYFCVKGCKBBW-OAHLLOKOSA-N 439.541 2.898 0 40 IFAB CCS(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)C1 19738922 PTYAHDNVLRGTCE-INIZCTEOSA-N 432.521 2.543 0 40 IFAB C[C@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1)c1nc2ccccc2[nH]1 19749224 MRNVLHSSEJUNJI-INIZCTEOSA-N 441.491 2.805 0 40 IFAB Cc1cccn2cc(C(=O)N3CC[C@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12 19761825 DTJXPICEGGBMPK-KRWDZBQOSA-N 443.507 2.543 0 40 IFAB COc1cc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc(OC)c1OC 19889278 LPTXRTJPWFIAQL-UHFFFAOYSA-N 430.501 2.688 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 21896645 WMCQFYHXUQRGLY-UHFFFAOYSA-N 436.555 2.724 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 22058307 COROOYFPXSPNBH-IHPCNDPISA-N 432.561 2.862 0 40 IFAB in-vitro O=C(NCc1ccc(NC(=O)C2CC2)cc1)NC[C@@H](c1cccs1)N1CCOCC1 22357829 FXRTZSAMZRGLRZ-IBGZPJMESA-N 428.558 2.969 0 40 IFAB CC(=O)c1ccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)c(F)c1 22977228 YFZDYBRAJBQAER-UHFFFAOYSA-N 439.539 2.740 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 27377654 XQLRWVYOBCZNMI-UHFFFAOYSA-N 437.949 2.985 0 40 IFAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)n(N)c2=O)cc1 27546174 KGJXMFRDJQDPPE-UHFFFAOYSA-N 447.467 2.584 0 40 IFAB COC(=O)c1sccc1NC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C 29356454 RFLLICXVCVFWLB-AWEZNQCLSA-N 446.510 2.907 0 40 IFAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 30012135 CLSZQOWBGQZWNZ-UHFFFAOYSA-N 446.548 2.926 0 40 IFAB CCOc1ccc(CCNS(=O)(=O)c2ccc([C@@H]3CNC(=O)C3)cc2)cc1OCC 30836031 CZQMZNKVQWBIJA-SFHVURJKSA-N 432.542 2.609 0 40 IFAB CCN(C(=O)CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 33589526 CGXMJYICEXVMJR-JXEIYGLSSA-N 448.566 2.705 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 36385119 ORDDIFWLMWNEDG-IBGZPJMESA-N 429.586 2.650 0 40 IFAB Cc1oc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N1CCCC1 48285844 TYQIPCVYQZZHQP-CYBMUJFWSA-N 431.514 2.748 0 40 IFAB Cc1cc(C(=O)NCC(=O)N(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C)o1 72311707 FUWDICNMEIVREB-HNNXBMFYSA-N 428.407 2.543 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cncc(Nc2cnccn2)n1 72376355 WSYCVZZJEJXDQA-MRXNPFEDSA-N 426.502 2.853 0 40 IFAB CCC[C@H]1CN(CC(=O)NCc2cccs2)CCN1CC(=O)NCc1cccs1 79058965 QOHVTFLMWBRZAP-KRWDZBQOSA-N 434.631 2.529 0 40 IFAB CNS(=O)(=O)c1ccccc1N1CCN(CCOc2ccc3ccccc3c2)CC1 83884185 PZDLDFOEEYKGNK-UHFFFAOYSA-N 425.554 2.949 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)C1 100180241 WZKRWHFOROLCRA-DIVOYQCNSA-N 426.513 2.743 0 40 IFAB CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101125888 IBNDXLOODJGBRG-HKUYNNGSSA-N 441.871 2.954 0 40 IFAB COc1ccc(CCCNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 222584047 USPZLURBVCJGIW-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1 223188596 MGOGOXUOPFWLIW-UHFFFAOYSA-N 435.506 2.596 0 40 IFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 224998350 WVYXYPXLCNWNGU-UHFFFAOYSA-N 435.521 2.847 0 40 IFAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225001208 GTBFRHRKFRZCJF-IZZBFERCSA-N 439.556 2.660 0 40 IFAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 225464585 WOVIJVPCAQDJQL-KRWDZBQOSA-N 449.548 2.534 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Oc1ccccc1C(=O)Oc1ccccc1 226517077 QJUQTUHYQBIKIC-TWZOJAIGSA-N 443.455 2.864 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CC[C@H](c2ccc(C(N)=O)c(C)n2)CC1 257270609 MUXDGBPJXRMROF-QAQDUYKDSA-N 443.569 2.986 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 260796124 VQUACFGLFLHQJL-CQSZACIVSA-N 426.922 2.698 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 408644163 DODVOPOZUIKXSP-OAHLLOKOSA-N 444.871 2.970 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408651979 BYJUORLKRNTAJW-OWWRBYITSA-N 437.279 2.671 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 409343226 DCGDHTVQISCIPG-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB Clc1cccc(-c2n[nH]cc2CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 536663297 CNXODLBJNHNHRH-UHFFFAOYSA-N 439.951 2.679 0 40 IFAB Cc1ccn2c(NC(=O)c3cccc(C(=O)Nc4nnc5cc(C)ccn45)c3)nnc2c1 539370620 PPHSFCHIKSHZDN-UHFFFAOYSA-N 426.440 2.893 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)c1 585107180 QSLKWQIHAFTOPV-BVAGGSTKSA-N 435.568 2.702 0 40 IFAB Cc1noc(C)c1CCC(=O)N1CCN(c2nc(O)c(F)c(-c3ccccc3)n2)CC1 1888919419 GOYWUXPIZNWMEY-UHFFFAOYSA-N 425.464 2.875 0 40 IFAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1OC 1167520 SAKMJRLYVPELEG-FCEWJHQRSA-N 442.365 2.947 0 40 IFAB COc1ccccc1CNC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3528870 GRXYNOSZRMNHSA-UHFFFAOYSA-N 435.480 2.605 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1C 3542529 KAGIFFKITHLTPH-UHFFFAOYSA-N 448.273 2.936 0 40 IFAB COc1ccc(N(C[C@@H](O)Cn2nnc3ccccc32)S(=O)(=O)c2ccccc2)cc1 6184236 UOYZEWXMTAQPCE-SFHVURJKSA-N 438.509 2.696 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8269566 BWJVBODOTWUTSO-OAHLLOKOSA-N 425.485 2.835 0 40 IFAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)CC1)c1ccc(F)cc1 9203703 RGEOKAQTMSWIIU-YZOGRGCUSA-N 425.456 2.918 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2CCc3ccccc32)cc1 9335168 SPXXOLZWDKTVOV-SDNWHVSQSA-N 442.537 2.863 0 40 IFAB Cc1ccccc1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9341629 ICKYGUKORUPTNZ-UHFFFAOYSA-N 447.532 2.680 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C 9562650 NMVZARHTEHXYOL-QZTJIDSGSA-N 449.573 2.529 0 40 IFAB COc1cccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 9575891 BUDBUPIYSCCWNA-UHFFFAOYSA-N 449.511 2.673 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccccc1OC 9761794 DNWMNGUIBXYJSO-UHFFFAOYSA-N 441.415 2.574 0 40 IFAB Cc1nc(SCC(=O)N(CC(C)C)CC(C)C)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525466 TVWBCKZPLOCZPC-UHFFFAOYSA-N 449.621 2.687 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321642 WRNXALJYPZFASR-UGKGYDQZSA-N 433.508 2.921 0 40 IFAB COc1cccc(-c2nc(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)c1 12322875 HAHBZEDTEKOCKE-UHFFFAOYSA-N 431.539 2.747 0 40 IFAB NC(=O)CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)NC1CCCC1 12532982 HRLYXHRYHHMADQ-UHFFFAOYSA-N 426.542 2.987 0 40 IFAB COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1OC(F)F 13129627 NRMSEKYUNKISHP-UHFFFAOYSA-N 440.424 2.741 0 40 IFAB CCn1nnc2c(N3CCN(C(=O)Cc4ccc(-c5ccccc5)cc4)CC3)ncnc21 13533382 VKFWBAHSRSHCLN-UHFFFAOYSA-N 427.512 2.800 0 40 IFAB O=C1Nc2ccc(Br)cc2[C@H]1Cc1nc2ccccc2c(=O)n1CCCO 13607937 YFGOUXAVVUCHTP-OAHLLOKOSA-N 428.286 2.820 0 40 IFAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 14093532 LUWCHGOZSNIPJR-DOTOQJQBSA-N 432.484 2.850 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl 14200091 AXLJZKWWRQCNKO-NSHDSACASA-N 433.313 2.974 0 40 IFAB Cc1noc(N)c1C(=O)OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 16327007 CEXSGVHIGRDVPC-UHFFFAOYSA-N 429.454 2.788 0 40 IFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 17149022 GNZZPXHTSBQQHY-UHFFFAOYSA-N 426.835 2.740 0 40 IFAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1 17191051 WFFFUTBKWFTOEN-IBGZPJMESA-N 446.525 2.835 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 19449051 XAFSMKHRVVTISY-YADARESESA-N 439.581 2.980 0 40 IFAB CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)CC)C2 19499135 KOHZZYLRQOVQRY-LJQANCHMSA-N 438.528 2.831 0 40 IFAB CN1C[C@H](C(=O)N2CCc3nc(-c4ccncc4)nc(Nc4cccc(F)c4)c3C2)CC1=O 19587337 JVHFDXOVQXQUBY-MRXNPFEDSA-N 446.486 2.784 0 40 IFAB NC(=O)c1cccc(-c2ccc([C@H]3CN(C(=O)CN4Cc5ccccc5C4)CCO3)nc2)c1 19692461 ILAGTHOXNNFOKI-XMMPIXPASA-N 442.519 2.763 0 40 IFAB CNc1nc(C2CCN(C(=O)c3ccc(COC)cc3)CC2)nc2c1CN(C(C)=O)CC2 19711412 GUTUTHRPSISGDB-UHFFFAOYSA-N 437.544 2.589 0 40 IFAB COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 19757722 KLBZBKFSXGXHSJ-QGZVFWFLSA-N 438.528 2.597 0 40 IFAB CCn1c(CN2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)nc2ccccc21 19765951 DFBOWBCXDRTEAT-UHFFFAOYSA-N 448.571 2.885 0 40 IFAB CSCC[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20519193 TYLRUVIEZBZHEU-PTDBIEIZSA-N 433.961 2.756 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 21705632 GKZLOBYFIZQDBQ-LJQANCHMSA-N 431.510 2.994 0 40 IFAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 23223058 FTTWDTOGSFPQSP-LLVKDONJSA-N 428.557 2.984 0 40 IFAB O=C(Cc1cn2ccsc2n1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 29830685 JVBYHABEYZWGHV-UHFFFAOYSA-N 442.932 2.986 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 30947688 GRGAPWKQGOVPRF-UHFFFAOYSA-N 433.505 2.567 0 40 IFAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c(OC)c1 31811030 VHJDNHKLZNPQHL-KRWDZBQOSA-N 437.485 2.639 0 40 IFAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36107565 CUYLCQSGTRDVDH-OAHLLOKOSA-N 437.949 2.682 0 40 IFAB COc1cc(CCC2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc(OC)c1 40039963 UCIKUWQTZDZGMB-IRXDYDNUSA-N 426.579 2.702 0 40 IFAB COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 45541047 YIJCWIXJQFJZMD-IBGZPJMESA-N 448.523 2.771 0 40 IFAB Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)Nc4ccccc4)c(=O)n3n2)n1 62639793 PZCDPSACBAQCMY-UHFFFAOYSA-N 441.495 2.739 0 40 IFAB COc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c(OC)c1 71328274 OIKRJLPDAXDFRZ-UHFFFAOYSA-N 435.440 2.719 0 40 IFAB Cc1nc(C2CCN(C(=O)[C@@H](C)N3CCCC3)CC2)nc2c1CCC(=O)N2CC1CC1 72371153 HNNZBHCKUMGUGN-QGZVFWFLSA-N 425.577 2.665 0 40 IFAB O=C(CCNC(=O)c1ccc2ccccc2c1)NCC1CCN(C(=O)C(F)(F)F)CC1 78972231 CFJJXXZDMFZZHO-UHFFFAOYSA-N 435.446 2.877 0 40 IFAB COC(=O)CCN(C[C@H]1CCCO1)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12 84065473 PBHWITBDLLURHI-QGZVFWFLSA-N 448.589 2.689 0 40 IFAB COc1ccc(C(=O)CNC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1 85878523 RTBCOUGUSUCLAZ-UHFFFAOYSA-N 425.437 2.669 0 40 IFAB biogenic O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 89878922 UCESOWYGAHUVNG-INIZCTEOSA-N 446.429 2.872 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1C 138667850 BMOQTEUWDBRASP-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 223290377 FPKARSCPTNRBHY-SQNIBIBYSA-N 437.323 2.993 0 40 IFAB COc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224276309 JPPAWUFDYQVSDY-AWNIVKPZSA-N 430.526 2.688 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)CC1 224290592 JVOLPZCGRFQHSO-UHFFFAOYSA-N 445.541 2.734 0 40 IFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)Oc2ccccc21 224456469 LVKATRWHXWFDNN-KRWDZBQOSA-N 428.432 2.939 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O 225208537 VOUCETBGHLFKFU-LJQANCHMSA-N 445.585 2.705 0 40 IFAB Cc1cccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)n2)c1 225551416 OFIHIJCIHSVAQA-UHFFFAOYSA-N 438.509 2.823 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2sccc2C)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 245229821 GOVUQBBUCNXHLN-TXXWUTRGSA-N 428.510 2.837 0 40 IFAB Cc1cc(C(=O)N2CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC2)n[nH]1 643572062 ZUYMOIYKWUERIZ-UHFFFAOYSA-N 440.544 2.950 0 40 IFAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1 1772594435 WLUQCGWYJKFCAY-QRWLVFNGSA-N 437.537 2.582 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888906339 LLDHZNMZIQWMNH-ZIAGYGMSSA-N 432.402 2.603 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 728854 MJWRRXDSLOSKDR-CNSVBDKNSA-N 434.517 2.725 0 40 IFAB COC(=O)CSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1ccccc1OC 2724025 NNQMVUBTBZQVIO-UHFFFAOYSA-N 430.461 2.610 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccc(C(C)=O)cc2OC)c1C 3279817 IFXOTJDSHFLMJS-UHFFFAOYSA-N 431.441 2.824 0 40 IFAB CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 3490526 NXLLPEAIAUBRCO-UHFFFAOYSA-N 432.889 2.595 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cccs1 8454207 UYQOSASERNJBGQ-GTENMVSRSA-N 441.578 2.815 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 9167951 APROFPFSNCZRBP-UHFFFAOYSA-N 441.509 2.621 0 40 IFAB Cc1cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccccc2Cl)[nH]n1 9405127 NLNKOZDRRIKVOZ-UHFFFAOYSA-N 441.904 2.651 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 9613800 GSASRNUJZUAXRQ-HSZRJFAPSA-N 436.468 2.607 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 9701381 XICVJMFGKYGXLV-UHFFFAOYSA-N 444.469 2.748 0 40 IFAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 9962369 HDMBQXYIQLKLKW-AWEZNQCLSA-N 447.513 2.516 0 40 IFAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@@H]2c2ccc(OCC)cc2)cc1 10232139 FMOMUVVTSQFJPB-HXUWFJFHSA-N 449.467 2.795 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 12548435 VWSPPNHFEBFBJQ-UHFFFAOYSA-N 439.540 2.782 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1OC 12896714 ISCALTPWPVMYCF-UHFFFAOYSA-N 433.555 2.820 0 40 IFAB COc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 13164597 TXDIAJDUEDWBLF-FNORWQNLSA-N 426.947 2.956 0 40 IFAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)NC3CCCC3)c2cc1OC)CCS4 13568151 JEBHSRFEJGRIQS-UHFFFAOYSA-N 428.514 2.533 0 40 IFAB COc1ccccc1N1CCN(c2nc(CSc3nnc(C)s3)cc(=O)[nH]2)CC1 13611386 SFPAZMXLJNEUMZ-UHFFFAOYSA-N 430.559 2.557 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 15419375 SMERSTMNEIDCGC-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB O=C(Cn1ccnc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccncc1 19336194 OYDZLFSQKISDHT-FKBYEOEOSA-N 433.487 2.574 0 40 IFAB CC(=O)Nc1ccc(OCC(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)cc1C 19570920 SAUBDXQLNZGMST-GOSISDBHSA-N 434.496 2.975 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19756227 PUGVZJUNHDSURD-HXUWFJFHSA-N 444.557 2.946 0 40 IFAB O=C(NC1CCCC1)c1cncnc1CC1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 19756966 NOXHQBAYXBGRBI-UHFFFAOYSA-N 436.560 2.846 0 40 IFAB COCCC(=O)N1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759482 GHWKNXCPPMLPCJ-GOSISDBHSA-N 426.498 2.880 0 40 IFAB CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005633 FMVRPCLSZDNRIX-LJQANCHMSA-N 434.558 2.900 0 40 IFAB CCOC(=O)[C@@](NCc1ccccc1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F 20609083 ACWAYFMZDLIQJO-GOSISDBHSA-N 430.448 2.885 0 40 IFAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC([C@@H](O)c2ccccc2)CC1 23385217 PZFGTYBMYTWYIS-DEOSSOPVSA-N 433.508 2.908 0 40 IFAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 25047472 CYBXZHWEESUWPK-QGZVFWFLSA-N 433.549 2.616 0 40 IFAB O=C(CSc1nnc(-c2cccs2)o1)NC[C@@H]1CN(Cc2ccccc2)CCO1 25777038 AVMMEXNHMBAVLD-MRXNPFEDSA-N 430.555 2.907 0 40 IFAB O=S(=O)(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 28051546 HKTQZSCVUSFDPK-UHFFFAOYSA-N 442.868 2.616 0 40 IFAB COc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(OC)c1 30750892 CGDPKKOXUOIGMV-QGZVFWFLSA-N 426.878 2.523 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2)C1 32104381 YCTZEKFNDIUCCK-DENIHFKCSA-N 428.492 2.801 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)c1 33047628 AKZHMDVMOUVHLK-UHFFFAOYSA-N 442.990 2.960 0 40 IFAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OCC 37458140 BHJAGHPBQBNVMX-HOTGVXAUSA-N 427.567 2.577 0 40 IFAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 38592023 PAXDQSSHCRLPDJ-UHFFFAOYSA-N 428.554 2.949 0 40 IFAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 39747373 SGPQHJKKPABIDR-UHFFFAOYSA-N 445.560 2.571 0 40 IFAB CCOc1cccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 44884276 XLMBQDKVASHIDI-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB O=S(=O)(c1ccc2nncn2c1)N(Cc1ccccc1F)c1ccc2c(c1)OCO2 49408380 VAWFTQKKMIZCOC-UHFFFAOYSA-N 426.429 2.993 0 40 IFAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC 57425583 NBBXJUHYBXZQNH-UHFFFAOYSA-N 433.555 2.760 0 40 IFAB COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3n3cnnc23)CC1 64948940 ZZLIBFXABWPQFH-UHFFFAOYSA-N 434.525 2.727 0 40 IFAB COc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 65086438 SJXGXCPEIJLNLX-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB Cc1nc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)sc1C 72326843 ARJIISVEFGDBPB-YEJXKQKISA-N 427.530 2.651 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3c(C)nc4ccccn34)cc2)[C@@H](C(=O)N(C)C)C1 72370198 OCNBFOBZMQVOTI-PKTZIBPZSA-N 447.583 2.925 0 40 IFAB C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 79069332 IECTXGNLHOSSOT-LIRRHRJNSA-N 434.489 2.992 0 40 IFAB COc1cccc(CCNC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2C(=O)c2cccnc2)c1 96265076 DDUOZYTVNLPPIO-QHCPKHFHSA-N 447.539 2.966 0 40 IFAB CCCCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1 100819987 VQZWGVGRCBZHQY-IRXDYDNUSA-N 429.542 2.785 0 40 IFAB CSCC[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102786023 ICJHWPJNBNCYFW-JTDSTZFVSA-N 442.585 2.909 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc2c(c1)OCCO2 222741570 OEHDBEHBFZZEGR-CQSZACIVSA-N 428.510 2.796 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1Cl 223685715 PDXDYJFTYIBGOI-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB O=C(CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1)Nc1ccc(Oc2cccnc2)cc1 257271052 MWPCPSWQFNBXGF-FGZHOGPDSA-N 449.463 2.635 0 40 IFAB Cc1ncccc1O[C@H]1CCN(Cc2cc(C(C)(C)C)ccc2OCC(N)=O)CC[C@@H]1O 257306464 SUIVISCMUBEMHV-REWPJTCUSA-N 441.572 2.956 0 40 IFAB COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 257323097 WITWRSBHMYOGRF-GOSISDBHSA-N 446.573 2.899 0 40 IFAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3cccc(OC)c3)CC2)C1 306134901 OBCCJTDFDQXAPG-UHFFFAOYSA-N 448.527 2.922 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 408653821 AUEKLIQKCVHEDE-RZTYQLBFSA-N 446.459 2.802 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1OC 409060058 RXMVYCFDUDICDJ-WSBKAMHLSA-O 448.474 2.859 0 40 IFAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1OCC(=O)O 409072906 WHQDPCKASJOYEK-PBJWJZLWSA-N 443.861 2.800 0 40 IFAB COC(=O)[C@@]12CCN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]1CN(Cc1ccccc1)C2 2086889300 DWYOHCKEPBLYFZ-NZQKXSOJSA-N 428.554 2.681 0 40 IFAB Cc1c(NC(=O)[C@H](C)OC(=O)COc2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C 2619934 ZVKZEVIMYWJEAV-KRWDZBQOSA-N 449.507 2.922 0 40 IFAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)Nc4ccccc4)CO[C@H]23)cc1 4235818 RFFXIJJQORSJIX-MTQWCTHYSA-N 425.441 2.794 0 40 IFAB biogenic,in-vitro COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCCCCC3)c(=O)[nH]c2c1 6282909 GJAZGBSYZQTJIS-GHTZIAJQSA-N 438.532 2.668 0 40 IFAB COc1ccc(CNC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)c(OC)c1 8790854 QYSSLMBESNBQJJ-UHFFFAOYSA-N 427.453 2.995 0 40 IFAB biogenic CCOC(=O)COc1cc(Br)c(/C=C2/SC(=N)NC2=O)cc1OCC 9288372 ZVEUMFKPPQKJKJ-AWNIVKPZSA-N 429.292 2.928 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCCc3ccccc31)n2C 9378193 QHOCWKZSYSONCB-IBGZPJMESA-N 440.569 2.950 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 9416558 PZKDYCQFYREUOP-UHFFFAOYSA-N 431.452 2.624 0 40 IFAB COc1cccc(-c2ccc3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3n2)c1 9829139 YIDYZNMUTNCZKE-UHFFFAOYSA-N 449.492 2.937 0 40 IFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC(=O)Nc1ccc(C)c(C)c1 10173406 HRCDPTONDPPKBL-UHFFFAOYSA-N 447.561 2.746 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc(Cl)c(N)cc2OC)n1 10550970 VWVFBQBFIYCJHL-UHFFFAOYSA-N 446.847 2.861 0 40 IFAB Cc1nc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)sc1C 12085939 ZEKOATFVYGILTL-ASSNKEHSSA-N 428.514 2.618 0 40 IFAB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(C(=O)Cc2ccsc2)CC1 12133086 KVUZRYPKIJLYIU-UHFFFAOYSA-N 442.566 2.952 0 40 IFAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(Cl)c(Cl)c3)=C2)cnn1C 12155050 YRECADPNXJMNGE-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(Cl)c3Cl)=C2)cnn1C 12155067 FMCGAVSTXLMBBE-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 12551783 YDRUWIGTLFUMRZ-CALCHBBNSA-N 432.542 2.765 0 40 IFAB CCC(=O)N(c1nnc(SCC(=O)Nc2ccccc2S(C)(=O)=O)s1)C1CC1 12582696 QNAKJEDKHIAHMT-UHFFFAOYSA-N 440.572 2.578 0 40 IFAB Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1C 12769498 GWKOSAVJRLXUNG-UHFFFAOYSA-N 442.459 2.633 0 40 IFAB O=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc2nc(N3CCOCC3)sc2c1 12790293 WVIRPWVCOCFHPD-UHFFFAOYSA-N 431.905 2.550 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C 12806976 UPJKHWFYPUEWOT-ZLOXQWCVSA-N 439.468 2.687 0 40 IFAB O=S(=O)(c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1)N1CCc2ccccc2C1 13323881 GBSLNZRHURAEPT-IBGZPJMESA-N 431.583 2.899 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 13400822 VELFLYBNDMTWJG-FSEPTYSPSA-N 448.431 2.591 0 40 IFAB COc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)/C=C/C(=O)O)c3)C2=O)cc1 13576264 OUQVABKODYWBMG-FVNWOWOISA-N 426.450 2.699 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)NC(=O)NCCC1=CCCCC1 14163462 ZWHNSJFQKPBYCP-HXUWFJFHSA-N 447.507 2.840 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 14197346 MJDCBEFWUWPXAO-RUZDIDTESA-N 447.491 2.541 0 40 IFAB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Nc1cccc(C(=O)NC2CC2)c1 14705837 GXNALKAGDOHEHT-NRFANRHFSA-N 438.480 2.932 0 40 IFAB Cn1ncc2c(N3CCN(C(=O)c4ccc(-n5cnc6ccccc65)cc4)CC3)ncnc21 14731272 UFRDUEOICGQXMD-UHFFFAOYSA-N 438.495 2.665 0 40 IFAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 15012328 QRKPVPYMKACGJB-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB CCOc1cc(C(=O)CCC(=O)OCC(=O)Nc2cccc3nsnc23)ccc1O 19077369 ZEHYTDHXJONBML-UHFFFAOYSA-N 429.454 2.940 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N3CCC4(CC3)CC(=O)c3cc(C)ccc3O4)n2)cc1 19213022 BZJAJFVLPJGVPG-UHFFFAOYSA-N 431.496 2.984 0 40 IFAB O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349298 QAEBGLCSMOJLRU-NRFANRHFSA-N 433.487 2.840 0 40 IFAB COc1cc(CN2CCN(Cc3cc(OC)c4c(c3)OCO4)CC2)cc(OC)c1OC 19549963 FBHOKEKNFYGUPE-UHFFFAOYSA-N 430.501 2.768 0 40 IFAB biogenic COc1ccc(NC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccccc4)c32)cc1OC 19561308 KBXZANRCKOOHHH-UHFFFAOYSA-N 446.467 2.530 0 40 IFAB COc1ccc2c(c1)CN(C(=O)CN1CCCC1=O)CC1(CCC(CN(C)C)CC1)O2 19581809 KPKKHROOYDXWNX-UHFFFAOYSA-N 429.561 2.529 0 40 IFAB CCOc1ccccc1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20110717 JUTAGQTWTMHQBH-UHFFFAOYSA-N 446.569 2.610 0 40 IFAB Cc1cn2c(=O)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(C)nc2s1 20921938 QHNWQAHCBSOHHP-UHFFFAOYSA-N 438.962 2.537 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccccc1F 22228760 FONWGMMQSRAWCH-UHFFFAOYSA-N 447.532 2.734 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1C 22229969 BUHPFVNWJBYDDJ-SFHVURJKSA-N 432.498 2.582 0 40 IFAB CCc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 22249305 AYOZEKHKIIOKBD-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 22271278 YJSIBJPQYINHJO-QFIPXVFZSA-N 439.537 2.686 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)C1 22295294 RNFVIONDHHBPMU-OKILXGFUSA-N 430.530 2.718 0 40 IFAB CN(Cc1ccccc1F)C(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22915529 HUBWHTDXPGYBCF-UHFFFAOYSA-N 432.927 2.694 0 40 IFAB CC(C)CC(=O)N1CCN([C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 24928159 OEGALKBGWUMAMW-CQSZACIVSA-N 440.466 2.569 0 40 IFAB Cc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 26831375 VFDLPFUSWHAWQU-UHFFFAOYSA-N 434.468 2.830 0 40 IFAB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc1 30437402 ORRUBTSUGABCNS-UHFFFAOYSA-N 432.318 2.912 0 40 IFAB COCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(OC)c1 32945162 JKGLJHCNDNYFOX-UHFFFAOYSA-N 434.543 2.889 0 40 IFAB CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC 36594908 YQDYWYLIQHDLLL-VIZZQPHQSA-N 430.505 2.672 0 40 IFAB biogenic COc1ccccc1CN(CCO)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 40155962 GSSURXPJZHOVJA-UHFFFAOYSA-N 446.569 2.895 0 40 IFAB Cc1cccc(Cl)c1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O 40478112 IJBHELIRTDPRMG-UHFFFAOYSA-N 444.829 2.915 0 40 IFAB CN(CC1CC1)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 48286423 FJYSGLMNTULLHG-UHFFFAOYSA-N 429.473 2.950 0 40 IFAB COc1ccc(OCCN2CCN(Cc3nc(COc4ccc(F)cc4)no3)CC2)cc1 48331595 WZSUUKAPGMASLM-UHFFFAOYSA-N 442.491 2.993 0 40 IFAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2cccc(Br)c2)no1 49407678 BOMIHOQTWSUJCF-UHFFFAOYSA-N 425.242 2.860 0 40 IFAB O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccc(CN2C(=O)CCC2=O)cc1 58166980 FPIUKBVSBLJWBD-UHFFFAOYSA-N 427.432 2.705 0 40 IFAB CC(C)C(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 58354874 IYVWCOYDMNZMRZ-KRWDZBQOSA-N 431.968 2.527 0 40 IFAB COc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316934 MAISMTIREYOLQO-OAHLLOKOSA-N 439.487 2.779 0 40 IFAB CSc1ccccc1C(=O)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 71004966 QZKGPJDOKZGRNQ-UHFFFAOYSA-N 436.419 2.929 0 40 IFAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3occ(OC)c3OC)CC2)n1 72337237 DWDVFLGQWOFRQL-UHFFFAOYSA-N 430.505 2.506 0 40 IFAB COc1cc(CN2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OCC(N)=O 72353450 JEMRRNQXROOUQP-SFHVURJKSA-N 448.527 2.868 0 40 IFAB CC(=O)N1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)C(C)(C)C1 95460258 YGHAKHFDVQPXHQ-UHFFFAOYSA-N 436.434 2.643 0 40 IFAB CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(C(C)(C)C)cc2)s/c1=C/C(=O)C(C)(C)C 97993960 ZBEOSBPHWHHZFQ-ZXKVDMDYSA-N 442.625 2.958 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCN(C)c2ccccc2)CC1 219251241 UNIVBVSTZSRUHG-UHFFFAOYSA-N 429.586 2.789 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1 219443355 GEUDXRPSRCUCBI-UHFFFAOYSA-N 430.482 2.735 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 220219912 ZRKWKELHRYLZFD-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB COC(=O)c1cn(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c2ccccc12 222582099 HONJPDZFMXRDQF-UHFFFAOYSA-N 446.481 2.552 0 40 IFAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 223604551 LEFGZTQCLJBJDK-UHFFFAOYSA-N 442.497 2.741 0 40 IFAB O=S(=O)(c1ccccc1Br)N1CC(n2cc(COc3ccccc3)nn2)C1 225629573 NKLRHYCFRFUBNV-UHFFFAOYSA-N 449.330 2.865 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 225916074 VWQDPMGUSKWVHI-UHFFFAOYSA-N 439.541 2.854 0 40 IFAB Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@H]2CCCCN2CC(=O)Nc2ccn(C)n2)n1 257208766 BNNMOBNVNCHNTM-GOSISDBHSA-N 449.515 2.575 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)nc2c1CN(C(C)=O)CC2 257318980 VQEQFECPTWZZOM-IBGZPJMESA-N 448.571 2.653 0 40 IFAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)c1 257342428 ZOOQKIGUYKXIEW-KRWDZBQOSA-N 440.544 2.761 0 40 IFAB COc1ccc(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1C 390829659 FTAWFECHNWJUNX-UHFFFAOYSA-N 430.452 2.760 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(OC)cc3)C2)cc1 408560834 QICWTVSXAAWHDN-IBGZPJMESA-N 446.569 2.854 0 40 IFAB CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cc4ccncc4)cc3)ccc21 1068847 BKQMVTFNHBIFCE-UHFFFAOYSA-N 443.550 2.795 0 40 IFAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)c1 2383629 MAQCQBZHQAHILG-UHFFFAOYSA-N 427.486 2.906 0 40 IFAB COC(=O)c1c(N)n(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2nc3ccccc3nc12 3293413 BHJRPRLUQIPGDL-UHFFFAOYSA-N 439.497 2.501 0 40 IFAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 3326814 UITYQRROVRICNT-IBGZPJMESA-N 430.526 2.524 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2C)cc1 3568881 ZIXYZFMMAWGVBS-UHFFFAOYSA-N 442.541 2.959 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2F)s1 8587926 VXRCGGWWIRUVLZ-UHFFFAOYSA-N 436.490 2.910 0 40 IFAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn23)cc1OC 8684496 IUCBALRJJAZKQE-UHFFFAOYSA-N 428.499 2.996 0 40 IFAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 8954931 QLERLNBAJSVRCW-UHFFFAOYSA-N 429.445 2.969 0 40 IFAB CCOC(=O)c1c(NC(=O)CSC(=S)N(CC)CC)sc(C(=O)NC)c1C 9633412 AAXVUHJIGWILPQ-UHFFFAOYSA-N 431.605 2.891 0 40 IFAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 9660582 UAILVAVORWBSMQ-UHFFFAOYSA-N 430.464 2.562 0 40 IFAB CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9662620 RNVYWQSYXPMKRF-GOSISDBHSA-N 442.566 2.672 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C)c1 9807440 LUKGWCPDFZAQII-SFHVURJKSA-N 429.542 2.520 0 40 IFAB COc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc(Cl)c1OCC(N)=O 9809760 LBQWRFBVEUTYPO-AWEZNQCLSA-N 445.903 2.704 0 40 IFAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 9884262 OSASQRIDCHXHTP-HOYKHHGWSA-N 435.480 2.718 0 40 IFAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCN(c4ncccn4)CC3)nc2C1 10157313 DZDACDZYELSXJG-KRWDZBQOSA-N 430.512 2.823 0 40 IFAB COc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)cc1 10186849 LUIPURLWYAEJPG-UHFFFAOYSA-N 448.526 2.846 0 40 IFAB CSC[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)O 11865493 VBSMQFULBREILW-CYBMUJFWSA-N 435.498 2.516 0 40 IFAB biogenic CCOc1ccccc1Oc1coc2cc(OCC(=O)N[C@@H](C)C(=O)O)ccc2c1=O 12296719 AZOKUFCNSDLVIF-ZDUSSCGKSA-N 427.409 2.952 0 40 IFAB biogenic CCOC(=O)C1=C(COC(=O)c2cc(C3CC3)nn2-c2ccccc2)NC(=O)N[C@@H]1CC 12746885 APNNVTFNDPJJBL-MRXNPFEDSA-N 438.484 2.815 0 40 IFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 13986244 ZZINBQBTWHZPHZ-UHFFFAOYSA-N 434.477 2.860 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022264 QKWYHISIVFQWLP-MFCZKXCZSA-N 434.334 2.626 0 40 IFAB COc1cccc(C(=O)N2CCCC[C@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)=O)CC4)c1 19017959 WHYXEXCECTWXJL-NRFANRHFSA-N 449.511 2.716 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)Cn2cncn2)C1 19449301 SFTOFMGJCFQFNE-VWLOTQADSA-N 431.540 2.931 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)c2N)cc1 19454897 CKRSWABGMOHEPC-INIZCTEOSA-N 436.516 2.976 0 40 IFAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C[C@@H](C)c2ccccc2)CC1 19552832 DXKOZARTJXTJCW-GOSISDBHSA-N 437.569 2.957 0 40 IFAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(Cc2cccc(F)c2F)CC1 19552908 NPDYGQGRNHLFTO-UHFFFAOYSA-N 445.495 2.632 0 40 IFAB COc1ccccc1C(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(N)=O)C1 19568839 AHPZUKFDTLGZDE-VWLOTQADSA-N 431.492 2.696 0 40 IFAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cn2nnc3ccccc32)C1 19702203 VMKQFRIYWVBQGA-AWEZNQCLSA-N 434.525 2.759 0 40 IFAB O=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(=O)n(CC(=O)N2CCCCC2)c1 19750817 GWFXZWBCEBMVCM-UHFFFAOYSA-N 426.492 2.852 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 20108710 RCYAMWXWSVYYFG-HXUWFJFHSA-N 449.960 2.524 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 20481713 JYGUTVJPLLRRJR-LBPRGKRZSA-N 428.457 2.625 0 40 IFAB O=C(Cc1ccccc1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 21884424 CCNQUBNPKPELEX-UHFFFAOYSA-N 431.521 2.709 0 40 IFAB Cc1nn(C)cc1CN1CCN(C(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)CC1 22486121 IZGSRAVHWRNHML-UHFFFAOYSA-N 432.878 2.640 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22781223 WSGATWVWZVVSGO-GOSISDBHSA-N 434.540 2.503 0 40 IFAB Cc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)CC2)c(C)c1 24453966 QSQUVKASADMZSR-INIZCTEOSA-N 447.557 2.697 0 40 IFAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 32904892 HJFJYOXEEATAON-UHFFFAOYSA-N 439.493 2.903 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 33326512 FJUOSANGWWBRNN-HNNXBMFYSA-N 426.541 2.846 0 40 IFAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)cc1 40150133 YMNHCJXNPMNYPB-UHFFFAOYSA-N 432.498 2.932 0 40 IFAB Cc1cc(CN2CCC(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c(C)o1 43972861 IXDIROCFVZSBRK-UHFFFAOYSA-N 433.574 2.789 0 40 IFAB CSc1cccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)c1 45970673 CQNSZTUMTKDQTB-UHFFFAOYSA-N 433.584 2.767 0 40 IFAB CCCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O 57427259 YAJZTEXJXCYUON-UHFFFAOYSA-N 444.532 2.513 0 40 IFAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)cc1 57428144 YKNULHBZUCHHOG-UHFFFAOYSA-N 427.526 2.731 0 40 IFAB C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc2c(c1)CC(=O)N2 58156422 GBAMHWZHPWIYFQ-ZDUSSCGKSA-N 433.555 2.908 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1C 107721843 TYZXXVJEOAGNAF-UHFFFAOYSA-N 426.498 2.932 0 40 IFAB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 207999639 BQAODTVBUJGQHU-DNVCBOLYSA-N 436.443 2.854 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccccc4C)no3)ccc21 223618650 IWNKIWDMMRNBEQ-UHFFFAOYSA-N 426.498 2.775 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 223683899 LEMJAAMQEWLSCR-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1)S(C)(=O)=O 223862675 HUGCOGYLRQRHCK-KXBFYZLASA-N 438.571 2.512 0 40 IFAB C[C@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O 224795117 AVFUBZAMTWNBCG-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 225262488 YIJKLISGDYKSME-MOPGFXCFSA-N 432.542 2.804 0 40 IFAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225940069 RWAFIGHIHDNGKN-CALCHBBNSA-N 441.605 2.677 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)CC(C)C)C[C@H]3c3cccnc3)C2=O)cc1 306125857 DDYMTLUFCVRDMS-WIOPSUGQSA-N 437.540 2.860 0 40 IFAB Cc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)s1 306142522 XBROGZWMQVUKDS-QFIPXVFZSA-N 430.574 2.530 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 408657832 PLKDQOVNVXQCGO-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 409027564 FQUYRZZHEWUGIA-UHFFFAOYSA-N 444.553 2.992 0 40 IFAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1C 524734136 AIBIVXJUQAHJCJ-UHFFFAOYSA-N 432.531 2.523 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](c2cc3ccccc3o2)N(C)C)c1 575618742 BYLKSJAYBYEZHI-MRXNPFEDSA-N 432.498 2.809 0 40 IFAB Cn1cc(C(=O)N2CCC[C@@]3(C2)CN(c2ccc(F)cc2)C(=O)CO3)c(C(F)(F)F)n1 2037988403 DUHLHBHQQNVIJG-LJQANCHMSA-N 440.397 2.616 0 40 IFAB CC(C)NC(=O)C1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 819460 UYGDHPWLMAPBIR-FQEVSTJZSA-N 443.931 2.689 0 40 IFAB CCCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 1841715 HJMLXIPJQNYLGM-UHFFFAOYSA-N 444.967 2.984 0 40 IFAB O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 2654476 ZFUWXJURNBJGGU-UHFFFAOYSA-N 443.569 2.628 0 40 IFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1cccc(I)c1 3308914 ONWZFABILAXVCH-UHFFFAOYSA-N 448.216 2.928 0 40 IFAB CC(C)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 4900000 HJNYSZOPKBPHFX-UIFIKXQLSA-N 442.512 2.546 0 40 IFAB Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)c(C)c1 8596861 UZWZHROGTFKFBP-UHFFFAOYSA-N 430.501 2.964 0 40 IFAB COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)ccc1O 8845283 KVLKBRORJHJJEL-FQEVSTJZSA-N 429.860 2.996 0 40 IFAB CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)NC3CCCC3)c3ccccc32)CC1 9519885 QJOIKZHPFQDBIG-UHFFFAOYSA-N 445.585 2.732 0 40 IFAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(OC)cc1 9670835 YVDOCHPZECMHHQ-FQEVSTJZSA-N 436.505 2.736 0 40 IFAB CC(C)[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCCO2 9729119 ZCXUPPLXZULZJN-OAQYLSRUSA-N 444.509 2.506 0 40 IFAB O=C1NC(=S)N/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 9730794 RSZCMQUPJQDSCC-LCYFTJDESA-N 432.508 2.549 0 40 IFAB O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 9882293 WQBOGYSUENTKKG-UHFFFAOYSA-N 431.297 2.844 0 40 IFAB O=C(COC(=O)CSc1nnc(NC2CCCCC2)s1)NC(=O)Cc1ccccc1 9960811 FIIWLNRAXBIPCF-UHFFFAOYSA-N 448.570 2.804 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cn2c(=O)cnc3ccccc32)c1C 10214492 QDABUQFNUWALLS-LJQANCHMSA-N 448.523 2.660 0 40 IFAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc2c(c1)OCCO2 10239934 KFFMEHVXKJQUQB-UHFFFAOYSA-N 426.469 2.800 0 40 IFAB COc1ccccc1C(=O)N1CCN(c2nc3ccc(S(C)(=O)=O)cc3s2)CC1 10337296 IOWKVYMLAQJBHO-UHFFFAOYSA-N 431.539 2.671 0 40 IFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(Br)c1 10833993 VBJAHEBXTBTRCU-AWEZNQCLSA-N 441.347 2.978 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1nccs1 11726724 BGSNSHAAPBFHAE-UHFFFAOYSA-N 427.870 2.979 0 40 IFAB COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)cc1OC 12006402 CHGCQOPGFXELDR-UHFFFAOYSA-N 435.440 2.722 0 40 IFAB C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CC(=O)c4ccccc4)c(=O)n3C)n2C1 12289053 SXTMUBYTCCVSBW-INIZCTEOSA-N 435.528 2.568 0 40 IFAB COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 12342361 ZMQDFPRGLFCTKT-QFIPXVFZSA-N 433.508 2.820 0 40 IFAB CN(C)c1nc2ccc(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2s1 12488825 IVVPZDKFYNPAGW-UHFFFAOYSA-N 447.538 2.602 0 40 IFAB COc1cccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c2nccn2C)c1 12548112 CLIVEUFCASSSBL-KRWDZBQOSA-N 435.452 2.944 0 40 IFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12556859 YRQBDINXNXXLGD-UHFFFAOYSA-N 432.452 2.502 0 40 IFAB Cn1c(CCC(=O)Nc2cccnc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12578699 FMKOUQNGQDLHAJ-UHFFFAOYSA-N 427.530 2.714 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1ccc(Br)o1 13005013 RNRKFCYTUKWEOX-UHFFFAOYSA-N 444.232 2.537 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(Br)c1 13021932 UKSUUIRIAMZITE-MRXNPFEDSA-N 440.363 2.894 0 40 IFAB CCCCn1c(N)c(N(CC(C)C)C(=O)COc2cc(C)ccc2Cl)c(=O)[nH]c1=O 13137731 JMZNKPUPBKIVFD-UHFFFAOYSA-N 436.940 2.949 0 40 IFAB COc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 13150896 DIXMDGZTLPNOCY-REWPJTCUSA-N 434.544 2.772 0 40 IFAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 13598317 YYVHBIPISTYJOM-UHFFFAOYSA-N 434.521 2.583 0 40 IFAB Cc1cccc(CSCCNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 14397704 HPITZCZOPCSKDH-UHFFFAOYSA-N 436.599 2.815 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(NC(C)=O)c2)cc1Cl 16321527 FJRHGUJOEZMKBV-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB CCn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 16839146 SEOOOHYIPQCKEA-UHFFFAOYSA-N 442.523 2.512 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccs3)[nH]c(=O)c2C1 19239477 CURRWMOXUGIHIO-SFHVURJKSA-N 449.536 2.711 0 40 IFAB O=C(C[C@H]1CCS(=O)(=O)C1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19340495 KJRAWPHTJKMXQK-MRXNPFEDSA-N 442.516 2.692 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3NS(C)(=O)=O)C2)nc2c1CCCN2C 19707005 ZCQKZIHRTGTRKA-MRXNPFEDSA-N 443.573 2.559 0 40 IFAB COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(OC)c(OC)c1 22390298 KXTLGDOIALVTTI-HOTGVXAUSA-N 430.432 2.689 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22516430 YJPYFGUMIDEDAE-NRFANRHFSA-N 430.570 2.986 0 40 IFAB O=C(NC[C@H]1CCCO1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 27663166 LZEWWTLTXUSBSU-DYVFJYSZSA-N 428.510 2.924 0 40 IFAB O=C(NCc1ccc(Cn2ccnc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 30220861 SNWHMLVWNDJLJB-UHFFFAOYSA-N 444.582 2.710 0 40 IFAB CCOc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 30862898 VUVOSSUNVWLDGK-GOSISDBHSA-N 432.542 2.811 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3CCCC3=O)c2)cc1 33023733 ILAOCYQTPKHGAL-UHFFFAOYSA-N 445.541 2.547 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(C)C)c([N+](=O)[O-])c3)C2=O)o1 35352713 PQJOSOMVVVSIMX-ZSOIEALJSA-N 429.385 2.855 0 40 IFAB CC(=O)c1ccc(OCCCC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 36384812 HSZCJAMPDNCORT-UHFFFAOYSA-N 441.503 2.970 0 40 IFAB COc1cccc(C(=O)NC2CCN(C(=O)c3nc(N4CCCC4)ncc3Cl)CC2)c1 40142115 HAFULUMGSNAATD-UHFFFAOYSA-N 443.935 2.773 0 40 IFAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21 57428181 XWUAQQWMASFCLS-UHFFFAOYSA-N 449.488 2.949 0 40 IFAB Cc1cc(C)n2cc(CN(CCn3cccn3)Cc3cn4c(C)cc(C)nc4n3)nc2n1 71921865 KTSGUTFMOQWETN-UHFFFAOYSA-N 429.532 2.905 0 40 IFAB COc1ccccc1Cc1cccc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72350350 BDBCMKJUYVXISL-SFHVURJKSA-N 426.542 2.983 0 40 IFAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 72394230 AZADVYVITDUELL-AWEZNQCLSA-N 436.917 2.816 0 40 IFAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 77104327 DOFIQPLQXQTQSH-UHFFFAOYSA-N 440.569 2.809 0 40 IFAB COc1ccc(CCN2C[C@H]3CCN(C(=O)c4ccccc4)CC[C@H]3S2(=O)=O)cc1 96145508 BWSFKVYIMXNKLP-IFMALSPDSA-N 428.554 2.804 0 40 IFAB O=C(c1ccncc1)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)C3[C@H]4CCCC[C@H]34)nc2C1 100238737 UGDAXLDIUINBEU-ZWOKBUDYSA-N 447.539 2.875 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 101416173 VBCCOOXRTMXSFS-ROUUACIJSA-N 427.848 2.671 0 40 IFAB O=c1[nH]c2nc(NCCc3ccc(Cl)cc3)ncc2c(=O)n1-c1ccc2c(c1)OCO2 102911991 LZYBDCOCBAAEPW-UHFFFAOYSA-N 437.843 2.506 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1cccc(C)c1)S(C)(=O)=O 220511220 UWWQDIYEKYWVKG-FQEVSTJZSA-N 447.557 2.555 0 40 IFAB Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 222905459 VKIQTPMEMKXDGU-UHFFFAOYSA-N 431.558 2.781 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 223060344 VZOBOFMBYJJCIA-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 223712947 UGQYCUKRLOVBKD-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 224729995 UMXRJTBYOYLJOM-UHFFFAOYSA-N 428.260 2.546 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1C 225495819 ICBOYXDPBIGGSG-UHFFFAOYSA-N 446.525 2.830 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 245237676 QJWQBNBLMGDWSK-QLFBSQMISA-N 434.027 2.649 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 408635600 FRLMLBMHIJCQPH-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB CN(C)CCOc1ccc(CN2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1 585273034 QIDFFBCPQNGVSZ-QHCPKHFHSA-N 434.964 2.923 0 40 IFAB O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]12)NCc1ccccc1 1565552668 RUPNURIXASAOJA-XPNTWCBSSA-N 448.567 2.865 0 40 IFAB CCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 1669640749 WVQYHJXPHYJMTB-UHFFFAOYSA-N 440.440 2.621 0 40 IFAB CN(Cc1ccc(OCc2nccn2C)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 2037916437 BKDYOVDZDFLRHF-HSZRJFAPSA-N 425.508 2.606 0 40 IFAB COc1ccccc1CNC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3577830 MHJYREXRPIIEMR-UHFFFAOYSA-N 444.443 2.969 0 40 IFAB CCOc1cc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O 8438635 XECKZJRXQSHIAF-ISHFTEKXSA-N 436.501 2.734 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc2O1 8726005 CDZLUANRXLYERW-IBGZPJMESA-N 436.537 2.755 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 9005357 PFRDRMPZDPFLTG-NRFANRHFSA-N 446.550 2.892 0 40 IFAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)CSc1nc(O)c(C(C)C)c(=O)[nH]1)CC2 9033513 LHSZFVYRERBVND-LBPRGKRZSA-N 433.530 2.854 0 40 IFAB biogenic C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9053608 LYMFNWDSFYKLDC-HUUCEWRRSA-N 448.570 2.823 0 40 IFAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1-c1ccccc1N 9059528 RNWNSODXQCPOEG-UHFFFAOYSA-N 434.887 2.731 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c1 9262081 AQZTWUKIDXRHJS-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9418368 ZPZUJCWJNOJLCP-QGZVFWFLSA-N 433.574 2.663 0 40 IFAB COC(=O)c1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)cc1 9494072 AWGGNGWDVYAYRO-UHFFFAOYSA-N 446.525 2.633 0 40 IFAB Cc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9614109 IZKDKLQNPBXQBA-UHFFFAOYSA-N 428.554 2.786 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)NCc1ccc(F)cc1 9761857 SJWPITPEAXILPL-UHFFFAOYSA-N 439.443 2.552 0 40 IFAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N1CCOCC1 9799671 RSKJLAZZLKVDSU-QHCPKHFHSA-N 437.496 2.662 0 40 IFAB CCn1cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)c(=O)c2ccc(C)nc21 9940149 PHRRMLSLQMBIJN-UHFFFAOYSA-N 425.441 2.538 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 11914264 WHHZHMOVJRNCTP-AWEZNQCLSA-N 442.331 2.809 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 12321641 WRNXALJYPZFASR-KNQAVFIVSA-N 433.508 2.921 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCCCCC1 12761409 ZLGCCNUHOJPTRG-UHFFFAOYSA-N 434.389 2.702 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12770669 VPYUWGBLKSNABJ-HNNXBMFYSA-N 439.940 2.954 0 40 IFAB COC(=O)c1ccc(OC)c(Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 13533132 XWYDFOPMZDDWPF-UHFFFAOYSA-N 426.450 2.710 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3nccs3)CC2)cc1 13727397 WDPWLCFRBXRGFT-UHFFFAOYSA-N 436.559 2.825 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 13988313 KMBYIGCNRINMLR-LJQANCHMSA-N 427.570 2.669 0 40 IFAB Cc1ccc(C)c(OC[C@@H](O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 15346536 VNMKNJDAFOZNEX-NCSHYYEOSA-N 430.570 2.661 0 40 IFAB O=C(NCCCCCCNC(=O)NC[C@H](O)c1ccccc1)NC[C@@H](O)c1ccccc1 16102331 OIYRMNRLJKXYSD-SZPZYZBQSA-N 442.560 2.612 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)ccc21 16811452 SBXFESYFVAPMQM-AWEZNQCLSA-N 445.475 2.680 0 40 IFAB CC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 16846371 IHNYUCLOPFWDBZ-CQSZACIVSA-N 425.551 2.926 0 40 IFAB CCN1CCN([C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527904 BKFITQUJYDHHFZ-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3snnc3C)CCO2)cc1 19693735 IXMLOLQDNMNFIJ-QGZVFWFLSA-N 440.529 2.592 0 40 IFAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 19701953 PBYOLGAZMNBZDD-OAHLLOKOSA-N 427.501 2.716 0 40 IFAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccnc2N(C)C)C1 19702450 GQPWTSABHUKTFG-MRXNPFEDSA-N 439.585 2.811 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CC[C@@H](c3cc(COc4ccccc4Cl)[nH]n3)C2)n1 19704621 GCRNMTJAMWYSOX-OAHLLOKOSA-N 427.892 2.523 0 40 IFAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)nc2c1CCC(=O)N2Cc1ccccc1F 19739526 XUJCWOAMQJWYFV-UHFFFAOYSA-N 432.521 2.543 0 40 IFAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4ccnn4C)nc32)c1 19744290 DAHYAYWHCZDJHT-LJQANCHMSA-N 446.511 2.594 0 40 IFAB Cc1nc(NC(=O)Cn2cc(C(=O)Nc3cccc(-n4cccn4)c3)ccc2=O)sc1C 19751090 MRIIIOLWGXPFHX-UHFFFAOYSA-N 448.508 2.998 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CCn4nccc4C)C3)nc2C)cc1 19766245 XQLJFBBPBVCKTM-SFHVURJKSA-N 448.527 2.957 0 40 IFAB Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1CCN(Cc2ccccc2)CC1 19793577 LULZEWZRKWZSRD-UHFFFAOYSA-N 432.568 2.991 0 40 IFAB COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC(F)F 22762689 CTTQYWBUKZPXDE-UHFFFAOYSA-N 443.424 2.870 0 40 IFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 23247964 YFRZEKLZARUZIZ-UHFFFAOYSA-N 437.540 2.517 0 40 IFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23317365 IXRFYKALBRLOGD-LJQANCHMSA-N 449.555 2.529 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 24477625 RLHFLWJXBWIYBR-UHFFFAOYSA-N 432.521 2.701 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc2c1CCCC2 26439892 KMFZKCMSGFQIKG-UHFFFAOYSA-N 428.558 2.959 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 28808647 KCPCVZWFHRQWOE-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccccc1Cn1ccnc1 32893100 UEUYZAGEKSYVDQ-UHFFFAOYSA-N 443.433 2.864 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1 40092776 WDKUAVDXBULPCD-UHFFFAOYSA-N 446.554 2.789 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 40145438 MXMFCOCSVXRVKS-UHFFFAOYSA-N 447.435 2.638 0 40 IFAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(F)cc4)ccc32)c1-c1ccccc1 40391318 HNVIWDBLTCRNNH-UHFFFAOYSA-N 444.426 2.776 0 40 IFAB CC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c1 67226244 SNEURXUUBYLFEA-CYBMUJFWSA-N 425.514 2.931 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N[C@H]4CCc5ccccc54)c(=O)n3c(C)n2)cc1 67226647 TYNLSQKYLWWJAM-FQEVSTJZSA-N 429.480 2.679 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CN2CCC3(CC2)C[C@@H]3c2nnc3n2CCCCC3)o1 71890618 CRTZRUNRXMABBK-QGZVFWFLSA-N 433.578 2.618 0 40 IFAB Cc1sc2[nH]c(CCC(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)nc(=O)c2c1C 89565231 PCAPGJSWBKRXGG-ZDUSSCGKSA-N 445.570 2.868 0 40 IFAB CN(C)[C@H](CNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O)c1ccco1 101703296 BTCXJPUSTDQFIT-QGZVFWFLSA-N 428.920 2.570 0 40 IFAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ccccc3O)CC2)C1=O 103292396 YVCUIKLKMQZYIQ-GOSISDBHSA-N 429.904 2.817 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1OC 107686893 GLGIIHIPSPAXOQ-SJLPKXTDSA-N 432.542 2.982 0 40 IFAB CC(=O)N[C@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)c1ccc(Br)cc1 195723458 YETYQIWNDDLANB-GOSISDBHSA-N 442.317 2.914 0 40 IFAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653315 PFCGJQGZGNNHKX-NRFANRHFSA-N 434.558 2.997 0 40 IFAB CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(C(=O)OC)cc3)n2)cc1 223637682 XJLHESOTWBRHMR-UHFFFAOYSA-N 431.470 2.542 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c1 224232251 APRSOCSOXRQACN-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB O=C(NCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 224354628 ZQWJSDCCUDQBQO-UHFFFAOYSA-N 438.496 2.702 0 40 IFAB O=C(Nc1ccc(OC2CSC2)cc1)[C@]12C[C@@H]1CN(Cc1ccccc1)S2(=O)=O 225948386 IKUDWQTTXMQQFJ-IERDGZPVSA-N 430.551 2.724 0 40 IFAB CN([C@H](C(=O)NCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1)S(C)(=O)=O 260801481 ZFGCVRBCIBYUMF-KRWDZBQOSA-N 434.905 2.639 0 40 IFAB COc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 306133231 MGBCMGLUDXOWNN-AOYPEHQESA-N 444.535 2.882 0 40 IFAB CCn1c(CCNC(=O)N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)nc2ccccc21 524823529 AAGKIFXLNCPZOW-BGYRXZFFSA-N 426.609 2.799 0 40 IFAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 585148078 GMQSZYSVJZBXPD-HXUWFJFHSA-N 433.464 2.862 0 40 IFAB COc1ccc2c(c1)CC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C2 680058806 NANRNEIBUXYTFY-MJGOQNOKSA-N 434.583 2.974 0 40 IFAB O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)N[C@H]1CCCN(CCCO)C1 1674281182 MKMISZTUBSOIAX-SFHVURJKSA-N 431.924 2.956 0 40 IFAB O[C@@H](N1CSC(=S)N([C@H](O)C(Cl)(Cl)Cl)C1)C(Cl)(Cl)Cl 1653107 QIUFQDXNQKIFIW-QWWZWVQMSA-N 429.005 2.914 0 40 IFAB O=C1CSC(=O)N1CCN/C=C1\C(=O)N(c2ccc(Cl)cn2)C(=O)c2ccccc21 3339356 PWIJCJMTFMXIPZ-GDNBJRDFSA-N 442.884 2.548 0 40 IFAB COCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccs1 4400851 QPTATLUOHZCVMR-LJQANCHMSA-N 449.598 2.815 0 40 IFAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ccccc1C(=O)NC1CCCC1 8734868 NVBZBZCHIJHAKU-UHFFFAOYSA-N 433.505 2.805 0 40 IFAB CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)[nH]c(=O)n(Cc3ccc(OC)cc3)c2=O)N1 8764234 MUKRCJBRCWHPMC-IVZQSRNASA-N 446.507 2.794 0 40 IFAB biogenic COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@@H]2CS(=O)(=O)C[C@H]21 9061179 HQBOKXDQAJGRPX-CHWSQXEVSA-N 428.885 2.578 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)s1 9263918 QSARQUQLGNMCKF-OAHLLOKOSA-N 445.574 2.833 0 40 IFAB CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1)S(C)(=O)=O 9356028 GAMFIPREYXTGCC-UHFFFAOYSA-N 438.509 2.660 0 40 IFAB COc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1OC 9408881 QDGMPZMXICCCNO-XZDHIHRUSA-N 438.480 2.931 0 40 IFAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1N1CCOCC1 9491245 YKLCAQZKCMMMLA-UHFFFAOYSA-N 428.558 2.754 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cnn(-c2ccccc2)n1 9635339 AYCOFESQWWMBPO-UHFFFAOYSA-N 426.483 2.777 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 9675480 QULHZFYIYZOCNT-QZTJIDSGSA-N 445.838 2.810 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc(F)cc1Cl 11445524 SWEGNRGQGFVSNC-UHFFFAOYSA-N 444.868 2.534 0 40 IFAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 12137104 HNNOMUYTJULWFY-UHFFFAOYSA-N 426.542 2.600 0 40 IFAB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1 12773063 ABAPSNDFSUJOPA-UHFFFAOYSA-N 438.665 2.958 0 40 IFAB O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC1=CCCCC1 12890304 NLTSZVWEHQOUSS-UHFFFAOYSA-N 447.557 2.776 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2ccco2)cc1 12896087 BZQIKIFKRXPKJZ-UHFFFAOYSA-N 427.482 2.511 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 12980600 LVSNORZOJQGVOU-UHFFFAOYSA-N 431.334 2.857 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12981461 NQHRBCMEXFXDDM-AWEZNQCLSA-N 430.455 2.989 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(OC(F)F)cc1 13141484 WPWVKRXNRXHFQK-UHFFFAOYSA-N 442.440 2.570 0 40 IFAB CN1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccccc2Cl)C1=O 13734386 XPTHDGJGUBLSIJ-UHFFFAOYSA-N 437.905 2.568 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)NCc3ccc(Cl)cc3Cl)C2=O)cc1 14201446 PBKMDZGFKCDNAF-UHFFFAOYSA-N 436.251 2.614 0 40 IFAB CCCCN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720703 HQTVMSXNLIRXIB-UHFFFAOYSA-N 428.320 2.924 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 15622337 YFKONVLTYCUDNG-UHFFFAOYSA-N 442.541 2.729 0 40 IFAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1OC 16845650 DEXXIRPMYCHLEG-UHFFFAOYSA-N 434.408 2.755 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21 17363018 CKFJTHYLLZVGPT-UHFFFAOYSA-N 427.570 2.793 0 40 IFAB Cc1c(S(=O)(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cnn1C 19553860 DLQNGVNUWDWFKM-UHFFFAOYSA-N 431.566 2.550 0 40 IFAB COc1ccccc1OCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19571392 HNCIMGZBPDLABG-GRDNDAEWSA-N 439.438 2.892 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCC[C@H]1c1ncc(C(=O)N(C)C)c(C)n1 19756042 WCYIHVDVHFYYHZ-KRWDZBQOSA-N 432.546 2.638 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 19863379 WGAPBHJSAAOQDM-KRWDZBQOSA-N 434.489 2.793 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 20015679 CTZCAIOENUVKLQ-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 21682742 YPMDBSFFFVBHPM-UHFFFAOYSA-N 447.557 2.778 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1OC 22515987 BBGCVWLPMGTSSO-UHFFFAOYSA-N 446.569 2.870 0 40 IFAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)CC1 22610306 XXBCRGULGPUVOX-LBPRGKRZSA-N 433.871 2.863 0 40 IFAB CCOC(=O)N1CCC(NC(=O)Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)CC1 23138481 SYQQSOLBOJMRNQ-UHFFFAOYSA-N 444.557 2.650 0 40 IFAB COc1cc(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc(OC)c1OC 23561135 YTQLOHUVSOYVLJ-HXUWFJFHSA-N 446.519 2.974 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 24992018 VKUCEFRZIPXLET-UHFFFAOYSA-N 431.466 2.886 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n(N)c2=O)cc1 27752238 VOCVXMYLCZDJJH-UHFFFAOYSA-N 439.541 2.608 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 29067736 VHZMRKBOVCRCCD-KBXCAEBGSA-N 436.505 2.873 0 40 IFAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 30693256 YIYMZRRFRQQVLJ-KRWDZBQOSA-N 431.533 2.892 0 40 IFAB CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 30879989 VJYCJOMHMGSEEK-VABKMULXSA-N 442.604 2.505 0 40 IFAB biogenic,in-vitro Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCc1nc3sc(C)c(C)c3c(=O)[nH]1)C2=O 32830099 RDNUBZLOCGMYPS-LLVKDONJSA-N 425.466 2.638 0 40 IFAB O=C(NC[C@H](c1cccs1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 36360527 MLHMOLCMTQFIFO-QGZVFWFLSA-N 432.567 2.815 0 40 IFAB COc1ccc(C(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1OC 39585074 HVLOSDGETWYDOG-UHFFFAOYSA-N 444.484 2.549 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)cc2)cc1 39986129 XPVVZIDAWCWDIL-UHFFFAOYSA-N 434.514 2.911 0 40 IFAB CSc1ncccc1C(=O)N1CCC(CNC(=O)C(=O)Nc2cc(F)ccc2F)CC1 43942741 NUAFOUMNTYLNEQ-UHFFFAOYSA-N 448.495 2.689 0 40 IFAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48235060 IUXAMJGLKHRYMR-HNNXBMFYSA-N 427.471 2.946 0 40 IFAB COC(=O)c1cc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)n2)c[nH]1 48236712 PDQCQFXDIQRCII-ZDUSSCGKSA-N 431.518 2.791 0 40 IFAB Cc1nccn1-c1cc(CNC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccn1 48314793 NATOFZIYOPPXMH-HSALFYBXSA-N 435.528 2.558 0 40 IFAB Cc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@@H](C)C4)nccn3c2=O)cc1Cl 49400286 REMUSAKFEGKXSI-OKILXGFUSA-N 428.924 2.974 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1)Nc1cccc(F)c1 57303423 WCXZEEBGRGGKCR-QFIPXVFZSA-N 441.503 2.780 0 40 IFAB COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCC(O)CC3)c(=O)[nH]c2c1 57594687 FAPMUZPLKRJQOL-NRFANRHFSA-N 438.532 2.575 0 40 IFAB CCN1CCN(c2ccc(N[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 58170349 WWGWTZRJEKKJSU-QFIPXVFZSA-N 435.616 2.973 0 40 IFAB O=c1[nH]nc(SCc2nc(-c3cc(Br)cs3)no2)n1C[C@H]1CCCO1 59832466 BCPJHBSMFSDKAG-SECBINFHSA-N 444.336 2.917 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N[C@H](c2ccc(SC)cc2)C2=C1COC2=O 71326801 CPFLDDFNHOHFDM-HXUWFJFHSA-N 439.493 2.933 0 40 IFAB Cc1cc(C(=O)CN2CC[C@H](N(C)Cc3ccccc3)C2)c(C)n1[C@@H]1CCS(=O)(=O)C1 72308747 JHOHVSDHIQXHKH-FCHUYYIVSA-N 443.613 2.854 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Nc4cc(C)n[nH]4)nc(C)n3)C2)CC1 72360843 IWTZYYJKHXTJES-GOSISDBHSA-N 425.537 2.525 0 40 IFAB COCC1(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 95459625 RYNGZVKIUHXJMG-UHFFFAOYSA-N 434.602 2.851 0 40 IFAB Cc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC(C)(C)C)N(CC(C)C)C(=O)[C@H]13 100431395 SMHKVONVNIZTLM-UDYZQQPESA-N 439.556 2.655 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)s2)cc1 223158516 BYZMDBBDNYOOBO-INIZCTEOSA-N 432.527 2.785 0 40 IFAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(OC)ccc3OC)n2)cc1 223621742 JTTBEIITFITPEI-UHFFFAOYSA-N 433.486 2.973 0 40 IFAB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(Br)cc1 224729121 IYGAENGQQPTASU-UHFFFAOYSA-N 442.287 2.604 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)c(C)c2)cc1 224897195 CUDYCNPXXUXDEO-UHFFFAOYSA-N 441.303 2.996 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl 225039348 DEEYUOOUTCAXFY-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)s2)c1 225812476 PWZVJPVLYHMFRV-UHFFFAOYSA-N 432.483 2.671 0 40 IFAB CCS(=O)(=O)Nc1ccc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 225963832 WZICUVSZDFKCCZ-UHFFFAOYSA-N 431.543 2.755 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CN(C)CC2 257254495 KDHHRUQTEBTURZ-LJQANCHMSA-N 449.599 2.879 0 40 IFAB O=C(C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1Oc1ccc(F)cc1)N1CCCCC1 257341142 ZIZWVQCPRLNJLO-RXVVDRJESA-N 428.508 2.721 0 40 IFAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(Cl)cc1)S(C)(=O)=O 260907959 UYTMBLQCBHLDPB-IRXDYDNUSA-N 438.933 2.841 0 40 IFAB COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260919933 DYCVNAMUAFNMCI-OAHLLOKOSA-N 432.542 2.836 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](c2nc3ccc(-c4cccc(OC)c4OC)cn3n2)C1 306126425 DVEUAQKSYPYKJY-MRXNPFEDSA-N 430.530 2.943 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408660563 ATBQSIYCTXAERW-UHFFFAOYSA-N 425.441 2.748 0 40 IFAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 409061846 JCDJRKYMYPRMSD-BJKOFHAPSA-O 443.527 2.777 0 40 IFAB O=C(c1cncc(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 572864125 UZXDRZQGPJXFMB-NYSUNNPDSA-N 437.540 2.649 0 40 IFAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@H](CNC(=O)/C=C/c1cccs1)OC2 1565556116 NENCAMJVVDNBTM-OAGJVSPASA-N 436.537 2.683 0 40 IFAB O=C(Nc1cccc(Cl)c1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007740 PYGRXIMRDAUZMY-UHFFFAOYSA-N 425.872 2.975 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3428251 YCCYILKGZCAPLZ-NRFANRHFSA-N 429.542 2.705 0 40 IFAB CCCCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCC[C@H]3C2=O)CC1 8399030 DVRNXWWEJYCBOC-QFIPXVFZSA-N 442.604 2.601 0 40 IFAB COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 8886848 BDLWWTCIAOLVEV-ZBFHGGJFSA-N 432.550 2.656 0 40 IFAB CCCCn1c(=O)n(CC(=O)c2cc(C)n(C)c2C)c(=O)c2c1ncn2Cc1ccco1 9156785 PTJYLYIQKOYUIA-UHFFFAOYSA-N 437.500 2.639 0 40 IFAB Cc1csc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 9491937 MRFULMBDTMQWSZ-UHFFFAOYSA-N 427.573 2.512 0 40 IFAB O=C(NCCC1=CCCCC1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9743195 MNUJYYGNNOMQQP-HXUWFJFHSA-N 447.601 2.743 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)NCc1ccc(C)cc1 9761912 DAXLACRAVFIWLO-UHFFFAOYSA-N 435.480 2.721 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(CCc5ccccc5)c(=O)n(C)c4nc23)cc1 9829391 LMSIXEIKSDZLRU-UHFFFAOYSA-N 429.480 2.698 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 10231933 PUCILGJXHABWHJ-INIZCTEOSA-N 440.803 2.560 0 40 IFAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(OC)nc3)c2)cc1 11005429 BMEONVSMMPUOLU-UHFFFAOYSA-N 441.509 2.854 0 40 IFAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 12677371 SHHLARVZSZDRBA-HXUWFJFHSA-N 434.496 2.648 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12738124 LHSRXTILKFLXDE-MRXNPFEDSA-N 439.486 2.914 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 12891481 CRUBHWHWHVOCBA-IBGZPJMESA-N 437.374 3.000 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1Br 12947658 IEIQHFHMYUBKAS-UHFFFAOYSA-N 438.303 2.515 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)n2)cc1 12976060 QJZUCHZQBYYDID-UHFFFAOYSA-N 434.468 2.830 0 40 IFAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)CC1 13566412 TYDBYIQOAXOXEZ-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c(C)c1 13671335 VAWMNAGPNBFTCG-UHFFFAOYSA-N 432.498 2.779 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)CC1 14370070 SUGYHEHJJBMAGR-UHFFFAOYSA-N 441.347 2.997 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2c(C)noc2C)c1 16099237 FKLPTMVELOESIR-UHFFFAOYSA-N 445.563 2.910 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 19085980 YKAZODJALLMSSA-QGZVFWFLSA-N 439.560 2.872 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)n1 19131010 AXGUVJXEHHSGLY-ZDUSSCGKSA-N 435.406 2.821 0 40 IFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4ccc5c(c4)OCO5)nn3cn2)cc1 19574449 ZNEIQJIXZDLDKC-AWEZNQCLSA-N 431.452 2.949 0 40 IFAB O=C(CCCOc1ccccc1F)N1CC[C@H](c2ncccc2C(=O)N2CCOCC2)C1 19707929 ZMIKIQLCFUIWAN-SFHVURJKSA-N 441.503 2.868 0 40 IFAB O=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)Cn3cccn3)CCO2)nc2ccccc12 19762173 WCXHWNGHXDYTQR-LJQANCHMSA-N 448.508 2.740 0 40 IFAB COc1cc(OC)c2cc(C(=O)N3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)n(C)c2c1 19764569 BSHWTHHCDRCFML-KRWDZBQOSA-N 437.500 2.760 0 40 IFAB C[C@@H]1[C@@H](NC(=O)c2cncnc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]12 20467275 WUCHLTJKSMIIEI-ILRDCQBQSA-N 428.577 2.657 0 40 IFAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 21699130 GFOOOHRLNUTDGY-UHFFFAOYSA-N 427.526 2.527 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C 22227869 SWMRFFHLAWYCRH-UHFFFAOYSA-N 440.587 2.601 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)c(OC)c1 22229930 ZYXBYFAVYVMZCH-GOSISDBHSA-N 434.514 2.813 0 40 IFAB Cc1cc(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)n(-c2ccccc2)n1 23303288 FXUUULBNXFSSKN-UHFFFAOYSA-N 431.540 2.872 0 40 IFAB COc1ccc(CN(CC(=O)N2CCCc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 27649022 TZJCONSTHBAAOY-HXUWFJFHSA-N 428.554 2.664 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(c3cc4ccccc4o3)C1=O)OCO2 30345795 SBKINOJKSJJSJZ-QHCPKHFHSA-N 449.419 2.770 0 40 IFAB Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 30496230 SRYKAARNHHZFQX-UHFFFAOYSA-N 429.542 2.998 0 40 IFAB CCOCCCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 35683020 RBPYPXKHTRJZGI-HNNXBMFYSA-N 446.529 2.516 0 40 IFAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)N3CCNC3=O)cc12 36240858 JSGIKNGGLOLISR-UHFFFAOYSA-N 432.889 2.817 0 40 IFAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCC(C)CC1 40113346 XFMXDEDALWGDNP-HXUWFJFHSA-N 448.633 2.912 0 40 IFAB CCCCn1c(N)c(N(C)C(=O)CCOc2cccc(Cl)c2Cl)c(=O)[nH]c1=O 40140518 ANWKXHFHQKEGIN-UHFFFAOYSA-N 429.304 2.658 0 40 IFAB O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)N1CCC2(CC1)OCCO2 49029020 UTSCGMJAKFWGGR-UHFFFAOYSA-N 446.554 2.922 0 40 IFAB Cc1nn(CC(C)C)c2sc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)cc12 69898040 QZZDBAAEVBJXLD-UHFFFAOYSA-N 437.543 2.945 0 40 IFAB O=C(Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)co1)c1ccsc1 77196529 FBKYCUGTTUAVOT-UHFFFAOYSA-N 440.481 2.675 0 40 IFAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 79072364 DIWVGHYOBDFRGF-GJZGRUSLSA-N 432.546 2.681 0 40 IFAB O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 79183125 KHDIPRASSOBSKM-ZWKOTPCHSA-N 432.480 2.688 0 40 IFAB CC(C)[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1ccc2c(c1)OCCO2 84456343 RJRWIQSJZQPRLN-MEGFKASBSA-N 433.574 2.997 0 40 IFAB O=S(=O)(c1ccc2c(c1)nc(-c1cccs1)n2C[C@H]1CCCO1)N1CCOCC1 89800084 KKTZUWVGNYNTLW-OAHLLOKOSA-N 433.555 2.965 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1cnc(-c2cnn(C)c2)s1)c1ccc(OC)cc1OC 95454184 YUNAZDNCUCMOGG-OAHLLOKOSA-N 430.486 2.595 0 40 IFAB Cc1nc(-c2nc(C(=O)NCCN3CCCC3)c3ccccn23)cn1Cc1ccncc1 96155208 SHGKSAZJMGPGCN-UHFFFAOYSA-N 429.528 2.775 0 40 IFAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCNc1nc(-c2cccs2)nc2ccccc12 97143612 IRJZTSMZGXOIRN-UHFFFAOYSA-N 447.567 2.807 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccccn3)CC2)cc1 101497138 XSJZJMHURQWDOV-CALCHBBNSA-N 430.530 2.763 0 40 IFAB O=C(O)C1=C(C(=O)Nc2ccc(NC(=O)C3=C(C(=O)O)[C@H]4C=C[C@H]3C4)cc2)[C@@H]2C=C[C@@H]1C2 102921091 WBDDDMQUUKAGOQ-KPWCQOOUSA-N 432.432 2.738 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1 211106407 HCEDUKYXKHKBPE-IBGZPJMESA-N 425.503 2.655 0 40 IFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc2c(c1)CCC2 223232593 SGBRCWVXXXRYMW-KRWDZBQOSA-N 427.570 2.602 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOc4ccccc43)CC2)cc1OC 226074392 BASMGRACMLQWSS-UHFFFAOYSA-N 446.525 2.530 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCN(C)[C@@H](c3ccccc3OC)C2)c1 257211651 BZSNITSYEGWOTJ-OAQYLSRUSA-N 426.517 2.589 0 40 IFAB COc1ccccc1[C@H]1CNCCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 257299284 RPKJXHOVLNBAKB-OAQYLSRUSA-N 444.963 2.770 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)c1 260812993 OAOQYEXHXWMUBN-CABCVRRESA-N 436.530 2.744 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408704802 TUVNZIBZWJKNQG-UHFFFAOYSA-N 433.486 2.559 0 40 IFAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575608176 WXWFQHGWBRDMEI-INIZCTEOSA-N 436.299 2.705 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1cocn1 585262186 QFDWTGDQYWTWOF-LGKPFJOYSA-N 437.471 2.551 0 40 IFAB C=CC(=O)N1CCC(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)(c2ccccc2)CC1 1137628772 MWLBHHAKGDKMGY-UHFFFAOYSA-N 440.588 2.822 0 40 IFAB COc1ccc(C(=O)[C@@H](c2c(O)c3ccccc3oc2=O)n2ccc(=[N+](C)C)cc2)cc1 1547200752 COHWCCFWWHWZEM-JOCHJYFZSA-O 431.468 2.813 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)cc1 932135 DVCJEDVYBJPCHJ-UHFFFAOYSA-N 443.485 2.587 0 40 IFAB COCCOC(=O)c1sc2ncn([C@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c2c1C 1980642 XQPBGJVQBRMTND-GFCCVEGCSA-N 433.461 2.908 0 40 IFAB O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccc(N2CCOCC2)cc1 3239445 BTSGMVHLVIDPJT-UHFFFAOYSA-N 435.274 2.787 0 40 IFAB NC(=O)c1c(NC(=O)CNc2ccc(I)cc2)sc2c1CCC2 3362530 UYUGGMOKZSUKJE-UHFFFAOYSA-N 441.294 2.991 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 3368210 KKGRIPVNVCATTC-UHFFFAOYSA-N 427.448 2.576 0 40 IFAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C)s1 3442194 CTMNBWAGRYTLPH-MRXNPFEDSA-N 437.521 2.986 0 40 IFAB CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](CC)C(=O)NC(C)(C)C 6631697 IRSAWUVGQJNKQK-LBPRGKRZSA-N 447.561 2.563 0 40 IFAB CC(=O)O[C@@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H]([C@@H]5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 8740224 SHENECVDVUHQOP-NLJGXWHYSA-N 443.540 2.792 0 40 IFAB COc1ccc2nc(SCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 9349370 BKAIISYWLDKSCX-MRXNPFEDSA-N 445.566 2.880 0 40 IFAB Cc1nc(Cc2nnc(SCC(=O)N3CCN(c4ccc(O)cc4)CC3)o2)cs1 9951744 QBKZYHYQDWYACM-UHFFFAOYSA-N 431.543 2.572 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 10009546 XRRRBADRFCYVNI-UHFFFAOYSA-N 432.402 2.891 0 40 IFAB COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(Cl)c1 10273355 ANFXUVBVAXMVAL-SFHVURJKSA-N 434.901 2.903 0 40 IFAB O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)N1CCCc2ccccc21 11613186 MHTTYNJDANUNCE-UHFFFAOYSA-N 432.505 2.647 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O 11666401 QSGDXQQOZSAGLW-UHFFFAOYSA-N 437.843 2.637 0 40 IFAB Cc1nc(NC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)sc1C 12085942 ZEKOATFVYGILTL-YEJXKQKISA-N 428.514 2.618 0 40 IFAB CCn1nc(C(=O)N2CCC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c2ccccc2c1=O 12134362 WOLUUDJCMLWOTR-INIZCTEOSA-N 446.511 2.801 0 40 IFAB COc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)c4ccc(F)cc4)CN3C)n2)cc1 12529932 UGBIGYUVHMGWGJ-YJBOKZPZSA-N 432.477 2.608 0 40 IFAB biogenic,in-vitro C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 14197345 MJDCBEFWUWPXAO-VWLOTQADSA-N 447.491 2.541 0 40 IFAB CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)C(C)C 14520401 YBSWUVNSBKLPKM-JOCHJYFZSA-N 439.560 2.625 0 40 IFAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024546 YGUKFBBBTVXVDY-KZDUYQQSSA-N 434.334 2.624 0 40 IFAB CCN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 16628169 ZIKGILOTWXCUQG-CYBMUJFWSA-N 429.498 2.742 0 40 IFAB COc1cccc(OC)c1CN1CCO[C@H](c2ccnc3c(Cn4cccn4)c(C)nn23)C1 19707770 XLAVCQLEOXGSJI-QHCPKHFHSA-N 448.527 2.873 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)ncc1C(=O)N1CCCC1 19762941 BVCBCXOEMJHEKJ-KRWDZBQOSA-N 440.548 2.866 0 40 IFAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 19823877 XUEVBTOEFHFNIT-UHFFFAOYSA-N 430.618 2.954 0 40 IFAB NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860613 GWRLQSWLRFUMRR-HNNXBMFYSA-N 435.933 2.619 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCCC2)CC1 20107627 SOWXYWYPLJNNQX-UHFFFAOYSA-N 435.634 2.919 0 40 IFAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20450378 PPQWBIJGHUJUGS-UHFFFAOYSA-N 428.470 2.612 0 40 IFAB Cc1ccccc1-n1ncc2c(C3CC3)nn(CC(=O)Nc3ccc(C(N)=O)cc3)c(=O)c21 22768123 VXTLDEIEVXGQHT-UHFFFAOYSA-N 442.479 2.506 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cc1cc(=O)n2c(C)csc2n1 28721834 WKSVPLIOBZPROH-NRFANRHFSA-N 448.552 2.540 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 30014206 SKCQGCWEYBVQOC-HXUWFJFHSA-N 442.475 2.742 0 40 IFAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)n1 32391556 RITGSKYUKVVRJN-OAHLLOKOSA-N 448.483 2.611 0 40 IFAB COc1ccc(C(=O)N2CCN(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc1 32764740 YMPLPOZZXSRHPB-BJMVGYQFSA-N 440.496 2.719 0 40 IFAB COc1ccc(OC)c2c1CN(C(=O)NC1CCN(Cc3ccccc3)CC1)C[C@H]2O 32862695 AQQUMMDCDSLRRS-HXUWFJFHSA-N 425.529 2.927 0 40 IFAB COc1cc(OC)c2cc(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n(C)c2c1 36585564 AMOKSUONWVETGK-GFCCVEGCSA-N 425.441 2.681 0 40 IFAB CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 41253778 ULELKUAJQYQIAX-UHFFFAOYSA-N 432.908 2.691 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCc2nc(-c3ccncc3)no2)cc1 65577568 YANSQVFZLJZCCJ-KRWDZBQOSA-N 439.497 2.613 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2cccs2)[nH]c1=O 69669977 VVRZNZINNAFFCN-UHFFFAOYSA-N 436.493 2.629 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 72391104 AWCNBSAZBOBFMK-UHFFFAOYSA-N 430.526 2.820 0 40 IFAB O=C(NCCn1ccc2ccc(F)cc21)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 72401481 CZKUJVDXMLNDOI-GOSISDBHSA-N 429.517 2.998 0 40 IFAB C[C@H](N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 77292061 XETMTRRGHPOVSP-NYVOZVTQSA-N 438.524 2.785 0 40 IFAB in-vitro CNC(=O)c1ccc(CN(CC2=NS(=O)(=O)c3ccccc3N2)Cc2ccco2)cc1 78737108 ASQVTICDTHOJRW-UHFFFAOYSA-N 438.509 2.854 0 40 IFAB Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCN(c3ccc(Cl)c(Cl)c3)CC1)CS2 90609612 KIGKLNBDLNSMLM-CYBMUJFWSA-N 439.368 2.929 0 40 IFAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 95454261 HVDCDJCKPDYVPI-GFCCVEGCSA-N 442.946 2.506 0 40 IFAB C[C@H](C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 95482554 NLORHLNCSFNJRJ-GOSISDBHSA-N 445.585 2.631 0 40 IFAB O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103487 DAKPXQAIBFNSGL-QGZVFWFLSA-N 445.928 2.515 0 40 IFAB CCCCNC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C[C@@]21CCN(CC)C1=O 96262814 ZLBORVHKYRTCOF-XMMPIXPASA-N 427.593 2.728 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@H]3C2=O)c1 101261849 YTNZDYOTVRDDIH-RTBURBONSA-N 448.439 2.556 0 40 IFAB O=C(NCCCn1ccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 101498701 LOEGQDNMRKFIIN-CALCHBBNSA-N 438.981 2.828 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c1 139142677 RMFAAKBHTNGLNE-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1OC 220237232 FDABJISBGMRSOS-DLBZAZTESA-N 434.558 2.996 0 40 IFAB CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220644457 RCHQXKDPBLPSKO-JOCHJYFZSA-N 445.585 2.584 0 40 IFAB COc1ccc(CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OC 222590294 QIZJGCOXCLCOHY-UHFFFAOYSA-N 432.542 2.996 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nnc(SC)s1 222879791 TYLTWUXTSSWVLR-UHFFFAOYSA-N 428.561 2.696 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(C)cc1C)S(C)(=O)=O 223671772 ZHGZXHMHBPIPIT-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)ccc21 223914085 OAYALNZADNAKFJ-UHFFFAOYSA-N 426.498 2.775 0 40 IFAB CN1CCC(Oc2ccc(NC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 224040300 WKRNOEYHPNETMA-OAQYLSRUSA-N 431.558 2.731 0 40 IFAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224815842 IMGJNVAUYAAIQD-UHFFFAOYSA-N 448.541 2.508 0 40 IFAB COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)cc1 224871959 RPHCELUTJOZUHN-UHFFFAOYSA-N 429.878 2.734 0 40 IFAB Cc1cccc(NC(=O)CCCC(=O)N2CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C2)n1 257207852 BJPMLFNORWFMLV-KRWDZBQOSA-N 433.516 2.882 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2cn3cc(C)ccc3n2)(c2ccccc2)CC[C@@H]1O 257308895 TYQJTEGXQVECQP-XTJBDQBJSA-N 434.540 2.750 0 40 IFAB Cc1nccn1CCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 257336605 YPEMJICHJVQSCN-HXUWFJFHSA-N 434.544 2.983 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260769860 SEJBHNULIFBKTI-CVEARBPZSA-N 431.549 2.890 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 409164773 NSLJEKCQBPTWCI-AEFFLSMTSA-N 429.590 2.944 0 40 IFAB O=C1C[C@@H](Cc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(-c5ccccc5)n4)C3)cc2)C(=O)N1 537552288 WMPZQUKEJIEQAK-WOJBJXKFSA-N 443.507 2.697 0 40 IFAB C[C@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)c1cn(C)c2ccccc12 585096474 PDGIXXSMYLBPPV-INIZCTEOSA-N 428.496 2.917 0 40 IFAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3426551 HQBMSRKSCRUKIE-UHFFFAOYSA-N 438.933 2.512 0 40 IFAB CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C)C(=O)NC1CCCCC1 6860648 DNZUSKHRSAANOG-CYBMUJFWSA-N 443.573 2.871 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Br)cc1 8760616 MPAJCVZFFMCVNE-HNNXBMFYSA-N 431.286 2.980 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 9263819 MTMRGMLSXUOGTG-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB COc1ccccc1N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 9519977 NNGGPYCOFUUHCV-KRWDZBQOSA-N 428.920 2.986 0 40 IFAB O=C(CCNS(=O)(=O)c1cccs1)OCc1cc(=O)oc2cc3c(cc12)CCC3 9585027 DFLYGLRQLGSRFY-UHFFFAOYSA-N 433.507 2.755 0 40 IFAB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 9867386 QXJWVNOYHBIIGV-UUOWRZLLSA-N 437.496 2.533 0 40 IFAB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1Br 10834523 YFVNERUVQSCPMC-HNNXBMFYSA-N 441.347 2.978 0 40 IFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cc(Cl)c2c(c1)OCO2 11062991 UPPIUFQFWCAWDO-UHFFFAOYSA-N 438.889 2.531 0 40 IFAB Cc1nn(-c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C)c(C)c1C 12231944 FFUVTOCWTQCVKM-UHFFFAOYSA-N 428.496 2.746 0 40 IFAB C[C@@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)C1 12582010 NPYWZADGWAKZKB-QGZVFWFLSA-N 432.590 2.939 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1 14868268 MJJIOWHPPWZRGW-UHFFFAOYSA-N 436.433 2.531 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@@H](C)c1cc2ccccc2o1 15345156 JNHVUDDTVNNTMX-KBPBESRZSA-N 448.472 2.659 0 40 IFAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccc2c(c1)OCO2 15882767 AKIZRJNZYUCUHD-UHFFFAOYSA-N 436.493 2.635 0 40 IFAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400140 JOXCOYBFMYXUIA-HXUWFJFHSA-N 435.528 2.607 0 40 IFAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CCN(C)C2 19708873 VAOSCFGNAIOIBG-HNNXBMFYSA-N 433.553 2.522 0 40 IFAB CSCC[C@@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)c1nnc2ccccn12 20722027 SGLUXQHXILKPDT-OAHLLOKOSA-N 440.554 2.669 0 40 IFAB CCn1c(SCC(=O)N(C)Cc2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21 22310788 NNCLWOAWCAHMLO-UHFFFAOYSA-N 432.571 2.763 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 22793413 MWTXQDBXLXTGOX-XMMPIXPASA-N 436.556 2.580 0 40 IFAB Cn1nc2c(c1NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(Cl)s3)C1)CCC2 23135748 SWPQUKVSJDHBMN-NSHDSACASA-N 428.967 2.663 0 40 IFAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)N2CCCC2)cc1 23994262 WFGNYUQAXGZDPQ-HXUWFJFHSA-N 432.542 2.972 0 40 IFAB C[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 25171140 OUHGHXNERRXXLA-IAGOWNOFSA-N 440.537 2.561 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccc(Cn2cccn2)cc1 29231037 NFEQCDYOFSZMEI-UHFFFAOYSA-N 443.433 2.864 0 40 IFAB O=C(NCCCN1CCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 29521726 JXORTLPIRSRJCF-LJQANCHMSA-N 445.560 2.795 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 30939124 SIVIEVNSQWVKPD-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB O=C(Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc21)N1CCOCC1 35314814 YGCXCSIHAFAIDC-UHFFFAOYSA-N 436.537 2.577 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nscc32)cc1 49403792 ZXBBRQTZUKOPPF-UHFFFAOYSA-N 436.493 2.705 0 40 IFAB O=C(/C=C/c1ccco1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 49491048 JMAKDFRJVQQNII-VMPITWQZSA-N 436.917 2.986 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2c(SC)nc3ccsc3c2=O)CC1 57504842 MJMRQBUMYBGEMC-UHFFFAOYSA-N 430.555 2.537 0 40 IFAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1 65578535 VIUPDTAMCAJPCK-CYBMUJFWSA-N 438.600 2.673 0 40 IFAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 72192012 RZVZLNPEKZANAB-ZDUSSCGKSA-N 439.497 2.735 0 40 IFAB CN(CC(F)F)C1CCN(C(=O)[C@H]2CSCN2C(=O)c2c[nH]c3ccccc23)CC1 72301415 JRBKRGUMRJPOOE-GOSISDBHSA-N 436.528 2.871 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 89552942 MPNDMXZRNOTEOE-GDBMZVCRSA-N 439.468 2.577 0 40 IFAB C[C@H](NC(=O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1)c1cccc2ccccc12 95432347 VGZDXPCHLSSYJO-MSOLQXFVSA-N 429.528 2.665 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cccs1 98086664 RQMIOMWGDWQIJK-DDYRAIOVSA-N 435.530 2.951 0 40 IFAB COc1ccc(OC)c(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 222689091 QIFHZISJALPVJK-UHFFFAOYSA-N 448.526 2.627 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1C(=O)N1CCCC1 224031187 QUKQGFCKQOOEGM-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB COCc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224816821 ISLHVWGJZCDHEB-UHFFFAOYSA-N 434.514 2.789 0 40 IFAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225100751 KDULMQPNAPFXPJ-UHFFFAOYSA-N 439.461 2.769 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225192808 BSSCSUFOMRYJCJ-SFHVURJKSA-N 445.585 2.739 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225534798 JYZQZHXGTPOLQH-GOSISDBHSA-N 442.516 2.729 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)cc1C 257314996 UZMBLFLINBWZBP-NRFANRHFSA-N 442.541 2.870 0 40 IFAB Cc1ccc(N2CCN(CC(=O)N3CC[C@H](c4ccccc4)S(=O)(=O)CC3)C2=O)cc1 390831003 PAANMUSOSYBPQI-OAQYLSRUSA-N 441.553 2.625 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC)cc2)cc1Cl 408603530 KPTUCYDWJXCGCM-ZDUSSCGKSA-N 426.922 2.731 0 40 IFAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)NC1CC1 408989990 UVTSVZSXMLJKNH-JLMKVHRTSA-N 425.535 2.979 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O)Nc1cccc(F)c1 409238488 DQQMMHOWBZVRRJ-LFIBNONCSA-N 431.445 2.930 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575414930 RFIVEQUNGZJGKT-MSOLQXFVSA-N 440.537 2.913 0 40 IFAB Cn1cc(-c2cnc(OC3CCN(C(=O)C4(c5ccccc5)CCOCC4)CC3)nc2)cn1 1889249491 GLTYPKIKXAQEOJ-UHFFFAOYSA-N 447.539 2.995 0 40 IFAB Cc1nc(CN[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCN(c3ccccc3)CC2)co1 2037829042 AUPBUYCGJUTZPD-XPGKHFPBSA-N 448.567 2.844 0 40 IFAB O=C(NCC1CC1)[C@]12CCCN(Cc3ccc(F)c(F)c3)C[C@H]1CN(c1ncccn1)C2 2055718057 ZKHFPSBLOLRVLU-CYFREDJKSA-N 441.526 3.000 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)cnc2c1 2087081246 AMCVETRNEFBUGT-UHFFFAOYSA-N 427.526 2.725 0 40 IFAB NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 2412300 KILNZYGDDZZDDL-NRFANRHFSA-N 430.416 2.996 0 40 IFAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3353604 DHIOJOBVNBZYPQ-UHFFFAOYSA-N 443.554 2.987 0 40 IFAB CCc1cccc2c(C(=O)COC(=O)[C@@H]3Cc4ccccc4CN3S(C)(=O)=O)c[nH]c12 3441705 AOPBIJLYHJAQFW-FQEVSTJZSA-N 440.521 2.843 0 40 IFAB CCOc1ccccc1/C=c1\sc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2c1=O 3651599 WXIIBDIIVLMVKY-PDGQHHTCSA-N 439.493 2.790 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 8346318 JASPZKBPOBOLQA-UHFFFAOYSA-N 427.570 2.997 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8816421 PKEUQUHRXPPKDP-HNNXBMFYSA-N 431.489 2.602 0 40 IFAB CCOC(=O)C1=C(CSc2nnc3nc(C)cc(C)n23)NC(=O)N[C@H]1c1ccccc1 8828128 NOROMINJLOHAPJ-KRWDZBQOSA-N 438.513 2.705 0 40 IFAB COc1cc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc(OC)c1OC 9130227 OWZPUWKVLGKURU-LJQANCHMSA-N 436.258 2.888 0 40 IFAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCn1nnc2ccccc2c1=O 9583289 CKMPASXHCPOCPC-UHFFFAOYSA-N 430.420 2.515 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2nc(SC)ncc2Cl)cc1OC 11575474 OEQSOVWXELQBRK-SNVBAGLBSA-N 425.894 2.731 0 40 IFAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1=O 11904999 VJRDCLTVFHZXHC-SNVBAGLBSA-N 432.882 2.592 0 40 IFAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H]4CC(=O)OC45CCCC5)nn3cn2)cc1 12085101 CNOIBDJACLPSFV-RHSMWYFYSA-N 435.484 2.853 0 40 IFAB Cn1c(=O)c2c(-c3cccc(Br)c3)n(Cc3cccnc3)cc2n(C)c1=O 12428153 GGZPQRVBCQSFMO-UHFFFAOYSA-N 425.286 2.912 0 40 IFAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C(=O)NC(=O)NC(C)(C)C 12862719 WOJQRVGZYQNIOG-CQSZACIVSA-N 442.516 2.683 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2=O)cc1F 12919508 VHLMGWIXUUURSM-HXUWFJFHSA-N 425.504 2.636 0 40 IFAB Cc1ccccc1[C@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12997177 WTXBWIQOXOCLAG-SFHVURJKSA-N 433.549 2.708 0 40 IFAB C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13097280 IGHKKTQMLJVTOO-MOPGFXCFSA-N 427.570 2.500 0 40 IFAB COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13566176 DRCVFXOADTVEQK-UHFFFAOYSA-N 438.933 2.892 0 40 IFAB C[C@H]1Oc2ccccc2C=C1/C=c1\sc2nc(=O)c(Cc3ccc(F)cc3)nn2c1=O 13777291 DBVSCMFKXBONLB-UAAGNOOKSA-N 433.464 2.605 0 40 IFAB COc1cc(CC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc(OC)c1OC 14121644 ZEZICMUMNLWHRX-KBPBESRZSA-N 435.546 2.959 0 40 IFAB O=C(OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)c1ccc(C2SCCS2)cc1 14167749 OJWYHXFHYQKYFG-INIZCTEOSA-N 441.596 2.500 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Br)c2)c1 16188347 LRODWQREMCIRFR-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB COc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 18107921 YCPDSVPFSZZHFJ-UHFFFAOYSA-N 432.542 2.737 0 40 IFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 18281227 LXWXMYJLHQNTFH-XMMPIXPASA-N 434.496 2.501 0 40 IFAB Cc1cc(-c2nccs2)nc(C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1 19118581 XQBVWSBDAKGIGD-UHFFFAOYSA-N 443.554 2.576 0 40 IFAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(Cc2ccc4c(c2)OCO4)CC1)CC3 19372540 CXBSZNOKLYYNQU-UHFFFAOYSA-N 446.551 2.908 0 40 IFAB Cc1nc(CC(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cs1 19696576 CZLORCGHLKGBAY-INIZCTEOSA-N 445.566 2.531 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)CC1 19765644 RCXGVCSAZGMJAM-NRFANRHFSA-N 441.576 2.723 0 40 IFAB Cc1nc(C2CCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)CC2)ncc1C(N)=O 19766647 BUIWNIIXTYFEHC-UHFFFAOYSA-N 440.935 2.763 0 40 IFAB COCCOC(=O)c1sc2nc(CN(C)Cc3cccc(OC)c3)[nH]c(=O)c2c1C 21324255 YPGDYDDCCJNQCP-UHFFFAOYSA-N 431.514 2.737 0 40 IFAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2cccc3ccccc23)c1 22176209 OVUBUAIOUKPAFJ-UHFFFAOYSA-N 426.494 2.681 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)o1 33654935 UCJGEXJIPOOKSG-BOPFTXTBSA-N 435.392 2.648 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)CC1 40108204 XOQYSYPHABLPGO-UHFFFAOYSA-N 426.579 2.798 0 40 IFAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(-c2ccccc2)on1 70933443 YIAJECPTUBNOCH-UHFFFAOYSA-N 426.498 2.567 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccc(C)cc2)nc1C(=O)OCC 71195271 NHBOGBLYTHHPKM-KRWDZBQOSA-N 428.514 2.713 0 40 IFAB COc1ccc2c(ccn2CCNC(=O)c2cc(Br)ccc2-n2cnnn2)c1 71284639 RSDGVWWYNNLJIS-UHFFFAOYSA-N 441.289 2.818 0 40 IFAB CC(=O)N1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)CC1 72339917 PUFDACUFPBIYHX-UHFFFAOYSA-N 428.540 2.765 0 40 IFAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ncnc4c3cnn4C)nc2n1 84109922 DBUPKCNXZOWUCF-UHFFFAOYSA-N 445.512 2.962 0 40 IFAB CC1(C)Cc2cccc(OCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2O1 84673817 RKAJALZNJYAVGV-IEZWGBDMSA-N 433.574 2.621 0 40 IFAB CCNC(=O)c1cc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)nc2ccccc12 89977495 YRVSKRCMBUQTMN-UHFFFAOYSA-N 431.540 2.984 0 40 IFAB CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 101128028 NTNFVQUAJMSDFP-PASDCYSWSA-N 427.291 2.615 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCN1CCOCC1 223130027 CVDWINXPOYYBFC-FCHUYYIVSA-N 434.569 2.572 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 224685561 ITLMNIUXWJZCDT-UHFFFAOYSA-N 434.514 2.612 0 40 IFAB CCSc1nnc(NC(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)s1 224942275 ZOYBDNPNCKLAMS-ZDUSSCGKSA-N 430.577 2.842 0 40 IFAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1cccc(OC)c1)S(C)(=O)=O 225061440 ZWXQKEPKHCOXOS-INIZCTEOSA-N 449.554 2.792 0 40 IFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 247797277 DFGLLSRSIKNJDJ-KISOLHGJSA-N 449.507 2.519 0 40 IFAB Cc1nc(-c2ccccn2)sc1C(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1 257212183 CCGVTVPPRHZPOZ-PMACEKPBSA-N 448.548 2.808 0 40 IFAB Cc1nc2cc(NC(=O)CN3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc2n1C 257275119 NNZGDKYAJSLJKU-GMAHTHKFSA-N 426.492 2.864 0 40 IFAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CN(C(=O)Cn3nc(C)ccc3=O)CCO2)n1 257345083 ZZWYYTBCRSETHH-QFIPXVFZSA-N 436.487 2.585 0 40 IFAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccccc1 306142552 XCXKLHHFPLUQKK-MOPGFXCFSA-N 427.551 2.979 0 40 IFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390829474 DZNSNAQZYXDXMY-XOBRGWDASA-N 435.473 2.710 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408654931 GZZHJIRSSASQPW-IQUZMVKNSA-N 442.512 2.623 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1 408666296 YAXINFGAYLXXFR-UHFFFAOYSA-N 426.425 2.576 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1CCO[C@](C)(c2ccccc2)C1 532100260 HRRGQPYODWTGBS-QHCPKHFHSA-N 445.585 2.972 0 40 IFAB C[C@@H]1c2nc(CC(=O)NCc3ccccn3)cn2CCN1C(=O)c1cc2ccccc2[nH]1 585097676 MNAGCMGCFIXMBK-MRXNPFEDSA-N 428.496 2.835 0 40 IFAB COC(=O)c1ccc(CNC(=O)C[C@@H](c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)o1 1547138557 NDZONWKHTFHWCL-KRWDZBQOSA-N 441.436 2.880 0 40 IFAB biogenic Cc1nccc(N2CC3(C2)OC(=O)N2CCN(Cc4ccc(C(F)(F)F)cc4)C[C@H]23)n1 1549161163 DZANRYRURVJAEJ-KRWDZBQOSA-N 433.434 2.699 0 40 IFAB CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl 1238420 XGOHAUWRZRLNBN-UHFFFAOYSA-N 441.894 2.911 0 40 IFAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2092946 BJUDTNWKMRPVDS-PBASOCQRSA-N 436.556 2.503 0 40 IFAB biogenic CCCCNC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 2685642 WXBHMVXALFGBMM-UHFFFAOYSA-N 425.532 2.584 0 40 IFAB CCOC(=O)N1CCN([C@H](c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1 4101164 AIQAEWYTQGMVPB-MRXNPFEDSA-N 431.518 2.677 0 40 IFAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)c(=O)[nH]c12 8586239 RYCAEYBFASCZEV-JOCHJYFZSA-N 444.495 2.785 0 40 IFAB aggregator CC(=O)N/C(=C\c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 8854793 SLDSMSLZAPIZLI-CXUQIOAJSA-N 430.464 2.938 0 40 IFAB biogenic COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 8861915 SJKKIOLRMUKDKG-AWEZNQCLSA-N 445.497 2.570 0 40 IFAB O=C(OCN1C(=O)c2ccccc2C1=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9135648 RBDAJBQBYNKNRW-UHFFFAOYSA-N 439.427 2.855 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1C 9192602 JGVVJLWHASGGLE-UHFFFAOYSA-N 441.475 2.884 0 40 IFAB Cc1nc(Cc2nnc(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)o2)cs1 9253239 PJRXPUWHDJYNCQ-UHFFFAOYSA-N 449.583 2.564 0 40 IFAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)N3CCOCC3)[C@H]2c2cccs2)cc1 9603556 ULYQMXYALCNEFC-GCJKJVERSA-N 442.537 2.943 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1C 9643424 HPIOKCSPPMJYHB-WMZOPIPTSA-N 440.496 2.624 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cccc3ccccc23)cc1 9670763 WQKDNAHIANJWGM-UHFFFAOYSA-N 440.477 2.503 0 40 IFAB CCOCCCn1c(C)cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 10271953 VPZWFHLUDDJPSC-UHFFFAOYSA-N 429.908 2.586 0 40 IFAB O=C(CN1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1)N1CCCc2ccccc21 12114041 YFWBEZZIUUNTCZ-UHFFFAOYSA-N 435.450 2.644 0 40 IFAB COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(OC)c1 12219512 ALJRRBXMDIXKMA-LJQANCHMSA-N 437.544 2.964 0 40 IFAB Cc1ccc(NC(=O)c2cnc(SCC(=O)NCCc3ccccc3)n(C)c2=O)cc1 12236875 YPZJDRZZMRZSEC-UHFFFAOYSA-N 436.537 2.792 0 40 IFAB CCCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H]1CCS(=O)(=O)C1 12749770 FIIXMBHWUFBQHA-MRXNPFEDSA-N 438.571 2.796 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 12983455 UPIJMJLBEDGDDN-XSXQVXRUSA-N 434.558 2.567 0 40 IFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)[C@H](C)NC(=O)c2cccc(C)c2)n1 13074050 WAIFCFAQLCKZIA-HNNXBMFYSA-N 434.500 2.930 0 40 IFAB CCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)c(OCCC)c1 13134510 NXNMQNTYJCQUHE-QGZVFWFLSA-N 429.473 2.645 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(CC(F)(F)F)c3C)C2=O)cc1 13149967 VMGXWJHDWXMXHJ-UHFFFAOYSA-N 437.374 2.854 0 40 IFAB COCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 13150605 BIFKPRLOPQLLCZ-IBGZPJMESA-N 431.558 2.609 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 13567069 RUOPTHMBPADHHS-UHFFFAOYSA-N 442.896 2.826 0 40 IFAB O=C(COc1cccc2ccccc12)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13700994 UPGMWXBWRLYUFW-UHFFFAOYSA-N 428.496 2.883 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)NC(=O)N1c1cccc(C(=O)O)c1 14241887 VZEWQWHUDRMAPJ-FQEVSTJZSA-N 439.443 2.928 0 40 IFAB COc1ccc(C)cc1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14850130 CZHOJHOLNFRNCN-IAGOWNOFSA-N 432.542 2.983 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 14908749 HXKMVHQRZXIYGK-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB C[C@@H](c1ccccc1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 18125011 YUVYBXPTYUNMRO-INIZCTEOSA-N 428.558 2.976 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)n1 19131007 AXGUVJXEHHSGLY-CYBMUJFWSA-N 435.406 2.821 0 40 IFAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 19710684 LDBFGDUNGJTPKZ-UHFFFAOYSA-N 435.981 2.728 0 40 IFAB COCCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2OC)C(=O)C3)C1 19743797 NVCGLIYTZNJHSW-SFHVURJKSA-N 438.528 2.625 0 40 IFAB CCOc1ccc(CCN[C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC 19848157 DREGDJAZILKIPW-IBGZPJMESA-N 440.496 2.735 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc(Cl)c1 20801656 YLQHYDSOFYPQGU-UXHICEINSA-N 440.931 2.868 0 40 IFAB COc1ccc2c(C(F)(F)F)cc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2c1 30831844 UCIIYWIVRUEAAB-SNVBAGLBSA-N 434.461 2.658 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)cc(OC)c1O 31861681 HMMFKXIBIIUASW-ZGWOSQSPSA-N 429.469 2.957 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 32764460 GRMSYHHWYBBLCF-CQSZACIVSA-N 448.317 2.958 0 40 IFAB C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 32929934 UHVODCXEKQTCOM-KRWDZBQOSA-N 426.538 2.815 0 40 IFAB O=C(Nc1cccc(F)c1)N1CCN(c2cc(=O)n3nc(-c4ccco4)sc3n2)CC1 32996183 IMZXGVXHVFNDDS-UHFFFAOYSA-N 440.460 2.904 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1ccco1 36623969 BJVPBTWXWCQGJL-NRFANRHFSA-N 431.492 2.605 0 40 IFAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1SCC(F)(F)F 40058015 IDJOAHQDUIMKHC-UHFFFAOYSA-N 438.225 2.592 0 40 IFAB COc1cccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)c1 57429130 XVVRJTHVADXLLT-UHFFFAOYSA-N 442.435 2.860 0 40 IFAB CC(C)(C)NC(=O)[C@@H]1CN(CCOc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 72334487 ZFICNQGDTMLUKL-UQBPGWFLSA-N 439.531 2.776 0 40 IFAB O=C(NC[C@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 72373024 KPXFVUGANPNLMH-YMPZKCBVSA-N 442.581 2.504 0 40 IFAB C[C@@H]1CCc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 95469837 OCTJFHOEEAHIPX-LJQANCHMSA-N 427.570 2.502 0 40 IFAB CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(OCC(=O)O)c(C)cc2Cl)c1 95989675 NSKDQDHTNLVLLK-UHFFFAOYSA-N 426.878 2.662 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)O[C@H](C(=O)N1CCCCC1)Cn1ccnc12 96144792 KMTHDJAZWSMXPM-IBGZPJMESA-N 441.507 2.957 0 40 IFAB Cc1ccccc1CCC(=O)N1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12 96263167 YVEHJGMHEHLTHX-NRFANRHFSA-N 436.556 2.663 0 40 IFAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N4CCCC[C@@H]4C)cc32)n1 96267829 SZQRARLTGOMVQE-MAUKXSAKSA-N 431.562 2.785 0 40 IFAB COC(=O)c1cc2cc(I)n(S(=O)(=O)c3ccccc3)c2cn1 96321350 RCONAPILXJKEOX-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB in-vitro COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870659 GGAMRMZMAZKOTD-UHFFFAOYSA-N 441.303 2.776 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 225424510 RYPKKBUYCKGVMP-UHFFFAOYSA-N 447.626 2.995 0 40 IFAB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 225638516 MQMKXCLFZIEFCN-NSHDSACASA-N 445.316 2.509 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1 408618471 JNZFFWJCUBNDIC-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408672480 ZIMONEHRDWYEJX-CQSZACIVSA-N 429.860 2.833 0 40 IFAB O=C(C1=NO[C@@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1)N1CC(F)(C2CC2)C1 585101267 SVYAEZYFZSOJFD-KRWDZBQOSA-N 427.402 2.571 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2ccc(C(F)(F)F)cc2)[C@@H](O)C1 585283098 BRKQMTUREVSCQL-UNMCSNQZSA-N 436.474 2.752 0 40 IFAB O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]12)N1CCCCC1 1565551991 VSNROKLDDRVOAH-SBHAEUEKSA-N 426.561 2.562 0 40 IFAB Cn1cc(-c2cnc(OC3CCN(S(=O)(=O)Cc4cc(F)ccc4F)CC3)nc2)cn1 1889257061 JKNJAINSVVJOIO-UHFFFAOYSA-N 449.483 2.529 0 40 IFAB COCCCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 2297598 YBNBRSLSEDSLPY-UHFFFAOYSA-N 433.468 2.862 0 40 IFAB CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1O 6600468 KIMHTUFULCKHRS-CPUCHLNUSA-N 430.404 2.956 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4CC[C@H]3C)CC2)cc1 6822443 RZQKCGZETFWKJM-LJQANCHMSA-N 427.570 2.669 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4ccccc43)C2=O)cc1OC 8883472 WGFFWNRRQUHOEU-MHECFPHRSA-N 437.496 2.665 0 40 IFAB COc1ccc(-n2nnc(C(=O)NCCc3ccc(OC)c(OC)c3)c2N)cc1Cl 8992670 AUXMVFGYWDGOEN-UHFFFAOYSA-N 431.880 2.501 0 40 IFAB CCOc1ccc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1OC 9314534 DZUKRRLYMZGSEB-IBGZPJMESA-N 431.514 2.796 0 40 IFAB CCOC(=O)c1c(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)sc2c1CCC2 9431673 WAHFNABDSRYOBQ-UHFFFAOYSA-N 429.907 2.513 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc(C)c1CC 9683860 UDSCJWFQWBZSQI-UHFFFAOYSA-N 436.511 2.579 0 40 IFAB Cc1csc2nc(COC(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)cc(=O)n12 9690678 KVQJNGKQYYVTFA-KRWDZBQOSA-N 435.452 2.840 0 40 IFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 9781741 QRYVEDKTMXKLTG-HXUWFJFHSA-N 432.480 2.628 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)ccc3C)n2)cc1 9844844 NDSYLDWYPDAOCC-UHFFFAOYSA-N 427.526 2.904 0 40 IFAB O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)NCc1ccc2c(c1)OCO2 9957573 DVTSVSACFCTHIT-UHFFFAOYSA-N 439.468 2.519 0 40 IFAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc(Br)cc1Cl 11576483 WUAMITPQQBJNEM-SNVBAGLBSA-N 432.731 2.999 0 40 IFAB CCOc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO 12275597 DNIKQCLYTOTKRA-SFHVURJKSA-N 425.533 2.769 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ncoc2-c2cccs2)CC1 12338283 LXBRPIFZJKNUJG-UHFFFAOYSA-N 447.538 2.867 0 40 IFAB O=C(NCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 12796735 FYVXAWGTDXCJAN-UHFFFAOYSA-N 441.553 2.570 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)C[C@@H](C)O1 12854436 JBBQHJJPCZKZMD-QZTJIDSGSA-N 428.554 2.946 0 40 IFAB O=C(CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Br 12944886 ZKLUXFDLINDHRL-OAHLLOKOSA-N 430.302 2.553 0 40 IFAB COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C 13058635 FKNKQQHBAAXBRK-UHFFFAOYSA-N 446.525 2.729 0 40 IFAB Cc1ccc(CSCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 13565833 MZDSGRIJLUYSJZ-UHFFFAOYSA-N 436.555 2.539 0 40 IFAB C[C@@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14244476 TZIAGXLHLAHCBS-INIZCTEOSA-N 448.541 2.589 0 40 IFAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1S(=O)(=O)NC(C)C 15791331 HRBJYORPWDSXMR-UHFFFAOYSA-N 445.585 2.961 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 19496183 FCLHNPCGOMPNIA-ROMRWMGNSA-N 427.545 2.597 0 40 IFAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4ccccn4)nc32)c1 19698628 YLASVBKBKNZKPI-UHFFFAOYSA-N 445.523 2.983 0 40 IFAB Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CCCN2Cc1ccccc1 19705741 HMMRDQSSCVYCSC-UHFFFAOYSA-N 429.590 2.724 0 40 IFAB NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860612 GWRLQSWLRFUMRR-OAHLLOKOSA-N 435.933 2.619 0 40 IFAB Cc1cc(O[C@@H](C)C(=O)NCCCN2CCOCC2)c2c3c(c(=O)oc2c1)CCCC3 20547464 QDHJVAGTTAYUOQ-KRWDZBQOSA-N 428.529 2.586 0 40 IFAB Cc1c(O[C@@H](C)C(=O)NCCCN2CCOCC2)ccc2c3c(c(=O)oc12)CCCC3 20548041 AZOVYCDVNXOSLN-KRWDZBQOSA-N 428.529 2.586 0 40 IFAB Cc1nn(CC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c(=O)c2ccccc12 21302833 SMZYRHWYGGNJCW-UHFFFAOYSA-N 440.931 2.582 0 40 IFAB Nn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1cccs1 21468940 HKYQAFMEYUAIMB-CQSZACIVSA-N 443.554 2.947 0 40 IFAB COc1ccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1OC 22256715 KMWHOYRUNUMDRK-UHFFFAOYSA-N 439.877 2.894 0 40 IFAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 23673868 GTYOXFVOLNTKHN-UHFFFAOYSA-N 425.455 2.825 0 40 IFAB O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 24427178 HBNZFQKHDOXICY-UHFFFAOYSA-N 443.447 2.697 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2o1 24775883 DQFQUDUZTZFDGQ-MRXNPFEDSA-N 430.530 2.592 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(CCC(=O)c3cccc(OC)c3)CC2)cc1 25436254 USMMCDIDXQCXAO-UHFFFAOYSA-N 432.542 2.673 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 30624235 DPJHPKRQUJNMEO-QGZVFWFLSA-N 425.533 2.539 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c3nc(C)nn23)CC1 32871516 WDJNFYWRQLSBQN-ZDUSSCGKSA-N 427.530 2.868 0 40 IFAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)C[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 36601471 BFOBFKLWCPQKMC-CKNGIIGNSA-N 427.501 2.857 0 40 IFAB COc1ccc(CCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 44791523 HKVQQDOWZKOAPR-UHFFFAOYSA-N 440.949 2.791 0 40 IFAB O=C(Cc1cccs1)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 49406239 JOBNZDAHZDKUSC-UHFFFAOYSA-N 429.933 2.946 0 40 IFAB COC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nncn3c2)o1 49408454 OKIXZLCDAASYFI-UHFFFAOYSA-N 430.417 2.644 0 40 IFAB CC[C@H](C(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 56907962 CEYWRIHEPXUEBU-RTWAWAEBSA-N 444.601 2.702 0 40 IFAB COCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)c1 58224324 WMWUAZJPMJZXDU-UHFFFAOYSA-N 436.440 2.532 0 40 IFAB C[C@@]12CCCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)[C@@H]1CCc1cncnc12 72342441 RIVLRGQXHATFPL-NFBKMPQASA-N 440.569 2.915 0 40 IFAB COCCC(=O)N1CCC(c2nc([C@@H]3CCCN(Cc4cccs4)C3)cc(=O)[nH]2)CC1 72399218 ICAKSSRTVNGUBO-GOSISDBHSA-N 444.601 2.954 0 40 IFAB COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1-c1ccccc1 83962585 UCTFSADCJSBIAU-QFIPXVFZSA-N 445.519 2.695 0 40 IFAB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)[C@H]1CC(=O)N(Cc2ccccc2F)C1 96232262 FFDDQGNEFJOWNN-KRWDZBQOSA-N 445.516 2.743 0 40 IFAB COc1cccc(N2C(=O)[C@H]3NN=C(C(=O)C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 100707151 JFMIAKKZSCAQJI-GGAORHGYSA-N 439.471 2.914 0 40 IFAB CCCCn1c(=S)[nH]c(O)c([C@H]2c3cc(OC)c(OC)cc3CCN2C(C)=O)c1=O 101037693 MXGMGMZJZGJTNK-GOSISDBHSA-N 433.530 2.923 0 40 IFAB C[C@@H]1[C@@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCC[C@H]1C 104745475 ULILOMLGLZPIPS-UWVAXJGDSA-N 436.574 2.571 0 40 IFAB Cc1ccc(N(CCCC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 219630646 IDQNSRZVFNUUHG-UHFFFAOYSA-N 434.543 2.969 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccccc1F 223618998 CTCPIYGMFSCMAX-UHFFFAOYSA-N 445.516 2.787 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 223681258 ONLQZZYZTDDQEA-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 245229783 FNDRMHMJFIHCSU-ZBNTXBBCSA-N 438.455 2.800 0 40 IFAB CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1Br 408599964 PSDZGYHKMUKCQW-UHFFFAOYSA-N 440.367 2.624 0 40 IFAB O=C(COCC(=O)NCCc1ccc2ccccc2n1)NCCc1ccc2ccccc2n1 519375841 RAFQRNDZCOQIMF-UHFFFAOYSA-N 442.519 2.817 0 40 IFAB O=C1CCCc2cc(S(=O)(=O)N3CCc4[nH]c5ccc(C(=O)O)cc5c4C3)ccc2N1 548546096 BJCUZCCHSUVQBR-UHFFFAOYSA-N 439.493 2.888 0 40 IFAB O=C(NC1CCCCC1)NC1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)CC1 560985413 BAEMNNRREHURFV-UHFFFAOYSA-N 425.537 2.955 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1 663830 URJXBABWFGXMRO-UHFFFAOYSA-N 431.514 2.693 0 40 IFAB O=C(Cc1ccccc1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)C1 1334597 RPPJAQDXJZAFCI-SFHVURJKSA-N 446.486 2.651 0 40 IFAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2129976 HQVRAAHWGUMKGD-BUXKBTBVSA-N 436.420 2.559 0 40 IFAB biogenic C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 2635529 DCDPGQUQGTTZED-ZDUSSCGKSA-N 437.905 2.704 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@H]1c1cccs1 2699417 XDEQSYRLARYLGC-QMJOVRGKSA-N 428.510 2.999 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCCCN1CCCC1=O 3376988 XQQFUCYSRALHDR-UHFFFAOYSA-N 433.505 2.677 0 40 IFAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1nnc(C)s1 6878493 QXAAUKWIUCARCJ-UHFFFAOYSA-N 445.574 2.987 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 8442029 DLZAUXADFWDGRL-WMLDXEAASA-N 431.562 2.541 0 40 IFAB COc1cc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8612520 PTCFVEYCJLOAAI-GOSISDBHSA-N 433.526 2.850 0 40 IFAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8719668 PDQWDIGVCGKIMW-GFCCVEGCSA-N 445.520 2.713 0 40 IFAB CC[C@@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 8724632 PWWDVAATYKOJJK-RHSMWYFYSA-N 425.551 2.918 0 40 IFAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O[N+](=O)[O-])CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 8789100 RJAUVGPQRJIERL-NNNAONFXSA-N 433.501 2.999 0 40 IFAB biogenic CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCOc1ccccc1C)c1ccccc12 8843683 NIJWJHLDYJEOAV-JOCHJYFZSA-N 438.509 2.576 0 40 IFAB CCS(=O)(=O)N(C(=O)C(C)C)c1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CC 8870456 FWSLIHCMDMHDFP-UHFFFAOYSA-N 442.559 2.689 0 40 IFAB CCOC(=O)C1=C(COC(=O)/C=C/c2cc(Br)ccc2F)NC(=O)N[C@H]1C 9467166 ZUNMKRODPVPJAK-QBBOHKLWSA-N 441.253 2.663 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9469346 BLMOAKSKNJNFTJ-MRXNPFEDSA-N 435.571 2.624 0 40 IFAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n12 9829359 WRSYEEIUQPQNHS-UHFFFAOYSA-N 427.408 3.000 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041404 KAVPPIRPIBFZGD-NSHDSACASA-N 440.319 2.713 0 40 IFAB CN(C)CCN(C(=O)COc1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337356 FQPBIFSCTKWSBG-UHFFFAOYSA-N 433.555 2.673 0 40 IFAB CC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 10736264 RZNFLVLCSNPNDV-UHFFFAOYSA-N 429.542 2.845 0 40 IFAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 11758486 TWMTZFRLVBZCGI-UHFFFAOYSA-N 438.444 2.868 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCCC1=CCCCC1 12086602 VKIRHDOQKKUQCP-XMMPIXPASA-N 425.529 2.567 0 40 IFAB COc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)c4ccc(C)cc4)CN3C)n2)cc1 12529943 BXZASALCDHQTTB-LPHOPBHVSA-N 428.514 2.777 0 40 IFAB biogenic,in-vitro CCC(=O)N(c1nnc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)s1)C1CC1 12675782 FSQWIJCNSIGGES-NSHDSACASA-N 434.543 2.969 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O 12679153 ZIQBVWPFPWFONG-KBMIEXCESA-N 449.507 2.979 0 40 IFAB COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1nnc(-c2ccc(Br)cc2)n1 12919180 UPIYUSHFMNYSIR-INIZCTEOSA-N 447.289 2.754 0 40 IFAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccccc2F)CC1 13038913 YNIBFZPQKVBEQN-CYBMUJFWSA-N 438.425 2.508 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2C)CC1 13084799 BZXAASVDIZWKKS-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCC(=O)N3CCCC3)n2)cc1 13642469 IVZMZUDNIAPQRQ-UHFFFAOYSA-N 443.447 2.957 0 40 IFAB COc1ccccc1CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13665143 CIUJEXAZYJRYHJ-UHFFFAOYSA-N 432.480 2.772 0 40 IFAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCCCOc1ccccc1)N2c1ccc2c(c1)OCO2 13720754 QFZOQAOCVZSNJP-ZWKOTPCHSA-N 446.550 2.959 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 14235346 NBQLVSLQOGTUOW-DLBZAZTESA-N 437.587 2.695 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1OC 15934898 UZOHNHKUCYISLW-OKILXGFUSA-N 427.482 2.717 0 40 IFAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 17095026 RBBQEYGYNIWFPQ-UHFFFAOYSA-N 426.542 2.799 0 40 IFAB COc1ccc(Cl)cc1CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 18524832 QAQMZINFNVTRMC-UHFFFAOYSA-N 427.979 2.972 0 40 IFAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3nc(C(C)C)cc(C(F)(F)F)n3n1)CC2 19286410 GTMPLLZVEIVPBU-UHFFFAOYSA-N 434.422 2.504 0 40 IFAB CC[C@H](C)S(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19698609 AOFCPBVJFMNZCN-INIZCTEOSA-N 430.574 2.867 0 40 IFAB CCc1cc(C(=O)N2CCC(Cc3nc(C)ncc3C(=O)NCc3ccccn3)CC2)on1 19757063 SNBZFKPWHVWSCT-UHFFFAOYSA-N 448.527 2.755 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1 19900203 ITOWPZINFBBHIM-QFIPXVFZSA-N 441.597 2.740 0 40 IFAB C1CCc2c(c(N3CCOCC3)nc3sc4c(NC[C@@H]5CCCO5)nnnc4c23)C1 19940234 GYKZRVSVHMRZFB-ZDUSSCGKSA-N 426.546 2.941 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 21094204 ACNAACZURBJMTP-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)n2N)cc1 21283150 PHXIGASNHDQQBL-NSHDSACASA-N 429.468 2.949 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1OC 22334114 LKFJDZMNCQERTP-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 24025437 BAMRHVVGHGHIGE-AWEZNQCLSA-N 436.917 2.694 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 32999987 SBGFOBFBKOWBSU-UYAOXDASSA-N 433.549 2.831 0 40 IFAB COc1ccc(OC)c(NC(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)n2)c1 35597344 WKBGPIQJWZYUEM-UHFFFAOYSA-N 425.493 2.838 0 40 IFAB CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1cccc2ccccc12 35736503 QPPZFMUEXZZDBD-RFXJPFPRSA-N 435.476 2.923 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 36386267 HDPOBAIFVBGWAQ-UHFFFAOYSA-N 444.582 2.782 0 40 IFAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 48278494 FBXCHCJUIWKNNF-YLJYHZDGSA-N 443.548 2.853 0 40 IFAB COc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC(F)F 48362416 LOFAILLONGTIMS-UHFFFAOYSA-N 429.445 2.869 0 40 IFAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)nn2)n1 62163987 LSFYHLTUTTWWPP-KRWDZBQOSA-N 434.500 2.905 0 40 IFAB O=C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc(Br)ccc1F 69452852 JNQQXRWUNSNVIS-UHFFFAOYSA-N 430.251 2.868 0 40 IFAB COCCOC[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 72303084 SCCKHZATETZCKF-AWEZNQCLSA-N 432.970 2.542 0 40 IFAB CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)CC1 72325834 NFLMBAJPCIVHSK-VTLFHKLASA-N 427.589 2.900 0 40 IFAB biogenic COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 100166054 YDAZWDQJHIXODA-QYZOEREBSA-N 442.313 2.993 0 40 IFAB COc1ccc(N2N=C(C(C)=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 100950781 AMOJUWNSOWNPJU-WMZOPIPTSA-N 442.269 2.781 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 139080744 ZWZKUQZFDDFREV-INIZCTEOSA-N 443.887 2.632 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1C 165647435 UHVHIBCOKNYCIX-NHUSPQTBSA-N 426.513 2.841 0 40 IFAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)N=C3N=C(NS(C)(=O)=O)NN32)cc1 199430396 ZAUFPKJFTBNWBV-QGZVFWFLSA-N 431.905 2.526 0 40 IFAB CCOC(=O)[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218227037 GZGANBDTTBPFOX-LNLFQRSKSA-N 438.343 2.958 0 40 IFAB C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1cccc(F)c1)S(C)(=O)=O 220474390 CKZVGZNVQQQAQZ-OAHLLOKOSA-N 433.505 2.855 0 40 IFAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C(C)C 223339831 VFJKBAXMHWKLPM-DLBZAZTESA-N 425.595 2.823 0 40 IFAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224314575 RRCJWXDLXGKGHD-UHFFFAOYSA-N 446.569 2.970 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3cccnc3)cc2)cc1 224439064 KFAWEPMOKURJLR-UHFFFAOYSA-N 425.510 2.841 0 40 IFAB COc1cccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 226021123 IBRTWFGVDNIVAY-UHFFFAOYSA-N 427.320 2.741 0 40 IFAB COc1ccc(CN(C)CC(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 257239928 HRJZMRDAXZRXBV-OAQYLSRUSA-N 448.527 2.656 0 40 IFAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 257251149 JPPMPESDTHOFDS-XMMPIXPASA-N 449.595 2.811 0 40 IFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(Cc1cn(C)c3cc(OC)ccc13)C2 257305153 SOQYCDSZJWZXAF-KRWDZBQOSA-N 448.571 2.913 0 40 IFAB O=C(C1CC=CC1)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306129884 IPQQTHZIKDVRSK-HSZRJFAPSA-N 439.537 2.602 0 40 IFAB Cc1cnc(C(=O)N2CCN(C)[C@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)cn1 306131733 KOFWMKKBNVIXIC-NRFANRHFSA-N 431.475 2.763 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccccc1N1CCOCC1 409211331 MYHDEAOXBCMBCU-CPNJWEJPSA-N 439.493 2.904 0 40 IFAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c3cccc(OC)c23)C1=O 409212381 QWNDWFDZZNNQOS-BOPFTXTBSA-N 430.482 2.656 0 40 IFAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1Cc1ccnc(-c2ccccc2)n1 604382702 ZCYJSVSSSAZDEI-GXRSIYKFSA-N 433.508 2.563 0 40 IFAB biogenic,in-vitro C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 683179946 QRZQUZSGWWHAEG-RUZDIDTESA-N 446.507 2.850 0 40 IFAB COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N(C)C)cn3C)o2)cc1Br 1117265638 GUPQHUWAIJXJFY-UHFFFAOYSA-N 441.307 2.764 0 40 IFAB O=C(NCc1cnc(O)c2ccccc12)C1CCN(S(=O)(=O)c2ccccc2)CC1 1652115327 GPQNTYIZKHCYIZ-UHFFFAOYSA-N 425.510 2.658 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2134066 DKARJKOEVWXOJB-ZACQAIPSSA-N 448.523 2.871 0 40 IFAB biogenic C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 2625231 YQPAJSRACGQPAL-HXUWFJFHSA-N 445.269 2.870 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 3555650 MWYDTUCENKTADO-UHFFFAOYSA-N 430.267 2.794 0 40 IFAB CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC 5706735 YAMQCWSSFXUFGP-ZLGUVYLKSA-N 442.512 2.934 0 40 IFAB COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCc2ccccc21 6194842 GEXRTHIGMQQVQK-QFIPXVFZSA-N 430.512 2.930 0 40 IFAB CC[C@@H](NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2)C(=O)O 8877433 NMURRYPNGNKUPN-OAHLLOKOSA-N 429.469 2.744 0 40 IFAB biogenic CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccc(Br)cc2c1=O 8946037 ZEYYGXDSICIVOS-LBPRGKRZSA-N 426.336 2.566 0 40 IFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)N1CCN(c2ccccc2)CC1 9382966 MCHYAKKYLAMVRM-UHFFFAOYSA-N 445.552 2.711 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)sc2c1CCC2 9494973 LWABTNJEVXETTN-UHFFFAOYSA-N 444.494 2.845 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9584845 FLEFRSZRLROBIQ-OWJWWREXSA-N 432.480 2.534 0 40 IFAB CCCc1cnc2c(c1SCC(=O)Nc1ccc(C(C)=O)cc1)c(=O)n(C)c(=O)n2C 10216728 YUJLNBQLRJDZBO-UHFFFAOYSA-N 440.525 2.518 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 12237686 GPSVTFAEWSTJLV-UHFFFAOYSA-N 439.859 2.892 0 40 IFAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12796173 YBUGDUCEJAVDDO-QGZVFWFLSA-N 427.501 2.766 0 40 IFAB COC(=O)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 12877354 YJYDRGXSKOXSBC-OAQYLSRUSA-N 440.521 2.881 0 40 IFAB CC(=O)N[C@@H](Cc1ccccc1C)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13084896 IGEXKSIVSBSQHS-QHCPKHFHSA-N 436.556 2.533 0 40 IFAB CCn1nnc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc21 13114310 NGZGDWGKUHDEIW-UHFFFAOYSA-N 425.470 2.775 0 40 IFAB CCOc1ccc2nc(SCC(=O)NCc3ccc(S(N)(=O)=O)cc3)sc2c1 13119433 BBOVOUSWBDIZPP-UHFFFAOYSA-N 437.568 2.751 0 40 IFAB O=C(c1ccco1)N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 13504568 PKHBCAHWDRJRLC-QFIPXVFZSA-N 428.496 2.862 0 40 IFAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1C[C@H](C)O[C@H](C)C1 13711797 AOOASYRDZJCKBR-OKILXGFUSA-N 433.505 2.800 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC3CCCCC3)CC2)cc1 15177296 CDQWDCZWWVWZRV-UHFFFAOYSA-N 438.590 2.952 0 40 IFAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 16321548 WRTZBALQDCLREA-UHFFFAOYSA-N 431.514 2.837 0 40 IFAB C[C@H](C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 16517767 SCOFZRCHUIVTEL-LJQANCHMSA-N 437.565 2.851 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@@H](C)O1 17247363 QFALVAPNWLUXLE-BETUJISGSA-N 448.526 2.848 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cn2nc(C)nc2C)C1 19528936 IKQNRKSLDODRQH-RUZDIDTESA-N 446.555 2.554 0 40 IFAB NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)CCCNc2ncccn2)CCO1 19697540 PNALGQVFDAXPQD-OAHLLOKOSA-N 425.514 2.582 0 40 IFAB CNc1cc(C(=O)N[C@H]2CC[C@]3(CCC(=O)N3)[C@@H](c3ccc(OC)c(OC)c3)C2)ccn1 19740333 FJQSQEXHWQHIAG-RHGYRFJNSA-N 438.528 2.855 0 40 IFAB Cn1ccnc1[C@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 19748782 YNCOIAIGMSPKRP-HXUWFJFHSA-N 434.537 2.618 0 40 IFAB CCn1cc2c(n1)c(=O)n(Cc1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(F)cc1 21713809 ITVZRXWNTAWVDS-UHFFFAOYSA-N 435.459 2.514 0 40 IFAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O 21986197 LQOLIRLGBULYKD-KEYYUXOJSA-N 435.889 2.549 0 40 IFAB biogenic O=S(=O)(c1ccc(Br)s1)N1CCN(CCOc2ccccc2)CC1 23805865 PBDXCYQUEWMVJZ-UHFFFAOYSA-N 431.377 2.896 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1C 24308972 IWVFWGJYAQZMRS-SFHVURJKSA-N 436.464 2.874 0 40 IFAB CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)cc2)c1C 24652107 ZIVGSGVDAYMZDM-UHFFFAOYSA-N 445.479 2.866 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(I)c1 27384716 APTKMHVNGGNTOI-LLVKDONJSA-N 444.294 2.772 0 40 IFAB COc1ccc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)cc1 27698319 ANSZPXVJTYUOFR-AYHJJNSGSA-N 430.526 2.898 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1cc3cccc(C)c3[nH]c1=O)N(S(C)(=O)=O)CC2 35313449 YYKHYJNYQZLBFP-OAQYLSRUSA-N 428.510 2.761 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(C)cc1C 38179374 LVEUDJUHXQEPTN-SFHVURJKSA-N 435.484 2.896 0 40 IFAB CCN(c1ccsc1C(=O)N1CCC2(CC1)OCCO2)S(=O)(=O)c1ccccc1 49004205 KCVQNRFKNYVAOK-UHFFFAOYSA-N 436.555 2.942 0 40 IFAB Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(F)cc1F)CN(Cc1ccccc1)CC2 49400865 KCNCKSPIAMLWKN-UHFFFAOYSA-N 438.478 2.705 0 40 IFAB O=C(NCc1ccccc1)NC1(C(=O)N2CCN(Cc3cscn3)CC2)CCCC1 58139496 ZQDFUYRPORGRMK-UHFFFAOYSA-N 427.574 2.600 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1coc(NC(=O)C2CC2)n1 77099827 RJRRTDNKZRUXEK-UHFFFAOYSA-N 433.471 2.533 0 40 IFAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)cc2c1OCCCO2 85877176 DVRYPIWFXPKVOI-KRWDZBQOSA-N 437.452 2.666 0 40 IFAB biogenic O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2cc(-n3cccc3)ncn2)CC1 90607820 NOHJWCXRSRAVAD-UHFFFAOYSA-N 427.468 2.812 0 40 IFAB O=C(C[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 95476540 KJNUKRFRSXBLNO-LZMFZKJZSA-N 446.551 2.602 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1 95479827 MEZMWUSOOAIAOO-UHFFFAOYSA-N 435.549 2.672 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCC3(CC2)COCCN(Cc2cccnc2)C3)cc1 96239907 CWHRONFEISDGKJ-UHFFFAOYSA-N 429.586 2.947 0 40 IFAB Cc1cccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)c1 96855728 GRHCTCKNYIBELN-LDADJPATSA-N 441.484 2.717 0 40 IFAB CN(C)C1(CNc2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)CCCCC1 101701501 DFPOCFWEMPUWFE-UHFFFAOYSA-N 430.980 2.939 0 40 IFAB CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 113944614 IZRNKYZGQODKAC-CQSZACIVSA-N 448.416 2.746 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2cccc(OC)c2)no1)N(c1ccccc1)S(C)(=O)=O 219089134 WTQYAUMMYSDDDC-SFHVURJKSA-N 444.513 2.606 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223651606 WFWAMBUIQPMQBW-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224046022 PHLPTTBLKVLAIC-QGZVFWFLSA-N 426.513 2.952 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCOCc2ccccc2)CC1 224347486 CZLZHIPESCSILP-UHFFFAOYSA-N 430.570 2.870 0 40 IFAB CCN(Cc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1)S(=O)(=O)c1ccccc1 224450166 IKTGSZQEUXZENJ-UHFFFAOYSA-N 444.553 2.923 0 40 IFAB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Br)cc2)cc1OC 224728524 IYRFKOGEHQVBRU-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224823710 SFLUGPMFRIPDPP-UHFFFAOYSA-N 442.287 2.589 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3cccc(C)c3)s2)cc1 225125280 MHGCFUQIHHVBBV-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2cccnc2)n1 225939175 VSJHEEIOPZXDEX-UHFFFAOYSA-N 435.557 2.693 0 40 IFAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F 257320677 VXZIJONJKQJREH-IBGZPJMESA-N 434.462 2.576 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(C(=O)c4ccco4)C[C@H]3c3cccnc3)C2=O)cc1 306132020 KVTXIMZLRPQIAT-OFVILXPXSA-N 447.491 2.721 0 40 IFAB COCCN1CC[C@]2(CN(Cc3ccc4c(c3)OCO4)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306144416 ZEPCGEWVVUXWIX-NTKDMRAZSA-N 440.544 2.657 0 40 IFAB Cc1cc(C)cc(CN2CCc3nc4n(c(=O)c3C2)CC[C@@]42CCN(C(=O)NC(C)C)C2)c1 306144854 ZQHAXDNWMBJMIG-AREMUKBSSA-N 449.599 2.884 0 40 IFAB COc1ccc(N(CC(=O)Nc2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1Cl 408601525 AHGLPHVLXXSVRK-UHFFFAOYSA-N 425.894 2.712 0 40 IFAB COc1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c(OC)cc1Cl 408614072 ZWDCRJFIZWQBSG-UHFFFAOYSA-N 427.910 2.609 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)N2CCn3cc(CC(=O)N4CCCCC4)nc3[C@@H]2C)c1 585097474 KFYMSAVSFORLJG-SFHVURJKSA-N 430.574 2.820 0 40 IFAB COC(=O)C[C@@]1(C(=O)OC)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 585157922 MQTWLMUGRYCDMF-XMMPIXPASA-N 448.479 2.910 0 40 IFAB O=C(O)CCN1C(=O)[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C1=O 2079038 OGYWZRYGIQECNN-KQNFGGRRSA-N 426.266 2.860 0 40 IFAB CCOC(=O)[C@@](NS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OC)OC 2569226 FZWWUMXNKPQYJQ-ZDUSSCGKSA-N 433.341 2.581 0 40 IFAB CC(C)[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 3293585 QKIYZNJRXYEKLW-QGZVFWFLSA-N 432.542 2.809 0 40 IFAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372836 DPFQLFDJAJMYOI-UHFFFAOYSA-N 435.417 2.502 0 40 IFAB Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)s1 3456350 FNOSXZJZNIQDAP-UHFFFAOYSA-N 426.585 2.922 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 3478823 ATJQSNPECJBIHF-UHFFFAOYSA-N 446.447 2.680 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 8704952 AEDIQTIZXGTNQL-UHFFFAOYSA-N 431.558 2.652 0 40 IFAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)N[C@@H](C(=O)O)c1ccccc1 8791781 XGRWZWVBRCTRNF-RBBKRZOGSA-N 449.507 2.878 0 40 IFAB biogenic O=C(CSc1cccc[n+]1[O-])Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 8824894 ROSACRDYQNKTAD-UHFFFAOYSA-N 441.962 2.879 0 40 IFAB COc1ccc(C(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1OC 9302976 PGURKCPOZRZOGC-UHFFFAOYSA-N 426.498 2.989 0 40 IFAB COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 9408273 SGENEIQKBHNWDQ-RBUKOAKNSA-N 445.566 2.717 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc1 9428264 DRDWAYNNCXYFJV-UHFFFAOYSA-N 441.553 2.840 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)c(OC)c1 9430188 NXSMYZNYWSZHAS-ODLFYWEKSA-N 442.493 2.805 0 40 IFAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 9468150 QOVLACYRYSLQMQ-UHFFFAOYSA-N 438.914 2.655 0 40 IFAB Cc1c(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 9498878 HEHRCGCBLXTBHE-CQSZACIVSA-N 435.509 2.840 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 9664881 LLEZITUWXBVQII-QGZVFWFLSA-N 430.526 2.739 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 9846846 BZFCDVSFDZFQJG-INIZCTEOSA-N 439.295 2.849 0 40 IFAB O=C(CN1C(=O)N/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O)Nc1ccccc1F 9908252 IUKWACOETVQQGM-UNOMPAQXSA-N 448.410 2.846 0 40 IFAB Cc1ccc(NC(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 12550121 BHLQKBBPUINELY-UHFFFAOYSA-N 431.514 2.758 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1 12598821 NFCJBIWZRRZKNJ-UHFFFAOYSA-N 432.498 2.700 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 12677588 AKYUPJCJAWPQPO-GFCCVEGCSA-N 439.921 2.665 0 40 IFAB COc1ccc(CC(=O)Oc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 12902285 QFWQFMHWGYWJOW-UHFFFAOYSA-N 425.890 2.518 0 40 IFAB COc1cccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 13040233 SFTDRXKWEVBWKK-UHFFFAOYSA-N 425.938 2.669 0 40 IFAB COc1ccc(NC2=NC(=O)[C@@H](CC(=O)NCCc3ccc(OC)c(OC)c3)S2)cc1 13144237 PJWJEGYONSFCBF-LJQANCHMSA-N 443.525 2.871 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)C[C@H](C)CC4 13499828 QNCCVOYGVWVDHK-LLVKDONJSA-N 447.586 2.798 0 40 IFAB O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 14246541 BDSKBRPHWHGMNR-RCCFBDPRSA-N 433.574 2.567 0 40 IFAB O=C(NCc1ccco1)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 16844725 LHENYXDWEALABP-UHFFFAOYSA-N 449.529 2.921 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 17179082 GZAXYQQPZXNVJA-UHFFFAOYSA-N 436.468 2.576 0 40 IFAB O=C(NCCc1cccc(Cl)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 18105682 YAGMJBRAZVKJGY-UHFFFAOYSA-N 431.945 2.860 0 40 IFAB COc1ccc(-c2nnc([C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 19357306 VAWPTLSCYRZNAB-STQMWFEESA-N 449.460 2.856 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cn2nc(C)nc2C)C1 19528937 IKQNRKSLDODRQH-VWLOTQADSA-N 446.555 2.554 0 40 IFAB COc1cc2cc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC 19769988 PJHGPEIPYFCDEA-UHFFFAOYSA-N 439.487 2.966 0 40 IFAB CCOC(=O)C1CCN([C@H](c2ccc(OC)c(OC)c2)c2sc3ncnn3c2O)CC1 22609355 FJCAXUANDDFVLZ-QGZVFWFLSA-N 446.529 2.878 0 40 IFAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cn1ccc(=O)[nH]c1=O 23054992 JBOZVPNNVOCRJA-UHFFFAOYSA-N 449.898 2.701 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CN(C)S(=O)(=O)c1cccs1 23730844 JDMRGOIWPGDKFZ-UHFFFAOYSA-N 432.571 2.830 0 40 IFAB CC(C)N(CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(C)C 24865353 ZOPFWAFOORXFTO-OAQYLSRUSA-N 449.592 2.950 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c1 24968802 LCJXHRFQJCISML-UHFFFAOYSA-N 445.522 2.931 0 40 IFAB COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc(Cl)c1OCC(N)=O 29050374 IIRHQKBBOLQDHG-MRXNPFEDSA-N 440.327 2.899 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccnc(N4CCCC4)c3)C2)s1 29559211 UNYDSEPDFXLLON-SFHVURJKSA-N 448.614 2.769 0 40 IFAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cnc21 30630998 QOYBDUNIIAURFZ-UHFFFAOYSA-N 428.492 2.990 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CC2)c(F)c1 32803050 RLRLMBFCXUBQGS-UHFFFAOYSA-N 446.910 2.943 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 32858308 NBRCXLJOUMZYKA-RUZDIDTESA-N 433.508 2.930 0 40 IFAB O=C(c1ccc(C(F)(F)F)cn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32903123 UFVFNADQMIWESZ-UHFFFAOYSA-N 439.459 2.736 0 40 IFAB Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)NCc1ccccc1 33444891 BIGZGTILIVOZCJ-UHFFFAOYSA-N 429.933 2.807 0 40 IFAB O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 40120948 RNGXSEYNFNSCDE-QGZVFWFLSA-N 443.429 2.951 0 40 IFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)(C3)C2 40159945 HHDWKJSKTPSSDK-RGMRCXJASA-N 433.574 2.787 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)c1 57553654 SADUVJRKLXSAKY-GOSISDBHSA-N 443.569 2.840 0 40 IFAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(-c2cccnc2)no1 69895176 MTOGUPWGPFOHEP-AWEZNQCLSA-N 448.936 2.785 0 40 IFAB Cc1cc(-c2cncnc2C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)on1 72334651 FJCPYVRLVUIFGS-UHFFFAOYSA-N 435.484 2.665 0 40 IFAB Cc1ccn(C[C@@H](C)C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2cccnc2)n1 72351539 NVBIGIMGQYRNHT-JPYJTQIMSA-N 431.540 2.802 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)Cn2nc(C)nc2C)C1 72352165 MUVQROCIRGIHKI-MRXNPFEDSA-N 441.557 2.502 0 40 IFAB Cc1cnc(C(=O)N2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cn1 72396041 GIPLNBGEQBXDPM-XMMPIXPASA-N 433.512 2.993 0 40 IFAB CCOC(=O)C[C@@H](c1ccccc1OCc1ccccn1)c1oc(CO)cc(=O)c1O 72401084 KKBOMRYLRSTGRI-SFHVURJKSA-N 425.437 2.897 0 40 IFAB CCN(C)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)C1 78935322 LUOYEZYNERNJAV-QGZVFWFLSA-N 431.558 2.910 0 40 IFAB Cc1ccc(C)c(-n2ccnc2SCC(=O)NC[C@H](O)C(=O)OCc2ccccc2)c1 95464761 REDVYGJRJDYBGX-FQEVSTJZSA-N 439.537 2.802 0 40 IFAB COc1ccc(CC(=O)N[C@@H](C)c2cc(O)n3nc(C4CCOCC4)cc3n2)cc1F 100730005 CMANQZKBCKYKJQ-ZDUSSCGKSA-N 428.464 2.897 0 40 IFAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c(OC)c1 100738252 HPVVXWPGASGUDG-RTBURBONSA-N 425.529 2.696 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H]4C=C[C@@H]([C@@H]32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]42)cc1 101042944 CIJNUGYMNLRZJV-RACICXKXSA-N 434.517 2.606 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4Cl)[C@H]3C2=O)cc1 101165986 NHNRVUDGOFAJBF-ZWKOTPCHSA-N 427.848 2.589 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)cc4)[C@@H]3C2=O)cc1Cl 101168787 SDDJWDYPONSLJZ-ROUUACIJSA-N 427.848 2.589 0 40 IFAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C 104098044 XMMLNGJTNAUWCH-ZQDZILKHSA-N 430.954 2.728 0 40 IFAB CSc1cccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220076045 VHPKVEYDIANKEC-UHFFFAOYSA-N 432.527 2.541 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)c1 220321749 YJFNZOOSNBNHDA-CQSZACIVSA-N 432.477 2.655 0 40 IFAB COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c2ccccc12 222609761 DKNLXQLAYAFNFP-UHFFFAOYSA-N 430.482 2.812 0 40 IFAB Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1I 223564769 VUHWRNQFMBTZNQ-HUUCEWRRSA-N 442.326 2.596 0 40 IFAB CN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)c1)S(=O)(=O)c1ccccc1 224232528 CXWGPLWSGSXBCZ-UHFFFAOYSA-N 435.933 2.503 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 225725003 JPDCXEYKDJWUEE-UHFFFAOYSA-N 430.577 2.842 0 40 IFAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1 238901097 KUVRUHKFMQCXAC-WFXMLNOXSA-N 436.512 2.592 0 40 IFAB COc1cccc(-c2cncc([C@H]3CN(Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)n2)c1 257273064 NFCOVALCLIKNTK-XMMPIXPASA-N 445.523 2.916 0 40 IFAB CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C(C)(C)NC(=O)Cc3cccc(F)c3)C2)n1 257314004 UUZZRWLKVDKUGZ-DEOSSOPVSA-N 441.551 2.983 0 40 IFAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccc3F)CC[C@@H]2Oc2ccccc2)CC1 257326886 WZAITCVNYVCOOH-CVDCTZTESA-N 439.531 2.900 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(-n4ccnc4)cc3)C2)cc1 260888576 BQLHNORUVGIFPW-FQEVSTJZSA-N 438.553 2.898 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)cc3)C2)cc1 408561812 VMZJRZMJLQDFKT-GOSISDBHSA-N 432.542 2.811 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1)N1CCCC1 408587495 DAONRFAHFJSHFC-UHFFFAOYSA-N 432.521 2.964 0 40 IFAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 408602739 IWBVFIBLBWAASK-IBGZPJMESA-N 445.585 2.737 0 40 IFAB CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)NC(C)C 408701034 QJDNRPWVYUYAHU-UHFFFAOYSA-N 445.585 2.730 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1 409377653 JSNDXKNGDLKWLI-UHFFFAOYSA-N 427.482 2.586 0 40 IFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1ccccn1 524734551 PYYPNJNSSBMESB-QHCPKHFHSA-N 426.476 2.945 0 40 IFAB Cn1c(=O)c2cc(C(=O)N3CCc4ccccc4[C@@H]3Cc3ccccc3)n(C)c2n(C)c1=O 535655208 JKTLWDAIXVPNSP-NRFANRHFSA-N 442.519 2.558 0 40 IFAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cccc(OCCn4cccn4)c3)C2)c1 585274789 NVSBSVCCVLQXMR-VWLOTQADSA-N 437.540 2.913 0 40 IFAB Cc1nc(Nc2nncs2)cc([C@@H]2CCCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585293247 YTZZRKYAWXEZCZ-KXPUMZMLSA-N 438.561 3.150 0 40 IFAB Cc1noc(CCNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 604405180 MGIQIMJBXAJIGS-JOCHJYFZSA-N 445.479 2.632 0 40 IFAB biogenic CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2cc(O)nc3ccccc23)CC1 643198500 XGIBPQRIIBVFOJ-JOCHJYFZSA-N 430.508 2.676 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 784308 PNUNKIBPZJVYFW-INIZCTEOSA-N 445.541 2.724 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc2c(c1)OCO2 2650992 NLPNNNLEPJYAFN-UHFFFAOYSA-N 446.525 2.919 0 40 IFAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 3496870 RDRCCXUKRRQFOF-ZDUSSCGKSA-N 427.486 2.952 0 40 IFAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1OC 9413225 QAIGOEGJGULXFM-SSEXGKCCSA-N 429.473 2.972 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421306 OVQWRPVKQDPNEN-ZDUSSCGKSA-N 438.879 2.589 0 40 IFAB Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2c1nc1n2CCN1Cc1ccco1 9518813 WWZZPXBTKUGKBP-UHFFFAOYSA-N 446.294 2.865 0 40 IFAB CC(=O)N1C[C@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)Oc2ccccc21 9690986 AOTVWVXGRLCNRD-GOSISDBHSA-N 446.301 2.626 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc(Cl)c1OCC(N)=O 9809762 LBQWRFBVEUTYPO-CQSZACIVSA-N 445.903 2.704 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 9836013 DUENWBJHNZMTCD-MOPGFXCFSA-N 441.875 2.979 0 40 IFAB COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)cc1Cl)C(C(=O)OC)=C(N)O2 10166049 DIYCEQIDQSUAHA-OAHLLOKOSA-N 439.295 2.978 0 40 IFAB CC1=NN(Cc2ccccc2C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 10357119 LLBZQXDFEINGMR-UHFFFAOYSA-N 428.496 2.650 0 40 IFAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 11416661 PNJODCYLYFJFKL-UHFFFAOYSA-N 431.876 2.853 0 40 IFAB Cc1cnc(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cn1 11480856 OOODOUCMBGYIPE-UHFFFAOYSA-N 446.529 2.534 0 40 IFAB CCOC(=O)c1ccccc1O[C@@H](CC)C(=O)NCC(=O)c1ccc2c(c1)OCCO2 11615314 BHHCTBQFPDXVGK-SFHVURJKSA-N 427.453 2.791 0 40 IFAB COc1cccc2c(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc(C)nc12 12324833 DGAVJVJXDAMNFI-UHFFFAOYSA-N 441.509 2.825 0 40 IFAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 12674236 GWUODXNOFZLBIE-CYBMUJFWSA-N 448.526 2.724 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)C[C@@H](C)O1 12675914 XZQCKNNXMIDCHX-CALCHBBNSA-N 440.525 2.923 0 40 IFAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 13164194 OUSCECIGUOYYLK-OAHLLOKOSA-N 436.965 2.941 0 40 IFAB O=C(NCC(=O)N(c1cccnc1)[C@@H](C(=O)NC1CCCC1)c1ccco1)c1ccco1 13506689 AESCLBRCRKOJCD-OAQYLSRUSA-N 436.468 2.831 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cc1 14370504 VDUFMFCMLSOXLK-HSZRJFAPSA-N 434.452 2.540 0 40 IFAB O=C1NC(S)=N/C1=C\c1cc(Br)c(O)c(I)c1 15723653 BSPHXAUMDMRPET-CLTKARDFSA-N 425.045 2.516 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)CC3CCCC3)[nH]c(=O)c2C1 19239470 BPNKGCHADBWTAJ-OAQYLSRUSA-N 449.555 2.916 0 40 IFAB O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343702 PPGZMNPLHIOMCT-LJQANCHMSA-N 436.541 2.547 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2cccnc2)CCO1 19529295 QHMFKZUYHIMNDW-VWLOTQADSA-N 430.508 2.734 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 19709891 XJBQRSCMBLUYFN-MRXNPFEDSA-N 449.552 2.512 0 40 IFAB O=C(Cc1ccccc1F)Nc1cnn(CC(=O)N2CCC[C@H](CN3CCCC3)C2)c1 19749808 QWDBWAFKEHSDME-GOSISDBHSA-N 427.524 2.538 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cccc4cccnc34)C2)ncc1C(=O)N1CCOCC1 19764112 PNDOQNZHYLVOJZ-IBGZPJMESA-N 445.523 2.825 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)CC1 22472709 PSIXNBHJAVFGJQ-UHFFFAOYSA-N 433.506 2.710 0 40 IFAB O=C(c1ccccc1CN1C(=O)CNC1=O)N1CCN(Cc2cccc3ccccc23)CC1 24529119 IOBGEBCCTNURQK-UHFFFAOYSA-N 442.519 2.850 0 40 IFAB O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 26900679 KIATYPRIJHYIEG-GOSISDBHSA-N 443.338 2.628 0 40 IFAB CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)OCCCO2 29243526 DOGMXQNQDXZMSE-IBGZPJMESA-N 430.526 2.662 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCn2c1nc1ccccc12 30793606 WRMZBRPYIYUYOQ-UHFFFAOYSA-N 449.330 2.514 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1 32895462 VYUKFDNPZCVTJM-IBGZPJMESA-N 447.582 2.871 0 40 IFAB Cc1cnc2n(c1=O)[C@H](CC(=O)NCc1cc(-c3ccc4c(c3)O[C@@H](C)C4)on1)CS2 38755199 RUAZTLGRLPVARR-SUMWQHHRSA-N 438.509 2.883 0 40 IFAB COc1ccc(CNC(=O)C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 43943912 HEXIEVWZKXBRAQ-UHFFFAOYSA-N 442.491 2.511 0 40 IFAB CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 44902895 GDLAKHILQONJHP-GOSISDBHSA-N 440.529 2.876 0 40 IFAB CCN1C[C@@H](CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)Oc2ccccc21 58175565 PSROFKSRRSBREX-QGZVFWFLSA-N 447.557 2.732 0 40 IFAB O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 61718273 DJLOAKQZFJRAHW-LBPRGKRZSA-N 444.369 2.716 0 40 IFAB CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 78680169 CQJIGPOAHHTBDW-VXKWHMMOSA-N 428.621 2.545 0 40 IFAB O=C(Nc1cccc(N2CCNC2=O)c1)N[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 79107222 KWEULOSGZZSUCK-MRXNPFEDSA-N 434.905 2.910 0 40 IFAB C[C@@H](O)CN1CCC(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 89895901 FPRXXWSABVUMEK-NQIIRXRSSA-N 443.613 2.640 0 40 IFAB CC1CCN(c2ccc(C(=O)N(C)C[C@@H](O)CN3CCc4ccccc4CC3)cn2)CC1 95446573 OYWYREMSKSMKAB-XMMPIXPASA-N 436.600 2.852 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 95958135 IBHGKFRHVYRGRT-LLVKDONJSA-N 449.385 2.783 0 40 IFAB O=C1[C@@H]2C[C@@H](CN2S(=O)(=O)c2ccccc2)Oc2ccccc2N1Cc1cccnc1 96111665 SZGORSXHRCCMSS-RXVVDRJESA-N 435.505 2.839 0 40 IFAB biogenic,in-vitro COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NC1CCN(C(C)C)CC1)NC2=O 100182051 OPWLUVAEBFKVQG-FSXKIHRRSA-N 441.572 2.939 0 40 IFAB CCCOc1ccccc1CCCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219670002 KGXHUTNOWGPOLO-UHFFFAOYSA-N 430.526 2.759 0 40 IFAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220221226 FNOWQDSCCQSFDF-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB CCOc1cccc(N(CC(=O)n2cc(C(=O)OC)c3ccccc32)S(C)(=O)=O)c1 222614209 LEROVZLKSLGPFE-UHFFFAOYSA-N 430.482 2.933 0 40 IFAB COc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC 224191411 IKBPXMXRYAJFMW-UHFFFAOYSA-N 444.553 2.914 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2C)cc1 224226626 GHPCFCAKCCVEED-UHFFFAOYSA-N 431.558 2.653 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225206345 CLGXMJXUGMSECR-SFHVURJKSA-N 445.585 2.739 0 40 IFAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 225723101 GIVMPHZIIVDCNP-CQSZACIVSA-N 433.434 2.634 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253564240 GHGHXLOTDDQLCQ-KGLIPLIRSA-N 425.489 2.943 0 40 IFAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCCCC2=O)C1 257276614 NUMIIGNFWUONOG-JOCHJYFZSA-N 435.952 2.606 0 40 IFAB Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)cc1 306126506 DXZPURSMFUJNNV-HXUWFJFHSA-N 441.597 2.987 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408672479 ZIMONEHRDWYEJX-AWEZNQCLSA-N 429.860 2.833 0 40 IFAB COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccc(OC)c2)cc1 408710325 XJEPSHKFJMMWCC-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB Cc1cc(OCC2CCN(C(=O)C[C@H]3CSc4nc(C)c(C)c(=O)n43)CC2)ccn1 1775968047 LHRJOZJNBZHSPN-SFHVURJKSA-N 428.558 2.918 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)cc1 3310700 GRQRJORISCFVFI-KRWDZBQOSA-N 430.526 2.527 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 3440145 MWNSXLHRSXVIDN-MRXNPFEDSA-N 446.554 2.573 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 3456693 PCFSXCVNUWVDOZ-JOCHJYFZSA-N 442.903 2.513 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=S)NCc1ccco1)OCO3 6445916 IGFYQLXSEQBWOE-QGZVFWFLSA-N 441.509 2.906 0 40 IFAB COC(=O)Cn1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 8451800 GIYYATHUFLERCZ-YBFXNURJSA-N 446.463 2.654 0 40 IFAB Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1C 8678190 VCHSCXUBLBGDJR-HXUWFJFHSA-N 438.528 2.746 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)NCCc1ccc(O)cc1 9348163 HXZZDTDDLRTPFH-UNOMPAQXSA-N 440.477 2.906 0 40 IFAB COc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3S(C)(=O)=O)nc12 9385951 UHBREFJMNSPSMN-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C 9462517 YSBQUSHBAVZNMV-JKSUJKDBSA-N 426.469 2.894 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)c1 9487740 VOBZSDLOSPUFQD-UHFFFAOYSA-N 439.476 2.928 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccccc1Br 9512447 YBHKZHLXLYLOKY-CQSZACIVSA-N 440.363 2.894 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@H]3C2=O)cc1 9835936 ZJBQNIKHKONWPX-QZTJIDSGSA-N 427.848 2.671 0 40 IFAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCOC)cc1 9846521 IJVHAZXNSPIINR-FQEVSTJZSA-N 441.484 2.906 0 40 IFAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)s1 10381883 BSDSPXCBQUJXPL-INIZCTEOSA-N 446.510 2.680 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 10448650 SPHZGOUPTFMAHQ-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 10542054 JSJAVKDTRWOODO-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB CCOc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccc(F)cc4)cnc32)cc1 12071687 OBQACTVABITVAE-UHFFFAOYSA-N 435.459 2.609 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)cc1 12215188 MFWFZQXJHAZUHS-UHFFFAOYSA-N 432.567 2.936 0 40 IFAB CC(C)n1ncc2c(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc(C3CC3)nc21 12769310 DFGITRSBUONLFI-UHFFFAOYSA-N 438.576 2.660 0 40 IFAB CN(CCOC(=O)c1cncc(Br)c1)C(=O)c1cncc(Br)c1 12847976 GDRRRIKDFKSZPI-UHFFFAOYSA-N 443.095 2.931 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 13149454 KXAKUBYTJKCMCJ-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 13677983 QGJLYRDVWAJBEN-SFHVURJKSA-N 432.542 2.763 0 40 IFAB CC(C)n1ncc2c(C(=O)O[C@@H](C)C(=O)Nc3ncnc4nc[nH]c34)cc(C3CC3)nc21 14244153 KYAWRBDNWQAKMB-NSHDSACASA-N 434.460 2.740 0 40 IFAB C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1c(=O)oc2ccccc21 14308966 KFMVYOXDSCHBLB-INIZCTEOSA-N 443.525 2.647 0 40 IFAB CC(C)OC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 14710076 XKYHEDUNARESHL-FMIVXFBMSA-N 429.494 2.946 0 40 IFAB CC(=O)Nc1nc(C(=O)N2CCC[C@]3(CN(C(C)=O)Cc4ccccc4O3)C2)cs1 19022907 SVFMMNAZDRQUCP-OAQYLSRUSA-N 428.514 2.517 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)CC1 19085338 YLUQPSXEDUBQQX-IBGZPJMESA-N 437.544 2.959 0 40 IFAB Cc1cccc(N2C[C@@H](C(=O)NCc3cc(N(C)C)nc(-c4cccnc4)n3)CC2=O)c1C 19235544 OLIKQTUWANXIOD-IBGZPJMESA-N 444.539 2.891 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O 19743301 KYDVWHCBQORSDL-ZDUSSCGKSA-N 438.450 2.547 0 40 IFAB COc1ccc(OC)c(CC(=O)N2CCCC[C@H]2c2nc(C)ncc2C(=O)NC2CC2)c1 19766978 WRDRXZUGJDOKIR-FQEVSTJZSA-N 438.528 2.991 0 40 IFAB CC(C)Oc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 20461366 DSMOEOZDXQUGLC-UHFFFAOYSA-N 432.542 2.566 0 40 IFAB C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 21628200 MKVILGSJUDMPQC-MNOVXSKESA-N 425.561 2.757 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229984 MKOFMPRKVKVQCR-LJQANCHMSA-N 446.525 2.972 0 40 IFAB COc1ccc(-c2nn3c(SCC(=O)Nc4cccc(OC)c4)nnc3nc2O)cc1 22720552 ORSLQFUCQOMDOF-UHFFFAOYSA-N 438.469 2.640 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 24710662 UBORAUNPBMKSQC-QGZVFWFLSA-N 436.464 2.874 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 27663168 LZEWWTLTXUSBSU-SUMWQHHRSA-N 428.510 2.924 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(c2ccccc2)CCCC1 29209454 AZLOCWWNRFNKMN-UHFFFAOYSA-N 428.554 2.836 0 40 IFAB O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 36365468 IYJAFBWGRVYZTJ-OAHLLOKOSA-N 448.570 2.699 0 40 IFAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)C[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 36601469 BFOBFKLWCPQKMC-PXAQALGRSA-N 427.501 2.857 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855722 YRPHXOSBTONLEG-OXQOHEQNSA-N 446.525 2.641 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44915235 JAZFEDMNWSEBPD-HXUWFJFHSA-N 445.541 2.724 0 40 IFAB COc1ccc(-c2cn(CC(=O)N3CCN(c4ccccc4OC)CC3)nc2N(C)C)cc1 62006989 PKUGDZVQXBLACQ-UHFFFAOYSA-N 449.555 2.982 0 40 IFAB O=c1cc([C@@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccccn2)[nH]1 72393250 ROBRHKVZENMLPY-LJQANCHMSA-N 431.544 2.992 0 40 IFAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 95482542 YZXUSBMUGQFMMI-UHFFFAOYSA-N 437.949 2.927 0 40 IFAB COc1cc(OCC(=O)N2CCN([C@@H](C)Cc3ccccc3)CC2)cc(OC)c1OC 95696418 OIZFACGVQRLYET-SFHVURJKSA-N 428.529 2.867 0 40 IFAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc2c(c1)OCO2 113480353 OQOOMCLYNQYSQQ-UKRRQHHQSA-N 428.535 2.897 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 223728131 CREFDIKXFHNSOS-UHFFFAOYSA-N 432.527 2.928 0 40 IFAB CCSc1nnc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 223847568 ABISXBQNJVJMCP-GFCCVEGCSA-N 448.979 2.859 0 40 IFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1 225476616 KYEAVZQYQJJMNA-JXMROGBWSA-N 449.602 2.542 0 40 IFAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 225643685 UZDQYNLUORVLTD-SFHVURJKSA-N 448.932 2.981 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)c3sc(N(C)S(C)(=O)=O)nc3C)cc2)CC1 225879932 ZOPWOIUZLUOFGI-UHFFFAOYSA-N 437.543 2.694 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1 226035078 JTIZFAYTOZXSEI-UHFFFAOYSA-N 446.960 2.878 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)c1 226079536 PSNUVXCLZCYHMU-UHFFFAOYSA-N 436.505 2.907 0 40 IFAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2cnn(C)c2C)cc1 257299541 RQLOORIXEXCPLD-JTAQYXEDSA-N 425.533 2.550 0 40 IFAB Cn1nc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1CCOc1ccc(F)cc1 257322115 WEQVFJXRIOGWHL-QFIPXVFZSA-N 445.516 2.943 0 40 IFAB O=C(COc1ccc(F)cc1F)N1CCO[C@@H](c2cccc(Nc3nncs3)n2)C1 257328537 XGCNYHBDVNOIMY-MRXNPFEDSA-N 433.440 2.934 0 40 IFAB COc1cccc(-n2nccc2-c2nc(C(=O)NCCCn3ccnc3)c3cnccn23)c1 306142492 XAQQJDSGOMRWQJ-UHFFFAOYSA-N 442.483 2.607 0 40 IFAB COc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 408613383 WSORFBHRAAFKEF-UHFFFAOYSA-N 442.541 2.602 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658637 LJAWYZZSXZTYSO-CESHALSISA-N 437.279 2.671 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1O 409164299 GEMIFSNNNYTMSY-REZTVBANSA-N 428.422 2.805 0 40 IFAB C[C@]1(c2cccc(-c3noc(CSc4ccc5c(c4)OCCO5)n3)c2)NC(=O)NC1=O 544425831 YQFLBTHVEQTNJQ-OAQYLSRUSA-N 438.465 2.855 0 40 IFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 575420972 GXQPXEYMQQFQIT-LJQANCHMSA-N 444.534 2.558 0 40 IFAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)Cc2cccnc2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262436 GGLATFIDJQOSNI-OSNGURLVSA-N 449.526 2.961 0 40 IFAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)c3ccc(O)nn3)CC2)C(=O)N1 643571741 SOLXMAGTJZDNAB-QGZVFWFLSA-N 438.528 2.715 0 40 IFAB COc1cncc(S(=O)(=O)NC[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)c1 1655295174 HILIIRFJHLZAFG-IBGZPJMESA-N 433.530 2.903 0 40 IFAB CC(C)n1nc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)ccc1=O 1888918233 FDEOSPBXGSRLKQ-HDICACEKSA-N 434.544 2.963 0 40 IFAB CN=c1[nH]c([C@@H]2CCCCN2Cc2ccc(NC(C)=O)cc2)nc2c1CCN(C(C)=O)C2 2037633235 IORADQAQULUULL-QFIPXVFZSA-N 436.560 2.530 0 40 IFAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2)N1CCN(C(=O)c2ccco2)CC1 793189 QQZOXZBHASSWBN-CJNGLKHVSA-N 437.422 2.772 0 40 IFAB COc1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nc3ccccc3c2=O)cc1Cl 2619494 HBLYCOCMVRPVGP-JTQLQIEISA-N 432.889 2.723 0 40 IFAB Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 3253649 OSELJWQZVGMSAN-YBHKSSGVSA-N 449.463 2.797 0 40 IFAB O=C(C[S@](=O)Cc1ccco1)NC/C=C/COc1cc(CN2CCCCC2)ccn1 3873058 KMZQAVXSMUKBPD-RWODCLOBSA-N 431.558 2.661 0 40 IFAB in-vitro CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 6232693 DYPWYALADNLMHN-JAAXMTQOSA-N 433.379 2.920 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 8432640 LSQBWNAZHMKJMI-OXRZLYTFSA-N 426.469 2.839 0 40 IFAB CCCCN1C(=O)CC[C@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1OC 8853227 YNIZTRQYJKWCOQ-REWPJTCUSA-N 441.572 2.856 0 40 IFAB COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)c1 8910145 XCNKAJHEDAMJAX-UHFFFAOYSA-N 447.900 2.980 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCOCC2)cc1 9117727 PPYXFWSYRZFQOJ-UHFFFAOYSA-N 428.577 2.576 0 40 IFAB Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 9143546 LIMSSZZCGMHCAH-UHFFFAOYSA-N 428.436 2.665 0 40 IFAB O=C1CCc2cc(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc2N1 9203558 FTLGFMBMGAOHBO-UHFFFAOYSA-N 444.538 2.818 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(F)c2)cc1OC 9252646 KAYDBCYENYUKSD-UXHICEINSA-N 438.459 2.767 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc2c(c1)OC(F)(F)O2 9257504 SYDCIYVRHJHHRE-HXUWFJFHSA-N 429.379 2.730 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(=O)OC 9323356 TUKRNUUNIZTFIF-LICLKQGHSA-N 428.416 2.869 0 40 IFAB CCCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 9429651 LNISKEMQKNHOST-PXDATVDWSA-N 432.524 2.803 0 40 IFAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9495879 GXDIUSUDHKHCBE-UHFFFAOYSA-N 433.464 2.739 0 40 IFAB COc1cccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c1 9829473 FUCBYPIXNIPGJJ-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB CCCCn1c(N)c(N(C(=O)CN2CCC[C@@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O 9949542 KNQIJHJGMGDGQA-HKUYNNGSSA-N 445.608 2.849 0 40 IFAB O=C(NCc1ccccc1)NC1(C(=O)OCc2cc(=O)n3ccsc3n2)CCCC1 11301455 AHWKFCOKXPAXLR-UHFFFAOYSA-N 426.498 2.611 0 40 IFAB Cc1cc(-c2cnc(C)nc2CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)on1 12160048 ULVAJONGUOUJND-UHFFFAOYSA-N 441.513 2.696 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1)O2 12329413 OQDZMNLCTAWMSX-BTYIYWSLSA-N 433.464 2.589 0 40 IFAB CNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12772725 XNVFTWZJBGAKEK-CQSZACIVSA-N 435.933 2.739 0 40 IFAB Cc1nc2cc(N3CCN(C)CC3)c(NC(=O)C3CC3)cc2c(=O)n1Cc1ccccc1 13511505 RLPSMAWIAYHGFL-UHFFFAOYSA-N 431.540 2.854 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 13675542 IRVJNINTGGMUGQ-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB O=C(C1=NN[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]12)c1ccc2ccccc2n1 16034338 RIJCPJYQLUYCDK-SJLPKXTDSA-N 438.365 2.954 0 40 IFAB O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 17155292 IMPFPJOMMTZZKF-UHFFFAOYSA-N 425.304 2.722 0 40 IFAB O=C(c1cnccn1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 19337841 FTVGJQLXNXUOHI-ONTIZHBOSA-N 431.471 2.781 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19342795 IOGVXTJQSTTYJV-QGZVFWFLSA-N 426.542 2.884 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699863 RJJUYDNHVAILQZ-IBGZPJMESA-N 426.561 2.610 0 40 IFAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1OC)C3 19816936 MGNWIIHOPLLCSZ-GFCCVEGCSA-N 442.497 2.709 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232367 JMHIPKXGWRTNSM-HNNXBMFYSA-N 440.949 2.836 0 40 IFAB O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)NCCc1ccc(F)cc1 22594463 DUZKFKOBFQWFOV-SFHVURJKSA-N 433.553 2.647 0 40 IFAB NS(=O)(=O)c1ccc(Br)c(C(=O)OCCOc2ccc(Cl)cc2)c1 23593226 ZBAOHOFLXIEFSI-UHFFFAOYSA-N 434.695 2.986 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 24611083 AGSNMRHSZFEPPE-UHFFFAOYSA-N 430.526 2.582 0 40 IFAB NC(=O)CCN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 32768999 BNQYUJYRSSKKBJ-LJQANCHMSA-N 427.476 2.642 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)C(C)C)cc1 32769070 WEVKJWUCKBEFBM-JOCHJYFZSA-N 443.569 2.741 0 40 IFAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc2c(c1)OCCO2)CC3 33129309 XQFORNPSKKTGRD-UHFFFAOYSA-N 435.480 2.613 0 40 IFAB Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)nn2)ccc1F 49406477 QDCSVICZDDVOSR-UHFFFAOYSA-N 439.466 2.817 0 40 IFAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)cc(OC)c1 71327265 UNNVGODEUPWGEC-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228496 AHJREFUHIOBSIU-MRXNPFEDSA-N 427.888 2.740 0 40 IFAB COc1ccc2nc(NC(=O)Cn3ncc4ccc(OC)c(OC)c4c3=O)sc2c1 80330324 ZHDNVGUFUXUINQ-UHFFFAOYSA-N 426.454 2.671 0 40 IFAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nncn1-c1ccccc1 95457333 CITFVDDUXIDDBU-QGZVFWFLSA-N 438.513 2.503 0 40 IFAB O=C(c1ccncc1)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 96263953 UTZUYUMDEZBDMC-OALUTQOASA-N 427.526 2.548 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)cc(OC)c1OC 96374594 PBSLJQPZIWJNNV-VOTSOKGWSA-N 425.547 2.787 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCC(c2ncncc2-c2ccncc2)CC1 100130962 XBUMDKWKXRRAJY-BGYRXZFFSA-N 447.539 2.810 0 40 IFAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)cc2c1 202794523 LTTLHZSHVOGAMK-SIKLNZKXSA-N 433.560 2.808 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c(OC)c1 220227333 UTROXMSLORWNIQ-CYBMUJFWSA-N 438.502 2.514 0 40 IFAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(F)cc1 222833058 HNYDVQBJGDMJDI-UHFFFAOYSA-N 442.896 2.542 0 40 IFAB CCN(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)S(=O)(=O)c1ccc(OC)cc1 223062883 AGMPDTLUESUUCN-UHFFFAOYSA-N 432.477 2.874 0 40 IFAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 225244215 HITWBCMWDOAYBE-XDHOZWIPSA-N 432.571 2.547 0 40 IFAB COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 225498884 FRQWMANJHQJERU-UHFFFAOYSA-N 446.569 2.854 0 40 IFAB O=C(COc1ccccc1/C=c1\sc2ncnn2c1=O)Nc1cccc(C(F)(F)F)c1 256055495 IVLAJOBKDXIESV-PXNMLYILSA-N 446.410 2.735 0 40 IFAB Cc1nn(C)cc1S(=O)(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257291568 QHOKMUIMQOMNSW-JIORRVSTSA-N 428.602 2.976 0 40 IFAB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)c3ccncc3)cc21 408528412 FZIZLTMHEZAKAW-UHFFFAOYSA-N 442.523 2.851 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 408659088 LWMVWNJZBKELLY-ZMMDUFCOSA-N 446.459 2.768 0 40 IFAB COc1cccc(C(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 408969688 RZXKFDKCOBXTGA-UHFFFAOYSA-N 426.513 2.924 0 40 IFAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)cc1 409131006 JENCNZDUWJGIHF-UHFFFAOYSA-N 441.509 2.923 0 40 IFAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(OCC)c2)C1=O 409216371 KMBFOWYRYZPQEM-MHWRWJLKSA-N 437.470 2.928 0 40 IFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 409229320 NEIMWSAWXHRTJZ-YBFXNURJSA-N 446.463 2.820 0 40 IFAB Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 576195427 FPISXMYYESZKRD-UHFFFAOYSA-N 447.474 2.623 0 40 IFAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1cc(CC(C)C)no1)O[C@H](C(C)C)C(=O)N2 585281221 HFWXIQSOYQPRSD-GOSISDBHSA-N 435.502 2.656 0 40 IFAB O[C@H]1CCN(Cc2cccc(OCCN3CCCC3)c2)C[C@]1(O)COc1ccc(F)cc1 585283138 QEROLWWMJAAYBZ-DQEYMECFSA-N 444.547 2.677 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCN(S(=O)(=O)c3ccc(C)cc3)COC2)cc1 1611187 BWCJZAKPJRQVOJ-UHFFFAOYSA-N 438.571 2.710 0 40 IFAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cnccn2)nc1C 3250807 ITELLTQQKDSBQV-UHFFFAOYSA-N 440.481 2.808 0 40 IFAB CCOC(=O)Nc1ccc2c(COC(=O)[C@H](C)NC(=O)c3ccco3)cc(=O)oc2c1 3366936 OGHSIDDBOOZGCC-LBPRGKRZSA-N 428.397 2.816 0 40 IFAB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 5706777 LYFZBGIZNYYJJR-UXHICEINSA-N 428.485 2.845 0 40 IFAB in-vitro Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1Cc1ccc(F)cc1 9222147 FONJBOJJZUGWFK-UHFFFAOYSA-N 445.516 2.587 0 40 IFAB Nn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 9510843 LOYPOCWHJRAOCM-UHFFFAOYSA-N 444.883 2.967 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 9525954 IEUYCBWIGPVDOK-AWEZNQCLSA-N 430.844 2.661 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 9744968 JNYLNEIBOBXQCV-LDADJPATSA-N 436.537 2.939 0 40 IFAB C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12 9787234 ZXDAXYPFUFGUFD-CQSZACIVSA-N 439.493 2.801 0 40 IFAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)c(OC)c1 9829485 PFCDQGAQALVJFG-UHFFFAOYSA-N 439.516 2.819 0 40 IFAB CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCn1nc(-c2cccnc2)ccc1=O 11743986 ABXNLAUDTXARQK-UHFFFAOYSA-N 442.541 2.806 0 40 IFAB O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCC(=O)NC1CC1 12508143 HGSNQPPYPNDDPE-UHFFFAOYSA-N 437.521 2.578 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1 12527113 DVULFOWQAMGPAJ-UHFFFAOYSA-N 447.538 2.824 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 12919748 LFHFDOVAGXGHRP-CQSZACIVSA-N 448.317 2.796 0 40 IFAB CC[C@@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@H]1CCS(=O)(=O)C1 13039045 SOYNFASOKJSPHE-CABCVRRESA-N 437.514 2.550 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(c3ccccc3)CC2)c1 13056328 MOJINKCYAIFJCG-UHFFFAOYSA-N 444.601 2.786 0 40 IFAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)N3CCCC[C@H]3C)c2cc1OC)CCS4 13568153 KVMPKPBCAYGTIP-CYBMUJFWSA-N 442.541 2.875 0 40 IFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 13698687 BPHMBWGGZKFAJB-UHFFFAOYSA-N 449.872 2.964 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCCC(C)C)CC2)cc1 13751797 MKXALFWQGIMWPE-NRFANRHFSA-N 449.617 2.549 0 40 IFAB CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1C1CC1 14016302 CPCLELJVUSDFTL-UHFFFAOYSA-N 435.575 2.691 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N[C@H]1CCSc2ccc(F)cc21 14184636 KZCDXMVLYSBDBD-AOMKIAJQSA-N 441.484 2.709 0 40 IFAB CCOc1ccc(OCCOC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 18958042 LMGILRNHHOSSLW-IBGZPJMESA-N 444.509 2.621 0 40 IFAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)Cn3nc(C)nc3C)CCNC2=O)cc1 19212883 DQCPPHZUNNYPLX-QFIPXVFZSA-N 431.540 2.688 0 40 IFAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)c(=O)n1 19694201 AGSRGLXUCVMVML-HXUWFJFHSA-N 446.555 2.789 0 40 IFAB Cc1cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc(C)c1Br 20345467 DTJAZXMUXVAGMA-UHFFFAOYSA-N 445.269 2.844 0 40 IFAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1OC 20459144 QPTISOQQQUPLJO-OAHLLOKOSA-N 448.541 2.988 0 40 IFAB COc1cccc(CCCNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22401202 FEIISPACBSEQJR-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC(=O)N3)CC1 22610304 XXBCRGULGPUVOX-GFCCVEGCSA-N 433.871 2.863 0 40 IFAB CCOc1ccc(CC(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)cc1 23139255 IHHXRZGHOLJPGW-QGZVFWFLSA-N 444.557 2.505 0 40 IFAB COC(=O)C1CCN([C@H](c2ccc(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1 23157097 ZZBIIPBTRPYTET-QGZVFWFLSA-N 446.529 2.796 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCc2ccc(C(F)(F)F)cc2)c1 23235506 ZPPUQEKHLWNARE-UHFFFAOYSA-N 442.459 2.935 0 40 IFAB COc1ccc(C(=O)Cn2ncc(Br)c(Br)c2=O)c(OC)c1 23558248 KBYQBQJNYOPGBL-UHFFFAOYSA-N 432.068 2.668 0 40 IFAB COc1cc2nc(CN3CCOCC3)n(CCCOc3ccccc3)c(=O)c2cc1OC 26396735 PZMMLVRHJOLZND-UHFFFAOYSA-N 439.512 2.715 0 40 IFAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 30850820 FUTRYRDFEMMAOE-KRWDZBQOSA-N 448.541 2.739 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30947427 KEPBNTRFOSXBTO-LJQANCHMSA-N 445.560 2.877 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(C)c(F)c3)n2N)c(OC)c1 32858332 NLMYOCWQAMJVKH-UHFFFAOYSA-N 431.493 2.532 0 40 IFAB Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccc3c(c2)OCCO3)c1N 33169955 SGQUKDIBTFYZCW-UHFFFAOYSA-N 432.440 2.896 0 40 IFAB C[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)Cn1ccc(C(F)(F)F)n1 36614557 BGHGEOSCFCNLOH-CYBMUJFWSA-N 430.452 2.643 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38834565 KQDWDDYBALZEOJ-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB Cc1ccc(CSCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 38837312 YXTLZEFUSRODOT-FQEVSTJZSA-N 434.583 2.880 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)ccc1OC)C(=O)OC 43746995 YQDYWYLIQHDLLL-YHJVDBJQSA-N 430.505 2.672 0 40 IFAB biogenic Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(-n3cnnn3)cc2)cs1 46552465 QYMKUYPVUPBPNX-UHFFFAOYSA-N 434.481 2.965 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 48324951 GRYJLPYGFYBDFQ-IRXDYDNUSA-N 448.539 2.602 0 40 IFAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2CCc3ccccc32)c1=O 57490905 RQKURJHMCOOUJM-UHFFFAOYSA-N 433.489 2.812 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(OC[C@@H]2CCCO2)c(OC)c1 58953584 RPIAZVSOEOPMDJ-KRWDZBQOSA-N 433.526 2.977 0 40 IFAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)c1 67235338 BERYUIVUIRLRPZ-UHFFFAOYSA-N 430.464 2.547 0 40 IFAB C[C@H]1CC(=O)NCCN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 71889435 RLHNRCQPNXGCNV-INIZCTEOSA-N 437.569 2.905 0 40 IFAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccccn4)CC3)n2)CC1 72335958 RRSZDUQAEGJBFQ-UHFFFAOYSA-N 443.573 2.531 0 40 IFAB O=c1cc([C@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2cccnc2)[nH]1 72393135 NHORCNFEONJTEK-FQEVSTJZSA-N 431.544 2.992 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ncccc3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 72405809 BCJVWYYVBTYSMP-MRXNPFEDSA-N 426.498 2.874 0 40 IFAB CCN(C)Cc1cccc(CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 84760877 FSRWKVMOAWPLPH-LJQANCHMSA-N 445.589 2.894 0 40 IFAB CC(C)c1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCOCC2)Cn2ccnc23)cc1 96243717 IAGPNQZDPFMWFR-JOCHJYFZSA-N 438.572 2.755 0 40 IFAB NC[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242543442 KABRPIILECQRPU-BBWFWOEESA-N 430.751 2.980 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC=CCN(CCc3ccccc3)C2=O)CC1 257259835 LAGOUVITXFKCPX-UHFFFAOYSA-N 442.585 2.829 0 40 IFAB COc1cccc(CN(C)CC(=O)N2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1 257260603 LDNOHDVHHORLTC-JOCHJYFZSA-N 448.527 2.656 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)c1 408557281 GHECLWLKSUOFQF-IBGZPJMESA-N 444.553 2.689 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2OC)c(Cl)c1 408557543 NMWFHSQIJITUKF-UHFFFAOYSA-N 426.922 2.732 0 40 IFAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1 408569142 IYQVQTXTJRRFDA-UHFFFAOYSA-N 435.480 2.720 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 408622230 MXXYMOOUBFLMRI-QGZVFWFLSA-N 449.548 2.548 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 408654399 BMWCUXMTRFSFPC-QDGJQWLKSA-N 446.459 2.802 0 40 IFAB O=C(CCCn1cncn1)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643560502 ULMNHMDPVZXAFG-DEOSSOPVSA-N 439.560 2.589 0 40 IFAB COCCC(=O)N1CCCCC2(COC)CCN(CC2)C(=O)c2ccccc2OCC1 643575211 KLASWWODNAZLFR-UHFFFAOYSA-N 432.561 2.983 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5cccs5)C4)nc32)cc1 1334323 QSWJSUKRCYJOBF-INIZCTEOSA-N 434.525 2.953 0 40 IFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 4057930 LCGZFQTWAUXXMJ-FQEVSTJZSA-N 445.560 2.791 0 40 IFAB Cc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c3=O)cc1 8849693 HLYHSFYXZUANCJ-UHFFFAOYSA-N 445.401 2.523 0 40 IFAB COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1 9123771 CMEDDVVCYRIKPQ-UHFFFAOYSA-N 431.496 2.722 0 40 IFAB COCc1c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)oc2ccccc12 9218405 YBNUIQDIUZOYFD-NRFANRHFSA-N 436.464 2.704 0 40 IFAB Cc1ccc2c(COC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc(=O)oc2c1 9284027 WXPNAWAKHBCPJH-HNNXBMFYSA-N 435.432 2.969 0 40 IFAB CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 9305145 NTPIXYPDINTBEX-UHFFFAOYSA-N 429.502 2.876 0 40 IFAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 9336651 NOQDBYHTFFHUOG-HNNXBMFYSA-N 444.586 2.960 0 40 IFAB O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9470994 QSDLWYYCKAJRJH-FQEVSTJZSA-N 441.553 2.919 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(=O)N3CCCC3)c2)cc1 9516978 XNYWVKPNXLXTIW-UHFFFAOYSA-N 445.541 2.547 0 40 IFAB COc1cc(OC)c(NS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1Cl 9606114 UYQFMDKDEYPMPF-UHFFFAOYSA-N 429.907 2.844 0 40 IFAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733503 GYUCITLZYJLOBZ-UHFFFAOYSA-N 443.978 2.764 0 40 IFAB Cc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)c1 9733559 QSSBMMRNUZNAOL-UHFFFAOYSA-N 437.587 2.727 0 40 IFAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 9755123 AFTBHERLKUESTK-CQSZACIVSA-N 432.498 2.760 0 40 IFAB CS(=O)(=O)Nc1cccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 10360966 NUYOQVDLIYCDPT-UHFFFAOYSA-N 430.530 2.618 0 40 IFAB Cn1c(=O)c2ccccc2n2c(CNc3ccccc3I)nnc12 11618239 XAYNQZOFIKNJAX-UHFFFAOYSA-N 431.237 2.798 0 40 IFAB COc1ccc(F)cc1C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 11642667 VTXFIHMYFVATOP-SFHVURJKSA-N 435.473 2.722 0 40 IFAB CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 11906526 QXYZOXOIGUEDLD-UHFFFAOYSA-N 431.333 2.572 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc(Cl)cc1 12071555 TTYRRHSHBOSQFJ-UHFFFAOYSA-N 425.851 2.864 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)cc1 12237645 VIKKXQPLLPFQIK-UHFFFAOYSA-N 431.452 2.706 0 40 IFAB COc1ccc(Cn2c(C)cn3c4c(=O)n(Cc5cccc(C)c5)c(=O)n(C)c4nc23)cc1 12547183 YYLZVRIXWACFGS-UHFFFAOYSA-N 443.507 2.871 0 40 IFAB O=C(NCCc1cn2ccccc2n1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12576949 IHZIWBSWXMXXMJ-AWEZNQCLSA-N 427.302 2.809 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(N)=O)n2CC(C)C)c1 12692145 NZWVXBDEZAWTKK-CQSZACIVSA-N 439.607 2.598 0 40 IFAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 13031644 ZVLFFMCQUKCUDU-GOSISDBHSA-N 449.598 2.853 0 40 IFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)COc2ccccc2CC)c(=O)[nH]c1=O 13072675 REOMRMQSLORQBP-UHFFFAOYSA-N 430.549 2.939 0 40 IFAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccccc2-c2ccccc2)c(=O)[nH]c1=O 14180972 YBSYRCOSSYFLMI-UHFFFAOYSA-N 436.512 2.879 0 40 IFAB C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@@H](C)O1 15188656 XUFWPLOWDHKXCA-GPCCPHFNSA-N 446.139 2.953 0 40 IFAB COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)CCC(=O)O)cc3)C2=O)cc1 17095783 AKHKHMIEPXUMIY-KRWDZBQOSA-N 428.466 2.923 0 40 IFAB Cc1nn(C[C@H](C)C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c(C)c1Br 17096282 KWAFYYMDIKJKKI-DXRPGJJCSA-N 429.212 2.706 0 40 IFAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 17907360 WOFQVNIYYFENMG-UHFFFAOYSA-N 436.946 2.734 0 40 IFAB COc1ccc2nc(NC3=NCN(CCc4ccc(OC)c(OC)c4)CN3)nc(C)c2c1 19330404 VAWMUYGEAURFSR-UHFFFAOYSA-N 436.516 2.795 0 40 IFAB CN(C(=O)CN1CCOCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 19586790 ZJTMAHSOPAUARW-UHFFFAOYSA-N 440.569 2.794 0 40 IFAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)NCCNc3ccccn3)cc21)c1ccccc1 19748435 HJRYNLATGDYDPL-OAQYLSRUSA-N 436.537 2.889 0 40 IFAB COc1ccc2c(C)c(CC(=O)NCC3(N4CCN(C)CC4)CCCCC3)c(=O)oc2c1 20622835 BKISNUFQJNJHDD-UHFFFAOYSA-N 441.572 2.719 0 40 IFAB O=C1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c2ccccc2N1 21009879 UOBNTXFDTWSZNM-AWEZNQCLSA-N 439.946 2.930 0 40 IFAB O=C(NCCCN1CCN(c2ncccn2)CC1)c1ccccc1C(=O)c1ccccc1 23895687 SLIWGGDJFTVQIU-UHFFFAOYSA-N 429.524 2.650 0 40 IFAB NC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1Cl 24285851 YUTMVVPSZKADCU-FQEVSTJZSA-N 442.947 2.995 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 24747421 ORBLAPVMCUETAD-UHFFFAOYSA-N 448.566 2.520 0 40 IFAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 24984761 UHVMLKFNIWZAAX-KXBFYZLASA-N 430.530 2.777 0 40 IFAB COc1ccc(N(CCC(N)=O)C(=O)CN2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 32774353 KSZLUNIXYGTMKA-OAQYLSRUSA-N 441.528 2.758 0 40 IFAB C[C@H](SCc1ccccc1)C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 40143383 PAPMAKVSWXHULF-UWJYYQICSA-N 426.538 2.819 0 40 IFAB CCOc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4OC)CC3)n2)cc1 54146947 CKZJEWQPKVUNMB-UHFFFAOYSA-N 435.532 2.927 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O 60211191 QIWAUTYWKSJSSY-WHEQGISXSA-N 433.553 2.855 0 40 IFAB COc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc1OC 64593467 ZSDCZZWVIDMAPD-UHFFFAOYSA-N 437.481 2.628 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 72377749 DAGMBGHIUIFQCA-OAHLLOKOSA-N 426.502 2.587 0 40 IFAB CCc1ncc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2cc(C)ccc2O3)cn1 72394420 CITJXPQNAKOUCV-UHFFFAOYSA-N 430.574 2.536 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccc(Cl)cc21 96232676 CAMJXVNPBWRSOB-KRWDZBQOSA-N 428.876 2.905 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2nnc(C)s2)cc1 138923817 GZIIWVRFCYZWQJ-UHFFFAOYSA-N 448.501 2.704 0 40 IFAB CCN(c1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1)S(=O)(=O)CC 222399344 CILDAJFKAMLEOI-UHFFFAOYSA-N 436.530 2.818 0 40 IFAB C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cccc(F)c1)S(C)(=O)=O 224627581 PQLYLWVAAZFABV-QGZVFWFLSA-N 434.533 2.845 0 40 IFAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225461639 AAKZZAATABBXFV-KRWDZBQOSA-N 449.548 2.534 0 40 IFAB Cc1ccccc1CN(C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)[C@@H](C)C(=O)NC(C)C 225491252 RZGJMBCDZRSFTO-SESVDKBCSA-N 439.556 2.578 0 40 IFAB COc1cc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c(OC)cc1Cl 225615834 GWEAAHMTQMDYFU-UHFFFAOYSA-N 430.885 2.897 0 40 IFAB CCn1cc(C(=O)N(C)[C@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@@H]2O)c(C)n1 257272276 NBTACDMJODUEFU-WPFOTENUSA-N 426.561 2.661 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)cc1 257334759 YHGVFINLKLKZQE-WXFUMESZSA-N 434.540 2.920 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1 260769591 PPDUTTSAMZYTKX-GOSISDBHSA-N 446.569 2.714 0 40 IFAB CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408598199 XXALCVNBMBYAFI-UHFFFAOYSA-N 432.542 2.756 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(OC)c1 408657804 PJULIZDSKGOIDC-WBVHZDCISA-N 426.469 2.795 0 40 IFAB O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 532266108 XMDNWFVUBYESJF-MIZPHKNDSA-N 429.524 2.749 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N(CCCCCC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1 575420297 AGVGSMGGJWQQNX-KRWDZBQOSA-N 431.576 2.633 0 40 IFAB CN(C[C@H]1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)CO1)[C@H]1CC[C@H](O)CC1 585104541 QADCGHFHNREWRI-YPAWHYETSA-N 436.618 2.623 0 40 IFAB COC(=O)c1ccc(CN[C@@H](C(=O)c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)o1 1547139322 NEQIKPQIVQWETC-SFHVURJKSA-N 427.409 2.756 0 40 IFAB biogenic COc1ccc(C(C)(C)NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)cc1F 1618176641 JIEVXYLMYJLWFX-LBPRGKRZSA-N 426.535 2.787 0 40 IFAB Cc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)s1 1848353543 RVGHCSCVFOBWEE-JOCHJYFZSA-N 440.613 2.772 0 40 IFAB O=C([C@H]1CN(c2ncc(C(F)(F)F)cc2Br)CCO1)N1CCSCC1 1888866241 HFFIWBPQGAYYOV-GFCCVEGCSA-N 440.285 2.644 0 40 IFAB COc1ccc(N[C@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)cc1 2056224284 UKYVWACMOBXKKT-MRXNPFEDSA-N 448.566 2.827 0 40 IFAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 3237700 XECBQNYKAPWXKP-OAHLLOKOSA-N 439.468 2.686 0 40 IFAB COc1cccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)c1 4791713 LWMRLGYHLPTJGJ-UHFFFAOYSA-N 446.301 2.558 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 9439718 UFZPXKXADZOIQX-UHFFFAOYSA-N 444.553 2.575 0 40 IFAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1C(=O)NCc1ccco1 9494687 FDYFLYDHEVIRDC-UHFFFAOYSA-N 438.484 2.793 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1cccc2ccccc12 9513120 RJDLWOJFSSXSOY-UHFFFAOYSA-N 443.550 2.987 0 40 IFAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 9713207 GQLJURMCIFTCAU-OAHLLOKOSA-N 427.464 2.956 0 40 IFAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2cccc(C)c2C)c1 9906169 QZSICYDOCLTDGV-UHFFFAOYSA-N 439.512 2.776 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9952863 SDNVAWXYXWMJBA-CYBMUJFWSA-N 426.589 2.584 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 10009228 VKYKOCAFYGFKSW-HXUWFJFHSA-N 445.541 2.772 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@@H]4CCCO4)o3)cc2)C1 10970722 LZDURJFBXFJCPQ-CPUCHLNUSA-N 434.518 2.840 0 40 IFAB COc1ccc(CCNC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1OC 12296987 CRQNESVLZZWBEL-UHFFFAOYSA-N 436.512 2.612 0 40 IFAB biogenic Cc1cc(NS(=O)(=O)c2ccc(N[C@H]3CC(=O)N(Cc4ccccc4)C3=O)cc2)no1 12595599 LHXVDNRMODRCLP-SFHVURJKSA-N 440.481 2.523 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1 12850796 FFXHBQJHUGPIKW-HNNXBMFYSA-N 431.436 2.780 0 40 IFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 12860151 KZVZUHSHNCOIQI-OAHLLOKOSA-N 448.516 2.875 0 40 IFAB COc1ccc(CC(=O)Nc2nc(C)c(-c3nnc(S)n3C)s2)c(OC)c1OC 12892104 PTOXDEHQYHORMC-UHFFFAOYSA-N 435.531 2.743 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 12895612 SAEOUZVBPRMCDJ-UHFFFAOYSA-N 429.498 2.711 0 40 IFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 13163587 KJXIRKBALBNSBW-FATZIPQQSA-N 439.468 2.651 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(Cl)cc1 13647017 RRBGYPRKXKTVEO-UHFFFAOYSA-N 439.965 2.612 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)CC1 14247852 TVNHYDMPLKGGJT-ZDUSSCGKSA-N 438.481 2.742 0 40 IFAB CCn1c(CCC(=O)Nc2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 16029539 IHBGYTTXKMENCN-UHFFFAOYSA-N 430.530 2.886 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 16293443 HJIIIAQHOJALJE-UHFFFAOYSA-N 439.493 2.912 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19348153 PSTQVYLDFCNKCH-FQEVSTJZSA-N 438.503 2.500 0 40 IFAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400137 JOXCOYBFMYXUIA-FQEVSTJZSA-N 435.528 2.607 0 40 IFAB CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)cc1 19458700 YLCQTVRZVARRAE-ZGNKEGEESA-N 440.540 2.973 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cn2ccnc2)CCO1 19529262 MZHSMOGPEQSOLN-HSZRJFAPSA-N 438.553 2.588 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)C(C)(C)OC)n1 19700957 BZLYUIPQIFHUON-CQSZACIVSA-N 429.496 2.561 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 22271275 UAFVTLSDKUZPSL-OAQYLSRUSA-N 428.510 2.884 0 40 IFAB COc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 22335845 VMQFTGGWMQQVGE-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB O=C(NCc1cccnc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 22381858 PALFEPNNXHMAIQ-QGZVFWFLSA-N 438.347 2.704 0 40 IFAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(CCO)CC3)c(O)n2n1 22626928 ORXKXHNMBNQVKV-HNNXBMFYSA-N 442.372 2.811 0 40 IFAB COC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c2ccccc12 26061928 YLGFRKRXBPLCIU-UHFFFAOYSA-N 427.482 2.507 0 40 IFAB NC(=O)[C@H]1CN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c2ccccc2O1 29357182 IIRXTESHUOJNPD-LJQANCHMSA-N 449.536 2.575 0 40 IFAB CN1C(=O)N(CC(=O)NCCc2ccc(Br)s2)C(=O)C12CCCCC2 32889148 XGXPRFHSXDFWMO-UHFFFAOYSA-N 428.352 2.766 0 40 IFAB CCCOc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1C 35594979 DNOVKPVTPFEEGT-OAQYLSRUSA-N 432.542 2.662 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN(C)CC(F)(F)F)cc1 40109008 GYLSECTZWYMLOT-HNNXBMFYSA-N 435.512 2.864 0 40 IFAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3ccc(C)c(C)c3)nn2)CC1 49406356 KKQKUFCZKYQJEI-UHFFFAOYSA-N 433.512 2.927 0 40 IFAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 49590137 DHRJYIWVUMSWDT-UHFFFAOYSA-N 448.523 2.978 0 40 IFAB NC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c2ccccc2O1 49643467 PNUCJYASGYPKPM-FDDCHVKYSA-N 443.503 2.972 0 40 IFAB CC(C)N(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1nc2ccccc2c(=O)[nH]1 58174281 LWLRGMOGMNGVEN-MRXNPFEDSA-N 433.512 2.897 0 40 IFAB Cn1c(SCc2nc(-c3cc(Br)cs3)no2)nnc1N1CCOCC1 59833655 LGYLOTUHBXNEFA-UHFFFAOYSA-N 443.352 2.818 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nc2c(s1)CCCCC2 61718514 DUAGQMPOMINUTI-HNNXBMFYSA-N 428.562 2.666 0 40 IFAB COc1ccccc1CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccnc2)cc1 67896699 QHOFNDCBRYAFMM-ZJSXRUAMSA-N 447.491 2.804 0 40 IFAB biogenic,in-vitro CN(CC(F)F)C1CCN(C(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc23)CC1 72301414 JRBKRGUMRJPOOE-SFHVURJKSA-N 436.528 2.871 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2-c2ccccn2)CC1 77199892 ROXPMPNQTQSLAH-UHFFFAOYSA-N 440.891 2.897 0 40 IFAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCC1(O)CCC2(CC1)OCCO2 78994091 XIALTKXMRDLOMG-UHFFFAOYSA-N 435.908 2.877 0 40 IFAB O=C(CCCN1C(=O)CNC1=O)NCc1ccc(-n2cnc3ccccc32)cc1Cl 89878693 JHWHDLYBHHIUSC-UHFFFAOYSA-N 425.876 2.627 0 40 IFAB COc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 216475535 CIGXTNSRGAJKEM-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1 219699395 NBMSDYMSVQSUCS-UHFFFAOYSA-N 448.932 2.978 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 220045476 CXFSQFQBKYPWOE-UHFFFAOYSA-N 430.404 2.517 0 40 IFAB CC(C)CSc1nnc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)s1 222985330 HQPUPWQFLNIVFL-UHFFFAOYSA-N 430.577 2.700 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223233390 RXRRNYAFVGHYLF-GOSISDBHSA-N 441.597 2.911 0 40 IFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 223671705 CEJSVTOZCBDDBF-UHFFFAOYSA-N 436.555 2.907 0 40 IFAB CCc1cc(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)ccc1OC 223780994 ZAZZXLXGOQDLRQ-UHFFFAOYSA-N 433.486 2.803 0 40 IFAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224308876 BIQHDLAVPKCHIL-INIZCTEOSA-N 436.505 2.573 0 40 IFAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224320475 OKKVVSAWLOPPTC-UHFFFAOYSA-N 443.551 2.794 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225508061 WPOHHIKYQLSLPQ-FQEVSTJZSA-N 438.553 2.898 0 40 IFAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570170 GAGUHELRKWMLGM-UHFFFAOYSA-N 441.553 2.524 0 40 IFAB C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225692349 AXRJLFXKLNACGJ-ZDUSSCGKSA-N 437.468 2.885 0 40 IFAB S=C(NCCN1CCOCC1)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 225903628 IMUKBMBLTAYQCU-UHFFFAOYSA-N 442.589 2.878 0 40 IFAB O=C1CCc2cc(S(=O)(=O)N3CCC(Oc4ccncc4Cl)CC3)cc3c2N1CC3 253473783 YKJKIXIJBXUDQA-UHFFFAOYSA-N 447.944 2.802 0 40 IFAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(C(=O)COCC(=O)O)CC[C@@H]3O[C@H]21 257207496 BHZZNHVYPHIRNH-WFNJMBFTSA-N 433.501 2.652 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408652373 CJRORNHQLIOVJI-XRJOUIEWSA-N 432.904 2.877 0 40 IFAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 409155853 DNDVDMRTSKWEJU-UHFFFAOYSA-N 443.504 2.553 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O 409266182 PBQUVYZOUCTWJZ-UHFFFAOYSA-N 433.530 2.630 0 40 IFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 522513072 AUZSPIVHIHSYSL-REWPJTCUSA-N 439.512 2.710 0 40 IFAB CC(C)CC(=O)N1CCN2CC(=O)Nc3cc(-c4cccnc4F)ccc3OC[C@H]2C1 1772594607 PFMAKVOIFKJEND-QGZVFWFLSA-N 426.492 2.778 0 40 IFAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2CCc2ccccc2)cc1 2622788 MZTYUFAKGCRTEX-CQSZACIVSA-N 425.514 2.872 0 40 IFAB CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)o1 2720232 NQGLQOSLNZHQOB-UHFFFAOYSA-N 444.538 2.932 0 40 IFAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1ccc(Cl)cc1 8943908 YZOZWGODAMSWCQ-UHFFFAOYSA-N 434.953 2.619 0 40 IFAB NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 9246253 OEKGUDNSRXJBKY-UHFFFAOYSA-N 427.457 2.759 0 40 IFAB O=C(CSc1nc2nccnc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cc1F 9405238 LSVSBQPSAVDJLX-LBPRGKRZSA-N 449.895 2.889 0 40 IFAB CCOC(=O)C1=C(COC(=O)/C=C/c2cc(Br)ccc2F)NC(=O)N[C@@H]1C 9467164 ZUNMKRODPVPJAK-LJJSCBMDSA-N 441.253 2.663 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnc3n2CCN3c2ccccc2)cc1OC 9573931 XFWZIHOIGCDRBP-UHFFFAOYSA-N 439.541 2.898 0 40 IFAB C[C@H]1CN(C(=O)CSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)C[C@H](C)O1 9595034 YQJLZKZZOXYWMM-RYUDHWBXSA-N 433.921 2.902 0 40 IFAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9605416 XCRSCEFHNNUALQ-CQSZACIVSA-N 440.525 2.736 0 40 IFAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9712304 FAKOYARPCLDTFI-SFHVURJKSA-N 435.571 2.545 0 40 IFAB CCOc1cc(N2CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)nc(C)n1 12224622 KZCUNSPAOOTZAR-UHFFFAOYSA-N 438.553 2.946 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(Cl)cc2)c2c(C(N)=O)nc(-c3ccco3)nc21 12276818 YJLSNAQPFSZBEL-UHFFFAOYSA-N 425.832 2.508 0 40 IFAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CNC(=O)c3cccs3)c2)cc1 12532570 SJGDBNISSJMPMU-UHFFFAOYSA-N 445.522 2.926 0 40 IFAB Cc1cccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1C 12947247 UDCAUZRKHQXTSD-FYWRMAATSA-N 429.542 2.681 0 40 IFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 13110120 CRQDCPAWQRHHGW-LLVKDONJSA-N 446.872 2.560 0 40 IFAB CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)cc1 13713634 ANQHJFYVUXARER-QNGOZBTKSA-N 449.532 2.837 0 40 IFAB CC(C)c1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)s1 13956685 GOQNMOYDEVNEAN-UHFFFAOYSA-N 449.537 2.590 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 14240438 WKFXKUJMNHNPAM-ZDUSSCGKSA-N 441.509 2.583 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 14247761 CSRQNDRBZJHOMK-GOSISDBHSA-N 445.585 2.526 0 40 IFAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 16046181 KOKYVNGXJJADPI-QHCPKHFHSA-N 441.459 2.808 0 40 IFAB CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 17307942 QAEFFNQJBWJOGI-UHFFFAOYSA-N 426.498 2.977 0 40 IFAB COc1ccc(C2(CN3CCC(NC(=O)C[C@@H]4CCS(=O)(=O)C4)CC3)CCCC2)cc1 19553764 WLCGPUSWQOIPKG-IBGZPJMESA-N 448.629 2.912 0 40 IFAB COc1cccc(CC(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c1 19584714 GBJYEJFKAJACTI-UHFFFAOYSA-N 432.528 2.957 0 40 IFAB Cc1cc(C)n(CCC(=O)N2CC[C@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)c(=O)n1 19704634 XVQDISPOZMXOKG-KRWDZBQOSA-N 439.491 2.708 0 40 IFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)C1(c3ccccc3)CCOCC1)C2 19708784 JKNJINJWAWHBEA-LJQANCHMSA-N 449.599 2.961 0 40 IFAB O=C(Nc1cccc(-n2cccn2)c1)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1 19751052 SPXRYYOBKCERLZ-UHFFFAOYSA-N 439.475 2.876 0 40 IFAB CN1c2cnc(Nc3ccc(Cn4cncn4)cc3)nc2-c2sccc2S1(=O)=O 19894262 APJMEMOQZSVFCF-UHFFFAOYSA-N 425.499 2.727 0 40 IFAB CCOc1ccccc1CNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 20454055 RQVBJRAPBIGTQE-UHFFFAOYSA-N 434.514 2.677 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2N2CCCC2)C1 22741433 YOXUAIJEBIFQJU-QGZVFWFLSA-N 432.546 2.931 0 40 IFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCN(C(=O)c3ccccc3)CC2)C1=O 25747418 SWVCZKUXYODOQT-JOCHJYFZSA-N 426.904 2.523 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)cc3C)CC2=O)c1 31066026 QUKXJXLUWYCBNE-INIZCTEOSA-N 426.469 2.855 0 40 IFAB COc1cc(Cl)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1OC 40155165 IJUFZAZFCWJOCX-UHFFFAOYSA-N 436.873 2.916 0 40 IFAB COc1cccc(-c2ccc(=O)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)n2)c1 41254132 MFBXRMABFBHDGN-UHFFFAOYSA-N 437.496 2.685 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 44904670 LBOCQEZAMQFTGK-QZTJIDSGSA-N 427.636 2.920 0 40 IFAB CCOC(=O)c1sc2nc(CN3CCN(c4ccccc4OC)CC3)[nH]c(=O)c2c1C 58165234 KVJAYKBTKZQHHM-UHFFFAOYSA-N 442.541 2.801 0 40 IFAB O=C(NCC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1c[nH]c2ccccc2c1=O 71824276 UYRDIGCCJNYEJZ-HSZRJFAPSA-N 426.476 2.691 0 40 IFAB CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 78802957 MQCYXOXIPVPOLG-OAQYLSRUSA-N 441.597 2.923 0 40 IFAB CC[C@](C)(CC(=O)OC)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 79001318 XPLMHZWGWUPMHQ-OAQYLSRUSA-N 436.530 2.627 0 40 IFAB C[C@H]1CCc2c(sc3ncnc(N[C@H](Cc4ccccc4)C(=O)NCCC(N)=O)c23)C1 95443211 KIIUGZNGHBOIFD-WMLDXEAASA-N 437.569 2.831 0 40 IFAB Cc1cnc(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 96002235 GSSMJRKJNWLLPQ-UHFFFAOYSA-N 439.541 2.807 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1C 96287048 QRKHBFAMMHEZTB-NXHRZFHOSA-N 449.573 2.528 0 40 IFAB COCc1ccc(OC)c(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cnc(OC)nc2OC)c1 100149622 AZLMYHRTRNLUCM-RTBURBONSA-N 443.544 2.769 0 40 IFAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1 113307651 PMRLJSGWFLCNEF-KBPBESRZSA-N 428.279 2.545 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(=O)oc2c1 208171468 YGEOJCOSVJBNDW-DLBZAZTESA-N 434.492 2.850 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220137114 QNQDPTCZQVTIDN-QGZVFWFLSA-N 447.557 2.555 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223028058 CWZYOUMTMUKCBA-NRFANRHFSA-N 445.585 2.623 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 223033959 ADHAXUZXPVOAQX-INIZCTEOSA-N 448.541 2.524 0 40 IFAB CCc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1 223691532 GDKQHWKFTNFJDP-UHFFFAOYSA-N 430.570 2.880 0 40 IFAB CN1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2)CC1 224250265 SGIYQWYMXIXHCM-UHFFFAOYSA-N 440.569 2.538 0 40 IFAB COc1ccc(OCCNC(=O)CCCN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 224851045 ZCUJRMOTSNOVOZ-UHFFFAOYSA-N 448.541 2.639 0 40 IFAB CN(C)c1cccc(C(=O)N[C@@H]2CCOC[C@@]23CC(C(=O)Nc2cccc(F)c2)=NO3)c1 306143700 YJSWRPZTZCILHW-OFNKIYASSA-N 440.475 2.564 0 40 IFAB Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 408614995 KPBYQYHJHJKYHU-HXUWFJFHSA-N 435.524 2.666 0 40 IFAB COC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3cccc(NC(C)=O)c3)n2)c1 408638308 RBBRYDMPPVBJEC-UHFFFAOYSA-N 425.470 2.948 0 40 IFAB CNC(=O)NC[C@H]1CN(C(=O)NCc2ccccc2COc2ccccc2Cl)CCO1 1564039408 GCGHTDKWRNAXGR-SFHVURJKSA-N 446.935 2.758 0 40 IFAB CN(C(=O)[C@H]1C[C@@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2)c1cccc(F)c1 2056225884 DWDLPANZUPSIPM-BEFAXECRSA-N 440.397 2.662 0 40 IFAB Cc1cccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccsc4c3=O)CC2)c1C 2690023 KTIRCNXNDYTWDU-UHFFFAOYSA-N 440.569 2.887 0 40 IFAB CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1=O 3413352 VNLRWDUILBCDQZ-UHFFFAOYSA-N 441.871 2.956 0 40 IFAB COC(=O)C[C@H]1CN=N[C@@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 6142461 FFNWZUULGQZUMN-PGRDOPGGSA-N 425.441 2.998 0 40 IFAB O=C(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12)C1CCCCC1 8296165 QLACUKYQQGKACW-UWHLTILDSA-N 426.492 2.926 0 40 IFAB biogenic,in-vitro Cc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O 8667674 GKFNYGJCTMKNTC-UHFFFAOYSA-N 445.269 2.926 0 40 IFAB Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 8704213 CNJSCSHZOCDKBN-LJQANCHMSA-N 448.571 2.861 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 8921271 AUGSMCADSQQDSH-WMZOPIPTSA-N 427.844 2.646 0 40 IFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2N)c(=O)n(-c2ccccc2)n1C 9335745 VGRNMOWANMVABU-CYBMUJFWSA-N 428.876 2.904 0 40 IFAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(=O)n2ccsc2n1 9417496 USJPEFOEWYHEJW-QHCPKHFHSA-N 430.489 2.946 0 40 IFAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)cc2NC1=O 9496988 FVTIFIZABXLVIS-JSGCOSHPSA-N 432.523 2.938 0 40 IFAB CC(C)(Cc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 9519420 QWBPNZKTEGVGJK-UHFFFAOYSA-N 447.535 2.820 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)ccc3O)n2C)cc1 9583045 BUYGCAJDTKRVJO-UHFFFAOYSA-N 441.513 2.750 0 40 IFAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9737463 OBXIPPYVPHKLAS-UHFFFAOYSA-N 445.526 2.647 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1cccc(C)c1 9761583 IEFZSKHTDFSBTM-UHFFFAOYSA-N 428.466 2.794 0 40 IFAB Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 9860695 JHMUMASOYFUPKC-WOJBJXKFSA-N 443.594 2.956 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 10231931 GWIUCWUFYGTSAI-INIZCTEOSA-N 440.803 2.560 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21)c1cc2ccccc2o1 12071775 GPRIXALOULBCOA-UHFFFAOYSA-N 431.427 2.957 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccncc3)C2)cc1 12115933 RFDWAVWPEDFHTO-QGZVFWFLSA-N 425.514 2.998 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC[C@H](Cn3cc(C(=O)NCc4ccccc4F)nn3)C2)o1 12185766 AUESOLUGOWMLEJ-INIZCTEOSA-N 440.479 2.504 0 40 IFAB O=C1C[C@@H](C(=O)Nc2ccccc2F)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 12408211 DGIVXIYMZIBLJI-OAHLLOKOSA-N 433.443 2.536 0 40 IFAB C[C@@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)OCCO2 12569100 GHXPKBUCSXBAKB-OAHLLOKOSA-N 445.479 2.690 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 12772411 MADIYNMVPMZSIP-UHFFFAOYSA-N 441.322 2.664 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2)n1 12782894 LFGZVWDUDYKXQN-QHCPKHFHSA-N 446.507 2.614 0 40 IFAB CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12911209 AAJHOEQMTSTUJP-UHFFFAOYSA-N 444.553 2.907 0 40 IFAB Cc1cc(=O)n2nc(COC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)sc2n1 13028846 VAOKMCIPUIIFGW-GOSISDBHSA-N 448.504 2.544 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc2n(Cc3ccc(C)cc3)c3ccccc3n12 13084121 LODGUDVRWKQEKG-UHFFFAOYSA-N 437.525 2.812 0 40 IFAB CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 14135496 MRFCBZMDTGOIHL-UHFFFAOYSA-N 435.977 2.695 0 40 IFAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1 16046763 UNCQBGSRDUHOFE-NRFANRHFSA-N 434.471 2.961 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 16692663 WYXPFGRPUDTQTL-UHFFFAOYSA-N 439.921 2.956 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)ccc21 16811451 SBXFESYFVAPMQM-CQSZACIVSA-N 445.475 2.680 0 40 IFAB CC(C)(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)C4CCC4)nn3c2O)C1 19081553 YEGIKPSMSNOURW-GOSISDBHSA-N 425.533 2.829 0 40 IFAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NC[C@H]2OCCc3ccccc32)cc1Cl 19214405 LDFOQFAOXWEIPP-SONOPUAISA-N 434.945 2.766 0 40 IFAB CN(C)c1ccc(CC(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1 19288979 VBYTUGDYFHVNEM-UHFFFAOYSA-N 432.572 2.871 0 40 IFAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2nnc(N)s2)C1 19331567 CUGZZUVQRYECLL-OAQYLSRUSA-N 441.582 2.728 0 40 IFAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)Nc1ccccc1-c1ccccc1 19374324 CSDREIHYOPQNJU-UHFFFAOYSA-N 436.475 2.920 0 40 IFAB CNc1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19592379 RWMPBYOBDQZTDK-GHTZIAJQSA-N 426.540 2.828 0 40 IFAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 22061416 TYPQAADYRPDMBK-UHFFFAOYSA-N 428.554 2.949 0 40 IFAB CCCn1c(S[C@@H](C)C(=O)N2CCOCC2)nc2ccc(Br)cc2c1=O 23077704 RJTDVZNPDSEXTN-LBPRGKRZSA-N 440.363 2.908 0 40 IFAB O=C(CN(Cc1ccc(F)cc1)C1CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23762404 PHSFHOUBZGUMHN-UHFFFAOYSA-N 425.504 2.863 0 40 IFAB CCOc1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 31323957 XYFUNIAZAKSSDM-UHFFFAOYSA-N 443.569 2.686 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC 32797360 JENHPCLMGXMUQO-GOSISDBHSA-N 441.576 2.753 0 40 IFAB O=C1Nc2ccccc2/C1=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 33662840 DHODWVJCTVYWEF-PGVNHDJNSA-N 436.496 2.688 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 36047882 NKUBYPJAQAXWAD-UHFFFAOYSA-N 427.448 2.894 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38848961 AHFKNNBRIVGWGY-OAQYLSRUSA-N 446.569 2.879 0 40 IFAB CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1nc2nccc(C)n2n1 40059973 GDCFWWZGVSHSTF-UHFFFAOYSA-N 445.549 2.537 0 40 IFAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 56906386 WSYMPVTYALUIDZ-UHFFFAOYSA-N 439.285 2.821 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(COCC(F)(F)F)cc2)C1 58405648 XYFFPZQUHSNVCE-QGZVFWFLSA-N 444.450 2.639 0 40 IFAB CCS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 63642976 NVLJAKWEGGTVSI-UHFFFAOYSA-N 443.521 2.987 0 40 IFAB CN(C(=O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)c1ccccc1 67197258 LLUQYEQPJWNUCR-UHFFFAOYSA-N 438.285 2.984 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC 67286453 XDXIUQCIYZKQQN-IBGZPJMESA-N 447.532 2.615 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1 70901128 CLMQCYVEDKWLMZ-UHFFFAOYSA-N 436.468 2.586 0 40 IFAB O=C(NCCn1nc([C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)c2cccnc21)C1CC1 72344702 LRFBNPRTESFICY-MOPGFXCFSA-N 439.560 2.623 0 40 IFAB CSc1nc(O)nc(C)c1C(=O)NCC(=O)Nc1ccc(Br)cc1C 78985003 GDQQJBHXFNDAOU-UHFFFAOYSA-N 425.308 2.652 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ncnc3c2cnn3C)CC1 95947356 XZZGFXWXDOKQLG-ZDUSSCGKSA-N 433.438 2.531 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccco3)CC2)Nc2ccccc21 100117634 HXLRSHTYWMWOBI-KPEVFZTJSA-N 434.540 2.912 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 103949122 PULUHJFNAOMXCH-SOLBZPMBSA-N 427.998 2.587 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1 220044374 NHGPRLOUAFFSIE-UHFFFAOYSA-N 430.404 2.881 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 220213419 PCJJMKPFFYSQKE-AWEZNQCLSA-N 442.559 2.501 0 40 IFAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)c1 222622109 UIYPDTXASLQTMA-UHFFFAOYSA-N 436.505 2.907 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2cccc3ccccc23)cc1 223576788 ZJIRCVZFHPAGHW-UHFFFAOYSA-N 428.510 2.664 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)s1 225163622 DTFCKTQOTHJSGK-ZDUSSCGKSA-N 428.561 2.514 0 40 IFAB CN(C[C@@]1(O)CCCN(c2ccc(F)cn2)C1)C(=O)CCCc1nc2ccccc2n1C 257232939 GNAUKJBZZWZJRG-DEOSSOPVSA-N 439.535 2.920 0 40 IFAB CC(C)c1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257246912 IWLYVRWCSBXYAE-MQSCRBSSSA-N 428.577 2.622 0 40 IFAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CCN4C(=O)CCC4=O)CC3)n2n1 257339183 ZAOSWJNMSCCBFA-QAQDUYKDSA-N 439.560 2.956 0 40 IFAB CC(C)N1CC2(CCN(C(=O)c3ccncc3)CC2)COc2ccccc2S1(=O)=O 306137811 RHEVDDFNYDRBJH-UHFFFAOYSA-N 429.542 2.796 0 40 IFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 408650043 AGOIQPBQIMGGJV-VQIMIIECSA-N 438.480 2.637 0 40 IFAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)c1OCC(=O)O 409213968 VPGPXZBPZBRUML-ZENNRRHLSA-N 437.470 2.927 0 40 IFAB O=C([C@H](Cc1ccccc1)n1cccc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 575443043 DUMUSKBDAVFROW-QFIPXVFZSA-N 444.601 2.537 0 40 IFAB Cc1ccccc1N1CCC(O)(CNC[C@]2(O)CCN(c3ccnc4cccnc34)C2)CC1 585283883 PMFBDLNIPGYAJW-AREMUKBSSA-N 447.583 2.501 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cc[nH]n3)[C@@H]21 604406290 DBGYYOORNGJZOE-OAQYLSRUSA-N 447.451 2.571 0 40 IFAB biogenic C[C@H]1COCCCCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C(=O)N[C@@H](C)C(=O)N1 643565120 SRFSHNHGEMPQTJ-IRXDYDNUSA-N 449.979 2.772 0 40 IFAB Cc1cc(C(=O)NCc2cnc3n2CCCC3)cc(C(=O)NCc2cnc3n2CCCC3)c1 644110959 QPUCDANFCAGVED-UHFFFAOYSA-N 446.555 2.921 0 40 IFAB Cc1cc2n(n1)C1(CCN(Cc3ccc(S(C)(=O)=O)cc3)CC1)CC(=O)N2CC1CC1 1772596565 UACQLXMMBKYLCZ-UHFFFAOYSA-N 442.585 2.733 0 40 IFAB COc1ccc(CN[C@@H]2C[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2c2cnc(-c3ccccc3)[nH]2)cc1 2332241829 OZTDGUOQBBJNMB-XWVZOOPGSA-N 446.551 2.987 0 40 IFAB O=C(CS(=O)(=O)c1ccc(Br)cc1)Nc1nnc(C(F)(F)F)s1 1397850 GVRHSCBFRBVUHA-UHFFFAOYSA-N 430.227 2.732 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2 2359718 VBMHLKGNVOJCNA-UHFFFAOYSA-N 430.526 2.687 0 40 IFAB COc1ccc(NC(=O)C[S@](=O)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 4356180 HICMRBUYSYAQRE-LJAQVGFWSA-N 428.432 2.718 0 40 IFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCC1=Cc2ccccc2S1(=O)=O 5240331 UILOLDADSJLWEJ-SFHVURJKSA-N 426.450 2.718 0 40 IFAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)c5cccs5)CO[C@H]34)n2)cc1 5433751 FWZFXYSMMABBHF-RAUXBKROSA-N 438.509 2.590 0 40 IFAB biogenic,in-vitro CC(C)NC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(F)cc4F)ccc3NC(=O)[C@H]12 8296871 BACFDOMRGROVHC-OALUTQOASA-N 428.439 2.875 0 40 IFAB biogenic,in-vitro NS(=O)(=O)c1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 9244396 IUFHZXPEJNGCNO-UHFFFAOYSA-N 425.466 2.604 0 40 IFAB O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)OCCO2 9439539 ASWVRANROMAMAI-UHFFFAOYSA-N 433.511 2.705 0 40 IFAB CC(C)C[C@H](C(=O)OCC(=O)c1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O 9441018 BJPQKHXLTZLRRB-GOSISDBHSA-N 437.448 2.895 0 40 IFAB COc1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)cc1S(=O)(=O)N1CCOCC1 9502439 NLQPETYCJIQZLU-GJZGRUSLSA-N 446.525 2.853 0 40 IFAB O=C(CSc1nnc(Cc2ccccc2)o1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9579172 MZAXUTKEXWOWEA-QGZVFWFLSA-N 435.571 2.711 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccco2)c1 9632039 HLHJUANOLRPDSK-JXMROGBWSA-N 433.530 2.799 0 40 IFAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713359 WEZXSEZPULVWNZ-UHFFFAOYSA-N 447.470 2.981 0 40 IFAB O=C(COc1ccc(F)cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 9853696 TVIFRHZNHJRDEF-UHFFFAOYSA-N 432.926 2.889 0 40 IFAB CC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1C 10337426 SNACZRSNMKGRMC-UHFFFAOYSA-N 425.507 2.833 0 40 IFAB CCN(Cc1ccccc1)C(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086584 JFBGMYWDCYZMCC-RUZDIDTESA-N 435.524 2.609 0 40 IFAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 12229938 WKUZFLOMYMRPCI-GOSISDBHSA-N 425.510 2.848 0 40 IFAB Cc1nn(-c2nc3c(c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n3C)n2C)c(C)c1C 12231945 HQRGCJWRTODFGA-UHFFFAOYSA-N 447.326 2.900 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccco1 12233404 AITPOBPTNFRFQS-CQSZACIVSA-N 425.445 2.668 0 40 IFAB COCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c1 12604572 LNWYJHXUSDRBMV-UHFFFAOYSA-N 443.319 2.635 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1 12822101 XBSJZSYYWDNUEJ-UHFFFAOYSA-N 449.920 2.730 0 40 IFAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12868365 PALIYNCVHMUMAU-AWNIVKPZSA-N 448.928 2.870 0 40 IFAB COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 13022382 QPWKGTLZRVGIKG-UHFFFAOYSA-N 448.541 2.824 0 40 IFAB COc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1S(=O)(=O)NC1CCCC1 13092175 UBBBWITZXQZASW-UHFFFAOYSA-N 432.498 2.544 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N[C@@H]1CCSc2ccc(F)cc21 14184633 KZCDXMVLYSBDBD-OPAMFIHVSA-N 441.484 2.709 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 14233791 PKSNHCBRZWQYJY-LPHOPBHVSA-N 437.496 2.872 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14401257 KIIOEAXEVSZONO-INIZCTEOSA-N 447.557 2.624 0 40 IFAB CCCCN(C(=O)COC(=O)c1ccc2c3c(cccc13)CC2)[C@H]1CCS(=O)(=O)C1 14703023 BAALADWPQJUFSR-SFHVURJKSA-N 429.538 2.911 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccccc1Cl 16011904 ZBMSHHNCKGMYTQ-RQXXJAGISA-N 425.847 2.910 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Br)c2)cc1OC 16188349 LVNCBLLEXAIZRR-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB CN(CCOc1ccc(Cl)cc1)CC(=O)NCc1ccc(CN2CCOCC2)cc1 16699263 GLXQWIMSGBEWFJ-UHFFFAOYSA-N 431.964 2.799 0 40 IFAB Cc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 19235115 WCNVWZNWERLDCM-WZONZLPQSA-N 429.586 2.561 0 40 IFAB Cc1nc(N2CCOCC2)sc1C(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 19560781 YIRWFMNSZAWZRU-UHFFFAOYSA-N 440.529 2.753 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2Cc1ccccc1 19743698 MLJOXSRFQDDFAW-GOSISDBHSA-N 430.512 2.628 0 40 IFAB CCN(CC(=O)NC(C)(C)C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 22240789 MKDQLSSZCPELFR-OAHLLOKOSA-N 428.455 2.529 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 22333811 PBLDHUYKALAPAN-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)c2)cc1F 22612535 SQXSMLQCZIKLNK-IAGOWNOFSA-N 449.548 2.774 0 40 IFAB O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)Nc1cccc2ccccc12 22926488 AKJUGHKYNUHQLL-UHFFFAOYSA-N 433.537 2.666 0 40 IFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 24761177 CHDDOQBFQAKASW-KSSFIOAISA-N 443.978 2.517 0 40 IFAB CCOc1ccc(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F 28304833 JPVWJCCYFVWLEK-UHFFFAOYSA-N 448.472 2.800 0 40 IFAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cccc2c1=O 29189597 BBHIPUKIPFEKMT-QGZVFWFLSA-N 440.521 2.922 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccccc2-n2nc(C)cc2C)c1 31535322 DENQUPXXGHSBMT-UHFFFAOYSA-N 443.481 2.863 0 40 IFAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 31668129 GDNDSNUWXCPQDM-OAHLLOKOSA-N 449.485 2.500 0 40 IFAB COc1cc(CNC(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)ccc1OC(F)F 32740907 IBKGXDLZFPBZCV-GOSISDBHSA-N 442.484 2.916 0 40 IFAB CSCC[C@@H](NC(=O)CCNS(=O)(=O)c1cccs1)c1nc2ccccc2[nH]1 32990908 FSGHUAMCRVHBIP-OAHLLOKOSA-N 438.600 2.903 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44912208 PFMZTSWWIZEAQR-IBGZPJMESA-N 432.498 2.728 0 40 IFAB COc1ccc(CN(Cc2nc(Cc3ccccc3)no2)[C@@H]2CCS(=O)(=O)C2)cc1 48326543 GVOZDFUUPMXCGP-LJQANCHMSA-N 427.526 2.858 0 40 IFAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccccc3C(=O)OCC)c3ccccc3n12 57522670 GYRXTDAABPHUPH-UHFFFAOYSA-N 433.468 2.812 0 40 IFAB COc1ccccc1S(=O)(=O)N(Cc1ccc2c(c1)CCO2)C1CCN(C(C)=O)CC1 58051421 YGMQTAUNFRABLI-UHFFFAOYSA-N 444.553 2.832 0 40 IFAB CN(CCCNC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)S(C)(=O)=O 58289644 JXOIRSIPEQHVGV-UHFFFAOYSA-N 428.530 2.748 0 40 IFAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccccc1OC 60388144 GJRUAKLVRWQVPY-KRWDZBQOSA-N 429.469 2.780 0 40 IFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)c1Cl 72289516 MDQAGVIRVRKKJF-FRRDWIJNSA-N 436.405 2.998 0 40 IFAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)CCCN3C(=O)CNC3=O)n2)sc1C 72375407 YTGMWMOVCJXJDW-INIZCTEOSA-N 442.545 2.894 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 79473817 YQFUNQNKSHRDMI-KRWDZBQOSA-N 426.517 2.558 0 40 IFAB O=C(CN(C1CC1)S(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc(F)c(F)c1 89834897 NEQWFULYNYFQCZ-IBGZPJMESA-N 449.523 2.972 0 40 IFAB CC(=O)N(C[C@@H](O)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100113924 SDVHDVJKYTZOBK-ZWKOTPCHSA-N 431.286 2.663 0 40 IFAB C[C@H]1Oc2ccccc2N(CC(=O)N2[C@H]3CC[C@H]2CC2(C3)NC(=O)c3ccccc3N2)C1=O 100208356 DDVGSGUDKHVLAD-IKGGRYGDSA-N 446.507 2.506 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCCC5)C4)nn3c(O)c2C1 100234553 NRJPIIRLMDOQFH-QGZVFWFLSA-N 437.544 2.626 0 40 IFAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102957133 KVAPTMPALFFXED-HOTGVXAUSA-N 425.437 2.994 0 40 IFAB C[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 105630997 KMHFOMIMTGFSRX-UKTARXLSSA-N 428.938 2.897 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccc(C)cc2)no1)N(c1ccccc1)S(C)(=O)=O 219088954 CHLIOCKWCZYAPX-SFHVURJKSA-N 428.514 2.906 0 40 IFAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCc2ccccc2OC)S1(=O)=O 219194724 GEHUJHUXJFQDBM-UHFFFAOYSA-N 446.525 2.930 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1 222858002 DXVDAOOAOZVRFY-AWEZNQCLSA-N 435.318 3.000 0 40 IFAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 223051154 TYGNXEZXSCRJMB-UHFFFAOYSA-N 432.477 2.792 0 40 IFAB CCn1nc(C)c(NS(=O)(=O)c2ccc(OCC(=O)OC)c(Br)c2)c1C 226686368 JKGXBBPNDGAALF-UHFFFAOYSA-N 446.323 2.635 0 40 IFAB C[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)C1 253376123 SCCAHMZDCIOURH-DOQJBMMISA-N 432.952 2.851 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(O)c(OC)c1 409060511 WWKIZYOFHMAATI-YBEGLDIGSA-N 428.466 2.557 0 40 IFAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)c1 409341769 FMAKLPHZVRZUTA-VCHYOVAHSA-N 439.493 2.843 0 40 IFAB CC(C)(C)N1C[C@@H](NC(=O)CC2(N3Cc4ccccc4C3=O)CCSCC2)CC1=O 1565524742 MYHAVKYZBZRYDC-KRWDZBQOSA-N 429.586 2.814 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@H]2CCN(c3ncccc3F)CC[C@H]2C1 2056224723 RMOZBIKUADMQIY-IYBDPMFKSA-N 433.505 2.529 0 40 IFAB O=C1C[C@H](CN2C(=O)NC3(CCSCC3)C2=O)CN1Cc1ccc(F)c(Cl)c1 2298049580 BITBGABDAWVVGJ-ZDUSSCGKSA-N 425.913 2.645 0 40 IFAB CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 815619 XTGDGWQSXVGNRL-IBGZPJMESA-N 445.541 2.991 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 2657302 ZNMADMSPOIFMEC-NRFANRHFSA-N 429.542 2.705 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1 3327546 KFXGGKWJUDLCRB-MRXNPFEDSA-N 440.518 2.636 0 40 IFAB CC(=O)N1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2OCC(F)(F)F)CC1 4057776 PYXHXQWNYYLCDE-UHFFFAOYSA-N 427.345 2.749 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 9262379 KKVZZSIOGWDQOG-UHFFFAOYSA-N 432.531 2.501 0 40 IFAB CCOc1ccc(-c2nc(SCc3cccnc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 9517538 JNMOFUDDNXQIRR-UHFFFAOYSA-N 435.509 2.780 0 40 IFAB COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCCC2 9632697 MVXWVCPXAALLQK-UHFFFAOYSA-N 448.522 2.587 0 40 IFAB Cc1ccccc1COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CO)cc1=O 11027723 CROISHHKCPJMKP-UHFFFAOYSA-N 436.464 2.638 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccncc2)cc1 11151985 HISGEYNEFSOATK-SFHVURJKSA-N 425.514 2.725 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)cc2)c2c(C(N)=O)nc(-c3cccc(OC)c3)nc21 12251445 XULUIHPHSXWKNN-UHFFFAOYSA-N 445.479 2.579 0 40 IFAB O=C1C[C@H](C(=O)Nc2ccccc2F)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 12408212 DGIVXIYMZIBLJI-HNNXBMFYSA-N 433.443 2.536 0 40 IFAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(C(=O)c2ccco2)CC1 12631086 WXGPBWASBYTIMY-HNNXBMFYSA-N 441.509 2.738 0 40 IFAB COc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 12870665 CBPVVZZXBRBHJH-UHFFFAOYSA-N 429.951 2.626 0 40 IFAB COC(=O)c1sc(S(=O)(=O)NCc2ccccc2OC(F)F)c(C(=O)OC)c1C 13008190 CVZUAWXGWYEIRX-UHFFFAOYSA-N 449.453 2.710 0 40 IFAB CC(C)NC(=O)Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21 13082951 OARHUKFJDQSFFO-UHFFFAOYSA-N 437.525 2.638 0 40 IFAB CCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 13757615 VLIRQRLFCISIEE-SFHVURJKSA-N 433.526 2.932 0 40 IFAB COc1cccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)c1 16992870 HAYCGNVYOOTRMJ-MRXNPFEDSA-N 440.525 2.667 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 17970786 XAFOMNVTBUDACH-KRWDZBQOSA-N 432.542 2.526 0 40 IFAB CCOC(=O)c1ccc(-n2nnnc2[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 19798448 OTOFEJCTKSBMES-LJQANCHMSA-N 427.892 2.914 0 40 IFAB Cc1cccc2cc(CN(CCCN3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c12 19822759 DZTULODJHYRDQX-UHFFFAOYSA-N 430.618 2.891 0 40 IFAB COc1cccc(NC(=O)CCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 20744986 LPDZJMGUWLQLIZ-UHFFFAOYSA-N 434.496 2.880 0 40 IFAB Cc1ccc(NCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(Br)c1 21390945 FLESKRVFZZAFJL-UHFFFAOYSA-N 440.363 2.736 0 40 IFAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 23411661 WFGLEYDWCYXWTG-OAQYLSRUSA-N 433.512 2.593 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 24611491 JJAHDRAHRXFMRR-UHFFFAOYSA-N 430.526 2.947 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C(C)C)c1 27676165 FUTDVGCLRMYCNB-ICSRJNTNSA-N 433.574 2.939 0 40 IFAB O=C(NCc1cccc(N2CCCC2=O)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 32311089 DUARRDCMHFQQPA-UHFFFAOYSA-N 441.553 2.531 0 40 IFAB Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 32752839 PCMWYUDMCIIHKC-CQSZACIVSA-N 439.921 2.547 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 34857777 SZQPBJPYZSIVNV-XMSQKQJNSA-N 429.586 2.841 0 40 IFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c(C)c1C 35292636 ACOAQXJDGSSSAF-OAQYLSRUSA-N 429.586 2.762 0 40 IFAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccnn1C1CCCC1 35388108 DRILFDOKYIWJHE-GZTJUZNOSA-N 443.573 2.555 0 40 IFAB Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)n1 40060338 APFMTSCABRUSPJ-UHFFFAOYSA-N 432.546 2.731 0 40 IFAB COc1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1NC(=O)OC(C)(C)C 40120309 JRXOYJVQGSQJCU-AWEZNQCLSA-N 442.538 2.588 0 40 IFAB CN1CCN(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)CC1 44913730 ZAXHFPSPGALMPY-UHFFFAOYSA-N 427.420 2.959 0 40 IFAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 46814613 QQDSRMPYFGQYFY-UHFFFAOYSA-N 442.541 2.921 0 40 IFAB O=C(CCCNC(=O)c1cccs1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 58180397 YIHIOQYHRBJIFM-UHFFFAOYSA-N 435.509 2.755 0 40 IFAB COc1ccc(OCc2nc(CN3CCN(CC(=O)N4CCCCC4)CC3)cs2)cc1 58218853 KKFJOULUDLKMHT-UHFFFAOYSA-N 444.601 2.861 0 40 IFAB COCc1cccc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c1 58970052 MWEROBAGXIMMNZ-HXUWFJFHSA-N 426.513 2.558 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c(OC)c1 67226060 QOMXNKONVJRKPU-ZDUSSCGKSA-N 443.529 2.745 0 40 IFAB CCOC(=O)[C@@H]1CN(CCCCOc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 72334290 DKVCBIRWDIWIOX-OFVILXPXSA-N 438.524 2.902 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351737 BXBYVONCSVQTCJ-DHIUTWEWSA-N 448.567 2.607 0 40 IFAB COCCCN1C[C@H](C(=O)N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)CC1=O 72374291 MPBUSUJHTHQRKY-LJQANCHMSA-N 437.544 2.811 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1cccc3ccccc13)O2 223553089 FBVDDYBOAMNYJL-QFIPXVFZSA-N 440.521 2.870 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 223662301 IFHLVPIQGFEVLH-UHFFFAOYSA-N 446.447 2.675 0 40 IFAB Cc1cccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1C 223946371 JPNQKFOAMOYVQB-LJQANCHMSA-N 438.933 2.679 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c(C)c1 224187957 CAFWCPJUJPHUIY-UHFFFAOYSA-N 433.574 2.728 0 40 IFAB C[C@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224508884 SERNBCUYYCNDJW-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 226071937 LDPMVYQHJCQPSI-UHFFFAOYSA-N 430.526 2.832 0 40 IFAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)n1 257204857 AWOMABAUDKETEC-HSZRJFAPSA-N 444.539 2.782 0 40 IFAB COc1ccccc1-c1cc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)n[nH]1 390828198 AHBAYLGTQZRAFG-UHFFFAOYSA-N 436.497 2.729 0 40 IFAB O=C1NC2(CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)[C@H]2CN(CC3CC3)C[C@@H]12 585106104 LWGVPCFVUJGNCK-UXHICEINSA-N 427.976 2.821 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1cccc(Cl)c1 2196240 JPIWEYDYKWSXRG-DOTOQJQBSA-N 430.888 2.857 0 40 IFAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2CCc2ccccc2)cc1 2622787 MZTYUFAKGCRTEX-AWEZNQCLSA-N 425.514 2.872 0 40 IFAB COc1cc2c(c(-c3c(O)c(OC)cc4c3CN(C(C)=O)CC4)c1O)CN(C(C)=O)CC2 3847344 PADGLHUEGYLOQF-UHFFFAOYSA-N 440.496 2.591 0 40 IFAB biogenic CC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F 6074364 AOVMHCLDQMUVRX-UHFFFAOYSA-N 428.443 2.566 0 40 IFAB Cc1nc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)sc1C 9302361 BEJVYYMPEWPBPC-UHFFFAOYSA-N 448.549 2.731 0 40 IFAB COc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 9670805 NPTXUNLOGCEWIC-OAHLLOKOSA-N 437.514 2.578 0 40 IFAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[C@@H]1Oc2ccccc2NC1=O 9883180 BTZIVNZTASBIRG-HNNXBMFYSA-N 428.470 2.563 0 40 IFAB O=C1c2cccc3c(S(=O)(=O)N4CCOCC4)ccc(c23)N1C(=O)C1CCCCC1 10382237 VHKGRIPBPDWVKU-UHFFFAOYSA-N 428.510 2.928 0 40 IFAB O=C(NCC(=O)N1CCN(c2ccccn2)CC1)c1ccc2nc(-n3cccc3)sc2c1 12323002 BKXUKDJHDVDVHS-UHFFFAOYSA-N 446.536 2.561 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(=S)n3-c3ccccc3)CC2)cc1 12517605 YQSPPMVFIMPJJY-UHFFFAOYSA-N 442.566 2.990 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)OCC(=O)C(C)(C)C)c1 12549829 JUWGEWYMHBGMBM-UHFFFAOYSA-N 428.551 2.547 0 40 IFAB NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N 12705017 YMWZSMZIYDQRQH-UHFFFAOYSA-N 435.937 2.573 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)cc1 12760641 SWHZKXPEPSBPAH-QGZVFWFLSA-N 427.526 2.771 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCCOc1ccccc1 13001047 IBYZDWMHQPRVBF-UHFFFAOYSA-N 434.514 2.586 0 40 IFAB O=C(CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@@H]1CCCc2ccccc21 13234861 YLYQBCBKXCKGBO-NHCUHLMSSA-N 434.496 2.657 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 15388755 NSXYXHYXGGLPEV-UHFFFAOYSA-N 435.933 2.835 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2-c2ccccc2C)NC(=O)N[C@@H]1c1ccco1 15405776 AOBAOZFGJNJWEC-QGZVFWFLSA-N 440.485 2.527 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1 15859893 YMGOBJJFILQFIY-HNNXBMFYSA-N 447.285 2.952 0 40 IFAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(I)cn2)cc1 16293573 YFAJSFKXGHFGGY-UHFFFAOYSA-N 427.267 2.887 0 40 IFAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cnn(C)c1C 17094499 LZFVQNRSTWOJQM-KRWDZBQOSA-N 425.518 2.978 0 40 IFAB Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)n1 19290948 SARGAIBKBSJJMC-NRFANRHFSA-N 438.576 2.809 0 40 IFAB CCn1cc([C@@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 19524771 FKIKVFVDDMLMAJ-QFIPXVFZSA-N 449.523 2.979 0 40 IFAB CCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527605 NIZKUUWYTYPJOJ-QFIPXVFZSA-N 431.540 2.803 0 40 IFAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19528998 VUGSTCMUOFYTDA-AREMUKBSSA-N 444.535 2.956 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2ccccc2)CCO1 19591839 IUCAPJJUFLRMAN-SANMLTNESA-N 429.520 2.877 0 40 IFAB COc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)[nH]c2C(N)=O)cc1 19698889 SCMAFGSTDJENTQ-MRXNPFEDSA-N 440.525 2.753 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245732 KDXZYYSCYUEIBC-HNNXBMFYSA-N 432.546 2.710 0 40 IFAB CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 21511583 HJMQHUWXJCOHLG-UHFFFAOYSA-N 447.923 2.687 0 40 IFAB O=c1nc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH]c2ccsc12 21848647 KFGCHVBRGSIKTJ-UHFFFAOYSA-N 440.550 2.644 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)c2ccc(Cl)cc2)C(=O)N2CCN(C)CC2)cc1 22996898 GEQPYWJNXUYARJ-UHFFFAOYSA-N 449.960 2.889 0 40 IFAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@H](CC)C3)c(=O)[nH]c1=O 24005967 JFUOAAAXYBIPOG-AWEZNQCLSA-N 448.589 2.789 0 40 IFAB C[C@H]1CN(c2ccc(C(=O)NCCCc3cc(N)n(-c4ccccc4)n3)cn2)C[C@H](C)O1 24795992 OCEIAMUOURVKSG-ROUUACIJSA-N 434.544 2.826 0 40 IFAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(F)cc(Br)cc1Br 28223196 CENVBVHSJZGZHV-JTQLQIEISA-N 444.120 2.713 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(c3ncnc4cc5c(cc34)OCCO5)CC2)cc1 28558749 HITJWMOHSFSHNA-QPJJXVBHSA-N 432.480 2.772 0 40 IFAB Cn1ccnc1[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1cccc(F)c1 29813761 XNYHFBNZCPXPEJ-LJQANCHMSA-N 431.427 2.921 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 32097087 HYAZWDQKHXZVFC-ZDUSSCGKSA-N 447.421 2.957 0 40 IFAB C[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32776912 PQZHVDCQKPBODG-HNNXBMFYSA-N 444.509 2.542 0 40 IFAB COc1cc(OC)c2[nH]c(C(=O)OCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2c1 32906257 ZENWQZQHWCNNJI-UHFFFAOYSA-N 425.441 2.789 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 32911199 BQPRLDILVQGJLY-OAQYLSRUSA-N 429.860 2.825 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc(C(=O)OC)c1 32913002 AHLXMDJRAQLUIE-LBPRGKRZSA-N 432.864 2.558 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Br)cc1 32940006 KRNGJMMSVZBNAO-WOSRLPQWSA-N 425.323 2.806 0 40 IFAB NC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c2ccccc2O1 49643468 PNUCJYASGYPKPM-WZONZLPQSA-N 443.503 2.972 0 40 IFAB C[C@H]1CCc2c(sc3nc(Cn4c(C(F)(F)F)ccc(C(N)=O)c4=O)nc(N)c23)C1 59124468 VVEZQUADLIALRO-QMMMGPOBSA-N 437.447 2.726 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc(Cl)sc2C(=O)OC)c1 59842275 VAFZPRJLPWUHTL-UHFFFAOYSA-N 447.874 2.562 0 40 IFAB O=C(C[C@H](C(=O)O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 71325808 LYMVZQRFTFKRAR-GOSISDBHSA-N 430.888 2.913 0 40 IFAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Br)ccc1F 71334821 LUAKAXGPUAXTNP-RFAUZJTJSA-N 425.258 2.530 0 40 IFAB CCOC(=O)[C@@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H](C)CC 72303256 ZIIXXBUBSGENLK-DIFFPNOSSA-N 437.587 2.801 0 40 IFAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c(Br)c1 96124149 LSWSKYPGCZDBEX-AWEZNQCLSA-N 442.321 2.983 0 40 IFAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1n[nH]c2ccccc12 96869797 QXBDNVAEWDGTAR-LICLKQGHSA-N 436.449 2.758 0 40 IFAB COc1cc(CC(=O)N2CCC[C@@H]2c2cc3nc(C)cc(O)n3n2)cc(OC)c1OC 100138886 IWOXVCPLIKDEKZ-MRXNPFEDSA-N 426.473 2.675 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101635038 ZFIUKVORRNKVIP-LNLFQRSKSA-N 432.542 2.864 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(F)cc2)cc1 113937323 YUCIBAIZLJSWLP-UHFFFAOYSA-N 449.548 2.630 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222412338 UJVXLYWAXPLABA-IBGZPJMESA-N 445.585 2.541 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2)cc1OC 224796690 YJTZZGMPNKYCBO-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(C)cc1C 225169509 XWPXEJAZGAMDFX-UHFFFAOYSA-N 434.558 2.690 0 40 IFAB COCCCNC(=S)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 225901876 MLIVXHLXLJQQKH-UHFFFAOYSA-N 446.587 2.682 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(OC)cc6OC)[C@H]54)[C@H]3C2=O)cc1 248177587 BIFZSCVBWDVLQM-HDYXAYNESA-N 448.475 2.887 0 40 IFAB C[C@]1(O)CN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1Oc1cccc(F)c1 257266653 MDXNTBBVWJREPW-GMAHTHKFSA-N 430.476 2.830 0 40 IFAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)CC1(CC(=O)O)CCCC1 257281861 ORGWGZUFYKFENN-UHFFFAOYSA-N 440.544 2.845 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCCCn1ccnc1 408674795 CQODIHAJFUGNQE-UHFFFAOYSA-N 446.504 2.717 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCCC2)cc1 585262371 CAZWPUHIXLLLQW-LUKWVAJMSA-N 428.504 2.999 0 40 IFAB CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCN2CCOCC2)cc1 585271006 CUBAYHCORYHCBZ-QFIPXVFZSA-N 444.572 2.668 0 40 IFAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCc2cnc(N3CCOCC3)nc21 675008171 GCCCHNIHBOWYHC-UHFFFAOYSA-N 442.463 2.615 0 40 IFAB CCOc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C(N)=O)CC2)cc1 1348223 HXEMHDGGKHAKLK-NRFANRHFSA-N 438.507 2.546 0 40 IFAB CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 2661788 DHHQPXCDCYXTNZ-UHFFFAOYSA-N 425.510 2.780 0 40 IFAB CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)OCC)N2C1=O 2967024 GHMJTSHBYZFPHM-MRXNPFEDSA-N 430.530 2.638 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NC1CCCCC1 3313998 SZTTXQQCFNAGCL-UHFFFAOYSA-N 427.478 2.670 0 40 IFAB Cc1cccc(NC(=O)CCCSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 8862452 SPKYACFOWANTKH-UHFFFAOYSA-N 435.571 2.922 0 40 IFAB Cc1[nH]c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nc1Cc1ccccc1 8900153 BATMORRCTRNXOK-UHFFFAOYSA-N 441.557 2.933 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1=O 9216794 ZDMXCTQBVISBQB-JOCHJYFZSA-N 435.463 2.780 0 40 IFAB Cc1cc2nnc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2c2ccccc12 9562383 YAZRNINLLYAHRQ-UHFFFAOYSA-N 427.511 2.569 0 40 IFAB CCOc1cccc2cc(C(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)c(=O)oc12 9660913 UPGUFJVRTMTFKM-UHFFFAOYSA-N 449.438 2.985 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 10508805 PANRDJWJBRSDMG-UHFFFAOYSA-N 448.405 2.785 0 40 IFAB O=C(NCc1ccccc1)NC1(C(=O)OCCN2C(=O)c3ccccc3C2=O)CCCC1 10776343 OXEWUARYOZSSAX-UHFFFAOYSA-N 435.480 2.638 0 40 IFAB CCCn1c(N)c(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c(=O)n(C)c1=O 11181566 HAGQKDMEAGMDME-UHFFFAOYSA-N 425.514 2.678 0 40 IFAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCCn3ccc(C)n3)CCOCC2)C1 12156956 GBVBDLKRYRLUJU-SFHVURJKSA-N 426.517 2.696 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12695274 XQPCCRNIQZCRGQ-UHFFFAOYSA-N 440.525 2.669 0 40 IFAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 12976767 GROCICAFTWDSNS-QFIPXVFZSA-N 435.524 2.973 0 40 IFAB CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 16162342 NMFMHCZKFHVDPA-UHFFFAOYSA-N 432.542 2.850 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)[nH]c(=O)c2C1 19239465 JISJDTQWXUEIJY-LAUBAEHRSA-N 447.539 2.692 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3)cc2N1 19451330 XHFPQTXVKJHYOC-RZLSGREXSA-N 448.511 2.577 0 40 IFAB CCc1c(C)nc([C@H]2CCCN2C(=O)c2cccc(N3CCCCS3(=O)=O)c2)[nH]c1=O 19521599 YEOUPMDYSUGPCI-LJQANCHMSA-N 444.557 2.548 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cn1 19525013 OVWHTOMYLNTYNX-UHFFFAOYSA-N 431.566 2.724 0 40 IFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccnn2C)C1 19529948 LVPGVZVLKHKWHW-MBSDFSHPSA-N 442.491 2.928 0 40 IFAB CN(C)c1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19587769 ULLRGPLSFQEWMZ-SIKLNZKXSA-N 440.567 2.853 0 40 IFAB CCN1C(SCC(=O)Nc2cc(OC)cc(OC)c2)=NS(=O)(=O)c2ccccc21 21657820 ILPYQIRYDSDZJG-UHFFFAOYSA-N 435.527 2.960 0 40 IFAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)n2)cc1 24925128 KAUUMXDJZOZCMZ-UHFFFAOYSA-N 449.467 2.758 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1 27983304 CKSHNIMJSHCBHF-UHFFFAOYSA-N 426.494 2.925 0 40 IFAB CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 28208808 NSFQMQOERJPEBH-UHFFFAOYSA-N 427.570 2.535 0 40 IFAB CCOC(=O)c1cc(CC)sc1NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 32808620 GOLIOUAUWJRNKK-UHFFFAOYSA-N 429.498 2.622 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814434 VYZIHSZGNCRTHE-UHFFFAOYSA-N 436.287 2.749 0 40 IFAB COc1ccc(-n2ncc(C(=O)NC[C@H](c3ccccc3)N(C)C)c2C(F)(F)F)nn1 32909267 UZUXWTSYSSMWLA-OAHLLOKOSA-N 434.422 2.722 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(F)cc1 36386002 HORPRMLPRRCONZ-JKSUJKDBSA-N 437.512 2.537 0 40 IFAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1ccsc1 48248816 VZTKCKDLXAETPI-OXJNMPFZSA-N 449.598 2.933 0 40 IFAB Cc1nc(N2CCN(CC(=O)N3CCOCC3)CC2)c2c(-c3cccs3)csc2n1 58158401 GCKLRFLXPCWWGL-UHFFFAOYSA-N 443.598 2.709 0 40 IFAB COc1cccc([C@@H](C)NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1 67316958 NNQPICMHNTYMLE-OAHLLOKOSA-N 439.487 2.779 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN(C)Cc2ccccc2)cc1 67870697 FVUIHLYIFBWIKB-FDFHNCONSA-N 443.613 2.816 0 40 IFAB biogenic,in-vitro CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)C1CCN(C(C)C)CC1)CC2 72372359 ICXQRJPIMBLXGX-OAQYLSRUSA-N 442.608 2.597 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@H]1CCCO1 72402948 UMNGYEDDZXPBOI-DZGCQCFKSA-N 429.348 2.509 0 40 IFAB CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 89272061 WRUQSOVRFBUESM-UHFFFAOYSA-N 431.558 2.647 0 40 IFAB CS(=O)(=O)c1ccc(O[C@H]2COCCN(C(=O)Nc3ccc(F)cc3F)C2)cc1 96269031 BVHOHWTUANLPFI-OAHLLOKOSA-N 426.441 2.680 0 40 IFAB biogenic,in-vitro CCOc1ccc2sc(NC(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc2c1 100848359 FCMHZZDHSQSHLR-MWDDYTRKSA-N 426.498 2.624 0 40 IFAB Cn1nc(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n(C2CC2)c1=O 207957581 JGUKNMLONBCKLZ-UHFFFAOYSA-N 430.452 2.504 0 40 IFAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220627035 FPPNATXJYHUOSX-NRFANRHFSA-N 434.558 2.997 0 40 IFAB CCc1ccc(OCCNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 225165047 OXYGLBAFMIEBBW-UHFFFAOYSA-N 434.558 2.636 0 40 IFAB COc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@H](O)C4)nc2C3)c(OC)c1OC 247834596 IPKNTFCPZCVGHR-ZWOKBUDYSA-N 440.544 2.725 0 40 IFAB CN(C1CCOCC1)[C@H]1CCN(Cc2cc(C(C)(C)C)ccc2OCC(=O)O)CC[C@@H]1O 257273320 NGCHRTUESOAKEK-VXKWHMMOSA-N 448.604 2.884 0 40 IFAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257278078 OARNMRDTAQFIAT-XMMPIXPASA-N 440.544 2.845 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NCc1ccncc1 257306586 SUYLLDBLTPVXJU-FQEVSTJZSA-N 446.555 2.716 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCCC[C@@H]3N(C(C)=O)CCC[C@@]32C)c1 257325406 WSUPGZRCTPOORE-GMAHTHKFSA-N 430.549 2.848 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408671502 YHKLSEKUGJQNIO-ZMMDUFCOSA-N 448.475 2.992 0 40 IFAB O=C(NCCn1c(O)nc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12 530988240 PGIZBFDHZPMVRJ-UHFFFAOYSA-N 439.475 2.930 0 40 IFAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccsc1)C2 585107328 SZMVBCNAQPEUKZ-HSZRJFAPSA-N 435.553 2.512 0 40 IFAB COc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OCCN1CCOCC1 585271010 CVODPZJTSPBKKR-OAQYLSRUSA-N 436.593 2.548 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCCc2c[nH]c3ccccc23)[C@@H](O)C1 585289349 FGEOYAPSQGAIRL-GMAHTHKFSA-N 427.932 2.592 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3coc(C)n3)CCO2)C1=O 643557654 VJMPYFXPOCCBOO-DEOSSOPVSA-N 441.528 2.848 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NC[C@@H]1CCCO1 2653607 FDDOGQVRPHQQFF-KRWDZBQOSA-N 427.501 2.971 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(F)c3)c(=O)n2[C@@H]1c1cccs1 2699419 XDEQSYRLARYLGC-MUMAZLPKSA-N 428.510 2.999 0 40 IFAB CCOC(=O)c1sc(NC(=O)c2c(Br)cnn2CC)c(C(N)=O)c1C 2768847 HERWKFOQPRVVCY-UHFFFAOYSA-N 429.296 2.563 0 40 IFAB C[C@@H](C(=O)Nc1cnn(C)c1C(N)=O)n1nc(C(F)(F)F)c(Br)c1C1CC1 2777830 DUZTVUYNRRYIFY-LURJTMIESA-N 449.231 2.574 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1 3492882 GLLMHVSDNVMMHT-UHFFFAOYSA-N 430.921 2.813 0 40 IFAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 5706770 IMKAKHAILFSCIT-YSSFQJQWSA-N 428.485 2.845 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H](C)NCCCN2CCOCC2)sc2c1CC[C@H](C)C2 8709272 LTTHSDCYRHEPRZ-JKSUJKDBSA-N 437.606 2.689 0 40 IFAB COC(=O)[C@@H](CC(C)C)NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9155094 LIYHAEHWAQQYOL-CYBMUJFWSA-N 437.587 2.801 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 9262985 MBVIOFDCDQTPDR-RHSMWYFYSA-N 433.553 2.714 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C(=C/c1ccccc1)n1nnnc1C 9630716 BWZWVHZTFVSEMD-BOPFTXTBSA-N 437.456 2.527 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 9807444 BLTVGYJRCPLHQK-HXUWFJFHSA-N 443.569 2.828 0 40 IFAB CC(C)Oc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4)cnc32)cc1 9822220 GAHQPQJRUZEANS-UHFFFAOYSA-N 431.496 2.859 0 40 IFAB Cc1nc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c2c(C)c(C)sc2n1 9882550 IJNVCMLLCXHKOD-UHFFFAOYSA-N 432.571 2.897 0 40 IFAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 10441797 HJBQJMMSFACUMU-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)[C@H](C)Oc3ccccc3F)n2)c1 11694465 MLXCEHDTZQTFFN-HNNXBMFYSA-N 441.459 2.650 0 40 IFAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11904095 QUPANXVLTBIYQI-GFCCVEGCSA-N 428.919 2.762 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCC3CCCCC3)CC1)NC2=O 12086543 DNOBABRNGLWZRU-MZNJEOGPSA-N 426.561 2.944 0 40 IFAB COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1S(=O)(=O)N1CCOCC1 12549678 WTFBFKCOMSKLMM-UHFFFAOYSA-N 441.509 2.825 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)CCc1nc2ccccc2c(=O)[nH]1 13002481 KRNNTBXPQFEJPX-UHFFFAOYSA-N 443.301 2.715 0 40 IFAB CN(C)CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 13649617 KGXOIXBLWITVIF-UHFFFAOYSA-N 430.357 2.867 0 40 IFAB C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O 13844297 ZNJXOJWEXGNUGB-RGFVMQALSA-N 427.570 2.699 0 40 IFAB CC(C)(C)c1nnc2sc(SCC(=O)c3cccc(N4CCCC4=O)c3)nn2c1=O 14124295 YFKIWLSWGJPHPM-UHFFFAOYSA-N 443.554 2.945 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)cc1 15407042 JQPMTTSJVVYBIB-MRXNPFEDSA-N 427.526 2.754 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 15894218 KRMUSJBFIHWDDU-LUFNOOMBSA-N 441.531 2.851 0 40 IFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 16755990 KALOXYRPHFJWFI-UHFFFAOYSA-N 427.486 2.560 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1OC 17062395 MXFGZJVGKHVJBD-UHFFFAOYSA-N 436.574 2.705 0 40 IFAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)NC12CC3CC(CC(C3)C1)C2 19374496 CXPZDPIGRGFQTK-UHFFFAOYSA-N 444.539 2.960 0 40 IFAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)COc3ccccc3)C2)n1 19694718 KUXXRUOIKBITMM-IBGZPJMESA-N 445.523 2.703 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1cccnc1)C2 19695623 NQNKJRVDHGLXGP-OAQYLSRUSA-N 432.503 2.894 0 40 IFAB CCOc1cccc(OCC(=O)N2CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 19757426 BNXZORYJSIKBIT-SFHVURJKSA-N 438.528 2.815 0 40 IFAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)CCc2ccc(F)cc2)cc(N(C)C)n1 19760115 YCPBRGXKJKFKND-HXUWFJFHSA-N 427.524 2.956 0 40 IFAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 20726094 SVLVSWGCULQKJA-IFMALSPDSA-N 435.480 2.586 0 40 IFAB CC(=O)N1C[C@@H](C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)Oc2ccccc21 21630901 FQFKMHXJPOWPOX-FQEVSTJZSA-N 449.463 2.658 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(OC)c1 21993546 GNNXDWXCNUAKRW-INIZCTEOSA-N 426.469 2.855 0 40 IFAB O=C(C[C@@H](NCCCN1CCOCC1)C(=O)O)Nc1ccc(Nc2ccccc2)cc1 22996980 KUEZZGLJBFUHFY-OAQYLSRUSA-N 426.517 2.524 0 40 IFAB Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc23)N2CCOCC2)cc1 23106995 ZKQJMALEYHWRLT-QHCPKHFHSA-N 432.524 2.980 0 40 IFAB CCc1ccc(N2C(=O)C[C@H](N3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)cc1 25174510 GJQADHRXOFQAMQ-SFHVURJKSA-N 436.541 2.933 0 40 IFAB C[C@H]1CCN(C(=O)COC(=O)c2cccnc2N2CCOCC2)c2ccccc2S1 27806528 HNRVLCWDLQAJRW-INIZCTEOSA-N 427.526 2.993 0 40 IFAB Cc1cc(C(F)(F)F)nn1CC(=O)Nc1nc2ccccc2n1CCN1CCOCC1 28226251 WMMKSSZDUNDBNJ-UHFFFAOYSA-N 436.438 2.531 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1nnc2ccccn12)OCc1ccccc1 32716840 NQMUXGTUOGRXJN-HXUWFJFHSA-N 429.480 2.883 0 40 IFAB Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2cc(S(N)(=O)=O)ccc21 32946656 VGAXINPAKPAMOU-UHFFFAOYSA-N 444.460 2.970 0 40 IFAB CN(C)c1nc2ncnc(SCC(=O)N3CCN(c4ccccc4F)CC3)c2s1 35532707 CSHJUDPTDNXFSN-UHFFFAOYSA-N 432.550 2.732 0 40 IFAB Cc1ccc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 36398667 DFJAOBYXQLSUOW-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB CCOc1ccccc1-c1noc(Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)n1 38486680 QGHUDSRLWILUFF-UHFFFAOYSA-N 433.403 2.613 0 40 IFAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1)c1ccc(OC)cc1 38753506 PBWKSXPVFMEAIA-HXUWFJFHSA-N 448.541 2.606 0 40 IFAB Cc1cnc2n(c1=O)[C@@H](CC(=O)OCc1cc(-c3ccc4c(c3)OCO4)on1)CS2 38768197 KPTNQTQHWSHECG-AWEZNQCLSA-N 427.438 2.716 0 40 IFAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CCN(c2ncccn2)CC1 40134529 FRXXKHFZVDUBOW-UHFFFAOYSA-N 445.449 2.584 0 40 IFAB CN1CCN(CCCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@H](c2ccccc2)C1 40138896 ODUWBHODAFGELK-FQEVSTJZSA-N 442.995 2.839 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157318 XEQGSKCIDKSXGV-WOJBJXKFSA-N 428.554 2.747 0 40 IFAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 48354167 SDAHTGUDDOSOKS-INIZCTEOSA-N 437.479 2.583 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCC[C@H](C)C3)c2=O)c1 57426864 MPNLVMXOVHCNJS-HNNXBMFYSA-N 427.526 2.540 0 40 IFAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NC[C@H]3COc4ccccc4O3)n2)c1 61718151 WZAWTOYQOUNEKW-AWEZNQCLSA-N 443.843 2.670 0 40 IFAB COc1ccc(OC)c(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c1 72340573 VWOJCAQXAZSNRW-HSZRJFAPSA-N 440.519 2.980 0 40 IFAB Nc1ccc(C(=O)N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)cn1 72352244 XKQJHMNEHRTWON-MRXNPFEDSA-N 436.537 2.981 0 40 IFAB CCN(C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)[C@@H](C)CS(=O)(=O)CC 78808725 CQYKBJFNXDTDGB-LBPRGKRZSA-N 433.456 2.963 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1C 90584145 VOVNGAHHNSEBQL-UHFFFAOYSA-N 439.541 2.921 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@H](C)O)cc1 95951864 YIVYELVXCKKTMQ-UWJYYQICSA-N 432.586 2.979 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 223232065 NWBPVELKCIEUBI-SFHVURJKSA-N 446.569 2.714 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 223538797 LUQPSSROEFAVGI-IBGZPJMESA-N 445.585 2.786 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223716372 AZEARMRKAYHHIA-NXHRZFHOSA-N 445.947 2.535 0 40 IFAB COc1ccc2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccc(F)cc5c4=O)CC3)[nH]c2c1 225761454 HPNUABXKQDBKQV-UHFFFAOYSA-N 436.443 2.796 0 40 IFAB CC(C)N1CCN(C(=O)C[C@@H]2CCCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C2)CC1 257206332 BCXCWSMBFBYRFO-SFHVURJKSA-N 443.567 2.816 0 40 IFAB O=C(CN1CCCCS1(=O)=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257210222 BTRLYSZXJQXTBK-KRWDZBQOSA-N 435.521 2.536 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1cccnc1 257293209 QOOHCDSKQSSOOU-NGSHPTGOSA-N 447.510 2.958 0 40 IFAB CCc1nccn1CC(=O)N1CCC[C@]2(C/C=C/Cc3ccccc3OCC(=O)NC2)C1 257302152 SBSHFRZIYVYPGE-JOXKVKLASA-N 436.556 2.752 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1C 260902636 UKRMMSYXFWQZKX-GOSISDBHSA-N 431.558 2.933 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408636940 WNNBUKFOYLMJSH-CYBMUJFWSA-N 442.921 2.679 0 40 IFAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 409153157 KXPJGWMSOWNEKH-CAOOACKPSA-N 440.433 2.877 0 40 IFAB O=C(Cc1c(F)cccc1Cl)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148496 LTFFMEDZRRHMIS-UHFFFAOYSA-N 435.805 2.839 0 40 IFAB COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 585283034 OUZKJUNZULNIOM-HSZRJFAPSA-N 440.531 2.834 0 40 IFAB O=C(NCc1nnnn1-c1ccccc1)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1 593160322 BXFPZLJKLWDKPA-UHFFFAOYSA-N 438.451 2.721 0 40 IFAB COc1ccccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(C)cc1 912563 NOQRJQBUORKUKK-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2N)sc2c1CCC2 3352852 WINGNPSKDGCKSI-UHFFFAOYSA-N 433.515 2.710 0 40 IFAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 4132518 ABVQMLTWBDOZRL-LJQANCHMSA-N 430.618 2.952 0 40 IFAB CCN1CCN(C(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 6325849 LCUPDYMINFCHSP-UHFFFAOYSA-N 429.586 2.658 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2=O 8231745 BQIRVOBPIDMCNS-FATZIPQQSA-N 426.517 2.654 0 40 IFAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n2)c1 8763151 IZBVQFRKJHFGBX-UHFFFAOYSA-N 432.480 2.794 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 9155796 PDXYFWAOKZFQFR-UHFFFAOYSA-N 440.905 2.687 0 40 IFAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1cccc3ccccc13)c(=O)n2C 9571706 VYBCOQFUPUFVCZ-UHFFFAOYSA-N 432.480 2.848 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O 9609424 UODHRPXRBBPCKG-UHFFFAOYSA-N 448.401 2.852 0 40 IFAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1 9683384 XTEUSPREPPZCCG-HNNXBMFYSA-N 446.617 2.777 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 9835807 VBCCOOXRTMXSFS-MSOLQXFVSA-N 427.848 2.671 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849651 ZIYRTTJMJVTQBU-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB CCc1nn2c(=O)cc(CSc3nnc(N)s3)[nH]c2c1-c1ccc(OC)c(OC)c1 9936212 ZXDPQZOACTYLPU-UHFFFAOYSA-N 444.542 2.995 0 40 IFAB CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1 10221052 RMHFJTAPMAAXBJ-UHFFFAOYSA-N 425.558 2.987 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 10969334 XLSJUCWXENYNAU-AWEZNQCLSA-N 425.510 2.953 0 40 IFAB COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1OC 11697692 PLOBGVAVZXLHNJ-UHFFFAOYSA-N 435.488 2.987 0 40 IFAB O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)NC[C@H](O)c1ccccc1 12389258 FBEFJQHZDPZOQS-FQEVSTJZSA-N 426.904 2.739 0 40 IFAB COc1ccccc1-n1c(=O)n(CC(=O)Nc2cccc(F)c2)c(=O)c2c(C)cc(C)nc21 12446450 CEEKRLRWNIBMID-UHFFFAOYSA-N 448.454 2.951 0 40 IFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N[C@@H](c1ccccc1F)c1nccn1C 12602625 MUWBLKJVBXSVRT-MFUYTVRRSA-N 445.472 2.734 0 40 IFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)c1ccc2c(c1)CCCC2 12769197 CJNGAYUPAUYMGS-UHFFFAOYSA-N 442.537 2.711 0 40 IFAB Cc1ccc(C)c(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 13682662 SCFHLQZLHWBNOB-SFHVURJKSA-N 433.549 2.946 0 40 IFAB CN1CCN(C(=O)c2ccc3nc(NS(=O)(=O)c4ccc(F)cc4)sc3c2)CC1 13734528 GJTSRAFFXLPESW-UHFFFAOYSA-N 434.518 2.624 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3cc(F)ccc3F)n2)cc1 13798495 RHQCVMHFHILYBT-UHFFFAOYSA-N 435.452 2.566 0 40 IFAB CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 15934948 XWYLRVWEDKPVKT-UHFFFAOYSA-N 428.485 2.873 0 40 IFAB COc1ccc([C@@H](C)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1Br 16694948 ODBPIYFHLGHUEL-GFCCVEGCSA-N 445.317 2.504 0 40 IFAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)c1 16755956 GYNDBEJFBNPKCJ-UHFFFAOYSA-N 427.486 2.560 0 40 IFAB C[C@H]1CN(CCC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C[C@H](C)O1 19497504 DFWJGMBUQFVYQB-IRXDYDNUSA-N 440.573 2.684 0 40 IFAB CN(C)C(=O)c1cnc(N(C)C)nc1-c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 19585404 RUDIAXVRCJTBMV-UHFFFAOYSA-N 435.503 2.909 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccc(F)cc1 19755463 ZBRWEKLOAJIULK-LJQANCHMSA-N 435.459 2.852 0 40 IFAB O=C(CSc1nncn1Cc1ccco1)Nc1ccc(S(=O)(=O)C(F)F)cc1 22193993 ZGYMFBPAOQDCDV-UHFFFAOYSA-N 428.442 2.647 0 40 IFAB CC(=O)Nc1cccc(Nc2nnc(SCC(=O)NC(=O)c3cccn3C)s2)c1 23079346 YZWLLDSABHEWRY-UHFFFAOYSA-N 430.515 2.627 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3cccc(Br)c3)C2=O)c1 24086922 YETOCZQFJRDXBO-MGPUTAFESA-N 449.301 2.665 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@@H](c2nnc3ccccn23)C1 24457843 VYXYHLMHJWBYKI-UXHICEINSA-N 429.524 2.977 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 29362042 SEOQLPBPWNVDPY-CQSZACIVSA-N 426.330 2.747 0 40 IFAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 29480009 ULIXMLDYUUNWGQ-OAHLLOKOSA-N 428.514 2.845 0 40 IFAB COc1ccnc(N2CCC(C(=O)O[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)n1 31180512 LMTVZODTBLTUGD-LBPRGKRZSA-N 443.529 2.921 0 40 IFAB O=C(Nc1ccccc1)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1 32759254 LPIWXLRMABKGIB-QGZVFWFLSA-N 426.542 2.977 0 40 IFAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)o1 33660548 GQSVPNDYILQWOE-WLRTZDKTSA-N 449.353 2.825 0 40 IFAB O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 35392930 HXEBNADDDLTGLD-UHFFFAOYSA-N 441.475 2.792 0 40 IFAB CCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3cccc(OC)c3)nnc12 35528690 UYGITSGYKBHGOI-UHFFFAOYSA-N 425.514 2.773 0 40 IFAB CCN(C(=O)CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 36593212 CGXMJYICEXVMJR-IMLBUBJESA-N 448.566 2.705 0 40 IFAB O=C(NCCCN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38771973 SSKJJRFWIBSNSK-JOCHJYFZSA-N 435.634 2.653 0 40 IFAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48353932 GTJKZIDLYKXLON-WIYYLYMNSA-N 448.995 2.757 0 40 IFAB COc1ccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 49400893 IOZZBKVOHKDJOZ-GOSISDBHSA-N 446.551 2.996 0 40 IFAB O=S(=O)(c1ccc2nncn2c1)N(Cc1cccc(F)c1)c1ccc2c(c1)OCO2 49408383 WJBZERCDYSITHI-UHFFFAOYSA-N 426.429 2.993 0 40 IFAB CN(C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)c1ccccc1 57428187 AADCSVONEGVHFJ-UHFFFAOYSA-N 449.488 2.665 0 40 IFAB Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cn2)cc1 58247416 HXZLCOWYIKSGCB-CALCHBBNSA-N 448.545 2.743 0 40 IFAB CC(=O)N1c2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3F)cc2C[C@@H]1C 59746234 BPTAFGJYMGLVHJ-INIZCTEOSA-N 433.549 2.876 0 40 IFAB O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccn2)CC1 61720516 NLZQAQLBKPPACK-UHFFFAOYSA-N 431.540 2.947 0 40 IFAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2ccc(F)cc2)CC3)C1=O 96144455 WSDLNQISWUEICC-QHCPKHFHSA-N 445.539 2.676 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC(c1ccccc1)c1ccccc1 102209052 HZNTZNHRSDJKLU-BGYRXZFFSA-N 434.492 2.611 0 40 IFAB C[C@@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 223889738 LFLXCAZFDPLYPE-AWEZNQCLSA-N 434.468 2.621 0 40 IFAB COC(=O)c1c(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CCCC2 225080339 UEYYXZAXEBFCMP-UHFFFAOYSA-N 448.522 2.868 0 40 IFAB COc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCOCC3)n2)cc1 225930512 OVXZYYNXCSRUSR-UHFFFAOYSA-N 442.589 2.799 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)c1=O 575615015 LWKAPYPNUPGVSQ-UHFFFAOYSA-N 426.424 2.530 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)CC[C@@H](O)[C@H]1O 585660671 VMCFTVWDHVWSOB-RZQRMGNHSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cnn4ccccc24)CCC3)cc1 1565555678 NDNPFANHMZLART-UHFFFAOYSA-N 430.468 2.838 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H]2CN(C)C[C@@H]2c2cccc(CNC(C)=O)c2)cc1OC 2037834457 GJVBBXDBJWZTRQ-YADHBBJMSA-N 439.556 2.644 0 40 IFAB COC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 2634005 JJNBSPHWTJPSBR-LBPRGKRZSA-N 430.844 2.889 0 40 IFAB O=C(NCCCCCCNC(=O)NC[C@H](O)c1ccccc1)NC[C@H](O)c1ccccc1 4017858 OIYRMNRLJKXYSD-VXKWHMMOSA-N 442.560 2.612 0 40 IFAB CN(C)C(=O)c1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 8710968 JVCXIAXMSMTAPI-UHFFFAOYSA-N 444.557 2.614 0 40 IFAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8751135 FKGRMUJSBKOSOY-HXUWFJFHSA-N 430.526 2.858 0 40 IFAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)c1 9110827 LXLZIKUAOXOSFA-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)s1 9263979 QYHGYFUKLVDOFO-UHFFFAOYSA-N 437.938 2.540 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(F)cc1 9380893 QKVVOKBCHUMAPF-SFHVURJKSA-N 425.507 2.698 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1 9754722 XHDRURPBQFPZEP-MRXNPFEDSA-N 432.542 2.970 0 40 IFAB O=C(NCCCOCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10103504 LEHBPTPIZNICTP-LJQANCHMSA-N 434.533 2.950 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C1)N2 12181679 UCRLGMUCLKRFLE-VVLHAWIVSA-N 441.498 2.975 0 40 IFAB COc1ccc([C@@H]2N=C3NCN(CCCN(C)C)CN3c3nc4ccccc4n32)cc1OC 12323981 RTAJDJBXXLJCGB-JOCHJYFZSA-N 449.559 2.548 0 40 IFAB CCc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 12987125 ONOBRZAMRNNBBM-UHFFFAOYSA-N 446.569 2.732 0 40 IFAB O=C1N[C@H]2CCCC[C@H]2N[C@@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13540737 CXEOPBGOOGVGNI-TZRRMPRUSA-N 446.595 2.710 0 40 IFAB COc1ccc2c(C)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)oc2c1OC 13609898 MBBZZWBXDBRHJW-UHFFFAOYSA-N 434.452 2.940 0 40 IFAB COc1cc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc(Cl)c1OC 13624026 FJBGFDINLHCFPL-UHFFFAOYSA-N 432.860 2.942 0 40 IFAB Nc1nccnc1C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 14073715 RVXNMAJVICJZGA-GHXNOFRVSA-N 438.296 2.832 0 40 IFAB CCN(Cc1ccc(Br)s1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 14181468 YHOTTWDMVHWSRX-UHFFFAOYSA-N 443.344 2.704 0 40 IFAB O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19343667 JXQVRBVMMRDDRI-MOPGFXCFSA-N 428.558 2.622 0 40 IFAB O=C1NCCN(C(=O)CCn2ccccc2=O)C[C@H]1Cc1ccc(-c2ccccc2)cc1 19374183 DABVTRYNKUMUQR-HSZRJFAPSA-N 429.520 2.723 0 40 IFAB COc1ccc(C2=NN(C(=O)CCN3CCOCC3)[C@H](c3nc4ccccc4[nH]3)C2)cc1 19537519 VWFMYXJHRZRHJG-QFIPXVFZSA-N 433.512 2.972 0 40 IFAB COc1ccc(OC)c(Cc2ccc([C@@H]3CN(C(=O)c4cnn(C)c4C)CCO3)nc2)c1 19692355 JJLIQUCHEPLTAE-QHCPKHFHSA-N 436.512 2.945 0 40 IFAB CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CCN3CCc4ccccc43)nc2)CC1 19708178 SMXUWAFZJWTNRL-XMMPIXPASA-N 447.583 2.586 0 40 IFAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(S(C)(=O)=O)C4)nc32)c1 19739438 FVZIBDXGOLPXHJ-LJQANCHMSA-N 442.585 2.754 0 40 IFAB Cc1nc(N)c2ccc([C@H]3CCCN(C(=O)Cn4c(=O)cc(C)c5ccccc54)C3)nc2n1 19743360 AMDJINOFWFULBP-KRWDZBQOSA-N 442.523 2.945 0 40 IFAB O=c1[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n1CCc1ccccc1 20624038 YAWOFRHAIHCBMU-FQEVSTJZSA-N 436.899 2.855 0 40 IFAB biogenic Cc1cn2c(=O)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(C)nc2s1 20921774 JJBWIOZDUHSUFH-UHFFFAOYSA-N 432.571 2.501 0 40 IFAB C[C@@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1cccc2ccccc12 22803264 KNGDKGYTXXTUIY-OAQYLSRUSA-N 444.579 2.951 0 40 IFAB Cc1ccc([C@H](CN2CCOCC2)NCC(=O)NCCc2nc3ccccc3s2)cc1 23473054 GBEBFNKFKXFHJW-NRFANRHFSA-N 438.597 2.927 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc1ccc3c(c1)CCC3)C2=O 23673762 GCHCMXSLDISKSQ-VZSHHBOJSA-N 427.501 2.546 0 40 IFAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 26109311 LRVQTVOUQMWUPP-UHFFFAOYSA-N 448.416 2.699 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc2C1 28721455 XKNANCFFSSOZGY-VWLOTQADSA-N 443.551 2.547 0 40 IFAB O=C1N[C@@H](CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C(O)=Nc2ccccc21 32092838 UXZNMIRMFSIOMA-SFHVURJKSA-N 427.888 2.940 0 40 IFAB COC[C@H](C)NC(=O)c1nc(-c2ccccc2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616462 XWCIARNQBSOOBS-YOEHRIQHSA-N 442.541 2.531 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3cc(Cl)ccc3c2=O)NC(=O)N[C@@H]1c1ccco1 32841194 LIOBTKMYBKIJFH-QGZVFWFLSA-N 428.832 2.514 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 32927343 NHQVSYLIQOIGLK-KRWDZBQOSA-N 449.511 2.841 0 40 IFAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32983254 RWUIRUBLTKAIHI-DEOSSOPVSA-N 445.519 2.905 0 40 IFAB Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)cc1C 33048509 WKSXDXTULLQBGX-UHFFFAOYSA-N 440.591 2.811 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)CC2=O)cc1Cl 36569678 UPWHPEORGVZSOG-PMPSAXMXSA-N 441.915 2.509 0 40 IFAB biogenic CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccccc2Cl)Oc2ccccc21 38837487 NSSMPOBIFISTNA-GOSISDBHSA-N 440.974 2.917 0 40 IFAB Cn1cc(C(=O)NC2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cn1 48286313 UMQYRCMNPQQDEQ-UHFFFAOYSA-N 441.532 2.731 0 40 IFAB Cn1cc(-c2ccc(F)cc2)c2ncn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c21 49401439 VZRISOZIFJDZKF-UHFFFAOYSA-N 445.498 2.890 0 40 IFAB CCCN1CCc2nc(SCC(=O)Nc3ccccc3C(=O)OCC)nc(O)c2C1 67291763 DLDVRGWSPRCWCK-UHFFFAOYSA-N 430.530 2.858 0 40 IFAB COc1cccc(NC(=O)CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1 78958497 WRKSVJMWNWZCKJ-UHFFFAOYSA-N 441.557 2.996 0 40 IFAB COc1ccc2cnn(CN3CCN(Cc4cccc(Cl)c4)CC3)c(=O)c2c1OC 79486543 VDHKIUUXTIDAOW-UHFFFAOYSA-N 428.920 2.842 0 40 IFAB CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1 89274538 CJIADYUJCVHNDO-AWEZNQCLSA-N 426.539 2.921 0 40 IFAB Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F 95415343 OFZUBITULZFRCQ-OAHLLOKOSA-N 430.452 2.849 0 40 IFAB CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCc3ccc(OC)c(C)c3)ccc21 95445145 YZDVBXRPYUHMAZ-UHFFFAOYSA-N 439.516 2.590 0 40 IFAB O=C(NCCN1CCOCC1)c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12 96155137 KBYLXOIUBQWJRF-UHFFFAOYSA-N 436.560 2.840 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@H]3C2=O)cc1 101166170 ZJBQNIKHKONWPX-ZWKOTPCHSA-N 427.848 2.671 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)cc1Cl 101169060 ANIWNYBSTHIDRR-IRXDYDNUSA-N 449.801 2.559 0 40 IFAB NS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 102988269 FKXSBSWWDCDFLB-CQSZACIVSA-N 447.822 2.750 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223562266 JJZLGANFASJQSV-LJQANCHMSA-N 445.585 2.623 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 223984275 NRWXNOCTDRRXHX-MRXNPFEDSA-N 445.541 2.724 0 40 IFAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225001250 GTBFRHRKFRZCJF-JYRKZWEQSA-N 439.556 2.660 0 40 IFAB CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)s1 225530243 XCXNUPNJIUBTSF-ZDUSSCGKSA-N 426.589 2.998 0 40 IFAB COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 252516531 TXNPCUZOXBUYCO-XQBPLPMBSA-N 432.542 2.857 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccnn2C(C)C)CC1 257239587 HPZYOUSEPDNVAF-KIFXHHALSA-N 426.561 2.914 0 40 IFAB COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2CN2CCOCC2)CCN1C(C)=O 257323167 WIZPCXUYAQLPFF-QHCPKHFHSA-N 437.540 2.573 0 40 IFAB Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@@]2(CCN(C(=O)c4ccsc4)C2)CC3)cc1 306128472 HBAFWILYCYXQFR-XMMPIXPASA-N 448.548 2.731 0 40 IFAB NC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 409229100 JUPDZKLTFJYUDE-UHFFFAOYSA-N 437.521 2.835 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)c1)[C@H]1Cc2ccccc2O1 507903251 PWHOOCXWPJGURK-VQIMIIECSA-N 434.452 2.737 0 40 IFAB Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1cccc(N3C(=O)NC4(CCCC4)C3=O)c1)C2 521948502 WUXPYMPRFIKKLS-SFHVURJKSA-N 448.527 2.511 0 40 IFAB Cc1cncnc1N1CCC2(CC[C@@H](CNC(=O)c3nnsc3C3CC3)OC2)CC1 585101141 IREFPXGRJCZSBF-INIZCTEOSA-N 428.562 2.710 0 40 IFAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)n1 585291425 CUFRPKHLFHYFGQ-BLGFXRMMSA-N 438.561 3.416 0 40 IFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1(N2CCOCC2)CCSCC1 1775976326 YTAZRTHDOBIPEN-UHFFFAOYSA-N 438.537 2.723 0 40 IFAB CCCOc1ccc(CN2C[C@@H](CN3C(=O)NC4(CCSCC4)C3=O)CC2=O)cc1 2298108069 RHJRWUXDCQIAJF-KRWDZBQOSA-N 431.558 2.642 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccnc2)cc1 796423 HMSZFWUQQOLSRN-UHFFFAOYSA-N 425.514 2.679 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5ccccc5)C4)nc32)cc1 1334367 KMGSGQSWIMVTAU-IBGZPJMESA-N 428.496 2.891 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 3325686 QGNMEVZINWNXIJ-UHFFFAOYSA-N 443.319 2.588 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1 3341161 MQOQMISDTXHDPQ-UHFFFAOYSA-N 442.459 2.926 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3393553 DPZBLFMFIVIRJQ-VGSWGCGISA-N 444.484 2.907 0 40 IFAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)cc1C 8755251 CCJREBWUGZZLSZ-UHFFFAOYSA-N 449.554 2.879 0 40 IFAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C1CCN(Cc2ccccc2)CC1 9034141 ASTXNFAFYIFOLM-DEOSSOPVSA-N 428.536 2.928 0 40 IFAB biogenic O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 9355795 DDEBKAXTAUAIIO-VQHVLOKHSA-N 429.479 2.893 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9421460 NHKBGPUDIDHPSP-FQEVSTJZSA-N 440.525 2.561 0 40 IFAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)Cc1n[nH]c(=O)c2ccccc12 9442604 YLDSZBIPLQDYLD-UHFFFAOYSA-N 431.452 2.575 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC2=C(C(=O)OC)SCC2)cc1 9446369 SBMOOOYIFUJPKN-UHFFFAOYSA-N 426.560 2.749 0 40 IFAB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2cccc(Br)c2)n2nnnc2N1 10232445 ZCOVQJVDIDVCIC-AWEZNQCLSA-N 446.286 2.822 0 40 IFAB CCOc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO 12275595 DNIKQCLYTOTKRA-GOSISDBHSA-N 425.533 2.769 0 40 IFAB O=C(Cc1ccsc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 12753261 WZOXIMQVMLIRBE-UHFFFAOYSA-N 429.361 2.586 0 40 IFAB O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12926184 ZPZRSHQDUQPDHH-UHFFFAOYSA-N 436.917 2.648 0 40 IFAB O=C(CSc1nncn1-c1ccccc1F)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13398629 MRZPTVUFOKTEFW-KRWDZBQOSA-N 439.472 2.792 0 40 IFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 14241331 ILDSVHKPTBZSJZ-LJQANCHMSA-N 441.553 2.962 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(C)c1 17026038 YUFCDXPBJIMZSF-UHFFFAOYSA-N 442.497 2.627 0 40 IFAB O=C(c1cccnc1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19337505 BDFNVOAMHCFDCY-QGZVFWFLSA-N 435.553 2.805 0 40 IFAB CCc1c(C)sc2ncn(C3CCN(C(=O)CCCN4CCCC4=O)CC3)c(=O)c12 19521826 QXNAYNVLNYNZHR-UHFFFAOYSA-N 430.574 2.895 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)c1ccccc1)C2 19701282 GDTMJSTZXNFNMW-JOCHJYFZSA-N 447.514 2.648 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)c1ccccc1)C2 19701283 GDTMJSTZXNFNMW-QFIPXVFZSA-N 447.514 2.648 0 40 IFAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 19702249 QAJWZSREDDKGEC-ZDUSSCGKSA-N 426.498 2.514 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1Cl 20493340 OVHHPRPFAIANIM-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2O1 20622760 BCABVRCAODTOFP-UHFFFAOYSA-N 440.496 2.986 0 40 IFAB CCOC(=O)C(C)(Cc1ccc(C(C)(C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC 22057327 XEZLAQPYROJCSZ-UHFFFAOYSA-N 436.501 2.746 0 40 IFAB in-vitro Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 22914062 LRYKIFYUYKHXAA-XZOQPEGZSA-N 441.597 2.788 0 40 IFAB CCN1CCN([C@@H](c2cccc(OC)c2OC)c2nnnn2Cc2ccc(F)cc2)CC1 22929416 QNHULICZNDIOKF-NRFANRHFSA-N 440.523 2.605 0 40 IFAB CN1CCN(c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)CC1 23139722 LNBBYTBYVCLCLF-UHFFFAOYSA-N 433.481 2.919 0 40 IFAB CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)ccc1=O 23681256 UIHFWHVBJAGRCG-HOTGVXAUSA-N 432.546 2.857 0 40 IFAB Cc1cc(Cl)c(C(C)C)cc1OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 24039192 LJPQSEJASFPGQH-CYBMUJFWSA-N 426.922 2.843 0 40 IFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1cccc(OC(F)(F)F)c1 24369719 PPMBCQVGUWFURO-UHFFFAOYSA-N 431.436 2.564 0 40 IFAB Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1F 24713111 WUJQGIYFKJGSCS-CYBMUJFWSA-N 426.473 2.866 0 40 IFAB O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 25287006 SKPICOVVIKYIAO-UHFFFAOYSA-N 447.351 2.725 0 40 IFAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1cn2ccccc2n1 28834126 XPHHQJNKFBKFKW-UHFFFAOYSA-N 441.285 2.789 0 40 IFAB CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 30881614 SZKXNWFXCSYGBQ-ACRUOGEOSA-N 448.633 2.524 0 40 IFAB biogenic,in-vitro COc1cccc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)c1OC 33309737 XQVGYEBXJDCPNS-UHFFFAOYSA-N 448.435 2.949 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)c(C)c1 34854175 APBSRRFXRYKZRG-QFIPXVFZSA-N 441.597 2.804 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)cc1OC 36384580 BEHWMNCIXMOXJO-UHFFFAOYSA-N 438.521 2.618 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@@H](C)c4cccc(OC)c4)ncn3n2)cc1 51316945 RYQMPKBETDXKPY-INIZCTEOSA-N 447.495 2.843 0 40 IFAB CC[C@@H](c1nnc(SCc2nc(-c3ccco3)no2)n1CCN1CCOCC1)N(C)C 58157164 NTSOKJOHJDDPOU-HNNXBMFYSA-N 447.565 2.558 0 40 IFAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 58168351 ARGMHOSYWUAEMD-UHFFFAOYSA-N 430.534 2.654 0 40 IFAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)CN3CCN(C)CC3)c12 72283836 YLPVPFKEMDNNQQ-INIZCTEOSA-N 426.609 2.985 0 40 IFAB CC1(C)CN(CC(=O)NCc2ccco2)c2ccccc2N1CC(=O)NCc1ccco1 72308932 BPKMTAHWYVRIIE-UHFFFAOYSA-N 436.512 2.910 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 79098566 GCHTWIYCYACSIH-OALUTQOASA-N 438.613 2.521 0 40 IFAB COCCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)n1 79102706 XEWAWSINSDHEGD-UHFFFAOYSA-N 444.513 2.640 0 40 IFAB O=C(OCn1nnc2ccccc2c1=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 79183121 KHDIPRASSOBSKM-MSOLQXFVSA-N 432.480 2.688 0 40 IFAB Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C[C@@H]1CC[C@H](c2ccc(F)cc2)S1 95933650 PMSYXEXASXYPSH-VHGUBHOGSA-N 448.556 2.828 0 40 IFAB O=C(NC1CCCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251400 ZTZNUUAGNRJLAY-CYFREDJKSA-N 440.592 2.564 0 40 IFAB Cc1cc(C(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCC(C)C)[C@H]3CC2)[nH]n1 96263929 FCTCJLPWNHXKFL-OALUTQOASA-N 446.573 2.821 0 40 IFAB O=C(NCCc1ccncc1)c1cn(-c2nc(CNc3cccnc3)c3ccccn23)cn1 96267082 BKDKKLGQPSCRLZ-UHFFFAOYSA-N 438.495 2.895 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2=O)cc1Cl 100791438 UPWHPEORGVZSOG-OAGGEKHMSA-N 441.915 2.509 0 40 IFAB biogenic O=C1C[C@H](N(O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C(=O)N1c1cccc(Cl)c1 101027210 RMEDJTYVJVFEDI-IYBDPMFKSA-N 448.262 2.649 0 40 IFAB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220342984 ZVQZAGKOIMOXJN-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220839207 UFVNRAQOBQRDGG-SFHVURJKSA-N 429.484 2.866 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223027906 CSENTZAGPHLWTM-FQEVSTJZSA-N 445.585 2.623 0 40 IFAB Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)ccc1N1CCCC1=O 223853198 MWPJKMXBHQNKFW-UHFFFAOYSA-N 441.553 2.723 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCCn3ccnc3)ccc2C)cc1 224326842 WZRNBPJVFAINIU-UHFFFAOYSA-N 442.541 2.845 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225872844 FMVKJNKCJUFZSA-OAHLLOKOSA-N 438.571 2.621 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)Cc2sc(C)nc2C)(c2ccccc2)CC[C@@H]1O 257235348 GXKRIIMWYQBRCL-JTAQYXEDSA-N 429.586 2.796 0 40 IFAB Cc1nc(CN2C[C@@]3(CCN(C(=O)CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 306126924 FJFVZULNOLUCBK-NRFANRHFSA-N 447.582 2.806 0 40 IFAB Cc1nnc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)s1 408544319 GHUPIQUEUMEFEQ-UHFFFAOYSA-N 427.309 2.831 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408550226 BRZYBGZZJUCSSE-UHFFFAOYSA-N 438.267 2.864 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)COC)Cc2ccccc2)cc1C 408625906 XKHIPEUJMWIHIC-SFHVURJKSA-N 434.558 2.736 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Br)c1 409023705 CPBGJWHIMKIZSR-UHFFFAOYSA-N 441.303 2.625 0 40 IFAB Cc1noc(C)c1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555552 AZLZUGAYHIRQMS-XMMPIXPASA-N 441.528 2.766 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)N3[C@H]4CC[C@H]3CC(O)C4)ccc21 643583877 DVBSJTSBTBYBPH-SFTDATJTSA-N 443.588 2.848 0 40 IFAB COc1ccc(/C=C/c2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1OC 1501040198 DYARBQOTSQMSIJ-RCQQVGEISA-N 449.558 2.512 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(Cc4cc5ccccc5n4C)C[C@H]23)n1 1549161135 DOAVIBYYHZEOOP-QFIPXVFZSA-N 446.555 2.952 0 40 IFAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3cccnc3)C[C@@H]1CO2 1772594617 QCYPPPKRDWVCPK-LJQANCHMSA-N 447.495 2.511 0 40 IFAB COc1ccc(CNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)cc1 4791574 GQKWMMVOKKFMIJ-UHFFFAOYSA-N 429.476 2.871 0 40 IFAB biogenic CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F 6134024 KUHORVSKJQXMTQ-UHFFFAOYSA-N 442.470 2.814 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCCN(C)C)cc2c1 6135735 DSMMPCJLZSYLPE-UHFFFAOYSA-N 439.585 2.760 0 40 IFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCC(Cc2ccccc2)CC1 8025703 YANIVSKPLRBUGX-QGZVFWFLSA-N 427.570 2.566 0 40 IFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1ccc(Cl)cc1Cl 8780324 BEPHKSQGWPJAHR-GFCCVEGCSA-N 442.368 2.751 0 40 IFAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2n1 9467253 BAEVPLAMOHSNBL-QGZVFWFLSA-N 444.582 2.751 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1C 9512082 HXQNAINWGQERFW-NRFANRHFSA-N 444.553 2.735 0 40 IFAB CCOc1ccc(C(C)=O)cc1CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9614187 GUUFXILHDARXCF-UHFFFAOYSA-N 436.512 2.795 0 40 IFAB CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)cc1OCC 9828367 KPLXPRZWDARONI-UHFFFAOYSA-N 432.542 2.602 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2o1 9866491 VPBKJZOIPUCKAE-NPMABZOXSA-N 435.436 2.806 0 40 IFAB O=C(CSc1nnnn1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 9868019 DICQUAFWYYYJEO-UHFFFAOYSA-N 446.418 2.993 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2Cl)n2nnnc2N1 10232223 APHNKMSZCCBIFY-INIZCTEOSA-N 440.803 2.560 0 40 IFAB COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 12006073 NSLRHZCWGQUOQG-LLVKDONJSA-N 436.873 2.691 0 40 IFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)[C@@H]2CCOC2)C1 12156778 YPJLJTXREKSYLX-FHJLPGHOSA-N 432.492 2.917 0 40 IFAB CCOC(=O)c1sc(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)nc1C 12630443 BZHIEPPDVVNOFC-MRXNPFEDSA-N 447.513 2.565 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@@H](C)c3ccccc3C)CC2)cc1 12741284 ZDERSAIKPSWULR-FQEVSTJZSA-N 429.586 2.877 0 40 IFAB COc1cc(CN(C2CC2)S(=O)(=O)c2ccc(C(N)=O)cc2)ccc1OC(F)F 12812258 ALAUVHDIIMTYFH-UHFFFAOYSA-N 426.441 2.749 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccc(OC)c(OC)c2OC)cc1OC 12872603 DBLVJGNIRUFKKO-OAHLLOKOSA-N 432.517 2.866 0 40 IFAB CCSc1ccccc1C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 12980065 LRWZARTXWCQKCW-INIZCTEOSA-N 425.572 2.914 0 40 IFAB Cc1ccc(NC(=O)COC(=O)COc2ccccc2)cc1S(=O)(=O)N1CCCCC1 13149437 BAEQIMMNQMYXIU-UHFFFAOYSA-N 446.525 2.730 0 40 IFAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 13364577 BEQGMOUBCZVVMC-UHFFFAOYSA-N 428.470 2.832 0 40 IFAB Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 14405343 WGYZIOKYVRMCLT-LJQANCHMSA-N 428.489 2.519 0 40 IFAB COc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15085450 BBPDTMXIDLFGQP-UHFFFAOYSA-N 439.537 2.793 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 15391513 NSCBUZIOOXQHKP-UHFFFAOYSA-N 442.515 2.641 0 40 IFAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1 18037277 HMOOHAJODBTTHZ-IXTNQLDESA-N 429.472 2.831 0 40 IFAB CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC 19621517 WPKLVHLUNBVPME-UHFFFAOYSA-N 426.560 2.525 0 40 IFAB Cc1nc(COc2ccccc2)sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 19688884 NYRIMUSMHNBOFZ-UHFFFAOYSA-N 431.539 2.650 0 40 IFAB Cc1cnc(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)c2ccccc2)C3)s1 19749576 HQANULILRIRTHM-LJQANCHMSA-N 441.578 2.870 0 40 IFAB O=C(C[C@@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCc1ccccc1 19819501 ACCLUOCOBSXPAC-OAQYLSRUSA-N 428.496 2.917 0 40 IFAB CCN1CCN([C@@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1 19826323 SGWOYAKREXNCGQ-QHCPKHFHSA-N 443.555 2.598 0 40 IFAB aggregator CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)ccc21 22680789 HXVXHWHCLZXELO-IBGZPJMESA-N 440.569 2.974 0 40 IFAB C[C@H]1CN(CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@H](C)O1 24833931 WUHSYHAIJUXOGS-ROUUACIJSA-N 435.524 2.712 0 40 IFAB O=C1c2ccccc2C(=O)N1CCCSc1ccc(S(=O)(=O)N2CCCC2)cn1 26211212 QIUWCNZMLCFCBK-UHFFFAOYSA-N 431.539 2.645 0 40 IFAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 29480013 ULIXMLDYUUNWGQ-HNNXBMFYSA-N 428.514 2.845 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCn4c3nc3ccccc34)C2)s1 30661992 IIRLUCAZMWXIFC-HNNXBMFYSA-N 430.555 2.854 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccc(F)cc1F 36692648 VWUPFUPEVTWLPC-GFCCVEGCSA-N 449.483 2.585 0 40 IFAB O=C(NCc1ccc(-n2cccn2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 40105158 XZVBOEIIIGIFFR-GOSISDBHSA-N 442.516 2.729 0 40 IFAB C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 44847202 PAELHEOOTGCEQT-DNVCBOLYSA-N 430.526 2.806 0 40 IFAB C[C@@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 72274685 ZEJWSNKLFPCMHR-PSLXWICFSA-N 427.501 2.620 0 40 IFAB COc1ccc2nc(CN3CCc4c(O)nc(N5C[C@H](C)O[C@H](C)C5)nc4C3)ccc2c1 72335594 MNYOAYLEVBYXGA-IYBDPMFKSA-N 435.528 2.911 0 40 IFAB Cc1cc(CN2CCC3(CC2)O[C@@H](C(=O)NCc2ccccn2)Cn2ccnc23)oc1C 96243863 GGMRXXFOSIDNAR-OAQYLSRUSA-N 435.528 2.694 0 40 IFAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)c1 101415359 MNUZQXZGLGFDJP-VUMQFKOGSA-N 443.503 2.822 0 40 IFAB CCOc1ccc2sc(NC(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc2c1 103557876 FCMHZZDHSQSHLR-IYVPYFHTSA-N 426.498 2.624 0 40 IFAB COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Cl 214685942 BDLJOODVLRXJCE-MDWZMJQESA-N 431.297 2.897 0 40 IFAB Cc1cc(C)cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224308752 RIRCDIGGXSCJIF-UHFFFAOYSA-N 432.542 2.662 0 40 IFAB Cn1cc(CC(=O)N2CCC(n3c(=O)[nH]c4ccc(F)cc4c3=O)CC2)c2ccccc21 225761224 FEOMWDYSCFXONI-UHFFFAOYSA-N 434.471 2.727 0 40 IFAB NC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 225848414 CBAVQBIQNPJIPW-UHFFFAOYSA-N 435.505 2.718 0 40 IFAB CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccc(Cl)cc2Cl)CC1 252500168 SOFMGXJUXZLLPU-INIZCTEOSA-N 432.392 2.517 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 408588394 FXZJRXMYFZVWAD-UHFFFAOYSA-N 432.542 2.873 0 40 IFAB COC(=O)c1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(OC)cc3)C2=O)cc1 409215612 CHXHUJLLPKERTH-WQRHYEAKSA-N 440.477 2.835 0 40 IFAB OC1(COc2ccccc2F)CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 585274557 ZZDPOUSXDDUEIL-UHFFFAOYSA-N 444.547 2.943 0 40 IFAB CN=c1[nH]c([C@H]2CCCCN2Cc2ccc(NC(C)=O)cc2)nc2c1CCN(C(C)=O)C2 2037633234 IORADQAQULUULL-JOCHJYFZSA-N 436.560 2.530 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N[C@H]1CCC[C@@H]1Cc1ccco1 2099882 AUDRWADRXKYILE-BNDYYXHWSA-N 437.540 2.695 0 40 IFAB biogenic COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)cc1 2258205 CBLQWXIPCHOKEC-YVLHZVERSA-N 430.327 2.565 0 40 IFAB Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 2664667 SVCRQRIFOGZORK-UHFFFAOYSA-N 431.992 2.730 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3O[C@]3(O)C=C(C)OC(=O)[C@@H]23)OCO4)cc(OC)c1OC 5758989 HLSYKUZMRGENJH-TXTKFYIRSA-N 442.420 2.731 0 40 IFAB Cc1ccc(C)c(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 6528178 BMGUEARCRKNCHZ-UHFFFAOYSA-N 431.540 2.731 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)n1 8676962 GZVMDVGWBCXIBT-UHFFFAOYSA-N 432.531 2.572 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCc4ccccc43)CC2=O)cc1 9223099 UULFUWJQQSIIJX-SFHVURJKSA-N 441.553 2.659 0 40 IFAB COC(=O)C1CCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc(OC)cc4)nc32)CC1 9301151 WIVULPUHGYOTSD-INIZCTEOSA-N 443.525 2.845 0 40 IFAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)c1 9302381 UANBIZRWJDUIRD-UHFFFAOYSA-N 430.559 2.858 0 40 IFAB O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1 9321063 JOKJIZZYPYLCFC-UHFFFAOYSA-N 431.471 2.651 0 40 IFAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc(N2CCCC2=O)cc1 9504178 YNHGSNCCWRVSQO-UHFFFAOYSA-N 436.512 2.808 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)NC3CCCCC3)CC2)cc1 9628431 XBQSSFPQVDWKBQ-QGZVFWFLSA-N 436.574 2.776 0 40 IFAB Cc1cc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 9672700 DKWCSEGHEGZSTA-DLBZAZTESA-N 434.583 2.830 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](c1ccccc1)N1CCCCC1 9814239 IWEGLPXBHQWOOO-QFIPXVFZSA-N 443.569 2.873 0 40 IFAB COC(=O)c1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1 9828716 LWQHBDFHEYYLII-UHFFFAOYSA-N 431.495 2.912 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 10167146 BTNDEMFNJCABMW-NSHDSACASA-N 429.395 2.686 0 40 IFAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(Br)o4)cnc32)cc1C 10252166 WQSACYKQGOVKFT-UHFFFAOYSA-N 428.246 2.938 0 40 IFAB C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 12525297 CLLRCOYOLBPFFJ-CQSZACIVSA-N 435.509 2.785 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1 12536156 LFALQYZAPSLHDP-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CCN(c2ccccc2)CC1 12553357 QEWBZNJTIUXSIU-UHFFFAOYSA-N 434.462 2.925 0 40 IFAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 12798370 XYYLCFSXDFVUPU-UHFFFAOYSA-N 434.489 2.945 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(OC)c1 12995541 UTRDWOFDDDDVLE-VQHVLOKHSA-N 427.476 2.639 0 40 IFAB COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 13566253 OCDMBKXEMGDWOV-FQEVSTJZSA-N 428.441 2.572 0 40 IFAB Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(C)(=O)=O)nc12 13793616 DOZKVQZRQVYHML-HOTGVXAUSA-N 437.587 2.931 0 40 IFAB COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2C)c1 13956069 FHEZNUPCSPPUHR-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB O=C(/C=C/c1ccccc1)NCCC(=O)NCC(=O)Nc1ccccc1Br 14015280 ZLIXAIJTRLINME-ZHACJKMWSA-N 430.302 2.724 0 40 IFAB O=C(O)CCC(=O)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 15675766 ZTLMQESXMYMTEJ-AWEZNQCLSA-N 435.362 2.969 0 40 IFAB biogenic,in-vitro CNC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)CCO1 19697882 ZWMYXVYMLKHXDV-AWEZNQCLSA-N 435.527 2.628 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19738963 IWNNTUKXGWSFJH-SFHVURJKSA-N 448.502 2.616 0 40 IFAB CN1CCc2c(sc3nc(NCCOCCO)n(-c4cccc(Cl)c4)c(=O)c23)C1 20444074 PKHOXNOYKUFRCT-UHFFFAOYSA-N 434.949 2.509 0 40 IFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN1C(=O)COc2ccc(Cl)cc21 23694610 XPXQOWJDVMEZKM-AWEZNQCLSA-N 425.876 2.866 0 40 IFAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 23817179 YSDKUDLSFYIRNI-LXGFQCHUSA-N 449.592 2.606 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ncccc1C)n2C 24989081 IWHKYXFAYGMFSX-UHFFFAOYSA-N 429.546 2.879 0 40 IFAB O=C(COc1ccccc1CNC[C@H](c1cccs1)N1CCOCC1)N1CCCC1 25261330 YUIZNSUQRYWBTH-HXUWFJFHSA-N 429.586 2.912 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1 26530831 WEIYCLHAUVWFHQ-UHFFFAOYSA-N 443.861 2.731 0 40 IFAB COC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 29832427 WMSJOWPHTFTFGP-UHFFFAOYSA-N 433.313 2.880 0 40 IFAB COC(=O)c1ccc(OCc2noc(C(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 32074773 TWHHFSSOZPTFNL-UHFFFAOYSA-N 440.431 2.537 0 40 IFAB C[C@H](NC(=O)CSc1nnc(CCC(N)=O)n1Cc1ccco1)c1ccc(F)cc1F 36692647 VWUPFUPEVTWLPC-LBPRGKRZSA-N 449.483 2.585 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCOCC1 44885951 HZAUCHDHROKZCP-QGZVFWFLSA-N 432.542 2.824 0 40 IFAB CCOc1ccc(CNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44912742 OHSQTFVMORBHOD-LJQANCHMSA-N 438.933 2.972 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)CC1 51318030 ZYMYPDYLXQYDDJ-UHFFFAOYSA-N 436.310 2.689 0 40 IFAB CC(=O)Nc1ccc2c(COC(=O)CCn3c(=O)n(C)c4ccccc43)cc(=O)oc2c1 57710163 OFYPYRZIJWUUAP-UHFFFAOYSA-N 435.436 2.538 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850253 YDQKTUUAXDGORG-QGZVFWFLSA-N 434.518 2.542 0 40 IFAB O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)C(F)(F)F)[C@@](O)(c2ccc(F)cc2)N1 103215137 HBVOHZHYHIVVHP-DAYGRLMNSA-N 426.322 2.501 0 40 IFAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@@H](C)O1 107508494 KMJKZDCFYYZHCX-KSZLIROESA-N 443.510 2.770 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224539588 GIZQYQXGERCUQW-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB COc1ccc(N(CCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)cc1 224771864 ZGEVUJIUXSJHGA-UHFFFAOYSA-N 433.530 2.582 0 40 IFAB CN1CCN(C(=O)COC[C@@H]2CCCO2)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257290646 QDUJTRSYHIVWIV-PMACEKPBSA-N 428.554 2.822 0 40 IFAB Cc1nc(CN2CC[C@]3(CN(C(=O)N(C)C)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306132028 KVYASFZTGNRYCH-DYESRHJHSA-N 430.578 2.729 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 408616777 BYQKCAQFZBOBCN-UHFFFAOYSA-N 433.530 2.582 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)N1CCOCC1 408693297 NAVHYGPYTZMVJF-UHFFFAOYSA-N 434.514 2.756 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OC 409225733 KPZMKJPXKBVMEV-LFIBNONCSA-N 425.441 2.634 0 40 IFAB O=C(NCCc1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 2646700 KNZDDPHBPZELLD-UHFFFAOYSA-N 443.352 2.987 0 40 IFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(OC)cc3OC)ccc12 2712232 GTHLOVGVIMZQLG-UHFFFAOYSA-N 440.452 2.599 0 40 IFAB O=C(CN1CC(=O)Nc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3433913 CRYVJSKZWNJRMX-UHFFFAOYSA-N 434.418 2.939 0 40 IFAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(N2CCCC2=O)c1 8751207 ONJVCMBLEAJFEP-HXUWFJFHSA-N 430.464 2.641 0 40 IFAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 9243517 GKCWKJVOFHXFKF-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1nc2ccccc2o1 9415180 BGNVVTIANQCASS-ROJDOSBLSA-N 428.514 2.673 0 40 IFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)cc1C 9416544 SPNNMYVDNCOYDY-UHFFFAOYSA-N 431.452 2.609 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)CCc2ccco2)c(=O)[nH]c(=O)n1Cc1ccccc1 9582754 LSMDBWSRBGLCHO-UHFFFAOYSA-N 434.452 2.519 0 40 IFAB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 9612403 RSRYETPJWJGTIN-OAHLLOKOSA-N 446.550 2.526 0 40 IFAB NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccc2c(c1)OCO2 9739517 LKLRBUPUIYWTEP-UHFFFAOYSA-N 444.234 2.910 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 9805528 LSQXEIAJPUYUEJ-KXBFYZLASA-N 448.878 2.867 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(C(=O)OC)ccc2Cl)Oc2ccccc21 10009224 ZAGQBBBIXIAKIO-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB Cc1nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c(O)c1F 12161898 LLVIAKPRXOLGQH-QGZVFWFLSA-N 446.504 2.582 0 40 IFAB CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)CC1 12799253 WLVHOQQHXXLBKN-UHFFFAOYSA-N 431.558 2.734 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)cc1 12910983 YDAWSAPDTOIANP-IBGZPJMESA-N 435.615 2.876 0 40 IFAB CCOc1ccc(NC(=O)NCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 12930263 ZHICGDCRYDIZCT-UHFFFAOYSA-N 445.516 2.982 0 40 IFAB COc1ccc(-c2n[nH]c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 12941106 MQFZDOVKUSBDGW-UHFFFAOYSA-N 427.486 2.517 0 40 IFAB O=C(c1ccccc1F)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 13008765 NDXLCGHGWOVYPQ-UHFFFAOYSA-N 426.517 2.961 0 40 IFAB COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2OC)N2CCCC2)cc1 13010615 PFQBFNZJYJLJEQ-OAQYLSRUSA-N 425.529 2.777 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc(Cl)cn1 13572474 NGHZHDKFNAPOEH-OLZOCXBDSA-N 434.974 2.973 0 40 IFAB COC(=O)C1CCN(C(=O)CN(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)CC1 14247948 XBMKVDXUHUHJBH-UHFFFAOYSA-N 426.460 2.673 0 40 IFAB Cc1nc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Cl)cc1Cl 16051208 BSKVGHKFXRORGT-RYUDHWBXSA-N 442.299 2.744 0 40 IFAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)c2ccccc2O1 18940855 HGPCXWSIMUPCKK-CYBMUJFWSA-N 445.360 2.993 0 40 IFAB Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCN(C(=O)CN4CCCC4=O)C3)c2)c1 19235430 ALVNDTRRDUNNOM-SANMLTNESA-N 433.552 2.921 0 40 IFAB COc1ccc([C@@H]2CN(Cc3ccc(OC)c(CO)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 19285500 COOFRIOQLJNMEQ-FCHUYYIVSA-N 435.524 2.971 0 40 IFAB CC1(C)C[C@H](CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C(=O)O1 19460915 QXZYVBHPTYPYJK-XDQVBPFNSA-N 429.443 2.536 0 40 IFAB Cc1nn2c([C@H]3CCN(C(=O)CCc4ccccc4F)C3)ccnc2c1Cn1cncn1 19707642 GREKBEHQOXHDTP-SFHVURJKSA-N 433.491 2.765 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)C3CCCCC3)nc2n(C)c1=O 19743616 UTWXYHVOYVOKSK-HNNXBMFYSA-N 438.450 2.895 0 40 IFAB CCN(CC)CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)C3)C1 19743858 BIOMRRPKHNDBIL-NRFANRHFSA-N 449.599 2.965 0 40 IFAB CNc1nc(C2CCN(C(=O)c3sc(C)nc3C)CC2)nc2c1CCN(C(C)=O)C2 19752461 UILJEJKQIFCUCU-UHFFFAOYSA-N 428.562 2.516 0 40 IFAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2c[nH]nc2C)nc1C 19755281 WAYCKVKOELOPJE-IBGZPJMESA-N 434.500 2.732 0 40 IFAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005646 HERQQPATWJBJHW-QFBILLFUSA-N 434.558 2.898 0 40 IFAB CN(C)C(=O)[C@H]1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)c2ccccc2O1 21477940 MERHETXLNWGKGB-OAQYLSRUSA-N 434.496 2.927 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NC[C@@H](c1ccccc1Cl)N1CCCC1 22619378 BOCNKJBTDFRUFA-SFHVURJKSA-N 429.904 2.752 0 40 IFAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(c2ccc3nnnn3n2)CC1 25620243 VHUFBYNDWAZGGT-FQEVSTJZSA-N 437.504 2.842 0 40 IFAB CSc1ncc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)n1-c1ccc(F)cc1 29348508 NZJNWPDGPBPZAC-HXUWFJFHSA-N 436.578 2.671 0 40 IFAB Cc1cccc(N2N=C(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CCC2=O)c1 32999980 KWNMQUQMDKALBV-IBGZPJMESA-N 426.542 2.729 0 40 IFAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N[C@H](CO)Cc2ccccc2)C1=O 33589382 DKTBXPJZLOCJBY-HJHGFDQJSA-N 440.521 2.841 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccc(Cl)cc1 34858779 BZAXRXGZDUKFCA-UHFFFAOYSA-N 448.397 2.678 0 40 IFAB CC1=C[C@@H](CNCCN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 35442720 XRAQNZFOTJXMSA-ACRUOGEOSA-N 442.608 2.789 0 40 IFAB biogenic,in-vitro O=C(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)[C@H]1CC(=O)N(c2ccccc2)C1 38695712 HEULHYDDIWNFAW-AWEZNQCLSA-N 433.917 2.872 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38848855 GJVLANVOQSGXSC-HXUWFJFHSA-N 432.542 2.836 0 40 IFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2n1CCC2)c1ccc(F)cc1 40037545 UYNVKGWNIDFWLK-FQEVSTJZSA-N 446.486 2.502 0 40 IFAB O=S(=O)(NC1CCN(Cc2nc(Cc3ccccc3)no2)CC1)c1ccc(F)cc1 40154058 LHKHPUWLLCKYRI-UHFFFAOYSA-N 430.505 2.742 0 40 IFAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccccc1Cl 49404378 APAKNOSDRMJYMT-UHFFFAOYSA-N 428.905 2.939 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 57383516 QOXTVKDYZNMYNH-KRWDZBQOSA-N 431.558 2.987 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)NCc3ccc(-n4cncn4)nc3)cc2F)C[C@H](C)O1 57853904 AFUUPIKGAVBBNT-GJZGRUSLSA-N 425.468 2.737 0 40 IFAB CCOC(=O)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)Cc1ccccc1 58003367 WYBYWCOUWUDEJE-LJQANCHMSA-N 432.542 2.525 0 40 IFAB C[C@H](C(=O)Nc1cccc(NC(=O)NCc2ccnc(-n3cccn3)c2)c1)n1cccn1 58281084 BVOKGSSRKMMFAU-MRXNPFEDSA-N 430.472 2.985 0 40 IFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO 67300830 HBWPNGAGCGJVRX-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB COc1ccc(NC(=O)C2=NN(CC(=O)Nc3cccc(SC)c3)C(=O)CC2)cc1 67336743 DQLAUZCUVNTUNK-UHFFFAOYSA-N 426.498 2.973 0 40 IFAB CCc1oc(C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1COC 72338873 OKDYBCOVUIONPS-FQEVSTJZSA-N 433.530 2.571 0 40 IFAB CC(C)(C(=O)OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H](O)c1cccc(O)c1 89621102 OVVJSTGTGZKZOW-FQEVSTJZSA-N 426.469 2.526 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 113941019 RBPCXGXOHJKTEG-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH]c(N3CCCC[C@@H]3C)nc(=O)c21 139105665 WZSYRFYNHLHSHA-WCQYABFASA-N 445.907 2.875 0 40 IFAB CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)s1 225304898 XFGPUQAZZFRZIC-UHFFFAOYSA-N 426.589 2.749 0 40 IFAB Cc1ccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1 225522409 ACTIBAYZJFQTEE-IBGZPJMESA-N 445.585 2.703 0 40 IFAB Cc1noc(-c2ccn3c(CNC(=O)c4cc(-c5ccc(F)cc5)nn4C)nnc3c2)n1 225744961 MPCCTMASWPHIKR-UHFFFAOYSA-N 432.419 2.557 0 40 IFAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 253590751 FHRVTIBMWSJZFC-SIIHOXLZSA-N 425.533 2.685 0 40 IFAB CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)CC1 257319854 VUIAPVPFNTWBIT-UHFFFAOYSA-N 427.448 2.576 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 409068128 KGQHOUJQUAJFOM-WSBKAMHLSA-O 448.474 2.859 0 40 IFAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1OCC 409201041 LLADZBPTROIWPO-JQFNYASXSA-N 434.514 2.816 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 532100259 HRRGQPYODWTGBS-HSZRJFAPSA-N 445.585 2.972 0 40 IFAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@@H]3CCCCN3CCO)CC2)n1 585263371 FWFLFWBNMVPRID-SFHVURJKSA-N 444.605 2.846 0 40 IFAB CN(C)CCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 585281953 VNAZRVYXPHCRKI-GOTSBHOMSA-N 434.964 2.657 0 40 IFAB Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3ccccc3C)CC2)C1 585287816 SKYBCOKZUNGFKZ-SANMLTNESA-N 440.584 2.777 0 40 IFAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 675083734 LWBGOYIMMPIRPI-RCCFBDPRSA-N 446.500 2.623 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N(CCO)C[C@@H](O)Cn1c2ccccc2c2ccccc21 794377 DWAPVFVWQMMKKT-GOSISDBHSA-N 442.512 2.978 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 2643483 KKMSRIAJMDZNQO-CYBMUJFWSA-N 431.286 2.700 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nnc(N)s2)c(C(=O)OCC)c1C 3571136 XVUJIHZXSDGZHC-UHFFFAOYSA-N 430.533 2.574 0 40 IFAB COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCC(=O)NC(C)C)n2)cc1 6190555 QSVIUEFRVXQVRC-UHFFFAOYSA-N 431.436 2.859 0 40 IFAB Cc1cc(NC(=O)CSCC(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)no1 8825109 UWIDKBFXYOXRDA-SNVBAGLBSA-N 436.515 2.874 0 40 IFAB COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)cc1 9327542 YBQNBOZRTNGMAF-UHFFFAOYSA-N 448.479 2.505 0 40 IFAB NC(=O)c1nn(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(=O)c2ccccc12 9469605 NXIIDFWWOBMVPQ-UHFFFAOYSA-N 439.903 2.778 0 40 IFAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)C1=NS(=O)(=O)c2ccccc21 9495876 ZONQPBIPARUQOB-UHFFFAOYSA-N 427.482 2.748 0 40 IFAB Cc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)on2)cc1 9638037 SNCNGTOZCOMNSS-UHFFFAOYSA-N 427.482 2.923 0 40 IFAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1CC(=O)N(Cc2ccco2)C1 9671004 UQXULVBDGABJNE-AWEZNQCLSA-N 426.498 2.713 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc3ccc(-c4cccc(OC)c4)nn23)s1 9829143 FHXQUPWWRXUDJP-UHFFFAOYSA-N 427.515 2.945 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)n1 9874797 HYLWIWHLAMGLJH-NRFANRHFSA-N 435.513 2.851 0 40 IFAB CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(C(=O)OC)Nc3nnnn32)cc1 10232360 VQEIRBAASUYWLF-FQEVSTJZSA-N 449.467 2.578 0 40 IFAB Cc1cc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)no1 11726725 XDTWRGOSFDJHKL-UHFFFAOYSA-N 425.829 2.819 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)c4cnn(CC)c4)C3)cc2n1 12276603 RLMQLSGPXJBQAB-GFCCVEGCSA-N 442.467 2.705 0 40 IFAB CSCC[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 12874133 CDSUCECIBOHFJN-JXFKEZNVSA-N 448.633 2.572 0 40 IFAB biogenic CNC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 12914270 LVGUNXDSDICPQU-UHFFFAOYSA-N 429.542 2.792 0 40 IFAB CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(=O)O 12945989 IQABIBBKGPFJAL-FQEVSTJZSA-N 436.574 2.582 0 40 IFAB CCOc1ccccc1N1CCN([C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)CC1 14733175 UXIYGBLILMQZEM-LJQANCHMSA-N 437.588 2.734 0 40 IFAB C[C@H](c1nnc(SCC(=O)N2CCc3ccccc32)n1C)N1C(=O)COc2ccccc21 15019110 MWVVZNAJONNUJO-OAHLLOKOSA-N 449.536 2.983 0 40 IFAB Cc1cc(C)nc(N2CCC(N[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 15021544 ZGFHWTSDBWACSU-SFHVURJKSA-N 431.899 2.776 0 40 IFAB CCc1[nH]c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)c1C(=O)OC 15631099 ZWIGKUDHHCMAGJ-UHFFFAOYSA-N 445.497 2.996 0 40 IFAB COc1cc(C(=O)Nc2ccc(Br)cc2F)cc(OC)c1OCC(N)=O 15657966 DGSTXDYIZWYJAE-UHFFFAOYSA-N 427.226 2.722 0 40 IFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(OC)c2)CC1 17095005 ACPYDROJZGBKKD-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB COc1cc2nc(CN3CCN(C(=O)c4ccccc4Cl)CC3)[nH]c(=O)c2cc1OC 18933280 VQQHXMMKWZNODA-UHFFFAOYSA-N 442.903 2.552 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)N(Cc1ccc(OC)cc1)C1CC1 19354767 FEMHQPZEUBFNGF-UHFFFAOYSA-N 431.510 2.837 0 40 IFAB Cc1nc(N(C)C)ncc1C(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 19702427 UJAXNQXHDBIAMS-CQSZACIVSA-N 438.557 2.792 0 40 IFAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)C(C)(C)Oc1ccc(OC)cc1)C2 19707466 XZHNDUOVLRGRAK-GOSISDBHSA-N 425.533 2.694 0 40 IFAB CNc1nc([C@H]2CCCCN2CC(=O)N(C)C2CCCCC2)nc2c1CCN(C(C)=O)C2 19708560 OHSZYFOKSHISMD-OAQYLSRUSA-N 442.608 2.741 0 40 IFAB O=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)c3cnccn3)CCO2)nc2ccccc12 19762743 ITLXZBIBPSMFHV-LJQANCHMSA-N 446.492 2.947 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C(=O)c3cnccn3)nc2C)c1 19764587 BMHGDEXOIXGDTH-NRFANRHFSA-N 446.511 2.881 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc(C)c1 20801576 VDVSVDWZNRJAPU-RTWAWAEBSA-N 438.503 2.663 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 21010332 APHRSBJADIFTIZ-CQSZACIVSA-N 437.465 2.679 0 40 IFAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 21155541 SEWYROZJZJWWKH-OAQYLSRUSA-N 446.507 2.608 0 40 IFAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)o2)cc1 21625784 KXXXCDDBVJBVGT-NEPJUHHUSA-N 436.515 2.959 0 40 IFAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2nc3ccccc3s2)CC1 22785690 VQVVUEWXPWKSEQ-CQSZACIVSA-N 436.541 2.611 0 40 IFAB O=C(O)C[C@H]1S[C@@]2(C(=O)Nc3ccc(Br)cc32)N(c2ccc(O)cc2)C1=O 22996497 JQIHEIDOZZYZID-KDOFPFPSSA-N 449.282 2.883 0 40 IFAB COc1cc(N2C[C@H](C(=O)Nc3cccc(-c4nnco4)c3)CC2=O)cc(OC)c1OC 23146665 XTWMPKRIYCZGFQ-CQSZACIVSA-N 438.440 2.754 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)Nc1ccccc1Cl 24236165 IECDZMBEPIDDDL-CQSZACIVSA-N 442.855 2.911 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCSc2ccccc21 27347373 MSZUXZSZVCZXFU-UHFFFAOYSA-N 431.583 2.828 0 40 IFAB Cc1ccc(C(=O)CSc2nc(=O)n([C@@H]3CCS(=O)(=O)C3)c3c2CCC3)cc1F 27991882 DGUZQEVSBHRCPK-CQSZACIVSA-N 436.530 2.514 0 40 IFAB O=C1CCCN1c1ccc(CN2C(=O)c3cc(Br)ccc3S2(=O)=O)cc1 32765226 JVFGQUPXWNEWAA-UHFFFAOYSA-N 435.299 2.921 0 40 IFAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 34888210 GMUNILHLTBEHKF-CVNFFVDQSA-N 449.532 2.888 0 40 IFAB CN(C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCCc2ccccc21 36386813 TVRIWMIYKMOHQS-LJQANCHMSA-N 433.599 2.590 0 40 IFAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44852693 MVFZNYDLDZAWRR-KUHUBIRLSA-N 438.933 2.759 0 40 IFAB CCOC(=O)c1sc(NC(=O)Cn2nc(-c3ccc(OC)cc3F)ccc2=O)nc1C 49551046 LLUDNGBPEYYAOO-UHFFFAOYSA-N 446.460 2.638 0 40 IFAB Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C 49574160 PVKGBLZKQPRTLM-UHFFFAOYSA-N 434.283 2.994 0 40 IFAB COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(/C)C(=O)O)OC2=O)[C@]3(OC(C)=O)CC1 53224947 VDGOFNMYZYBUDT-LBXNMEHQSA-N 432.469 2.871 0 40 IFAB biogenic,in-vitro O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 58085873 XRBSUBBULCVGMB-OALUTQOASA-N 435.981 2.542 0 40 IFAB CCN1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)CC1 58776131 CCQHXWVAFZIXCO-JOCHJYFZSA-N 436.600 2.836 0 40 IFAB O=C(CSc1nnc2c(=O)n(Cc3ccccc3F)ccn12)NCc1cccs1 65534862 IADZRHJYWHSKKY-UHFFFAOYSA-N 429.502 2.548 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(S[C@H](C)C(=O)Nc2cccnc2)n1C 72191635 YJYDFILDPRXEJC-CYBMUJFWSA-N 426.502 2.519 0 40 IFAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(=O)N[C@H](C)c1nncn1C 72296089 LETOJNBQVLGWMX-GFCCVEGCSA-N 427.486 2.536 0 40 IFAB CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)Cc1cccc(O)c1 72308181 LIZPENRIJCMOIB-XDHOZWIPSA-N 443.500 2.816 0 40 IFAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccncc4)CC3)n2)CC1 72335954 CXYBSEWRVWAVIR-UHFFFAOYSA-N 443.573 2.531 0 40 IFAB NC(=O)[C@@H]1CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)C1 95360821 OMPBPXWLPOXAEO-GFCCVEGCSA-N 434.265 2.788 0 40 IFAB C[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCN1C1CCN(C)CC1 95982988 NVHSHPVZCGDZSB-FQEVSTJZSA-N 445.677 2.910 0 40 IFAB CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 96262304 NIQZXRYZNJGGGA-XZOQPEGZSA-N 448.567 2.675 0 40 IFAB COCCN1Cc2c(C(=O)Nc3cccc(Cl)c3)ncn2-c2ccccc2S1(=O)=O 96266173 UQHGFRGPCOZYDU-UHFFFAOYSA-N 446.916 2.929 0 40 IFAB CCn1[nH]c(=O)/c(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(OC)cc1 100141766 CADQNNJNBWGYBC-QQTULTPQSA-N 431.496 2.902 0 40 IFAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 100146506 UZOQQYAEEPJMRW-ZDDRJCDVSA-N 440.908 2.512 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Sc4[nH]c(=O)sc4[C@@]3(C)CC)C2=O)cc1 101261815 XWCNBSANBFCENW-IZDJOXEWSA-N 432.523 2.945 0 40 IFAB COC(=O)CCC(=O)[C@H](C(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)OC 104274386 WLXIRJYJEYZDHR-KRWDZBQOSA-N 432.256 2.593 0 40 IFAB CSc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)s1 222612090 YBPWTUMKICXKMY-ZDUSSCGKSA-N 442.588 2.723 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CCOc2ccccc21 222783143 WJBIAMUTYPYAJO-UHFFFAOYSA-N 430.526 2.974 0 40 IFAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224308671 WDFODWLZWNCQLV-GOSISDBHSA-N 432.542 2.742 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 225527485 GGHOTIGNRPTGKW-GOSISDBHSA-N 429.542 2.736 0 40 IFAB CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 408598364 ZLZCEBGCWGJOQF-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 408638825 TTWPYKBKXGWOPS-RHSMWYFYSA-N 425.437 2.649 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(O)c(Br)c2)C1=O 409247535 DDBGZJFYIFUBKL-NTEUORMPSA-N 446.257 2.695 0 40 IFAB O=C1C[C@@H](c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)N2NC=NC2=N1 409369992 IXMCOGTXUAPEOS-INIZCTEOSA-N 442.273 2.643 0 40 IFAB O=C(C1CC1)[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCO1 513787543 ARFHLGVKIMYOAF-INIZCTEOSA-N 426.473 2.955 0 40 IFAB O=C(c1ccccc1)N1CCO[C@@]2(C1)C(=O)N(CC1CCOCC1)C[C@H]2c1ccccc1 585106666 DZZDPFZGSDMSSS-JYFHCDHNSA-N 434.536 2.950 0 40 IFAB CCOc1ccc(C(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1OCC 585147597 DIKSBJTYNQJDJX-UHFFFAOYSA-N 445.541 2.948 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4C)C3)CC2)cc1 585285089 CHOWAHPBBNCAGU-AREMUKBSSA-N 440.584 2.777 0 40 IFAB O=C(c1ccc(O)nn1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573980 VHSVMVBDZDZHNV-UHFFFAOYSA-N 425.485 2.753 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCCn1cccn1)C2 643576313 UIKBKIGBOGGVLC-UHFFFAOYSA-N 428.533 2.770 0 40 IFAB COc1cc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)ccc1OCC(N)=O 1547204188 MHIYDWWHDRFBKB-OAQYLSRUSA-N 446.463 2.890 0 40 IFAB O=C(CCc1ccccc1)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775972921 CQNNPISPNNTHNP-UHFFFAOYSA-N 427.512 2.858 0 40 IFAB Cn1cc(C(=O)N2CCC3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c(C(F)(F)F)n1 2037988368 AOTKBQPUODYREM-UHFFFAOYSA-N 440.397 2.616 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1 818380 DOOUQJWJCXODNY-MRXNPFEDSA-N 437.404 2.866 0 40 IFAB Cn1c(=O)c2c(nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)n(C)c1=O 928636 ZAWRAZAMKPWWKQ-UHFFFAOYSA-N 447.605 2.557 0 40 IFAB COc1cc(-c2nn3c(=O)n(-c4ccc(Cl)cc4)c(=O)nc3s2)cc(OC)c1OC 1622877 CDXZJOOBZOBFAO-UHFFFAOYSA-N 446.872 2.648 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(=O)Nc2c(C)cccc2C)C(C)C)cc1 3448352 JJPMSWDNGSGWEF-FQEVSTJZSA-N 431.558 2.670 0 40 IFAB COc1ccc(N(C(=O)c2cccc(OC)c2OC)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 4101751 ACYCKOAVPTZTAZ-AWEZNQCLSA-N 433.482 2.679 0 40 IFAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O 4791208 GUQHFSIHXYLSEF-UHFFFAOYSA-N 439.512 2.870 0 40 IFAB O=C(Nc1ccc(Br)cn1)C1CCN(S(=O)(=O)c2cccs2)CC1 6189588 LPZMCVNRIIXCPQ-UHFFFAOYSA-N 430.349 2.945 0 40 IFAB Cc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 8601492 ASLNPSUGTIZDFI-KRWDZBQOSA-N 432.523 2.597 0 40 IFAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3nc(N)nc(N(C)C)n3)c2n1 8726426 XKNIJQQLIMQHAI-UHFFFAOYSA-N 437.287 2.805 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 8756220 ZYAQOTBMQRJDBV-NRFANRHFSA-N 444.553 2.751 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccncc1 8765485 KNVFGTPIWAXLLM-UHFFFAOYSA-N 441.491 2.790 0 40 IFAB biogenic Cc1c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)c(=O)n(-c2ccccc2)n1C 9130263 GITOKZAIXDSFHQ-UHFFFAOYSA-N 435.871 2.936 0 40 IFAB Cc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc3c(c2)OCO3)n1C 9260587 ZSHNJAHBMPEGGW-UHFFFAOYSA-N 439.497 2.513 0 40 IFAB CCOC(=O)c1cnn(C)c1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 9377912 LJBLMHWOVZYTRO-UHFFFAOYSA-N 434.452 2.765 0 40 IFAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 9740166 VCILJBNTHGCSAZ-FQEVSTJZSA-N 442.493 2.867 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 9963911 CNHKGARKXQWFLY-UHFFFAOYSA-N 428.869 2.638 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10444910 BETCQEHUSUJJNL-LJQANCHMSA-N 449.598 2.928 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)o1 10785191 KRFRBDGWGVFDGG-CQSZACIVSA-N 448.526 2.989 0 40 IFAB COc1ccccc1N1CCN(C(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)CC1 11613537 PUGSZONDJWHINO-MRXNPFEDSA-N 428.558 2.761 0 40 IFAB Cc1cc2c(s1)c1cnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c1n2C 12113557 XVJBZTKNXHMXGH-UHFFFAOYSA-N 439.516 2.746 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 12443492 JZFWKCDXAZNCNK-UHFFFAOYSA-N 435.553 2.928 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12626002 LYBKYHXDDQVMDB-QFIPXVFZSA-N 438.553 2.709 0 40 IFAB O=C(c1ccccc1OC(F)F)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 12741504 CCTMSFPYWSQANY-UHFFFAOYSA-N 427.407 2.728 0 40 IFAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 12782140 UJXGZMFKZNTRKU-UHFFFAOYSA-N 446.569 2.835 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 12855475 RVRPFCIZAQLDHU-ZUOKHONESA-N 437.279 2.963 0 40 IFAB O=C(CSc1nncn1-c1ccccc1F)NCC1(N2CCOCC2)CCCCC1 14641059 HKHHBDLOTDMZNR-UHFFFAOYSA-N 433.553 2.650 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)c2O1 15224391 FFOUDCFAQNRZDO-UHFFFAOYSA-N 444.509 2.610 0 40 IFAB CCOc1c(Br)cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC 16688092 XIBHSABFDMGCBD-UHFFFAOYSA-N 443.363 2.836 0 40 IFAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccncc2)CC1 19699309 NAVFXKZCSLIRAY-UHFFFAOYSA-N 447.583 2.675 0 40 IFAB CC[C@H]1CCCCN1CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 19705821 WIBUTPVHYRRBSF-NRFANRHFSA-N 428.577 2.525 0 40 IFAB Cc1cccn2cc(C(=O)NCC[C@@H]3C[C@@H](S(=O)(=O)c4ccccc4)CCO3)nc12 19712051 DAELENWHHCUBFQ-MJGOQNOKSA-N 427.526 2.784 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862892 ORNXPHKLGSQVLQ-INIZCTEOSA-N 434.489 2.777 0 40 IFAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nnc(-c2ccc(Cl)cc2)o1 23935525 GSZBNVXSJOLMCL-UHFFFAOYSA-N 437.887 2.980 0 40 IFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccco2)CC1 32893765 NIKBXJNCNDOUOG-LJQANCHMSA-N 433.455 2.733 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)cc1 34829250 ISSZIXUTIVTNQQ-UHFFFAOYSA-N 427.505 2.966 0 40 IFAB CCCNC(=O)CN1CCN(C(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1 35286778 RGCXTCFDQPFZKI-UHFFFAOYSA-N 439.585 2.988 0 40 IFAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCN(c3ccccn3)CC2)c2ccc(F)cc21 36365725 QYJDZFAFHOOBQT-OAQYLSRUSA-N 426.448 2.598 0 40 IFAB COC(=O)C[C@@H](NC(=O)C=C1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)c(OC)c1 95444718 OAESVXWOSAQUBG-MRXNPFEDSA-N 434.489 2.601 0 40 IFAB COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)cc1 96376505 NNKBTDHWSAOQBU-UHFFFAOYSA-N 445.509 2.742 0 40 IFAB CC[C@@H](OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(C)cc4C)C(=O)[C@H]13)O2)C(=O)NC(C)(C)C 100442927 PYTPVJGHIUBBRS-RNQXOCHUSA-N 440.540 2.826 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 102905142 DPVDVYNFJBOSPJ-OKILXGFUSA-N 427.482 2.695 0 40 IFAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224101916 FHROJHPFEJXTGL-SESVDKBCSA-N 439.556 2.517 0 40 IFAB CCSc1nnc(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)s1 225206861 LZMHZNFNLGHLGV-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)cc1 225684409 AQINNZXYNNZDBG-UHFFFAOYSA-N 430.511 2.779 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(N4CCCC4=O)c3)ccc21 225696888 KXMJMEQJGCHBDG-UHFFFAOYSA-N 431.539 2.688 0 40 IFAB Cc1cncc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 257315864 VDAWPUYUJKGXCD-UGKGYDQZSA-N 441.503 2.688 0 40 IFAB CCOc1cc2c(cc1CN1[C@H]3CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C3)O[C@@H](C)C2 257366791 HIPDMYUGYZHHEH-YYWHXJBOSA-N 439.556 2.832 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 260613197 DNIODHVKDRWQPT-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(F)cc1 408612072 YDFXXDCNCXOSOI-UHFFFAOYSA-N 428.869 2.518 0 40 IFAB CCOCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OCC)cc1 408637109 XTEYXNSWSGFBTE-UHFFFAOYSA-N 426.579 2.952 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1C 408650997 CPUUMVGJRSVPMH-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO 409061241 YKAHVCMQZZQFKA-UHFFFAOYSA-N 431.341 2.683 0 40 IFAB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC 409122935 CNSSETYKAQKVSV-NTEUORMPSA-N 429.878 2.973 0 40 IFAB CC(C)c1nc2ccccc2n1CCCC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 2037884118 YNVRCHFXSHWMMN-XMMPIXPASA-N 436.560 2.830 0 40 IFAB O=C(NC(=S)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccco1 677151 GKCLYNUVVACMIB-UHFFFAOYSA-N 429.523 2.927 0 40 IFAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC 917368 AJCIAZYERIEJDY-UHFFFAOYSA-N 434.514 2.757 0 40 IFAB O=C(CNCC1CCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3288924 RFJCLRJEHBSYFE-UHFFFAOYSA-N 429.586 2.843 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373248 BLTWFOYLYBGGCT-UHFFFAOYSA-N 430.416 2.822 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 4295611 LWEBIUKLNWRIHH-LPHOPBHVSA-N 436.505 2.845 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NC[C@@H]1CCCO1)OCO3 6445861 FKSXQMOPYXRJRY-INIZCTEOSA-N 441.509 2.906 0 40 IFAB CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)/C=C/c1ccccc1 7988751 HDNHDKBCTOCZEX-SAPNQHFASA-N 427.570 2.700 0 40 IFAB Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 8191407 MHADZKGQLCZHEO-UHFFFAOYSA-N 425.529 2.994 0 40 IFAB O=C(N[C@H]1CCN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C1)c1ccncc1 8295008 FYGAYUAZEAKWBD-BBRMVZONSA-N 434.374 2.710 0 40 IFAB biogenic,in-vitro COc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccc(F)cc3)C2=O)c1 9088614 HWWDHIKLRMCRPX-LJQANCHMSA-N 439.365 2.822 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc(OC)cc3)c2c1 9500323 GOUWKGNSWCDRHS-UHFFFAOYSA-N 429.498 2.820 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F 9580962 DEVJXJCATDSWCT-UHFFFAOYSA-N 432.395 2.825 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2c(C)noc2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 9591585 RBXSHLRGPOUWOX-LJQANCHMSA-N 447.875 2.902 0 40 IFAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br 9634658 ZDBRJUZGKSCQNP-VOTSOKGWSA-N 446.257 2.822 0 40 IFAB CCn1c(CSc2nnnn2C2CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9712036 VVSCZGVJDDYTOU-UHFFFAOYSA-N 447.590 2.845 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(OC)cc1 9761801 OULIDCOQIVUNOC-UHFFFAOYSA-N 437.452 2.744 0 40 IFAB C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 10968374 BSBHWRDHKLZLDJ-SCUMNGBJSA-N 432.586 2.990 0 40 IFAB CCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 12528964 SFMOOLHJTVYNAX-HNNXBMFYSA-N 429.494 2.503 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 12737628 CGXQMXZEBZDBOR-UHFFFAOYSA-N 444.534 2.835 0 40 IFAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O 12799258 KHVVADHHAXAOFJ-HSZRJFAPSA-N 448.514 2.804 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 12853423 IRYSOTGOFUTLDG-UHFFFAOYSA-N 434.992 2.714 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCCC1 12859927 SKBMLGMYQZCHKE-UHFFFAOYSA-N 447.523 2.851 0 40 IFAB COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13508778 CNDAFWSHWGADFM-HSZRJFAPSA-N 447.495 2.557 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 13647698 PSDWCJREQZYZMF-UHFFFAOYSA-N 441.303 2.640 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 13696184 GZCXNVPMWNJRDS-UHFFFAOYSA-N 426.432 2.519 0 40 IFAB CC(C)N1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccccc2F)C1=O 13735863 YPSOIUGOVDSTLX-UHFFFAOYSA-N 449.504 2.832 0 40 IFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(S(=O)(=O)C(F)F)cc1 14909988 UWDFKEBBWNRLSI-OAHLLOKOSA-N 430.498 2.548 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 16899429 LHLHIJGSQSQNKX-CQSZACIVSA-N 445.444 2.794 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1cccs1 16985541 JIDQWRHJKHJLJM-GFCCVEGCSA-N 430.935 2.949 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 17043500 KQQDPPJJPLPTEG-UHFFFAOYSA-N 435.480 2.922 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(CC4=CCCOC4)C3)[nH]c(=O)c2C1 19342764 PIJHWPCLTKYWFK-QGZVFWFLSA-N 440.569 2.556 0 40 IFAB O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19403716 VTCJBEUCUJFONY-OAQYLSRUSA-N 436.560 2.866 0 40 IFAB CC(C)N1CCc2nc3cc(C(=O)NCCOc4ccc(F)cc4)ccc3c(=O)n2CC1 19448617 KQLUHNSTQSJQHL-UHFFFAOYSA-N 438.503 2.611 0 40 IFAB COc1cccc(-c2noc([C@@H]3CN(C(=O)CCCn4nc(C)cc4C)CCO3)n2)c1 19574100 ZQQMGYJWNJTMRD-IBGZPJMESA-N 425.489 2.939 0 40 IFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 22539527 XWLKMVHXXUTVNL-KRWDZBQOSA-N 443.573 2.994 0 40 IFAB COc1cc(CNCCNCCO)cc(Br)c1OCc1ccc(F)cc1 22942532 SNOQWYOFPQTNTG-UHFFFAOYSA-N 427.314 2.847 0 40 IFAB CCCNC(=O)Cn1c(CN2CCOCC2)nc2scc(-c3cccs3)c2c1=O 23873384 QOEFWZLYDWBPNL-UHFFFAOYSA-N 432.571 2.545 0 40 IFAB COc1cc(-c2nnc(COC(=O)CCc3c(C)nn(C)c3C)o2)cc(OC)c1OC 24108316 UVHSTAAVJIDOEJ-UHFFFAOYSA-N 430.461 2.789 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1S(=O)(=O)NC(C)(C)C 27018787 MCINMRLHQNBLQF-GFCCVEGCSA-N 447.513 2.744 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31522434 FMBIARZKMMZJNR-QGZVFWFLSA-N 427.526 2.853 0 40 IFAB CC(C)(C)OC(=O)C(=O)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F 32101301 YEYKXKBWCGYXBM-HNNXBMFYSA-N 437.212 2.978 0 40 IFAB Cc1nc(SCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C(N)=O)c(C)c1C 32752693 RGVPFOSXGUXIEY-UHFFFAOYSA-N 437.529 2.825 0 40 IFAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 32902069 YRHKTBXGKHEABA-UHFFFAOYSA-N 445.570 2.993 0 40 IFAB CSCC[C@@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32904023 ICJHWPJNBNCYFW-FCEWJHQRSA-N 442.585 2.909 0 40 IFAB CCOc1cccc(CNC(=O)c2snc(C(=O)NCc3cccc(OC)c3)c2N)c1 33171938 JJUNSRLIKKRDNY-UHFFFAOYSA-N 440.525 2.993 0 40 IFAB Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@H]3C)nn2)CC1 42379772 BXECVJKTGQPGAX-QGZVFWFLSA-N 433.553 2.814 0 40 IFAB O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 43944111 LYBLMFIVAZDVAU-UHFFFAOYSA-N 431.895 2.764 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 59589070 CLMDDVLKPJOZKG-MJGOQNOKSA-N 434.562 2.786 0 40 IFAB COc1cc2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)[nH]c2c(OC)c1OC 72340076 VVZTZSHWYBXMHK-UHFFFAOYSA-N 429.448 2.852 0 40 IFAB COCCNC(=O)[C@H](CC(C)C)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 89565282 RVVVWQVUSAEJJW-KRWDZBQOSA-N 449.621 2.730 0 40 IFAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)[C@@H]1CN(C(=O)OCc3ccccc3)C[C@@H]12 91302595 VPQJFZDAFOZYOG-MSOLQXFVSA-N 429.517 2.771 0 40 IFAB in-vitro Cc1cc(C)cc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)c1 96243767 JHEVDUICCZUGAL-FGZHOGPDSA-N 438.572 2.685 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102087309 IRUDFGZNFIITJO-QHGDMDKLSA-N 444.487 2.830 0 40 IFAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 105772124 IWJDJQMESSMPDI-QRVBRYPASA-N 446.569 2.676 0 40 IFAB CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC)c(OC)c1 219671802 DTEDQSBRSWUMLX-MRXNPFEDSA-N 432.498 2.506 0 40 IFAB C[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 223886141 FIJIFRNLODBPNK-GFCCVEGCSA-N 444.962 2.630 0 40 IFAB COc1cc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)ccc1OC(C)C 224438592 PCVWHBQYDMWABK-UHFFFAOYSA-N 438.521 2.700 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 253487505 LETHFPKVHTZPFC-WCIQWLHISA-N 435.867 2.946 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 257253642 JZRXGIXTZKETTP-INIZCTEOSA-N 425.924 2.861 0 40 IFAB CS(=O)(=O)N1CCC(Cc2cccc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 257282796 OVIVWOJULZTCIU-FQEVSTJZSA-N 429.542 2.864 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[C@@H]1Oc1ccc(Cl)cc1 257318392 VNSUEBPOTHJGDJ-SJCJKPOMSA-N 444.887 2.952 0 40 IFAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260910411 YIJKLISGDYKSME-OALUTQOASA-N 432.542 2.804 0 40 IFAB O=S1(=O)c2ccccc2O[C@@]2(CCN(Cc3ccncc3)C2)CN1Cc1ccccn1 306137478 QXMBFZZCKZVOHN-HSZRJFAPSA-N 436.537 2.705 0 40 IFAB COc1ccc(CN2C[C@]3(CCN(C(=O)C4CC4)C3)Oc3ccccc3S2(=O)=O)cc1 306139266 STQLAQQVIZVZJS-HSZRJFAPSA-N 442.537 2.660 0 40 IFAB COC[C@@H](C)NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc(C)ccc1OC 408626560 ZQQMZLKNYQQKGT-GOSISDBHSA-N 434.558 2.967 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 409301857 GWMPWJVPTBKMJA-UHFFFAOYSA-N 433.530 2.630 0 40 IFAB CN1C[C@@H](C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c2ccccc2C1=O 683732965 PCGFQQJZISZLRJ-HSZRJFAPSA-N 427.504 2.994 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(COc3ncc(Br)cn3)CC2)cc1 1775969809 LVHMCFJKRHPWHS-UHFFFAOYSA-N 442.335 2.727 0 40 IFAB O=C1COc2ccccc2CC=CC[C@]2(CCCN(CC(=O)Nc3nccs3)C2)CN1 2037819034 OKESTMAZCFIFSF-QHCPKHFHSA-N 440.569 2.861 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 784309 PNUNKIBPZJVYFW-MRXNPFEDSA-N 445.541 2.724 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O 2625232 YQPAJSRACGQPAL-FQEVSTJZSA-N 445.269 2.870 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 2664144 QXEDOFKNJHMJFO-ZDUSSCGKSA-N 439.921 2.950 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCc3ccco3)cc2c1 6196619 KTAGRCUUQDGWIO-UHFFFAOYSA-N 428.558 2.958 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)c(OC)c1 8677194 WXLDPLAOXHNMFE-UHFFFAOYSA-N 443.500 2.509 0 40 IFAB COc1ccc(CNC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc23)cc1OC 8923955 XLELVGOQXCEPSK-UHFFFAOYSA-N 431.514 2.767 0 40 IFAB CCN1C(=O)C2(Cc3c(C)nn(-c4ccccc4)c3N3CCC[C@@H]32)C(=O)N(CC)C1=S 8941527 BOYLAFXAPAQVRU-GOSISDBHSA-N 437.569 2.688 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCC[C@@H]1c1cccs1 9254760 LCMSBGHDAGUQBI-OAHLLOKOSA-N 426.585 2.737 0 40 IFAB CCCCn1c(COC(=O)c2cc(OC)cc(OC)c2)nc2cc(S(N)(=O)=O)ccc21 9724725 KWDIPRQQODRDPU-UHFFFAOYSA-N 447.513 2.858 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2cccc(C)c2)cc1 9744743 LTWHBRWUEDTLCR-HXUWFJFHSA-N 443.569 2.992 0 40 IFAB CCOc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)cc1 9829402 KVVXGHSQVUYWKH-UHFFFAOYSA-N 429.480 2.894 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 10032402 VJWCLNCIZKGPQW-GYCJOSAFSA-N 437.544 2.665 0 40 IFAB COc1ccc(CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)cc1OC 11613630 NDMFLWSZOKAIOC-HNNXBMFYSA-N 429.542 2.535 0 40 IFAB CCCn1c(O)nnc1SCC(=O)Nc1cc2c(cc1Br)OCCO2 11650712 IYAGUXWAWXYXLQ-UHFFFAOYSA-N 429.296 2.658 0 40 IFAB COc1ccccc1-n1c(S[C@@H](C)C(=O)NC(=O)NC(C)C)nnc1N1CCCCC1 12563326 MJWUZNSPPWFAAR-HNNXBMFYSA-N 446.577 2.981 0 40 IFAB COc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)cc1 12798861 NCRSMUPBZQZCRP-UHFFFAOYSA-N 426.448 2.608 0 40 IFAB COc1ccc(CC(=O)N[C@@H](C)CCCC(C)C)cc1S(=O)(=O)N1CCOCC1 12811869 DWQVIPJOOAXJHN-KRWDZBQOSA-N 426.579 2.590 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 12925895 AQIVQJNRWVDTFN-UHFFFAOYSA-N 445.541 2.928 0 40 IFAB COc1ccc(CN(C)C(=O)CNS(=O)(=O)c2ccccc2Br)cc1F 12972993 SDFWYUOWWXYKNP-UHFFFAOYSA-N 445.310 2.534 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCC2)c2ccc(F)cc2)cc1 13648764 FBQBFKYXFVMERW-UHFFFAOYSA-N 449.548 2.632 0 40 IFAB Cc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 15311466 RQEHUPSTDPQZFX-UHFFFAOYSA-N 429.542 2.928 0 40 IFAB CCOc1cc(C(=O)OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1OC 16048850 QYTYFCFEQKWVRI-UHFFFAOYSA-N 429.469 2.853 0 40 IFAB CC(C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 17113083 UNNKGRLFMDAYKE-KRWDZBQOSA-N 426.922 2.727 0 40 IFAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)C[C@H](C)n3nc(C)nc3C)C2)C1 19285650 ABKOXXYSAORASP-QMHKHESXSA-N 425.533 2.648 0 40 IFAB O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19333328 PODPZFJDNWZYQB-FQEVSTJZSA-N 438.503 2.500 0 40 IFAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337630 GJZRAUWHOKQIOW-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB COCCN1CC=CCC2(CCN(C(=O)c3ccnc(N4CCCCC4)c3)CC2)C1=O 19742705 NNMYXOYEHQCBRL-UHFFFAOYSA-N 426.561 2.729 0 40 IFAB Cc1nc([C@@H]2CCCN(CC(=O)n3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743738 WKGPMSBSAPOEGA-HXUWFJFHSA-N 444.539 2.633 0 40 IFAB O=c1[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(Cl)cc32)c(=O)n1CCc1ccccc1 20624042 YAWOFRHAIHCBMU-HXUWFJFHSA-N 436.899 2.855 0 40 IFAB biogenic COc1ccc(-c2nnc([C@H](C)N3CCN(CC(=O)N4CCCCCC4)CC3)o2)cc1 22804467 ZQXJOWNZCLRAML-SFHVURJKSA-N 427.549 2.826 0 40 IFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)c3cccs3)CC1)C2=O 23674244 YTIYBGYEENGKTK-UHFFFAOYSA-N 432.590 2.990 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 23873417 PPTZVHQNOVPDFJ-UHFFFAOYSA-N 437.569 2.927 0 40 IFAB NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)C1 24146531 GWWUVHUVVVAMOI-HNNXBMFYSA-N 441.582 2.736 0 40 IFAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(CCn2c(=O)oc3ccccc32)CC1 26913040 SSYAAWAQKCDHNY-FQEVSTJZSA-N 429.904 2.780 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 28831905 PDIWQYFBXXLCEI-INIZCTEOSA-N 426.469 2.801 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CCCN(C)S(=O)(=O)c1cccs1)CC2 31035562 ZQPOYEGXZMHPTI-UHFFFAOYSA-N 438.571 2.751 0 40 IFAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1nnc(-c2ccccc2)o1 31311968 UZVPUTRZVPZWSE-CQSZACIVSA-N 430.486 2.778 0 40 IFAB COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O 32768453 OYTWJHXORKREJK-UHFFFAOYSA-N 440.283 2.577 0 40 IFAB Cn1c(SCCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1 32874002 NGBKBXJJJOZDGO-UHFFFAOYSA-N 429.458 2.677 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 32970930 JDNMJGGAOGRPRJ-HTAPYJJXSA-N 438.553 2.826 0 40 IFAB CCCn1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)ccc1=O 33028264 CDTRYAGDDZMAML-UHFFFAOYSA-N 430.461 2.846 0 40 IFAB COC(=O)COc1coc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1=O 36365530 FJPIUDNZEFVECN-UHFFFAOYSA-N 427.284 2.821 0 40 IFAB Cc1nc2ccccc2c(=O)n1CCC(=O)OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 40072563 FASULNRSUHNFIJ-HNNXBMFYSA-N 425.460 2.997 0 40 IFAB CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)CC3)nc2)no1 44094924 IIIGOUMSHPHPOO-UHFFFAOYSA-N 443.511 2.901 0 40 IFAB O=C(NCC1(c2ccccc2)CCOCC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 49513234 LCBNRCUUVFWULH-UHFFFAOYSA-N 447.535 2.715 0 40 IFAB CCc1cc(C(=O)N2CCC[C@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)no1 72344708 XZTLYFSHLUCBLR-INIZCTEOSA-N 436.516 2.528 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@@H](Cc2ccccc2-c2cccc(C)c2)C1=O 72351618 AIKKLYGYCZIRAV-QFIPXVFZSA-N 430.508 2.661 0 40 IFAB COCCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1F)C(=O)C2 72371909 NTQMVDZMVAHEAR-LJQANCHMSA-N 426.492 2.756 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@H](c4nc[nH]n4)C3)cc2)cc1 79019818 KGRPLMNRKARYAN-INIZCTEOSA-N 441.513 2.634 0 40 IFAB COc1ccc([C@H](CNC(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 89919338 QIYOYRQKOMCVEB-GBXCKJPGSA-N 447.576 2.974 0 40 IFAB NC(=O)c1c(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)sc2c1CCC2 95351144 SJYGFYSMBWOIIM-UHFFFAOYSA-N 432.977 2.745 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 95457947 HWSGFJILDTUHAT-ROUUACIJSA-N 427.520 2.820 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(Cl)cc(Cl)c1 102129782 SWMCYBFPVVOCCC-GJZGRUSLSA-N 425.268 2.816 0 40 IFAB CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 113944727 LEXWEJNCEOYAPD-HNNXBMFYSA-N 448.416 2.746 0 40 IFAB COc1ccc(OCCNC(=O)CCCN(c2c(F)cccc2F)S(C)(=O)=O)cc1 224886964 WMMXSINHZRVSHV-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB CN1CCC(Oc2ccc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)CC1 225682828 BFVPZBHOLUSLGX-UHFFFAOYSA-N 433.555 2.874 0 40 IFAB CN(Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 257323786 WLVHCYNUOISJBS-HSZRJFAPSA-N 425.508 2.569 0 40 IFAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 257344340 ZWTUVVRDOZGKCF-DEOSSOPVSA-N 431.496 2.727 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)c(C)c1 260731088 CELXTGGXFPQPRH-IBGZPJMESA-N 443.569 2.679 0 40 IFAB COc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Cl)cc2Cl)cc1OC 409115985 KTZRXEGWTLNGRT-UHFFFAOYSA-N 433.313 2.605 0 40 IFAB O=C(c1ccc(N2CCCCC2)nn1)N1C[C@@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888890559 OLJXJDHMBXVBOP-AOMKIAJQSA-N 426.496 2.717 0 40 IFAB Cc1ccsc1S(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3ncc(F)cn3)C2)C1 2055806643 IBPMHFGYKOBDKY-INIZCTEOSA-N 432.493 2.912 0 40 IFAB O=C(O)CSCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(Cl)cc3)c(=O)n1C2 4237124 HKSRWSQRUOHYSD-DZGCQCFKSA-N 432.929 2.932 0 40 IFAB biogenic,in-vitro O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8298652 GXFLSPBZQJISHC-WEYGHZABSA-N 435.503 2.817 0 40 IFAB biogenic,in-vitro COC(=O)c1csc(N2N=C(c3ccc(OC)cc3OC)C[C@@]2(O)C(F)(F)F)n1 8753839 WIYJQIUGIDCJDS-MRXNPFEDSA-N 431.392 2.812 0 40 IFAB Cn1c(=O)c2c(nc(OCc3ccco3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 8926169 YBIDBWIKZOVJKG-UHFFFAOYSA-N 435.267 2.961 0 40 IFAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 8966088 YQCDHCCZEURKEF-MRXNPFEDSA-N 434.496 2.981 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 9499234 VLYWEHNYYXRTLJ-MRXNPFEDSA-N 436.512 2.807 0 40 IFAB CCOC(=O)/C=c1\s/c(=C\c2ccc(SC)cc2)c(=O)n1Cc1ccc(F)cc1 9509542 PRKDREKBWLWBRG-YXZJEIOKSA-N 429.538 2.992 0 40 IFAB NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCCC2 10186974 BDWYAZASZZRBOS-GFCCVEGCSA-N 439.584 2.579 0 40 IFAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 12220965 GIAOJOVFEGZBOU-QFBILLFUSA-N 425.577 2.998 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 12939949 FGOXBMHUINIBMX-UHFFFAOYSA-N 430.313 2.578 0 40 IFAB O=C(Cn1nc(-c2ccncc2)nc1SCC(=O)N1CCCC1)NC1CCCCC1 13503283 HEAGGBGNBCOVQU-UHFFFAOYSA-N 428.562 2.504 0 40 IFAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 14239345 ILRPHDSZPRRXII-WEVVVXLNSA-N 446.525 2.685 0 40 IFAB COc1ccc(CCNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 15391175 YOKPUXBVOJBLON-LJQANCHMSA-N 446.569 2.996 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(=O)[nH]c2)c1 16043383 AYTQTTWLKSVWJF-UHFFFAOYSA-N 427.482 2.851 0 40 IFAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 16179574 CQLWPMUJOMVFSH-UHFFFAOYSA-N 440.569 2.911 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccn3)[nH]c(=O)c2C1 19238684 PPIXQIHGXFARTL-HXUWFJFHSA-N 449.580 2.999 0 40 IFAB O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N1CCC(c2ccncc2)CC1 19405041 ZDTFHNNDGTXRJU-UHFFFAOYSA-N 449.599 2.950 0 40 IFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499386 KEVVMLYFPQQZKR-IIBYNOLFSA-N 440.544 2.742 0 40 IFAB CCN(CC)c1ncc2c(O)nc(C3CCN(CC(=O)NC4CCCC4)CC3)cc2n1 19526553 MMCCOQPQRUBULZ-UHFFFAOYSA-N 426.565 2.815 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c(C)n1 19702294 MQFTYLHGGXZSQZ-AWEZNQCLSA-N 447.586 2.701 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)N(C)C)c1 20244759 SWCSXGPIVOIMCU-UHFFFAOYSA-N 425.576 2.559 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3cc(=O)c4ccccc4o3)ccc21 21172514 RUDMDFPKFUSGLM-UHFFFAOYSA-N 441.461 2.545 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cccc(S(C)(=O)=O)c2)c1C 21337072 QNGXHJHHVLEXPW-LJQANCHMSA-N 444.553 2.967 0 40 IFAB CCCc1n[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1 21726706 HOPCLYTYQUCMJZ-UHFFFAOYSA-N 437.591 2.971 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 22229459 PLYNITTVSTUBRW-UHFFFAOYSA-N 431.558 2.631 0 40 IFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccccc1Br 22457654 WWMUZSKBQWSTNB-UHFFFAOYSA-N 439.331 2.912 0 40 IFAB CCCCc1nnc(NC(=O)CNC(=O)c2ccccc2I)s1 23363543 XIISVJCTOYUBQM-UHFFFAOYSA-N 444.298 2.854 0 40 IFAB Cc1ccc(-c2noc(CCCN3CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC3)n2)cc1 24822970 UMPCYGZDESUMFB-GOSISDBHSA-N 441.576 2.673 0 40 IFAB COc1ccc(NC(=S)N[C@H](NC(=O)N2CCOCC2)C(Cl)(Cl)Cl)cc1 28293906 XLPLUIJTUOVRGJ-GFCCVEGCSA-N 441.768 2.720 0 40 IFAB Cc1c(Cl)cccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 28608285 CHJVZPVORRIRRF-UHFFFAOYSA-N 431.297 2.762 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 32760561 KSFDLAIXTAGJNC-PGRDOPGGSA-N 448.571 2.939 0 40 IFAB Cc1cc(C)n(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)n1 32999740 PKHYSVHEMAEXPI-CYBMUJFWSA-N 433.361 2.680 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CCN(C(=O)c2ccco2)CC1 35941498 IMUAGJOFSPYVBQ-HNNXBMFYSA-N 438.484 2.641 0 40 IFAB Cc1ccc(-n2cc(C(=O)OCC(=O)N(C)CC(=O)NC3CC3)c(-c3ccccc3)n2)cc1 39982375 YUFVRUNXFDSNJF-UHFFFAOYSA-N 446.507 2.742 0 40 IFAB CCn1c(CN(C)Cc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 58169889 KYEULWFFZFIGSZ-UHFFFAOYSA-N 446.548 2.848 0 40 IFAB CCC(CC)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 72300932 PFGPCJULANCBDK-RDPSFJRHSA-N 439.512 2.701 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]2Cn2nc3c(cc2=O)CCCCC3)cc(OC)c1OC 72324859 SOLXZFQSOFDCHY-SFHVURJKSA-N 441.528 2.843 0 40 IFAB Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)Cn4[nH]c(C)c(C)c4=O)CCNC3=O)cc2)c1 72391040 UMURQJHJTYEFRH-QHCPKHFHSA-N 446.551 2.586 0 40 IFAB CCc1cc(C(=O)N(C)Cc2nc(NC)cc([C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)on1 72391852 SYXNKPLWNGJVDN-QGZVFWFLSA-N 448.527 2.857 0 40 IFAB Nn1c(SCCC(=O)Nc2cccc(Br)c2)nnc1C1CCOCC1 79107324 WXOOKRZHUITAKP-UHFFFAOYSA-N 426.340 2.769 0 40 IFAB O=C(O)c1ccc(OCCOCCOCCOCCOc2ccc(C(=O)O)cc2)cc1 90443397 FTYCNBNPTUWVET-UHFFFAOYSA-N 434.441 2.591 0 40 IFAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96105274 JBNSHQZYZHHHQQ-GFCCVEGCSA-N 446.284 2.814 0 40 IFAB CS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccc(Cl)cc1 96520978 ORXRQPJAGDSCDS-BDAKNGLRSA-N 439.496 2.902 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 101387329 DMFSCHGPPMXKBX-SJORKVTESA-N 448.266 2.934 0 40 IFAB C[C@@H]1CN([C@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 108156931 YZVVCKDWANFVSW-VQIMIIECSA-N 439.959 2.612 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1I 223982000 DZVRRSINSBJMFX-UHFFFAOYSA-N 433.267 2.657 0 40 IFAB CCOc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)cc1 224599294 NDFKPPSCXNYASW-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2OC)cc1Br 224879650 VCCDBNKKZVPWGP-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225156144 QWXRFBVRQUUTJH-SFHVURJKSA-N 444.509 2.713 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 225422376 WDGLCEPOEGRLTC-OAHLLOKOSA-N 448.541 2.988 0 40 IFAB O=C(O)c1cc(S(=O)(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)ccc1F 225737178 VOOFWPFECHSJPP-NSHDSACASA-N 434.367 2.780 0 40 IFAB CC(C)(C)C1CCN([C@H]2[C@H](NC(=O)c3cn[nH]c3)C[C@@H](Oc3ccccc3F)[C@@H]2O)CC1 257252207 JTXXFNAXEALYGP-YJMBLLCNSA-N 444.551 2.986 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccccc1OC 408980606 GATYJXDHXPGJTD-OXRZLYTFSA-N 440.546 2.868 0 40 IFAB C[C@@]1(c2cccc(-c3noc(CSc4ccc5c(c4)OCCO5)n3)c2)NC(=O)NC1=O 544425830 YQFLBTHVEQTNJQ-NRFANRHFSA-N 438.465 2.855 0 40 IFAB CN(C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1csc2ccccc12 575622434 YSYBZFJYBWBCSQ-QGZVFWFLSA-N 425.510 2.665 0 40 IFAB CC(C)n1c(CCCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 604404632 GJGMXHJFKSOGMJ-LJQANCHMSA-N 433.512 2.807 0 40 IFAB biogenic O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)n1)NC1CC1 1775964035 OVHYYBSGMHGPSU-AWEZNQCLSA-N 439.394 2.794 0 40 IFAB biogenic,in-vitro Cc1nc(C)c(-c2ccc(N3CCN(c4nc5ccccc5c(=O)n4C)CC3)nn2)s1 1888930465 IPHNGTONCJMJST-UHFFFAOYSA-N 433.541 2.790 0 40 IFAB CC(C)(C)c1cn2nc(N3CCCN(C4=NS(=O)(=O)c5ccccc54)CC3)ccc2n1 2298107088 KTZXIOZHDDCMEC-UHFFFAOYSA-N 438.557 2.688 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1289557 JNQIYUSDRQOZJS-ZDUSSCGKSA-N 447.285 2.993 0 40 IFAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3286527 IRJHPIPBCUYRMY-UHFFFAOYSA-N 438.933 2.972 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 3301531 DQCQPKHPLPXZKF-UHFFFAOYSA-N 436.555 2.948 0 40 IFAB CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 6501287 ODCQJZHACLZTHE-QGZVFWFLSA-N 442.520 2.947 0 40 IFAB CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1 8706544 YHCVZSYSMQWEHM-UHFFFAOYSA-N 448.571 2.804 0 40 IFAB CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 8746077 BYPPENLLCHBPQV-BWKNWUBXSA-N 434.540 2.970 0 40 IFAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n(C)c1=O 8775726 JGLAIZTVRCMXFI-UHFFFAOYSA-N 447.539 2.540 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 8789382 HDIMTXPJVONEQX-SFHVURJKSA-N 442.512 2.657 0 40 IFAB biogenic COc1ccc(CNC(=O)NCCS(=O)(=O)c2c(C)n(C)c3ccccc23)cc1OC 8808506 KYGPKAZPMXQWNP-UHFFFAOYSA-N 445.541 2.777 0 40 IFAB CCC[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O 8826066 SVUJLOGOSIZVQI-GOSISDBHSA-N 439.560 2.759 0 40 IFAB CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1c1ccccc1OC 8853222 YNIZTRQYJKWCOQ-OFNKIYASSA-N 441.572 2.856 0 40 IFAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cc(=O)c4ccccc4o3)c2n1 8942075 WNFDBYKLYBHMIL-UHFFFAOYSA-N 438.513 2.905 0 40 IFAB O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccccn1 9060721 JRWXRGMWOMADDD-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc23)cc1 9379007 QZBJZKPNZBTNRE-YLJYHZDGSA-N 425.554 2.917 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C)CC1 9645085 BUOVQTHKJRXVMU-AWEZNQCLSA-N 432.546 2.773 0 40 IFAB CCc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 9713284 JFFWGEXUTPDULQ-UHFFFAOYSA-N 441.491 2.957 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)N1CCN(c2ccccc2)CC1 9829665 MBBONFDKAFLFNZ-UHFFFAOYSA-N 448.914 2.584 0 40 IFAB C[C@@H](Sc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9915984 KKHUXXYNFNOXKU-CQSZACIVSA-N 426.510 2.979 0 40 IFAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(Br)c4)nc32)c1 10187992 OHLBXWFIIHVLAZ-UHFFFAOYSA-N 440.257 2.646 0 40 IFAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N([C@@H]1CCS(=O)(=O)C1)C3=O 12062828 UVLBSEUMLIHOGL-FOIQADDNSA-N 439.489 2.848 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5cccs5)CC4)nc32)cc1 12467278 QWUNTFKSIQYRDV-UHFFFAOYSA-N 434.525 2.953 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1S(=O)(=O)N(C)C 12749880 VYHYLYCHWUYIFB-HNNXBMFYSA-N 435.477 2.539 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)cc1OC 12911181 CQSAJEVGICUBCS-UHFFFAOYSA-N 430.486 2.630 0 40 IFAB Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccccc1Cl)=N2 13118175 AQNZSQBYNNZMKQ-UHFFFAOYSA-N 440.731 2.739 0 40 IFAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccccn3)C(=O)[C@H]12 13371418 ONLBMTKUPJXPHO-XRQRDNCTSA-N 438.094 2.848 0 40 IFAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 14135320 QVRPMYBLWWCAOF-UHFFFAOYSA-N 438.505 2.923 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)[C@@H]1C 14185578 GIRBUONXRWSUBU-BFYDXBDKSA-N 449.573 2.674 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 15935651 NKVPNFSCPXCYMH-NRFANRHFSA-N 444.482 2.825 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)C1=O 15951975 PJCOAICJNSQOAG-XMMPIXPASA-N 436.512 2.558 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2ccc(C(F)(F)F)cc2)c1 16680051 HGWQXFXTJRHNQQ-UHFFFAOYSA-N 446.447 2.717 0 40 IFAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC(=O)Nc1ccc2c(c1)OCCO2 17307928 OWHHLGJARGPMKN-INIZCTEOSA-N 431.514 2.849 0 40 IFAB Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)Cn4nc(C)nc4C)CCNC3=O)cc2)c1 19235414 JJJHLHJSUWRYLI-QHCPKHFHSA-N 431.540 2.688 0 40 IFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 19354027 SBRAVKULPDOEPI-JOCHJYFZSA-N 426.423 2.572 0 40 IFAB NC(=O)CCN1CCC(C(=O)NC2(C#Cc3cnc4ccccc4c3)CCCCC2)CC1 19376249 FWVMMBZSFVAIOA-UHFFFAOYSA-N 432.568 2.993 0 40 IFAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 19451140 NMMQVQHLPCUPCW-HXUWFJFHSA-N 441.557 2.816 0 40 IFAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19572437 KHZKDBANXOVLPR-QFIPXVFZSA-N 448.560 2.555 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(C(=O)COC)CC2)n1 19697367 CSRKDABOCZAHRK-MRXNPFEDSA-N 441.507 2.530 0 40 IFAB CNC(=O)c1[nH]c(C2CCN(C(=O)CCN3CCCC3)CC2)nc1-c1ccc(OC)cc1 19698813 QSVVOMNXLWHOGX-UHFFFAOYSA-N 439.560 2.637 0 40 IFAB COc1cc(COC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)ccc1OC(F)F 21490119 WUOANZRDWABMQG-UHFFFAOYSA-N 427.425 2.976 0 40 IFAB CCN1C(SCC(=O)N2CCN(c3ccccc3)CC2)=NS(=O)(=O)c2ccccc21 21657659 WQWRCIRKXAEXEY-UHFFFAOYSA-N 444.582 2.653 0 40 IFAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 22246570 QKLWCJVEMHMVIS-QFIPXVFZSA-N 443.613 2.666 0 40 IFAB CC[C@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 22334415 PXJNVDDKDFANHP-SFHVURJKSA-N 436.530 2.746 0 40 IFAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@H]1CCCO1 23196296 BXQDYXQNBRSVKT-DNVCBOLYSA-N 446.525 2.946 0 40 IFAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 33386362 ZKGKEPYVXPKEER-UHFFFAOYSA-N 443.504 2.666 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 36353087 KQGUKHWRGWFRCO-CYBMUJFWSA-N 444.538 2.538 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38855678 NYMZKFFEFDGROB-FOIQADDNSA-N 445.541 2.771 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(N(C)C)cc4)CC3)nn2)cc1C 49406346 KQZXJBFNGJUJGE-UHFFFAOYSA-N 446.555 2.985 0 40 IFAB O=C(COc1coc(CN2CCCCC2)cc1=O)NC1CCN(Cc2ccccc2)CC1 49550283 HVTAIJWKPCNJDP-UHFFFAOYSA-N 439.556 2.785 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)cc1 59475825 MTLSHDKGKQPPCH-KKPNIWNPSA-N 443.503 2.937 0 40 IFAB biogenic COc1cccc(-n2ccn3c(SCC(=O)Nc4ccccc4F)nnc3c2=O)c1 64593697 KNCCNUZJTMARIE-UHFFFAOYSA-N 425.445 2.759 0 40 IFAB CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1NS(=O)(=O)Cc1ccccc1 67890321 IBHMXIDATQFKFL-NQIIRXRSSA-N 433.574 2.584 0 40 IFAB biogenic,in-vitro COc1ccc2c(c1)C(=O)N[C@]1(CC2)CN(Cc2ccccc2)C[C@H]1C(=O)NCC(F)F 72334434 SODXLJZVTPJIJA-GBXCKJPGSA-N 443.494 2.623 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1(N2CCOCC2)CCCC1 78879173 YORXHAGGXQUURF-UYAOXDASSA-N 431.552 2.828 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)c1 95424655 LBELHYIIKMEAHP-UHFFFAOYSA-N 446.460 2.649 0 40 IFAB COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCC(=O)N1CCOCC1 97987586 UGRASHWVZJVPHX-CPNJWEJPSA-N 436.464 2.586 0 40 IFAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CCOC)[C@@]1(C)Oc1ccc(Br)cc12 100030062 YRAWNKQEJJZTOG-KEYYUXOJSA-N 429.336 2.615 0 40 IFAB Cc1nnc(S[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)s1 100720780 OOAFARRRJFVKHT-JTQLQIEISA-N 431.280 2.875 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 100941877 AUGSMCADSQQDSH-AEFFLSMTSA-N 427.844 2.646 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220459039 PMFAOHJEQXQYMY-GFCCVEGCSA-N 426.441 2.935 0 40 IFAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c(OC)c1 224869919 AXRQMUUDNLBFEQ-UHFFFAOYSA-N 431.470 2.578 0 40 IFAB C1=CC[C@@H]([C@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)CC1 226313225 KWRZLJDGRAGQCY-KNQAVFIVSA-N 435.576 2.610 0 40 IFAB CC(C)OC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@H]21 252516747 WJWHJJCWHNPKTH-RQSWOZRGSA-N 430.545 2.772 0 40 IFAB Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 408609526 OYANIJKGAHYNFX-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408657301 JJBPTBIMRDIXGJ-RJYYBVGHSA-N 430.888 2.653 0 40 IFAB CNC(=O)c1cccc(OCC(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)c1 557867068 WQRRUESBSAKOSL-UHFFFAOYSA-N 445.519 2.789 0 40 IFAB Cc1ccc(CN2CC3(C2)[C@@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N3C(C)C)o1 1549167486 PJKJOQGBIVHZHO-JOCHJYFZSA-N 437.540 2.649 0 40 IFAB COCCCNC(=O)c1c(N)n(-c2cc(OC)ccc2OC)c2nc3ccccc3nc12 2301478 GEKRVSDDYOTGTE-UHFFFAOYSA-N 435.484 2.939 0 40 IFAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccc2c(=O)n3c(nc2c1)CCC3 4144374 RKEOUOWGUIBWRF-UHFFFAOYSA-N 444.472 2.922 0 40 IFAB CCNC(=O)NC(=O)COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 8888299 JHNYSAWBGMLYKB-UHFFFAOYSA-N 438.436 2.683 0 40 IFAB Cc1cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 9297191 FRTPANRJIXXEHC-IBGZPJMESA-N 443.507 2.838 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc2ccccc2oc1=O 9539508 DSEOVLFWKRISLL-UHFFFAOYSA-N 448.884 2.720 0 40 IFAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cc(C)cc(C)c3)c2=O)cc1 9660583 OSUXNSJUKKEUIM-UHFFFAOYSA-N 444.491 2.871 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10217828 RDCRFRAVTVFIAV-FXAWDEMLSA-N 449.548 2.773 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)c1c[nH]c2ccccc12 11364059 DYCHZZBEXNXSJK-OAHLLOKOSA-N 427.530 2.750 0 40 IFAB Cc1ccc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)n2c1 12180787 QMZWVNCGRUHIRT-UHFFFAOYSA-N 440.525 2.738 0 40 IFAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 12229780 RBOXFIMLIQZSGN-UHFFFAOYSA-N 443.573 2.650 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 13714620 CXVZPXUGTLMWQG-QGZVFWFLSA-N 430.954 2.686 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2cccs2)NC(=O)N[C@@H]1c1ccco1 18171641 WATLQYMLKLUOGA-GOSISDBHSA-N 432.454 2.719 0 40 IFAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCn2nccc2C)C1 19238396 DCUPYVUDPCBKNG-VWLOTQADSA-N 431.540 2.851 0 40 IFAB CCn1nc(C)c(NC(=O)CN2CC3(CCOCC3)Oc3ccc(C)cc3C2=O)c1C 19523850 AOVQDAYWORFGBH-UHFFFAOYSA-N 426.517 2.851 0 40 IFAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)n1 19697513 XPCNRYCAIONZRP-KRWDZBQOSA-N 425.508 2.552 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)COc2cccc(N(C)C)c2)ncc1C(=O)N1CCCC1 19756225 DEUFKNYLCWWZCB-NRFANRHFSA-N 437.544 2.830 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc4cccnc34)C2)ncc1C(=O)N1CCOCC1 19764110 PNDOQNZHYLVOJZ-LJQANCHMSA-N 445.523 2.825 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cccc(Br)c2)cc1 20012916 QOJSKMPKHDYMAU-CYBMUJFWSA-N 441.347 2.956 0 40 IFAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccncc2)N1CCN1CCOCC1 20308820 YDWGGDIUMCNYJD-LJQANCHMSA-N 425.872 2.719 0 40 IFAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1 22609929 LOMGGUSOEWAZQX-KRWDZBQOSA-N 439.497 2.645 0 40 IFAB COc1ccc(-c2noc(CN3CCN(C(=O)COc4ccccc4F)CC3)n2)cc1 24209753 QUBBWWRTPNHQCT-UHFFFAOYSA-N 426.448 2.608 0 40 IFAB COC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 25193491 ICKWULNJFNAPTN-OAHLLOKOSA-N 448.566 2.915 0 40 IFAB COc1ccc(-c2noc(CCC(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)n2)cc1 25399984 WWZGYAOHWIKINH-IBGZPJMESA-N 440.500 2.769 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1OC 32604075 QXLPXJXCWLBIQH-UHFFFAOYSA-N 428.470 2.959 0 40 IFAB CSCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32810651 VATMIQDCCLIWDR-CEXWTWQISA-N 443.569 2.814 0 40 IFAB Cc1cc(N2CCN(C(=O)NCCc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)n1 32843785 CEBHHCISNYIBQV-UHFFFAOYSA-N 425.533 2.754 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 35421721 XNGSYTQVOGQPHW-PMACEKPBSA-N 429.586 2.610 0 40 IFAB COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)cc1 36056911 ZICVKOCZJFFBBI-ZQWRNJAYSA-N 435.908 2.561 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C 36447625 KHQPMOQDPWVPCA-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)cnc21 36718633 RDZCWQAEBIVRJS-UHFFFAOYSA-N 444.495 2.896 0 40 IFAB CCCCCCN(CCN1CCOCC1)C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 48285749 CPQVHOBJHLYJMC-GOSISDBHSA-N 440.610 2.784 0 40 IFAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(-n2cncn2)cc1C(F)(F)F 48333632 OGWOUMXNAQHBHP-UHFFFAOYSA-N 447.421 2.839 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1 67322729 BELICUQYPQBBJG-UHFFFAOYSA-N 425.420 2.712 0 40 IFAB CN(C)CC1CCN(c2ccc(NC(=O)c3ccc(S(N)(=O)=O)c(F)c3)cc2)CC1 72310372 DMHFKGVPFYQCQT-UHFFFAOYSA-N 434.537 2.503 0 40 IFAB O=C(C[S@](=O)Cc1ccco1)NCCCCOc1cc(CN2CCCCC2)ccn1 77291745 OXNROJCVYGRYJB-PMERELPUSA-N 433.574 2.885 0 40 IFAB in-vitro CCOc1c(Cl)cc(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1OC 79070801 RTXINHWCRMMODK-UHFFFAOYSA-N 444.859 2.791 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c1 80338050 YQFUNQNKSHRDMI-QGZVFWFLSA-N 426.517 2.558 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@H]2CSCN2C(=O)/C=C/c2ccccc2)CC1 97125058 NZWIDQUWWOUWLI-RJRNSMGGSA-N 437.565 2.959 0 40 IFAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)Nc3nc(-c4ccccc4)ns3)CC2)c1=N 101396104 FZAADYXWKKUIIR-UHFFFAOYSA-N 441.517 2.860 0 40 IFAB COc1cc(C)cc2oc(=O)c(CC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(C)c12 208177259 MZRREKJHMFNUGF-DLBZAZTESA-N 434.492 2.769 0 40 IFAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 214685623 IXUWCPSHCMPDGU-XNTDXEJSSA-N 440.905 2.642 0 40 IFAB Cc1cc(C)cc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 224092818 WMJWTCWDJAOBNM-LJQANCHMSA-N 438.933 2.679 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)cc1 224285297 RATKWYQJAZNUHF-UHFFFAOYSA-N 439.493 2.872 0 40 IFAB CCN1CCN(C(=O)c2ccc(OC)c(CN(c3ccc(F)cc3)S(C)(=O)=O)c2)CC1 224763013 XACAIATWSFWYCX-UHFFFAOYSA-N 449.548 2.578 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1 224822116 IUIIVWIMERREEV-UHFFFAOYSA-N 444.601 2.602 0 40 IFAB COc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226014167 WWJPCJMNZFMVKM-UHFFFAOYSA-N 442.526 2.684 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 226050132 LUNZKWWLNSODBG-UHFFFAOYSA-N 438.933 2.846 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)c3cccc4cccnc34)C2)nc2c1CCN(C(C)=O)C2 257242051 IAWANLDBBUTPJX-QGZVFWFLSA-N 430.512 2.601 0 40 IFAB COc1ccc(-c2cccc(CC3(C(=O)N4CCN(CCO)CC4)CCOCC3)c2)cc1 257322177 WEWJFOJAJGUKCX-UHFFFAOYSA-N 438.568 2.838 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1 408933714 KHXNIGBYCSFESW-WQRHYEAKSA-N 436.493 2.860 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 409228080 ZVNHBLPDWNSHOD-MRXNPFEDSA-N 442.965 2.542 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 524733083 RRQSDKQBRNZHRR-UXHICEINSA-N 432.480 2.811 0 40 IFAB O=C(NCc1ccc2c(c1)C(=O)NCC2)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 543509476 CJVAYTZLLPAPHA-HSZRJFAPSA-N 441.487 2.845 0 40 IFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1 585326162 AOXALMQAFFOWLM-UHFFFAOYSA-N 447.491 2.555 0 40 IFAB O=C(N[C@H](n1cnc2c(N3CCOCC3)ncnc21)C(Cl)(Cl)Cl)c1ccco1 716841 PABJAEBQPNZCMU-OAHLLOKOSA-N 445.694 2.555 0 40 IFAB biogenic NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCC2 3268330 QHVSCKAWCKCYBM-UHFFFAOYSA-N 433.555 2.763 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O 3382072 QNHRQFZMDRNJFH-FPTDNZKUSA-N 449.935 2.636 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nncn1-c1ccccc1OC 3431774 HBOYSXPSAZYBFD-UHFFFAOYSA-N 434.499 2.785 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NCc1ccco1 3600134 NWSDMDYANPKBRS-UHFFFAOYSA-N 432.432 2.592 0 40 IFAB COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(F)cc1 9194435 SEXDYYIFYQXHMC-UHFFFAOYSA-N 449.870 2.552 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCn1ccc2ccccc21 9339396 VDJGKVBZVXHICG-LJQANCHMSA-N 428.558 2.863 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc21 9457014 UHSZIYBSUALEGC-UHFFFAOYSA-N 431.496 2.845 0 40 IFAB COc1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)cc1OC 9748882 JNLCVJJYRAUGTB-UHFFFAOYSA-N 432.278 2.941 0 40 IFAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9818658 MEIAFKRVDMCDRM-UHFFFAOYSA-N 448.928 2.704 0 40 IFAB CCCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)N(C)CCO)c3)nn12 9942632 NKPXPWGYNANMPX-UHFFFAOYSA-N 439.541 2.818 0 40 IFAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1ncc(Cl)cc1Cl 9959893 FHDMEHSGCSZQIB-SECBINFHSA-N 432.285 2.944 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974775 RJAWPADCJXIVKC-INIZCTEOSA-N 446.525 2.830 0 40 IFAB COc1ccccc1CNC(=O)Cn1nc(-c2cccc(Br)c2)ccc1=O 10220806 CHDGWZXQLIORIR-UHFFFAOYSA-N 428.286 2.998 0 40 IFAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)[C@H]1CCS(=O)(=O)C1)oc1ccccc12 10994595 BJLYEQTZCPIQEJ-STQMWFEESA-N 431.466 2.900 0 40 IFAB O=C(c1cccc(N2CCCC2)c1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089458 GSYPSWYVANWTRU-JOCHJYFZSA-N 440.569 2.869 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1 12550775 AORHSSDLGMYWFG-UHFFFAOYSA-N 447.517 2.797 0 40 IFAB CC1CCN(C(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)CC1 12929081 QOYIGQKEXVLEMB-SFHVURJKSA-N 428.558 2.981 0 40 IFAB COc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)ccc1OC(F)F 13041197 ZRSHDOQSNRQCIP-OAQYLSRUSA-N 432.379 2.709 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN3CCN(c4ccccc4)CC3)s2)cc1OC 13510136 UPHUEVLRVSKVGO-UHFFFAOYSA-N 439.541 2.983 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1ccc(F)cc12 13592304 ALNSSYUUUQIIGH-BASGCRPESA-N 433.867 2.633 0 40 IFAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 14185223 FKWPQWRPJZHMOX-LJQANCHMSA-N 425.514 2.672 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)c(Cl)c1 15047684 GRFMQMVNPNHUSK-IBGZPJMESA-N 433.867 2.544 0 40 IFAB CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 15582475 PUOFQJMNCHRYTF-NSHDSACASA-N 430.552 2.829 0 40 IFAB COc1ccc([C@@H](NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2nccn2C)cc1 16474975 LUSHYLDOXMGNGS-LJQANCHMSA-N 437.525 2.723 0 40 IFAB Cc1ccc(CN2C(=O)NC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 16847637 NOANORYSORAQFS-UHFFFAOYSA-N 447.944 2.924 0 40 IFAB O=C(NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O)C1CCCCC1 16850557 IXONNRIBDDYXQV-UHFFFAOYSA-N 441.503 2.719 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1ccccc1F)NCc1ccc(F)cc1 17177959 NWEACLDUFOHXHO-UHFFFAOYSA-N 446.479 2.701 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)nn3c(O)c2C1 19085962 CQGJZHDRMJFTSR-OAHLLOKOSA-N 427.549 2.728 0 40 IFAB C/C(Cl)=C/CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)CNC(=O)c1cc(C)ccc1O2 19218945 KBTCWDVZXBTSNL-GEKYNXFFSA-N 433.936 2.516 0 40 IFAB Cc1cccc(C2(O)CCN(CC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19234495 KASUSSANLSTHPS-UHFFFAOYSA-N 442.581 2.874 0 40 IFAB CC(C)c1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)OCC2 19454219 UGEILQQPCGJRDJ-JOCHJYFZSA-N 445.541 2.624 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cnn(C)c2C)CCO1 19697690 GRQXIQQILDWJMQ-KRWDZBQOSA-N 442.541 2.533 0 40 IFAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CC[C@H](c2c(C(N)=O)sc3ncccc23)C1 19702490 VTMHWBQKFKTHFG-AWEZNQCLSA-N 447.586 2.734 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)nc2c1CCCN2Cc1ccccc1 19706934 YUOAPBYNUKKPCL-QFIPXVFZSA-N 449.599 2.776 0 40 IFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)CCN(C)c1cccc(F)c1)CC2 19710240 XXQZNDICBYPRPL-QGZVFWFLSA-N 440.567 2.878 0 40 IFAB Cc1nc([C@@H]2CCCN(CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741271 SBGXXSGPXRGZCG-HXUWFJFHSA-N 435.572 2.752 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccc(F)cc1 19755461 ZBRWEKLOAJIULK-IBGZPJMESA-N 435.459 2.852 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 20011999 YPTWFPDSEGYFAY-ZDUSSCGKSA-N 441.347 2.956 0 40 IFAB O=S(=O)(c1cccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1)N1CCOCC1 22241030 AMKLMDJCDKMBKB-OAQYLSRUSA-N 444.553 2.816 0 40 IFAB CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 23235758 QWCYDHBNEAXBHE-KRWDZBQOSA-N 434.539 2.972 0 40 IFAB CSc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C(=O)N1CCOCC1 26117733 JFSCKBCADPIWSX-UHFFFAOYSA-N 428.482 2.960 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)n1N 27546188 VQIUWMAACMWYRP-UHFFFAOYSA-N 445.932 2.644 0 40 IFAB O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Br)cc1F 32071889 ICYSWCNDXYPZPL-GFCCVEGCSA-N 434.265 2.696 0 40 IFAB CNC(=O)c1c(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)sc2c1CCCC2 32102036 NRIVAMBTYZPACG-UHFFFAOYSA-N 446.550 2.739 0 40 IFAB O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCC(Cc2ccccc2)CC1 36593497 ANUWIEVIIHBVSQ-HXUWFJFHSA-N 449.507 2.912 0 40 IFAB CN1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)CC1 38207001 VXTRFHPIUXAXML-DYVFJYSZSA-N 437.422 2.660 0 40 IFAB Cn1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@H]2c1ccco1 38519862 LCCCCFRGRIYFIN-WFASDCNBSA-N 437.431 2.618 0 40 IFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2COc3ccccc3O2)CC1 40161511 DGRKSDUNONBGIQ-MRXNPFEDSA-N 442.459 2.852 0 40 IFAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(OC)cc1 44849239 MYDDBCPSRGRQGV-IBGZPJMESA-N 448.541 2.890 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nccn3c2=O)cc1OC 49008525 IMHZKVZEQXDENY-UHFFFAOYSA-N 449.467 2.956 0 40 IFAB CCn1nc(C)c(CNC(=O)c2nc(Cc3cc(C(=O)OC)ccc3Cl)no2)c1C 49548170 VRLHMRHDWCZPMI-UHFFFAOYSA-N 431.880 2.864 0 40 IFAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CN(C)CCOc2ccccc2F)C1=O 49622744 FTOROYUAOWPFPW-HSZRJFAPSA-N 427.476 2.886 0 40 IFAB CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc(-n2cnnn2)cc1 60100862 YJSAVJANJHJBAN-UHFFFAOYSA-N 432.450 2.814 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)NCCn3cnc(-c4ccccc4)cc3=O)CC2=O)cc1C 70655817 ONYDLXMIUPITCH-HXUWFJFHSA-N 430.508 2.696 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2cccc(F)c2)C1 72314582 QHKZGZWCDNLDIL-SFHVURJKSA-N 425.507 2.698 0 40 IFAB O=C1N[C@]2(COC3(CCN(C(=O)c4cc(-c5ccco5)n[nH]4)CC3)C2)Nc2ccccc21 72325347 WTMVUJQKWVMHQR-HSZRJFAPSA-N 433.468 2.617 0 40 IFAB COc1ccc2c(ccn2CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 72402460 YCDFIPIENICCJF-IBGZPJMESA-N 441.553 2.867 0 40 IFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1OC)OCO2 85413080 KOGGJXCOXPDSQM-AUUYWEPGSA-N 426.377 2.605 0 40 IFAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 98065696 XNQYQDJBYXPZOJ-UHFFFAOYSA-N 428.341 2.621 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccco1 100820011 VUEIUPWPQQSBPY-HZPDHXFCSA-N 439.493 2.502 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 101387321 DMFSCHGPPMXKBX-IRXDYDNUSA-N 448.266 2.934 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 223173165 XKPIDEDKUFHSEO-PKTZIBPZSA-N 448.596 2.962 0 40 IFAB COCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224349350 KHJQGKRBYGMCIY-UHFFFAOYSA-N 426.922 2.940 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(OC)c(C)c1 224379440 SXJJDBNLOSXNLF-QGZVFWFLSA-N 434.514 2.766 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225469552 IZUGNPIVZJJJJS-UHFFFAOYSA-N 438.553 2.898 0 40 IFAB C[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 225575732 IERGFBQYUGHRSS-INIZCTEOSA-N 432.542 2.750 0 40 IFAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225728642 MBJDOZYIXJFQFK-UHFFFAOYSA-N 446.389 2.577 0 40 IFAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1CO 247879833 IJQKWVHSIMOULQ-IEXUWNMDSA-N 439.556 2.831 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2n[nH]c3c2CCCC3)CC1 257317189 VISOLTIDZCQVQV-TZBSWOFLSA-N 438.572 2.738 0 40 IFAB COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260830750 HGIZCBOKQCPRFX-MRXNPFEDSA-N 448.541 2.890 0 40 IFAB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 408654042 JEZAOAMWSHLODI-MRXNPFEDSA-N 442.443 2.926 0 40 IFAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)Nc1ccc(F)cc1 408671209 YUNVUVQLICZERV-BMHXQBNDSA-N 434.423 2.933 0 40 IFAB Cc1cccc(OC[C@@]2(O)COCCN(Cc3cccc(OCCn4ccnc4)c3)C2)c1 585274657 LVCSYFRWUFLLSM-VWLOTQADSA-N 437.540 2.913 0 40 IFAB Cc1cc(C(=O)N2CCN3CC(=O)Nc4cc(-c5ccccc5)ccc4OC[C@@H]3C2)n(C)n1 1772594704 TYAQCVHYIHFEOR-FQEVSTJZSA-N 445.523 2.553 0 40 IFAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)C1(c2cccc(C)c2)CCOCC1 1848352600 WQGLNFIVPBUQHL-DEOSSOPVSA-N 449.595 2.545 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1 3405146 UQUXTECTOONVCI-UHFFFAOYSA-N 445.324 2.717 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2N2CCCN(C)CC2)cc1 3448995 VBOJGGXJPWRCRY-UHFFFAOYSA-N 425.558 2.905 0 40 IFAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9219057 HINDLKPLAYSOLM-UHFFFAOYSA-N 448.888 2.663 0 40 IFAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)c(C)n23)n(C)c1=O 9297078 AOZPAZXFIWJEHR-CYBMUJFWSA-N 427.892 2.867 0 40 IFAB C[C@@H](C(=O)NCCN1C(=O)CSC1=O)N1CCC(c2nc3ccccc3s2)CC1 9788826 KWQZCSADZVRBAH-ZDUSSCGKSA-N 432.571 2.676 0 40 IFAB C[C@H](C(=O)NCCN1C(=O)CSC1=O)N1CCC(c2nc3ccccc3s2)CC1 9788827 KWQZCSADZVRBAH-CYBMUJFWSA-N 432.571 2.676 0 40 IFAB Cc1cn2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCc1ccccc1 9829445 JYPLGSAUUNOYOP-UHFFFAOYSA-N 431.471 2.888 0 40 IFAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1nc(-c2ccc(F)c(F)c2)cs1 10026954 MSQIWZKIFDKTID-LLVKDONJSA-N 438.485 2.985 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3c(F)cccc3Cl)nnc1n2Cc1ccccc1 10968575 RCWTUBBGKMRVDW-UHFFFAOYSA-N 438.850 2.589 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cnc(C)n3C)CC2)on1 12088088 RJLVOZIQCVTLIG-UHFFFAOYSA-N 437.548 2.698 0 40 IFAB Cc1ccccc1Nc1nnc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)s1 12554763 UEWUABKYOBNYGE-UHFFFAOYSA-N 445.570 2.870 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 12631895 WXMCOMQLZUNYCF-KRWDZBQOSA-N 434.514 2.756 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(C)=O)CC2)cc1 12984733 VSBWTFWOPLVJPB-UHFFFAOYSA-N 429.542 2.643 0 40 IFAB O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCN(c2ccccn2)CC1 13140294 HXVLXVBIEVNEAI-UHFFFAOYSA-N 440.500 2.984 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 13163267 JNBFAKBCQPVQSZ-VWLOTQADSA-N 431.492 2.952 0 40 IFAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc3C2)n1C 13567150 XMVHLRAUQGFUMN-MRXNPFEDSA-N 435.553 2.983 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1SCC(=O)N1CCCC1 14228372 RYRSCDMUCJJCBW-UHFFFAOYSA-N 436.537 2.910 0 40 IFAB CCn1nnc2cc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@@H]3CCCO3)ccc21 14572255 URZHEQKAPFIMGG-INIZCTEOSA-N 432.484 2.509 0 40 IFAB CCNC(=O)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC 15503928 AXMPCBSFOYHQIO-UZUQRXQVSA-N 439.512 2.956 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccnn2C)C1 19448895 DQPAQRBTXVAQHK-RUZDIDTESA-N 446.555 2.867 0 40 IFAB CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 19451681 LYNGAKWOWRVCOE-UHFFFAOYSA-N 443.573 2.685 0 40 IFAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2nnc(N)s2)C1 19591536 KFWYCJYHQJIYHO-HSZRJFAPSA-N 435.553 2.537 0 40 IFAB CC(C)[C@@H](NC(=O)CSc1nnnn1C[C@@H]1CCCO1)c1ccc2c(c1)OCCCO2 21733451 GWFJENFWGAGBIF-OXJNMPFZSA-N 447.561 2.619 0 40 IFAB O=C(c1ccco1)N1CCN([C@@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1 22609615 RWBFARQWTAZUAP-INIZCTEOSA-N 427.461 2.776 0 40 IFAB CC(=O)N1C[C@@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)Oc2ccccc21 23908246 LESATMUKFRVYBN-FQEVSTJZSA-N 436.537 2.755 0 40 IFAB CC1CCN(Cc2ccc(CNC(=O)CN(C)S(=O)(=O)c3cccs3)cc2)CC1 29342348 WOBKHNHDVPBAHS-UHFFFAOYSA-N 435.615 2.917 0 40 IFAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 32736788 CFZOTTUGVRXDKZ-HXUWFJFHSA-N 428.510 2.779 0 40 IFAB NC(=O)c1ccc(N2CCC(C(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)CC2)nc1 32873901 JXMONSAUZJZATM-UHFFFAOYSA-N 447.491 2.735 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)CCC2 34854151 LNVBFKKJCJHFSD-UHFFFAOYSA-N 433.961 2.774 0 40 IFAB O=C(COc1ccc2ccccc2c1Br)N1CCN(C(=O)[C@H]2CCCO2)CC1 58379126 MXYZFFGFUKIZIJ-GOSISDBHSA-N 447.329 2.831 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)c(F)c1 64817632 SBEFZADCPGCOFK-UHFFFAOYSA-N 449.486 2.823 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3Cl)c21)OC[C@@H]1CCCO1 72336731 HJNANSWTTBBFEK-AWEZNQCLSA-N 443.891 2.640 0 40 IFAB Cc1cc(-c2snnc2C2CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)on1 72392666 VCVRWTLESLEGEA-UHFFFAOYSA-N 446.554 2.854 0 40 IFAB CCO[C@@H](C)c1noc(CN2CCCN(CC(=O)N3CCCc4ccccc43)CC2)n1 84800618 JUGCJWOXIWCFPL-SFHVURJKSA-N 427.549 2.654 0 40 IFAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 89635007 OOIISAXNXFANTM-OAQYLSRUSA-N 437.525 2.886 0 40 IFAB CC[C@H]1c2cccn2CCN1C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 95427587 DZRRNPFZGCYZOE-INIZCTEOSA-N 440.363 2.865 0 40 IFAB O=C(NCc1ccccn1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccccc3)CC2)O1 96243862 ZPPBXAMRSCEVNB-FQEVSTJZSA-N 446.511 2.517 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccccc1F 96521133 JZXZJESWKZCOKN-UWVGGRQHSA-N 437.068 2.778 0 40 IFAB CCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 113937950 BYQYNEHRJLQHQU-UHFFFAOYSA-N 436.530 2.824 0 40 IFAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 219220941 VRFAXRBZVGQHIP-LJQANCHMSA-N 436.555 2.647 0 40 IFAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(S(C)(=O)=O)cc1 222485843 INUOUTRICQFYTK-SFHVURJKSA-N 438.571 2.675 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCCCCC2)s1 224901935 SNSOUGJXMXUJNB-UHFFFAOYSA-N 437.591 2.643 0 40 IFAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2cccnc2)n1 225940031 HYXHLVRIZWDRQH-INIZCTEOSA-N 427.578 2.574 0 40 IFAB NC[C@]1(CO)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242543444 KABRPIILECQRPU-ZACQAIPSSA-N 430.751 2.980 0 40 IFAB Cc1c(C(=O)N2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)n(C)n3)C2)cnn1C 257306949 SWRDGYCHPFKFPZ-OAQYLSRUSA-N 443.935 2.951 0 40 IFAB O=C(CN1C[C@@H](c2ccc(F)c(F)c2)[C@@]2(CCCC(=O)N2)C1)NCCOc1ccccc1 257341778 ZLXWCWRPLPKOQG-YADARESESA-N 443.494 2.598 0 40 IFAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)C3CC=CC3)CC2)C1 306134674 NVCGWMFRZPCVTF-UHFFFAOYSA-N 439.491 2.950 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 408705844 OMBZVOGJKZGOSN-UHFFFAOYSA-N 436.486 2.529 0 40 IFAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)NCCc1ccccc1 409342227 AVQXWCMUWRANJP-UHFFFAOYSA-N 441.532 2.818 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)N2CCC([C@](C)(O)C(F)(F)F)CC2)cc1OC 546639463 IXSSMJTVHNHNFB-XOBRGWDASA-N 432.483 2.776 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)C2(c3cc(C)cc(C)c3)CCOCC2)CCN1Cc1ccccc1 585261850 XSTLSVYMHWGBSW-XMMPIXPASA-N 449.595 2.811 0 40 IFAB C[C@@]1(C(=O)NCCc2ccc(I)cc2)Oc2ccccc2NC1=O 1541057504 QGYGZLUCYKXBBE-SFHVURJKSA-N 436.249 2.740 0 40 IFAB O=C1CN2CCN(C(=O)c3ccncc3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594557 LJQVWOMCQDDWDP-NRFANRHFSA-N 428.492 2.906 0 40 IFAB Cc1cn2nc(OCC3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)ccc2n1 1888913467 WJMXHMAEHRFDIO-UHFFFAOYSA-N 432.410 2.790 0 40 IFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 802577 KVFAJOMIWUJDIE-HXUWFJFHSA-N 443.431 2.653 0 40 IFAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(Br)cc3)ccc12 2712388 QUQNLCUDFBKXHT-UHFFFAOYSA-N 445.269 2.955 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)NCc1ccc(F)cc1 3453485 KVZUBJKHWQPPGB-UHFFFAOYSA-N 448.516 2.782 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c(OC)c1 9598630 ZWUDBFRVEMDZTA-UHFFFAOYSA-N 437.477 2.870 0 40 IFAB CN(C)C(=O)Cn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1ccc(F)cc1F 9677462 GLVCHXNQPTUVLZ-GFMRDNFCSA-N 432.452 2.620 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(OCC)cc1 9761813 OSUNJTXZWYMQMC-UHFFFAOYSA-N 437.452 2.825 0 40 IFAB COc1ccc(OC)c(NC(=O)CSC2=NS(=O)(=O)c3cc(F)ccc3N2)c1 9761988 SHMDXJUUWKQDFA-UHFFFAOYSA-N 425.463 2.685 0 40 IFAB COc1ccccc1CNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 9936224 YJSALCGFZZYCAN-UHFFFAOYSA-N 429.476 2.871 0 40 IFAB biogenic C[C@H]1C[C@@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 10219682 WWDUYCDOJXDBMC-LSDHHAIUSA-N 444.557 2.570 0 40 IFAB CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)c1ccc2c(c1)OCCO2 12141850 XSQIHXHJOZEDJK-GOSISDBHSA-N 435.480 2.899 0 40 IFAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](C1(C)CC1)N3)C2 12143189 WKHWOGSKRPQKKA-GJZGRUSLSA-N 436.438 2.561 0 40 IFAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3C)cc2)C1 12982538 IUMINFAGMIIDSV-SFHVURJKSA-N 430.526 2.750 0 40 IFAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)n1 13009118 DIYAHGIENJPYCT-UHFFFAOYSA-N 431.294 2.597 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1 13109119 QXZDYODAELAVLD-UHFFFAOYSA-N 437.525 2.548 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1 13505170 DMNWCVCIPQMPOL-UHFFFAOYSA-N 426.908 2.734 0 40 IFAB O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 16091096 YTPYZKWTBKOUAU-UHFFFAOYSA-N 438.505 2.758 0 40 IFAB O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccc2c(c1)OCO2 16694744 BWDBTDBHLFBGNX-UHFFFAOYSA-N 425.441 2.841 0 40 IFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F)(C3)C2 17967893 RDHYOQXDTGYMEA-NAZSJPOASA-N 437.462 2.976 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cccnc2)CCO1 19529292 GOWGSKIGEPMDIB-RUZDIDTESA-N 430.508 2.734 0 40 IFAB CCn1ccc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCOC)sc4ccccc34)C2)n1 19697937 DRSWOUNNWPAPJC-QGZVFWFLSA-N 442.541 2.708 0 40 IFAB CN(C)CC[C@@H]1CCCCN1C(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O 19750720 BIEPLYBOKBYTIL-IBGZPJMESA-N 428.508 2.573 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)ncc1C(=O)NCc1ccccc1 19755077 KIRCARHLMIHTJD-NRFANRHFSA-N 449.555 2.781 0 40 IFAB Cc1ccc(-n2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1C 19939251 YOHFUCVCFMFIQK-UHFFFAOYSA-N 444.539 2.835 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccccc1 20283429 JOJGFLLLLDLUJC-QFIPXVFZSA-N 426.561 2.808 0 40 IFAB COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c(OC)c1OC 20495253 IXSJQGZNJXGHOR-UHFFFAOYSA-N 448.541 2.568 0 40 IFAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 20732282 QSBYFMYYMPNUIS-IBGZPJMESA-N 433.917 2.954 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1C(=O)OC 22252824 IJBVROFVWZGMPI-UHFFFAOYSA-N 436.486 2.529 0 40 IFAB O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccc(I)cc1 22912823 SKSPRUIKLWRACO-UHFFFAOYSA-N 425.270 2.641 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)n(N)c2=O)cc1 27546269 BOZOAVTYQKCSEQ-UHFFFAOYSA-N 439.541 2.689 0 40 IFAB Cn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1N1CCOCC1 30975160 VEPABYMDWWQADW-UHFFFAOYSA-N 437.323 2.757 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2 32616235 JRRPICREHAVECD-UHFFFAOYSA-N 435.871 2.554 0 40 IFAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 33047518 JRRREXFUOOYERK-DOQJBMMISA-N 447.557 2.713 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 56907918 XVSZZVKJPIMBAN-UHFFFAOYSA-N 431.496 2.746 0 40 IFAB CCOC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)cc2)n1 58017106 LQCOQMMHLGASAW-UHFFFAOYSA-N 429.454 2.636 0 40 IFAB COc1cccc(C(=O)NCCNC(=O)Nc2cccc(I)c2)c1 72280707 AAJUPNFCGLGKKC-UHFFFAOYSA-N 439.253 2.851 0 40 IFAB CCN(C(=O)Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)c1nc(C)cs1 72335696 BOWSKPLBRCYTCZ-UHFFFAOYSA-N 428.543 2.803 0 40 IFAB Cc1cccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cnc(N(C)C)nc2)CC1 72340681 AJYSXBZEVVEAJQ-HSZRJFAPSA-N 436.535 2.789 0 40 IFAB O=C(NCCn1nc([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)c2cccnc21)C1CC1 72344703 LRFBNPRTESFICY-OALUTQOASA-N 439.560 2.623 0 40 IFAB CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1Br 95460030 JWIIKKXEMULWMB-AWEZNQCLSA-N 441.351 2.766 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)C[C@@]32CCN(C)C2=O)cc1 96144287 FYALSFWZQARDMM-AREMUKBSSA-N 432.568 2.977 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOc4ccccc43)C2)c1 222568475 VFRWTROPHGOERU-MRXNPFEDSA-N 446.525 2.530 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1OC 222597800 CFDJJFDDEMLGCH-HXUWFJFHSA-N 434.558 2.997 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 223002340 PYRKVNCCSQQVTK-PGRDOPGGSA-N 426.513 2.787 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCCO2 223412763 IMYLTPJDKNZGJC-FQEVSTJZSA-N 426.513 2.952 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c(OC)c1 223871385 ALZOJUPYXXCCJJ-UHFFFAOYSA-N 448.541 2.769 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1cc(C)ccc1C 224047315 JVHYLRQYVCJWPN-UHFFFAOYSA-N 434.558 2.690 0 40 IFAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 224951416 VEYIDURNZIUMOD-UHFFFAOYSA-N 430.482 2.582 0 40 IFAB O=C(CN1C[C@@H](c2cccc(F)c2)[C@@]2(CCCC(=O)N2)C1)Nc1ccc2c(c1)OCCO2 257219930 DIWJXTYIFDHQGM-YADARESESA-N 439.487 2.674 0 40 IFAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)c2cn[nH]c2)C[C@@H](Oc2ccccc2Cl)[C@@H]1O 257224341 FBKKLGRPPFPKGJ-YJMBLLCNSA-N 440.931 2.874 0 40 IFAB CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)[C@H]3CCS(=O)(=O)C3)(c3ccccc3)CC[C@@H]2O1 257298795 RNHGWVKSXWAXDH-HCKMINRYSA-N 449.613 2.594 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3cncc(-c4cccc(F)c4)n3)C2)c(C)n1 257318397 VNTVHNYVWFFVQY-IBGZPJMESA-N 431.493 2.570 0 40 IFAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)ncn1 257325443 WSYPVSMGXBVHRQ-HXUWFJFHSA-N 448.449 2.784 0 40 IFAB CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3cc(C)ccc3Br)C2)O1 306124254 BKSDBFAZXMCGRK-FXAWDEMLSA-N 440.382 2.827 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408666831 SUGYHCMLYPKLEY-BTDZUBADSA-N 438.402 2.607 0 40 IFAB CC1(Cn2cc(C(=O)NC3(c4cccc(Br)c4)CCOCC3)nn2)COC1 546765007 ZHZNAPQQJOXMHL-UHFFFAOYSA-N 435.322 2.513 0 40 IFAB CC[C@H](NC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccccc1OCC(=O)N(C)C 1223877547 KCTNJTNDQMDGQT-RCZSKKKRSA-N 447.576 2.614 0 40 IFAB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)N(NC(=O)c2ccc(Cl)cc2)C1=S 1075468 JPJALPBFVUTKIX-OAHLLOKOSA-N 434.880 2.580 0 40 IFAB CCS(=O)(=O)c1c(S(=O)(=O)CC)c2ccc(C(C)=O)cn2c1C(=O)c1ccccc1 1252896 MGBRRWBRUNXWFE-UHFFFAOYSA-N 447.534 2.960 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)Nc3nccs3)cc2)cc1OC 1324865 FMMZUAGPKTTXCA-UHFFFAOYSA-N 447.538 2.934 0 40 IFAB CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O)C(=O)O 9059088 XMYXETUGOQCYNJ-WOJBJXKFSA-N 448.479 2.593 0 40 IFAB biogenic O=C(CSc1nncn1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9119478 UJTUZXOTOSSCSR-UHFFFAOYSA-N 443.554 2.783 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N[C@H](C)c2cc(OC)ccc2OC)c1C 9447274 XKGKSGRCRJTODH-CYBMUJFWSA-N 432.473 2.860 0 40 IFAB Cc1cccc(C)c1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9743499 JIVAZZZDMNWWQU-LJQANCHMSA-N 443.569 2.992 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1 9761587 VFTNIHJEIXGXJE-UHFFFAOYSA-N 428.466 2.794 0 40 IFAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2cccc(C)c2)c1 9906196 WIASMQZYAKCPKR-UHFFFAOYSA-N 439.512 2.858 0 40 IFAB O=C(COC(=O)c1cccc(-n2cnnn2)c1)Nc1ccccc1C(=O)c1ccccc1 10022011 KCVVSRDBCQNNJS-UHFFFAOYSA-N 427.420 2.689 0 40 IFAB O=C(Nc1nc2cc3c(cc2s1)OCO3)[C@H]1CCCN1S(=O)(=O)c1cccs1 10187074 XEVASDVJDMSGFK-LLVKDONJSA-N 437.524 2.878 0 40 IFAB COc1ccc(C(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 11913830 IJWXYZWYOOVUIL-ZDUSSCGKSA-N 428.304 2.880 0 40 IFAB COCCn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2cc(OC)ccc21 12080569 DODSPRPHSKHUFN-QZQOTICOSA-N 434.539 2.649 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N[C@H]1CCCc2ccccc21 12643715 QTTXLKZSGAXJED-FQEVSTJZSA-N 427.526 2.603 0 40 IFAB C[C@]1(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)NC(=O)NC1=O 12751958 CSXGVNCSCLYUGJ-KSFYIVLOSA-N 442.541 2.537 0 40 IFAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 12875027 FTDDEQSNOSYSAX-UHFFFAOYSA-N 438.553 2.680 0 40 IFAB COc1ccc(F)cc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 12907784 XNMYIWPYHXVEQB-UHFFFAOYSA-N 442.878 2.996 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCc4cc(C)ccc43)CC2)cc1 13056265 XKGSSQYEXNZLOR-UHFFFAOYSA-N 427.570 2.589 0 40 IFAB Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc(C(C)C)n1 14140725 SIKIIRGMWMVMSI-UHFFFAOYSA-N 432.546 2.581 0 40 IFAB O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl 14200092 AXLJZKWWRQCNKO-LLVKDONJSA-N 433.313 2.974 0 40 IFAB Cc1c(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[nH]c2c1C(=O)CCC2 14241115 TUCSPNZETKRVIO-XNTDXEJSSA-N 427.526 2.601 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1OCC 14244456 CNPBQSMBJIGQBH-UHFFFAOYSA-N 447.919 2.964 0 40 IFAB CNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 15560371 JIIGDQNDYWZNOH-UHFFFAOYSA-N 429.542 2.702 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1OC 15934897 UZOHNHKUCYISLW-KBPBESRZSA-N 427.482 2.717 0 40 IFAB Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19133753 ZKNDLQHREJFFOK-XMMPIXPASA-N 443.613 2.871 0 40 IFAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1cc3c(cc1Br)OCO3)C2 19340051 VXAXJZFKAOXKGH-UHFFFAOYSA-N 441.285 2.881 0 40 IFAB CC[C@]1(C(=O)OC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 19500799 VFIODVKIYYZUET-LVBDUCALSA-N 426.444 2.606 0 40 IFAB NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19861154 BNYGLOCDBUDDHH-OAHLLOKOSA-N 435.933 2.619 0 40 IFAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1OC 20022633 YBNSZEMQAONEQZ-OAHLLOKOSA-N 436.530 2.519 0 40 IFAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)cc1 20456755 QJJISMRLXCSYBO-DNVCBOLYSA-N 448.541 2.888 0 40 IFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc(Cl)sc1Cl 22023523 PPTKIZYPAOLPKL-SSDOTTSWSA-N 427.356 2.842 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(OC)cc1 22333749 HAMLJNOTCQOIEB-GOSISDBHSA-N 436.530 2.746 0 40 IFAB CC(C)c1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c2cnn(C(C)C)c2n1 22697582 JOUSIXDVWVKBPK-UHFFFAOYSA-N 440.592 2.906 0 40 IFAB COC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 23098327 PWAASNFHQQIONI-IBGZPJMESA-N 443.500 2.685 0 40 IFAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26538739 LUIBBYPEBXQNFF-UHFFFAOYSA-N 428.510 2.623 0 40 IFAB CCOC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 26944580 YGHZSNAECIEOIF-UHFFFAOYSA-N 435.477 2.541 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32715883 WFUOONTTZSVNSG-JOCHJYFZSA-N 441.597 3.000 0 40 IFAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(Cn2cncn2)cc1 32855873 RYZOUBQRIPVGIL-UHFFFAOYSA-N 442.317 2.525 0 40 IFAB COc1cc(NC(=O)COC(=O)c2ccc(-c3nc(C)no3)cc2)cc(OC)c1OC 32905917 JGTUDAJJZCNZJR-UHFFFAOYSA-N 427.413 2.866 0 40 IFAB O=C(CN1CCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CC1)Nc1ccccc1Cl 36385056 IDCDGNNFFKDICG-IBGZPJMESA-N 427.888 2.725 0 40 IFAB Cc1c(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)cnn1C(F)F 36614484 BRGMYCCKYSXACT-UHFFFAOYSA-N 449.321 2.856 0 40 IFAB Cc1cccc(OCCNC(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 40158450 GCNKASPOLZVINI-UHFFFAOYSA-N 428.508 2.551 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 43730803 ATIRIMBNWSMVJN-UHFFFAOYSA-N 436.443 2.585 0 40 IFAB Cc1nc(N2CCN(CC(=O)N3CCOCC3)CC2)c2c(-c3ccccc3)csc2n1 58160065 QXRNUICPVGKWAW-UHFFFAOYSA-N 437.569 2.648 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)c1 59816914 YIAMWWRGSRWYIH-DVOMOZLQSA-N 425.489 2.610 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340239 FXGCNPNVFBQWKA-UGAHGUMRSA-N 442.556 2.809 0 40 IFAB CC(C)N1CCC(NS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)c2ccccc2)C3)CC1 72345763 AFUGLDKNSWRIPH-JOCHJYFZSA-N 441.597 2.735 0 40 IFAB COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cn5cccnc5n4)C3)n[nH]2)cc1 72371693 WNOMFMXHJXYDCC-MRXNPFEDSA-N 432.484 2.712 0 40 IFAB CC(C)C[C@H](NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)c1nc(-c2nc[nH]n2)no1 89821074 RNAWCOWLQSTIEV-NSHDSACASA-N 446.320 2.809 0 40 IFAB CN1C(=O)C[C@H](C(=O)N2CCC(C)(CN3CCOCC3)CC2)[C@@H]1c1cccc(Cl)c1 95441797 LQQQNNHDHNHXBN-FPOVZHCZSA-N 433.980 2.820 0 40 IFAB C[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nnc2ccccn12 95475527 LLKOFNSDXSLSGT-CYBMUJFWSA-N 433.921 2.804 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1 96099481 UATWJAYEEUXLKP-UHFFFAOYSA-N 425.503 2.655 0 40 IFAB O=C(O)c1nccc2c1cc(I)n2S(=O)(=O)c1ccccc1 96321341 PTCDVSBKLYWLHL-UHFFFAOYSA-N 428.207 2.576 0 40 IFAB O=C(N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O)OCc1ccccc1 139453203 RCVSCHJHQHQCGN-AWEZNQCLSA-N 441.221 2.919 0 40 IFAB in-vitro O=C(c1ccc(Cn2nnc3ccccc3c2=O)cc1)N1CCN(Cc2ccccc2)CC1 149803799 TWFMDTXMBPQUAR-UHFFFAOYSA-N 439.519 2.798 0 40 IFAB O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCN2CCCC[C@@H]12 170609748 OHJDMSVVJURXPW-APWZRJJASA-N 427.998 2.779 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220443819 SWTWTTBRYNQYGC-LBPRGKRZSA-N 426.441 2.935 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OC)c(OC)cc3C(C)=O)c(C)cc21 223359229 NFZYLTNCJOZTTN-UHFFFAOYSA-N 434.470 2.943 0 40 IFAB CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O 245228773 FKJUUKVGJGPQSF-BGJURXJTSA-N 431.485 2.661 0 40 IFAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2cccc(C)c2C)[C@H]1c1ccccc1 257251944 JSYCPACMKOPYPM-FIXSFTCYSA-N 436.556 2.650 0 40 IFAB O=C1CN(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)C(=O)N1 257269347 MPOZFTMREPVWIH-HNNXBMFYSA-N 435.406 2.701 0 40 IFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc(N3CCCC3)cc1)CC2 257300530 RUQDEZIDLHBBPL-LJQANCHMSA-N 448.571 2.653 0 40 IFAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)CN4CCC(C)CC4)CCO3)n2)s1 257335966 YMPLWGLRCHNXHY-QGZVFWFLSA-N 430.578 2.871 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408662728 PGXANLGFWMIQEN-CVSRONHPSA-N 425.268 2.506 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 408663753 NHSICKIYRYGRCR-UHFFFAOYSA-N 440.456 2.504 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 811738 SXPHUVIRWXPEGX-UHFFFAOYSA-N 432.542 2.729 0 40 IFAB Cc1sc2ncn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)c(=O)c2c1C 1328698 KSPZLBCXUUMQSS-UHFFFAOYSA-N 442.541 2.755 0 40 IFAB O=C(NC[C@H]1C[C@@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 1388728 RSPLRIXLWYQLRT-IEBWSBKVSA-N 427.936 2.766 0 40 IFAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 2629961 QNFJSZLAVLYOII-SCLBCKFNSA-N 434.518 2.518 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc(Br)s2)cc1 3295011 YCUGRNQDNBWUTF-UHFFFAOYSA-N 446.344 2.866 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC 3415390 HFNFNDIJFHQSFR-BJMVGYQFSA-N 428.441 2.866 0 40 IFAB CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 3420162 MYHUXXBQFQAFBT-MRXNPFEDSA-N 430.526 2.852 0 40 IFAB Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccc(F)c5)n4)CO[C@H]23)cc1 5440244 SCHKMNJLGKOCJM-FNAHDJPLSA-N 434.471 2.968 0 40 IFAB biogenic,in-vitro O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 8900334 QVOCYMOYSZNLFY-UHFFFAOYSA-N 439.493 2.974 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)cccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 9215837 OWKAWYHQJDWIMW-LJQANCHMSA-N 438.915 2.628 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC3CCCCC3)CC2=O)cc1 9217178 JZNJIIAOEPZUTP-SFHVURJKSA-N 435.590 2.767 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 9432084 WNZKBVGVJPAPQM-CLAROIROSA-N 429.476 2.909 0 40 IFAB O=C(OCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849404 SDNAIOGKRAAGDL-UHFFFAOYSA-N 433.447 2.808 0 40 IFAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 10105011 MQZQGUHTAMPPOJ-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB C[C@@H](NC(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc2c(c1)OCCO2 10216203 RNUBCLZHTFHVJW-MRXNPFEDSA-N 436.512 2.615 0 40 IFAB Cc1ccn(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)/c(=N/C2CCCCC2)c1 10800672 MZCDSTTWVGVGJV-XTQSDGFTSA-N 430.574 2.841 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccncc2)cc1 11151988 HISGEYNEFSOATK-GOSISDBHSA-N 425.514 2.725 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1 11456875 ICYNHONCLGZCRQ-UHFFFAOYSA-N 440.477 2.600 0 40 IFAB CC(C)Oc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 11858220 XDYWYYSCYVEGII-CQSZACIVSA-N 438.527 2.587 0 40 IFAB CC(=O)N1CCC[C@@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 12163038 JHSCHRZCALCHAG-XZOYJPPVSA-N 428.577 2.573 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 12575049 OEXHGOPVAUAZDD-NRFANRHFSA-N 438.553 2.727 0 40 IFAB O=C(NC1CC1)c1ccc(/C=C/C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 12908647 QPJZMGPJZRUYKK-CEQQRPIWSA-N 444.578 2.869 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc4c3CCCC4)c2)CC1 12925186 DMBZYWJNBNOELZ-UHFFFAOYSA-N 441.553 2.671 0 40 IFAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12998083 UEYFZXZFIYGLFD-LXGFQCHUSA-N 449.592 2.606 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1ccc(F)c(F)c1 13038158 INEDVUOOMNIWPF-UHFFFAOYSA-N 429.876 2.563 0 40 IFAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)c1 13606991 NLBUSGYDKDNNBP-TXPKVOOTSA-N 442.365 2.947 0 40 IFAB Cn1c(SC[C@@H](O)COCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCC3 14200909 WKLCORACEYZHKD-ZDUSSCGKSA-N 446.550 2.882 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)n(-c2cccc(OC)c2)c(=O)[nH]c1=O 17029338 RTMOVKJWIXZJHU-NRFANRHFSA-N 432.480 2.689 0 40 IFAB biogenic O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 17169988 REPRFTMCDYRUQL-GOSISDBHSA-N 438.546 2.967 0 40 IFAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(C(N)=O)cc4)nnc32)cc1 17307716 FPCIJZQODOOWFK-UHFFFAOYSA-N 438.513 2.658 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl 18215900 LLRKVCSMACZIJA-BETUJISGSA-N 444.841 2.623 0 40 IFAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005643 HERQQPATWJBJHW-VQIMIIECSA-N 434.558 2.898 0 40 IFAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 20040824 BZSGLMXPBYOEPV-UHFFFAOYSA-N 446.510 2.506 0 40 IFAB CC(C)c1nnc2ccc(N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)nn12 20745152 MXOIKKVWDUDJNJ-UHFFFAOYSA-N 433.560 2.813 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22797488 ABTMMORMAWHMLO-UHFFFAOYSA-N 447.539 2.974 0 40 IFAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(CC(=O)N2CCCCC2)CC1 22934890 DGLOQIHTIHSSIJ-HNNXBMFYSA-N 427.376 2.951 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br 30501587 DGYGLXAZUSLXRR-LLVKDONJSA-N 448.360 2.901 0 40 IFAB NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c2ccccc21 32101700 FMXLELNKUUPLLQ-JOCHJYFZSA-N 435.871 2.695 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCc1cccnc1-n1ccnc1 32778160 XFLBVVCCOGZTKY-UHFFFAOYSA-N 444.421 2.590 0 40 IFAB CCc1ccccc1-n1cnnc1SCC(=O)NCCS(=O)(=O)Cc1ccccc1 32916015 LONADQQZIKGBOO-UHFFFAOYSA-N 444.582 2.653 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NC[C@H](C)Cn3nc(C)cc3C)CC2)c1 40142473 GZEBWNUMOYLFDP-INIZCTEOSA-N 442.560 2.822 0 40 IFAB Nc1cc(-n2cnnc2)ccc1N1CCN(C(=O)c2cccc(Br)c2)CC1 70461884 IPRYLIFSEAOMOM-UHFFFAOYSA-N 427.306 2.574 0 40 IFAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 72374866 MXHQKFXWBIJUNG-FQEVSTJZSA-N 438.576 2.969 0 40 IFAB COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 78933506 OBZRYFWZUZPJEQ-PXNSSMCTSA-N 446.569 2.856 0 40 IFAB Nc1nsc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)CC2)n1 79060648 DPVWUGOBAYXYTR-UHFFFAOYSA-N 427.917 2.967 0 40 IFAB CCN(CC)C[C@@H](O)CN(c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 95117125 ZWHICEVXKVPZAM-OAQYLSRUSA-N 433.574 2.851 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(S(N)(=O)=O)cc32)cc1C(F)(F)F 95961037 FVOYBPYSCLAHJH-UHFFFAOYSA-N 434.461 2.803 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1cccc(C)c1 96521155 BBHRFODQAAKMCA-QWRGUYRKSA-N 433.105 2.947 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(Cl)cc4)no3)C2=O)cc1 101275120 ANIODPIJFNMOBY-SJORKVTESA-N 438.831 2.892 0 40 IFAB CN(C)C(=S)/N=c1\ss/c(=N/S(=O)(=O)c2ccccc2)n1-c1ccccc1 104276732 DDYHZFMYFSEZGK-JQNBNMKOSA-N 436.609 2.637 0 40 IFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)ccc1C 223909795 SWZJVSNTJNNMQP-UHFFFAOYSA-N 431.470 2.661 0 40 IFAB CN(Cc1ccc(C(=O)NCCN2CCCC2=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 224435325 UGRABOVAIRQVBQ-UHFFFAOYSA-N 449.960 2.513 0 40 IFAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1 225411240 HLTIRFVVPLOXKB-RTBURBONSA-N 427.555 2.969 0 40 IFAB Fc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCOCC3)n2)cc1 225947339 HIAKJWNWRBWKPK-UHFFFAOYSA-N 430.553 2.929 0 40 IFAB CCCn1ccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)n1 257248369 JDJGIMMVQLFCJI-VDKIKQQVSA-N 440.588 2.597 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 257296565 RDISMJCWHPIYEN-WDSOQIARSA-N 428.558 2.672 0 40 IFAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408635528 DDFSOKRLECWKCM-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccn2)C1 408701369 WTTIVKSUXUKRTO-SFHVURJKSA-N 431.558 2.931 0 40 IFAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccc(OC)c2)cc1 408709974 JTPGNXPLILWFJL-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccccc1OC 408980605 GATYJXDHXPGJTD-GTENMVSRSA-N 440.546 2.868 0 40 IFAB COc1ccc(CCC(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 507030390 SNFDTCZOWZGGRT-UHFFFAOYSA-N 448.449 2.823 0 40 IFAB O=C1NCC2(CCCCCOc3ccccc31)CCN(C(=O)CCN1CCCC1=O)CC2 643558985 YGQBUKPOXFLOBC-UHFFFAOYSA-N 441.572 2.991 0 40 IFAB Cc1nc(C)n(CCC(=O)N2CCOCCOc3ccccc3Oc3ncccc3C2)n1 643573709 KBBAXRSJOWOEKQ-UHFFFAOYSA-N 437.500 2.910 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H](COc4ccc(C(C)(C)C)nn4)C3)nn2)n1 1888900950 LJROCVVXUPTHFC-KRWDZBQOSA-N 435.532 2.908 0 40 IFAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 929217 ULXCZNDRJLLZQB-UHFFFAOYSA-N 428.470 2.862 0 40 IFAB Cc1cccc(C(=O)N2CCC[C@H](c3nc(=O)c4nnn(Cc5ccccc5)c4[nH]3)C2)c1 1334985 NENMRUMPZZJZDM-IBGZPJMESA-N 428.496 2.891 0 40 IFAB CCNC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 1466145 KCIVYTMGRDNTQF-LBPRGKRZSA-N 425.510 3.000 0 40 IFAB CCOC(=O)c1sc2nc(COC(=O)COc3ccccc3OC)[nH]c(=O)c2c1C 2632754 VAOYQLKQWIGZHI-UHFFFAOYSA-N 432.454 2.601 0 40 IFAB CSc1nn(-c2ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc2)c(=S)s1 3441669 KOZIEZFIGHRRBR-LLVKDONJSA-N 426.545 2.761 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl 3489108 FFLXAONXYFKYLT-GOSISDBHSA-N 442.896 2.964 0 40 IFAB CCOc1ccc(CN2C(=O)[C@@]3(SC(NC(C)=O)=NN3C(C)=O)c3ccccc32)cc1 8843718 WMSLQGPXOIKTDN-QFIPXVFZSA-N 438.509 2.787 0 40 IFAB CC(=O)N1N=C(c2ccc(N(C)C)cc2)C[C@H]1N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 8863623 NDVWHSOKUWWYHL-PKTZIBPZSA-N 433.512 2.802 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)CC2=O)cc1 9288734 NKVMEBXJBBUQJV-INIZCTEOSA-N 440.452 2.650 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 9569135 XQLLWRCKXQUNGH-UHFFFAOYSA-N 446.934 2.698 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 9633249 MHLGKQCOEWFWAP-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB CN(C)C(=O)COC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 9638892 BRNLSAHUONWQLQ-UHFFFAOYSA-N 426.494 2.815 0 40 IFAB COC(=O)c1cc(-c2ccccc2OC)nc2c1c(=O)n(C)c(=O)n2Cc1ccccc1 9644584 SXGXMYGLHIMPCC-UHFFFAOYSA-N 431.448 2.606 0 40 IFAB CC(C)Oc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 9824010 ZKHGVJYLOUTQPW-UHFFFAOYSA-N 443.511 2.960 0 40 IFAB C[C@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12 10762364 METCLUOCTPUFBM-AWEZNQCLSA-N 443.477 2.918 0 40 IFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1Br 10834028 AYLMASCJWCDZEZ-CYBMUJFWSA-N 427.320 2.670 0 40 IFAB O=C(CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1Br 10834030 AYLMASCJWCDZEZ-ZDUSSCGKSA-N 427.320 2.670 0 40 IFAB CCOc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071538 MRPZCBMZCJUIBU-UHFFFAOYSA-N 435.459 2.609 0 40 IFAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccc1 12389124 COVADIMFKZQKAC-MRXNPFEDSA-N 449.960 2.886 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1 12604524 WNLXVQLNXQBEKA-UHFFFAOYSA-N 445.585 2.945 0 40 IFAB CC(C)C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)O 12798118 YBUPCVYSXKFKSB-UONOGXRCSA-N 438.575 2.893 0 40 IFAB COc1cc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc(OC)c1 12987263 PHBGNMAZWOOCLI-VOTSOKGWSA-N 427.476 2.639 0 40 IFAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036763 DHPLIWLONJGWDC-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)N1CCOCC1 13056772 ZSAGFNLULMEJGA-XQGSBLGISA-N 448.585 2.911 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 13163965 CVIMZBMTLRYEOC-IBGZPJMESA-N 435.358 2.943 0 40 IFAB COc1ccccc1N1CCN([C@H](c2ccccc2)c2nnnn2C[C@@H]2CCCO2)CC1 13504343 HWQBMBYDTSODMY-NZQKXSOJSA-N 434.544 2.772 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 13677230 JCMTUQMYPFHEQC-HXUWFJFHSA-N 445.541 2.724 0 40 IFAB COc1cc2cc(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c(OC)c1OC 13733380 TYQPYKWOJRNVSW-NSHDSACASA-N 441.440 2.679 0 40 IFAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14701642 AQNBYFXWOWEFCS-UHFFFAOYSA-N 440.521 2.670 0 40 IFAB Cc1cccc(-n2ccnc2SCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c1 16126635 NEUURCZNJFQUIR-OAHLLOKOSA-N 442.566 2.898 0 40 IFAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CCCCC4)nn3c(O)c2C1 19017925 YAICQNGGNNTRTP-HXUWFJFHSA-N 425.533 2.973 0 40 IFAB O=C(CCn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19406121 IAMIQPDDJDJCAE-NRFANRHFSA-N 438.576 2.801 0 40 IFAB CCN1CCN(C(=O)CN2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527491 PGNGRVHIEDMYOH-QHCPKHFHSA-N 433.552 2.825 0 40 IFAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCC2(CC1)OCCO2 19644656 HJFRTQGRAIXTAV-UHFFFAOYSA-N 446.525 2.988 0 40 IFAB COc1cccc(OC)c1C(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19694711 KHHWNKRYHSTXKU-OAHLLOKOSA-N 434.500 2.647 0 40 IFAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19762103 BLXIFIJZBMTXID-OAQYLSRUSA-N 448.589 2.581 0 40 IFAB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1cccc(I)c1 20151782 BRBGDNQTPFQUSB-UHFFFAOYSA-N 442.234 2.822 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22932677 VOPDEDZYKIRZLZ-AEFFLSMTSA-N 440.510 2.956 0 40 IFAB CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccsc1 29140641 DAXDLBLFBOMVMG-INIZCTEOSA-N 427.617 2.629 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 30855340 KBGGZUMDNOWFPN-HNNXBMFYSA-N 431.514 2.615 0 40 IFAB COC[C@@H](C)NC(=O)c1nc(-c2ccccc2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616456 XWCIARNQBSOOBS-RHSMWYFYSA-N 442.541 2.531 0 40 IFAB CCc1nn2c(=O)cc(CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)nc2s1 32759943 QSWZYGOAGBXKJV-UHFFFAOYSA-N 438.479 2.840 0 40 IFAB COc1cc2c(cc1NC(=O)CN1CCC[C@H](CNS(C)(=O)=O)C1)oc1ccccc12 32916335 GIJFFRNZHZCYSQ-OAHLLOKOSA-N 445.541 2.794 0 40 IFAB O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(F)c(Cl)c1 35430789 BEGWWZFIMKGNLQ-UHFFFAOYSA-N 432.858 2.968 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 35804926 YRMOPAGMKRTMFB-HJJDGDTKSA-N 447.535 2.889 0 40 IFAB biogenic Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc(-c3cccc(C(=O)O)c3)o1)CC(=O)N2 36367207 RKIYEQPGHNCKTO-AWEZNQCLSA-N 431.408 2.696 0 40 IFAB Cc1ccc(CSCCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 38837327 UBJMKUOPWHTSTI-HXUWFJFHSA-N 434.583 2.962 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)n(C)c1 40112441 QCVNXQOWBJWVPQ-UHFFFAOYSA-N 428.514 2.667 0 40 IFAB CC(C)C[C@@H]1N[C@H](C(=O)NCCN(C)C)Cc2cn(Cc3nccn3C)c3cccc1c23 49171760 SMRZFFDLRICOLA-SFTDATJTSA-N 436.604 2.702 0 40 IFAB biogenic,in-vitro O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc2c(c1)OCO2 49401318 MTCSDEUGQAKZBQ-UHFFFAOYSA-N 444.447 2.974 0 40 IFAB COCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccsc2c1=O 57425730 OIMMSRJRRYRNJD-UHFFFAOYSA-N 433.511 2.622 0 40 IFAB COC(=O)N1CCC(NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)CC1 58378269 FUGSVOGWZMFPEI-UHFFFAOYSA-N 441.731 2.620 0 40 IFAB O=C([C@@H]1CCCCN1C(=O)/C=C/c1cc(Br)ccc1F)N1CCOCC1 65603726 REJWDFYGLPQYMO-PFWMLDTASA-N 425.298 2.841 0 40 IFAB COc1cccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 67255246 ZUHLYMINFZWDNM-UHFFFAOYSA-N 440.521 2.623 0 40 IFAB CCN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 72272384 NKXVENNNKSJCTG-YADHBBJMSA-N 425.529 2.527 0 40 IFAB CCOc1cc2c(cc1CN1CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC1)OCO2 72338948 CBYNTGUUPVXQJD-JOCHJYFZSA-N 445.541 2.756 0 40 IFAB COc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c(OC)c1OC 89435049 CUTROJHXXUGJKD-LFIBNONCSA-N 443.481 2.574 0 40 IFAB O=C(COC(=O)c1ccc(Cl)cc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 89780748 AYUBCSSHYNJSGV-UHFFFAOYSA-N 438.889 2.626 0 40 IFAB Cn1c(CCCCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96221995 MOTUZWGZPKTDRV-IBGZPJMESA-N 433.512 2.543 0 40 IFAB biogenic COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCCn1nc(C)cc1C)NC2=O 100181945 QSDYHZULMVYJGK-MXBPETCHSA-N 438.528 2.580 0 40 IFAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1ccccc1F 101467324 CKWOKWQGOHWZJA-CALCHBBNSA-N 447.532 2.665 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1CCN1CCOCC1 223155740 LOKXHRISPGSPFU-XZOQPEGZSA-N 448.596 2.631 0 40 IFAB COC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 223869336 UEBYNPIZTDPSTF-UHFFFAOYSA-N 435.889 2.725 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1 257307133 SXINLPPLFOKNOX-MRXNPFEDSA-N 428.470 2.819 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOc4ccccc43)C2)cc1OC 260752029 WZEWLGLOKNKIEH-INIZCTEOSA-N 446.525 2.530 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CC[C@]3(COCC[C@@H]3NC(=O)Cc3ccccc3)C2)cc1 306125810 DCXQTGHTANGMGT-LADGPHEKSA-N 442.581 2.665 0 40 IFAB Cn1nccc1[C@@H]1CN(C(=O)Cc2ccco2)C[C@]12CCCN(Cc1ccccc1)C2=O 306130023 IUEOMKHNWTWKBK-SQJMNOBHSA-N 432.524 2.991 0 40 IFAB CCS(=O)(=O)NCc1ccc(-c2nc(Cc3nc(-c4ccccc4)nn3C)no2)cc1 545140883 TUXSYSDLDUSPGE-UHFFFAOYSA-N 438.513 2.562 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCc3ccccc3[C@H]2C(N)=O)sc2c1CC[C@@H](C)C2 609355642 YHINELRGZZWFGQ-XCLFUZPHSA-N 441.553 2.683 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(I)c2)[C@@H](c2ccccc2)C1 610081263 NFBYKXJWVGNHAY-QGZVFWFLSA-N 442.322 2.969 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NC[C@H]3CCCN(C)C3)ccc21 643584291 LTHLHHBWSUOAGB-HXUWFJFHSA-N 444.620 2.791 0 40 IFAB O=C(N[C@H]1CCCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1)c1ccccc1 1538962218 ZKZWTJZHYWKLQZ-IBGZPJMESA-N 437.521 2.917 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1 2398537 ULURVYCJOJDRBG-INIZCTEOSA-N 447.532 2.678 0 40 IFAB COc1ccc(CNC(=O)CCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1 2975233 PHJBUIGDPUGHDG-UHFFFAOYSA-N 427.482 2.893 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 3259725 JHXHOFSMLZFPFP-ONNFQVAWSA-N 426.469 2.736 0 40 IFAB CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6501199 GAVIVNUNMGCVNV-HNNXBMFYSA-N 431.562 2.802 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1OC 8995881 QDMVQWWUPGZAIN-UHFFFAOYSA-N 446.485 2.533 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 9631220 PTCHTVANBMRPRW-PQGVJJGYSA-N 436.574 2.778 0 40 IFAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 9878493 MEOTYQZWUCPMTL-UHFFFAOYSA-N 449.496 2.684 0 40 IFAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCc2ccccn2)c1 9882159 BLSDBVOOYAUCSB-UHFFFAOYSA-N 439.493 2.974 0 40 IFAB CNC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 10337535 PJZXNUVTPBINPS-UHFFFAOYSA-N 441.962 2.801 0 40 IFAB COc1ccccc1N1CCN(C(=O)COC(=O)c2ccc(Br)cc2)CC1 10557155 OFYNFFKXTJGDOX-UHFFFAOYSA-N 433.302 2.963 0 40 IFAB O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 11796195 AAKPNRVLVGZWKZ-UHFFFAOYSA-N 439.940 2.751 0 40 IFAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12391820 FJXQCADDGQPFCM-UHFFFAOYSA-N 434.518 2.528 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2Cc2ccco2)cc1F 12777198 SEJXFTYJDHXGAC-CYBMUJFWSA-N 431.493 2.904 0 40 IFAB COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2=O)c1 13021431 NBFYKVSOBNLMSU-QGZVFWFLSA-N 441.915 2.686 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCCSc2ccccc2)cc1 13029099 PUGMPNSWHWLNBL-UHFFFAOYSA-N 435.571 2.564 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2cc(C(=O)OC)ccc2=O)sc2c1CC[C@H](C)C2 13113014 GUYWKNSZSPFSPK-LBPRGKRZSA-N 432.498 2.637 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 16047565 GTPBPDVEEHEZOG-UHFFFAOYSA-N 431.452 2.624 0 40 IFAB Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 19133750 XHOPQJINLZWVMW-YADARESESA-N 443.613 2.870 0 40 IFAB COc1ccc(CC(=O)NC2CCN(Cc3cc(-c4ccccn4)nn3C)CC2)cc1F 19288954 GJLSOMYNUBRHNB-UHFFFAOYSA-N 437.519 2.953 0 40 IFAB COc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)CN(C(C)=O)CC3)c1 19710366 PPZGZIVSUTWARM-NRFANRHFSA-N 437.544 2.823 0 40 IFAB Cc1cnc2c(C(=O)N[C@H]3CCc4ccc(S(=O)(=O)NC5CCCC5)cc43)cnn2c1 19749534 GBBWGIIYKIQYKF-FQEVSTJZSA-N 439.541 2.676 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 20734826 SSWLPMCMSBGYJM-MRXNPFEDSA-N 441.915 2.686 0 40 IFAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 20744319 ASSLVECMSJWDHX-UHFFFAOYSA-N 425.938 2.825 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CCOCC2)cc1 23107547 JWQYPLSUTQZWOI-HXUWFJFHSA-N 431.920 2.785 0 40 IFAB O=C(NCCN1CCOCC1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 23128116 XGADVZDRRKSMBK-UHFFFAOYSA-N 442.466 2.792 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606624 WMZQPQPGXLORAL-OAHLLOKOSA-N 435.571 2.926 0 40 IFAB Cc1cc(N2CCN(CC(=O)N[C@H](c3ccccc3)c3nccn3C)CC2)nc(C(C)C)n1 28936229 FAGFXYIDMSAGCU-HSZRJFAPSA-N 447.587 2.670 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CSCc1cc(=O)n3ccsc3n1)CC2 31240194 GFLHRMMWFIYDBC-UHFFFAOYSA-N 431.539 2.591 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-n2cnnn2)ccc1Br 32102230 XAYUJDWPOZTQHY-UHFFFAOYSA-N 441.333 2.819 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCc3cccc(F)c32)cc1 32906748 NIGQNSVPXGPZKL-UHFFFAOYSA-N 426.535 2.998 0 40 IFAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 38828434 AUGWQUXFVSSKIN-ZENOOKHLSA-N 425.489 2.610 0 40 IFAB COc1ccc(CNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OC 44947175 DXJGKGLZKVVVCP-UHFFFAOYSA-N 428.510 2.939 0 40 IFAB COCCn1c(SCC(=O)N2CCOc3ccc(C)cc32)nc2ccsc2c1=O 57478547 IKNZXNKCPYTIHY-UHFFFAOYSA-N 431.539 2.931 0 40 IFAB NS(=O)(=O)Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 58643877 RKKURVFGBALXKL-UHFFFAOYSA-N 437.930 2.712 0 40 IFAB Cn1ccnc1COc1ccc(CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 59421055 CHVXTPOVBDWPKC-HSZRJFAPSA-N 448.523 2.626 0 40 IFAB C[C@@H](C(=O)CNC(=O)[C@@H](N)CCCCN)c1ccc(Cl)cc1C(=O)c1ccccc1 65734430 WQRZTXVDPVPVDN-QRWLVFNGSA-N 429.948 2.816 0 40 IFAB in-vitro Cc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 72274811 YSQACWOOFWLPEA-UHFFFAOYSA-N 437.606 2.808 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3ccnn3C)C2)ncc1C(=O)NCc1ccc(F)cc1 72345550 QERLMAXIXHCWCK-KRWDZBQOSA-N 436.491 2.607 0 40 IFAB CC(C)c1n[nH]c(CC(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)n1 72371781 MIKRMIOPNJXXKQ-HNNXBMFYSA-N 426.496 2.970 0 40 IFAB O=C(Nc1ccc(Cl)cc1)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccno3)CC2)O1 96144660 UHCRTMMBDZMVRS-QGZVFWFLSA-N 441.875 2.694 0 40 IFAB CC(C)CN1C[C@@H]2[C@H](C1)C(=O)N(C)C21CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 96262222 HYFHYDLFWUSSAG-RBUKOAKNSA-N 440.009 2.539 0 40 IFAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101068673 IHTKLVMKCOTJQU-AAALWKFZSA-N 426.516 2.967 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4Cl)no3)C2=O)cc1 101274920 NZWAOJFJYZVOCL-SJORKVTESA-N 438.831 2.892 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(NC[C@@H]3CCCO3)c(C(=O)O)c2)cc1 217620217 NWOBLTONZDTRRR-KRWDZBQOSA-N 434.514 2.505 0 40 IFAB C[C@@H](C(=O)NCCO)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222801272 HEQFVQKXPIHTDK-AWEZNQCLSA-N 425.312 2.898 0 40 IFAB CCN(c1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1)S(=O)(=O)CC 224749960 XZCNYUOUORKUNR-UHFFFAOYSA-N 445.585 2.625 0 40 IFAB CCN(CC(=O)NCc1c(OC)cccc1OC)S(=O)(=O)c1ccc(Cl)cc1 226048403 SPOOEUCPZKWLPX-UHFFFAOYSA-N 426.922 2.684 0 40 IFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 247797282 DFGLLSRSIKNJDJ-NLOPZFEXSA-N 449.507 2.519 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CN2CCC(C)CC2)CC1 257205056 AXLJKZMKIXYFBD-VDKIKQQVSA-N 429.605 2.554 0 40 IFAB CC(=O)N[C@@](F)(Cc1ccccc1)C(=O)N1CCC[C@@](C)(c2cc(N(C)C)nc(C)n2)C1 257300916 RWFKZPGLJVQJAV-RPWUZVMVSA-N 441.551 2.776 0 40 IFAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)c3ccccc3C)CC2)C1 306139745 TZAUTABPCGEIEQ-UHFFFAOYSA-N 446.511 2.862 0 40 IFAB CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@@]2(CCN(Cc3ccccc3)C2)O1 306141642 WCSXLRUODRQFBH-RSXGOPAZSA-N 434.584 2.796 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 408663868 PDOWUTHNCWZRTD-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 585283862 IKQRKQUFLMAPMQ-RBBKRZOGSA-N 436.474 2.752 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 3354531 IDXYZDLGYPSDQJ-IBGZPJMESA-N 441.553 2.501 0 40 IFAB CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6501494 YPKAOQBZJXGCMB-OAHLLOKOSA-N 449.552 2.941 0 40 IFAB Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)c1C 8684850 AWLHBDGGBFPFFO-CYBMUJFWSA-N 426.589 2.636 0 40 IFAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@@H]1CCS(=O)(=O)C1 8991035 LYCGXKXXUSKNOU-CQSZACIVSA-N 447.896 2.796 0 40 IFAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(O)N(CCc3ccc(F)cc3)C2=O)c1 9088615 HWWDHIKLRMCRPX-IBGZPJMESA-N 439.365 2.822 0 40 IFAB C[C@]1(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)CCS(=O)(=O)C1 9170235 FHAYTOLNFHEJBH-IBGZPJMESA-N 438.575 2.829 0 40 IFAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCN1C(=O)c2ccccc2C1=O 9592742 GWXWGNMDUXVENB-KRWDZBQOSA-N 446.912 2.988 0 40 IFAB COc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 9670806 NPTXUNLOGCEWIC-HNNXBMFYSA-N 437.514 2.578 0 40 IFAB CCn1c(CSc2nnc(C)n2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9714823 CCVJRZKKJBUYIN-UHFFFAOYSA-N 434.591 2.960 0 40 IFAB Nc1nccnc1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 10141792 YFUCXIBJCRZMSK-OAHLLOKOSA-N 425.832 2.840 0 40 IFAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1C 10271830 UCSBVKWBOCQDFC-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC 10640790 NANUREKFCMWKAE-ONNFQVAWSA-N 428.460 2.748 0 40 IFAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CC[C@@H](c4ccccc4)C3)CC2)Oc2ccccc21 12086267 UVWSGQKARWMQPE-CLOONOSVSA-N 433.508 2.534 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)Cc4ccc(F)cc4)CC3)c(=O)c2c1C 12188619 DTAZCZMPUHXFNR-UHFFFAOYSA-N 429.517 2.810 0 40 IFAB CCOC(=O)c1ccc(-n2c(-c3cccs3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12411118 UUCFBADYYUKNED-UHFFFAOYSA-N 449.492 2.581 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12911900 YBMQRHVEEHPWMK-KGLIPLIRSA-N 430.455 2.988 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 12981045 NHRPSTZDSKAXRD-UHFFFAOYSA-N 444.553 2.907 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)cc1 13668307 HPMMPGWAHVBJQC-UHFFFAOYSA-N 439.965 2.530 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 14244650 ZSBSVEFGLRPPEU-SFHVURJKSA-N 441.484 2.960 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 15541410 JADQTQPFNPRUFZ-NRFANRHFSA-N 430.526 2.693 0 40 IFAB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC[C@@H](C(=O)OCC)C3)C2=O)cc1 18204385 FCYOHSVNGFHIEL-MJGOQNOKSA-N 430.501 2.551 0 40 IFAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCN1C(=O)CCn1ccccc1=O 19239818 VBLHTBQDCPLVQR-FQEVSTJZSA-N 432.528 2.829 0 40 IFAB O=C(c1ccccc1)N1CCC[C@H]1c1nn(CCO)cc1-c1ccnc(N2CCCC2)n1 19368756 XZTNPEKXKYVEJZ-NRFANRHFSA-N 432.528 2.910 0 40 IFAB Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@@H](c4ccc(-c5ccc(N)nc5)cn4)C3)c2c1 19692421 QEYUDTLCQYBFMY-OAQYLSRUSA-N 445.479 2.542 0 40 IFAB COc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]c2C(N)=O)cc1 19697016 BDQFRODTEBYAHP-UHFFFAOYSA-N 440.525 2.753 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CCC(=O)N2CC1CCCCC1 19741543 SDXMQDOGLMPAGT-SFHVURJKSA-N 441.576 2.616 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cc(NC(=O)Cc2ccccc2F)cn1 19749412 HUCBLNLGFAVZIP-SFHVURJKSA-N 438.459 2.502 0 40 IFAB CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)ccc1Cl 21067186 SFFIQDDGFRCWIP-UHFFFAOYSA-N 435.933 2.869 0 40 IFAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 22140272 VEJXCSRYDFNVCB-UHFFFAOYSA-N 431.242 2.535 0 40 IFAB CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 22246567 QKLWCJVEMHMVIS-JOCHJYFZSA-N 443.613 2.666 0 40 IFAB CCOc1ccc(-c2nnc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)o2)cc1 23936178 YWERDUXUQJDSAJ-JOCHJYFZSA-N 436.424 2.831 0 40 IFAB COCCCn1c(=O)c2ccccc2n2c(SCc3ccc(C(=O)OC)o3)nnc12 23950002 JUXBHFZBJYIPAX-UHFFFAOYSA-N 428.470 2.753 0 40 IFAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30943617 WKWCLBMNPZTOQJ-SFHVURJKSA-N 437.905 2.854 0 40 IFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCCc1cc(Cl)c2c(c1)OCCO2 32854757 BPGIALMKHPCBCV-UHFFFAOYSA-N 439.855 2.926 0 40 IFAB Cc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 32906331 KYVPZSMWIOJPRX-UHFFFAOYSA-N 438.496 2.965 0 40 IFAB C=CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] 33740972 AQQBMKCUXILNCJ-UVTDQMKNSA-N 427.369 2.632 0 40 IFAB COc1cccc(NC(=O)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1 34863167 FXDPPCSSWMCCOC-QFIPXVFZSA-N 439.537 2.855 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc1 40400025 LOOVQMXVGOMHDN-OAHLLOKOSA-N 449.467 2.985 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 44841132 QMABSZIGSUPIDB-UHFFFAOYSA-N 446.510 2.642 0 40 IFAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855579 CIEPDZYIMTZULZ-OXJNMPFZSA-N 446.525 2.641 0 40 IFAB COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OCCO 48280047 PHGCMDILODGWQU-UHFFFAOYSA-N 427.238 2.601 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc(Cl)s2)CC1 56908001 IQONDNLEQCPISU-CQSZACIVSA-N 442.994 2.537 0 40 IFAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cs1 59252298 QXHRQJJPYMCPRZ-UHFFFAOYSA-N 433.559 2.592 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2OC)c1C 71327047 LAGNUWJMTYXKEJ-UHFFFAOYSA-N 437.456 2.663 0 40 IFAB COc1ccc(C2(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CCOCC2)cc1 71823550 CADGRVNWIRDJND-ZJOUEHCJSA-N 447.601 2.585 0 40 IFAB biogenic Cc1c(C)c2cc(Cl)c(OCC(=O)NCCc3nnc4ccccn34)cc2oc1=O 79483567 UFZLMSDVKRDQQY-UHFFFAOYSA-N 426.860 2.844 0 40 IFAB CN1CCN(c2ccccc2CNS(=O)(=O)c2ccc(F)cc2Br)CC1 89382781 YBJYNGLEKTWXMR-UHFFFAOYSA-N 442.354 2.819 0 40 IFAB COc1ccc(N(C[C@H](O)CNCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 95117118 IHFZHMXDWNMQDA-LJQANCHMSA-N 430.526 2.943 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 107450046 CUGWRTDSJIMDHZ-YJYWHKCDSA-N 448.585 2.670 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136917601 DKARJKOEVWXOJB-YESZJQIVSA-N 448.523 2.871 0 40 IFAB biogenic CCOC(=O)N1CCN(C(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)CC1 223107209 GQSXPZLARKZVPL-GFCCVEGCSA-N 448.317 2.795 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)COc3ccccc3C)CC2)cc1 225499498 AQOYWJXXJABETD-GOSISDBHSA-N 446.569 2.988 0 40 IFAB COc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(C(F)(F)F)n2)cc1 225932450 ZHMNZMRIVKMPLM-UHFFFAOYSA-N 427.452 2.827 0 40 IFAB COc1ccccc1C(=O)N1CCN2[C@H](CN(C(=O)NCc3ccccc3)CC2(C)C)C1 253398294 GWPDUWUGSIKVBA-FQEVSTJZSA-N 436.556 2.826 0 40 IFAB biogenic,in-vitro Cn1nc([C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 257227592 FQAMCTRKJRKURO-IBGZPJMESA-N 449.433 2.997 0 40 IFAB COc1cc(CN2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)ccc1OCC(N)=O 257327640 XCDWIABZIIBIEG-JOCHJYFZSA-N 449.511 2.666 0 40 IFAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)C3CCCC3)CC2)C1 257339294 ZBCLZMBTADTLFF-RUZDIDTESA-N 440.588 2.507 0 40 IFAB O=S(=O)(Cc1ccccc1)NC[C@@H]1CC[C@@]2(COCCN(Cc3ccccc3F)C2)O1 306132946 LXHSGFLWAYNZQF-JTHBVZDNSA-N 448.560 2.695 0 40 IFAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 408612742 YOIYQIBOVUWBES-SNVBAGLBSA-N 431.283 2.902 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1OC 409057102 UCXOVLMYGNVCIB-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409059258 VTEKYZDLGNXFHB-VNGKGULCSA-O 448.474 2.859 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 409144544 OJEZSDTXIOSXJO-HNNXBMFYSA-N 433.530 2.628 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 409209246 IIKSKTFPPLKNAG-HKUYNNGSSA-N 429.590 2.887 0 40 IFAB COc1ccc(Cl)cc1N1C[C@H](C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1=O 524641468 MTAXQRGKOWYFFD-GOSISDBHSA-N 441.959 2.917 0 40 IFAB C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1 557985972 RAYKBWUAWVTFRQ-SIXGNSJNSA-N 431.552 2.699 0 40 IFAB Cc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(Cc4ccccc4)C[C@@H]23)cc1 585106262 IPVXGKVISZOKHK-PKTZIBPZSA-N 432.568 2.917 0 40 IFAB O=C(NC[C@@H]1CCCCN1CCO)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 622630807 ZORMVSZJHBGPPH-LBPRGKRZSA-N 431.846 2.516 0 40 IFAB Cc1cc2c(cc1Br)CN(C(=O)c1coc(S(=O)(=O)N(C)C)c1)CC2 1134081258 KCYGWLHKVYHGHS-UHFFFAOYSA-N 427.320 2.799 0 40 IFAB O=C(NCc1ccccc1)[C@H]1C[C@@H](NCc2cccnc2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O 2332241899 FETZEHUWIWPOFY-KKSHJYNMSA-N 431.540 2.621 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cccc(C)c2C)CC1 2639432 LHGYTJDRSKZZAJ-HSZRJFAPSA-N 441.597 2.729 0 40 IFAB aggregator O=C(COC(=O)CNC(=O)c1cccc(F)c1)NCCc1ccc(Cl)cc1Cl 3328919 GZCZQMVJYRESSR-UHFFFAOYSA-N 427.259 2.764 0 40 IFAB CCc1cccc(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 3473107 FAKGGGPSDSJNTB-CSKARUKUSA-N 430.526 2.930 0 40 IFAB O=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 8297821 XTGSPAFAMKAQCD-RNIPGJKVSA-N 429.546 2.784 0 40 IFAB biogenic,in-vitro CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccccc2F)cc1 9126731 PXHXVQMYLCUMHC-UHFFFAOYSA-N 433.443 2.880 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)n1 9545434 JMIBWDLMNNRUEG-UHFFFAOYSA-N 440.525 2.762 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9712536 PGVHSSVKGIIOTN-FQEVSTJZSA-N 443.525 2.918 0 40 IFAB CCOc1ccccc1-n1c(S[C@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 9966596 SBJSRKXVIMXFQK-CYBMUJFWSA-N 426.498 2.721 0 40 IFAB COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2 10186683 GGRNNWZFYCPJDM-UHFFFAOYSA-N 436.537 2.592 0 40 IFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2cc(OC)ccc2OC)n2nnnc2N3)cc1 10295530 RMTIIZYONCBSLU-IBGZPJMESA-N 433.428 2.556 0 40 IFAB CN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 11078509 GKTFWMCSXAQUQT-KRWDZBQOSA-N 438.505 2.704 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697999 GHFKVOCIGSAGCM-UHFFFAOYSA-N 433.472 2.741 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)cc1 12444114 AGXIORSAEGWISX-UHFFFAOYSA-N 426.907 2.878 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12598805 KFLNBTHSVHYCPK-GOSISDBHSA-N 442.493 2.670 0 40 IFAB C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NCc1cccs1 12809756 FRHIBCRKAGGDGK-JTQLQIEISA-N 443.554 2.551 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1 13671469 AQHIGIPMDJYCKU-GOSISDBHSA-N 425.595 2.622 0 40 IFAB CCN1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 13845238 XWWNHEYAFXDQLA-UHFFFAOYSA-N 439.940 2.839 0 40 IFAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16024791 VRZPEEWGOMJIFO-AZXNSQLWSA-N 437.927 2.959 0 40 IFAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cn1c(=O)cnc2ccccc21 16091282 BLZXDXQACVXZFU-UHFFFAOYSA-N 432.402 2.691 0 40 IFAB O=C(CCC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19014612 UPPMIXAMLGHAGP-OAQYLSRUSA-N 428.577 2.941 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCC(=O)N2)C1 19449065 WXLWHLMPAUYEPH-DVECYGJZSA-N 439.581 2.980 0 40 IFAB COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1OC 19560386 KZIKUTXBZVOOHM-UHFFFAOYSA-N 440.525 2.859 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)C[C@H]2O 19563070 VFFQYEKVNPEETF-WOJBJXKFSA-N 427.497 2.851 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)c2ccccn2)n1 19701001 FJFSCXZAIAEIGQ-OAHLLOKOSA-N 434.475 2.845 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CCc1ccccc1 19740868 NBSGAVKNOSZDQN-NRFANRHFSA-N 435.572 2.922 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1 20245345 JWAXOUYAWMVRAM-UHFFFAOYSA-N 448.289 2.979 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 22227286 IGXLOWNERWGKNU-UHFFFAOYSA-N 442.459 2.699 0 40 IFAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCc2ccncc2)cc1 22231025 BSUMIRRBHQYDQT-UHFFFAOYSA-N 425.510 2.743 0 40 IFAB CC[C@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(OC)cc1 22333752 HAMLJNOTCQOIEB-SFHVURJKSA-N 436.530 2.746 0 40 IFAB C[C@@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O 23151355 NTFHNBOUTLDQLW-VLIAUNLRSA-N 443.525 2.767 0 40 IFAB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc2c(c1)OCCCO2 23863543 QMOOEGBEWTUDQR-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 24831037 TZHRVJYZHWAGSO-UHFFFAOYSA-N 430.461 2.821 0 40 IFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCCOc1ccccc1C 25702432 JMFRHRZKMOXPLY-UHFFFAOYSA-N 431.485 2.811 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 26673186 FXFUKHGBLURGSX-QGZVFWFLSA-N 434.583 2.974 0 40 IFAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 30886834 VHENPHRSUUGJOU-UHFFFAOYSA-N 448.394 2.998 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCCC4)nc3)C2)s1 31316473 PACDJMYCNPHZBU-SFHVURJKSA-N 448.614 2.769 0 40 IFAB COc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)ccc1OC(F)F 40069118 AKGJDSNMLJRBRT-INIZCTEOSA-N 440.468 2.766 0 40 IFAB CC[C@@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc2c(c1)OCCO2 40156971 FYCNXFNRLNBTLI-LJQANCHMSA-N 435.480 2.975 0 40 IFAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 48326552 YTIHHVANEXKUQR-UHFFFAOYSA-N 428.533 2.884 0 40 IFAB CC(C)(C)NC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O 57504581 PUEOXHPYFTUGPR-UHFFFAOYSA-N 426.864 2.781 0 40 IFAB Cc1ccc2cc(CN(CCCO)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C 57640323 MXRKGCOSVKVSAK-UHFFFAOYSA-N 446.555 2.759 0 40 IFAB CSCC[C@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 96222987 GCHSGZDDHHCMNA-SFHVURJKSA-N 437.525 2.945 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccccc1F 96521134 JZXZJESWKZCOKN-VHSXEESVSA-N 437.068 2.778 0 40 IFAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 101590070 ODRSGVPAKCIRNW-KJJMTIBFSA-N 443.459 2.517 0 40 IFAB O=C(O)COc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 106194299 HTQHDKPTHKKRLC-JYRVWZFOSA-N 449.847 2.686 0 40 IFAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 117532311 LSDCVPDFAOSQHD-UHFFFAOYSA-N 447.250 2.644 0 40 IFAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 206688360 UFPBPDRTYSNJQD-HXUWFJFHSA-N 439.493 2.805 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 222639971 YJIDDPNMVXESOD-UHFFFAOYSA-N 446.525 2.594 0 40 IFAB COc1ccccc1C(=O)NCCCOC(=O)c1snnc1-c1cnc(SC)nc1 223857927 RBWHPRBXRSOMLZ-UHFFFAOYSA-N 445.526 2.703 0 40 IFAB COc1cccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 223897716 RGKZCBADNSSBFI-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB O=C(COc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224274550 BZRKPEGPHJSJHY-UHFFFAOYSA-N 438.933 2.699 0 40 IFAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CN(C)S(=O)(=O)c1ccccc1 224810465 SPZOFALFDQKLKR-IBGZPJMESA-N 432.542 2.815 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccc(F)c(F)c1 224890327 WHRQSLRYPNABQQ-UHFFFAOYSA-N 426.485 2.844 0 40 IFAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(F)cc1F 225405015 NFEWTFCNAAMCBZ-UHFFFAOYSA-N 438.496 2.595 0 40 IFAB CCN(CC(=O)Nc1ccc(CC(N)=O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 226055084 BGIDSNNHGLLPFS-UHFFFAOYSA-N 444.340 2.671 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 226062713 AIEJFTNXVNGACZ-UHFFFAOYSA-N 448.516 2.821 0 40 IFAB CCOc1ccc(Cc2cccc([C@H]3CN(C(=O)Cn4nc(C)ccc4=O)CCO3)n2)cc1 257241226 HXFAUPPPZXEMOI-HSZRJFAPSA-N 448.523 2.536 0 40 IFAB COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 306138891 SKGZTOYPPFTCHU-AHWVRZQESA-N 444.535 2.882 0 40 IFAB Cc1ccc(C)c(N2CCN(C(=O)C3CN(c4cc(-n5nc(C)cc5C)ncn4)C3)CC2)c1 390827113 UHBSCCGRXQLCQS-UHFFFAOYSA-N 445.571 2.681 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 408678583 SVXKVZZRTMXNFI-UHFFFAOYSA-N 439.493 2.912 0 40 IFAB Cc1c(F)cccc1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 409154226 NBTLWEGIUUBWJG-UHFFFAOYSA-N 427.505 2.852 0 40 IFAB Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CC(=O)NC(C)C 585107440 VVONCOYZAUBKBV-XMMPIXPASA-N 448.527 2.563 0 40 IFAB COc1ccccc1C1(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 605099494 DNTXFYZKEANIKQ-UHFFFAOYSA-N 428.554 2.837 0 40 IFAB COc1ccc(CN2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)cc1 1772595282 JPYGCWIRYOPFRK-XMMPIXPASA-N 434.584 2.646 0 40 IFAB COc1cc(-c2nnc(SCC(=O)Nc3ccccc3F)n2N)cc(OC)c1OC 2399306 HVEQPIRAPBOLOJ-UHFFFAOYSA-N 433.465 2.555 0 40 IFAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cc(OC)ccc3OC)ccc12 2712233 GFHBMWCHAOJPCT-UHFFFAOYSA-N 440.452 2.599 0 40 IFAB CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCN(C)C)c(=O)cc21 4064574 YWNNDKJOVDQFLD-SFHVURJKSA-N 427.545 2.920 0 40 IFAB biogenic CCSC(SCC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)OC(C)=O 5330018 IGZAPMUTZWRKTE-DBKYECNBSA-N 438.564 2.565 0 40 IFAB CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC(C)(C)N1 6669607 DDOUYYSPIQZTQL-UHFFFAOYSA-N 425.570 2.652 0 40 IFAB O=C(O)C1CCC(CNC(=O)C2CCC(Cn3c(O)nc4ccccc4c3=O)CC2)CC1 9042102 HMVYQOABRBKVBN-UHFFFAOYSA-N 441.528 2.916 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 9050484 YMJYAXNLFWRBCS-MBAYWBQQSA-N 447.601 2.987 0 40 IFAB COc1ccc(Cn2c(C)c(C)n3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)cc1 9451297 JMUUSBCEFFPPTA-UHFFFAOYSA-N 443.507 2.871 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9584849 FLEFRSZRLROBIQ-IZHWHUGBSA-N 432.480 2.534 0 40 IFAB Cc1noc(C)c1COc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 9594155 CUJMYILZJKCRNR-QHCPKHFHSA-N 434.452 2.982 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 9765067 RNDWVAPGFMOPFT-UHFFFAOYSA-N 441.465 2.987 0 40 IFAB CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(S(C)(=O)=O)cc3)o2)c1 9815100 DEPNHYHCDMJUJC-UHFFFAOYSA-N 449.510 2.575 0 40 IFAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccccc1 9868226 AEAWUFXVXGKZPV-MRXNPFEDSA-N 438.513 2.835 0 40 IFAB COCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc23)c(=O)n1C 10047829 IMUXDJKJGKGRTF-INIZCTEOSA-N 446.511 2.502 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719781 OWCZFFQCECYKDA-LBPRGKRZSA-N 429.514 2.796 0 40 IFAB CCn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2N3)c(=O)c2ccc(C)nc21 12089281 HQXMMJBWMJVEER-DEOSSOPVSA-N 431.496 2.513 0 40 IFAB Cn1ccnc1[C@]1(O)COC2(CCN(C(=O)c3ccc(Br)s3)CC2)C1 12116241 MYHCVQHMRPDTPN-QGZVFWFLSA-N 426.336 2.527 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 12229875 VVLLETYZUUBNPN-QGZVFWFLSA-N 439.493 2.933 0 40 IFAB O=C(OCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12236739 CRSSQFOPWAOZIN-UHFFFAOYSA-N 434.495 2.781 0 40 IFAB CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)CCc4ccccc4)CC3)sc2c1 12495601 FIEYWFAIBTWZOP-UHFFFAOYSA-N 429.567 2.981 0 40 IFAB COc1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 12763835 DDAUNPMGTPWCHT-UHFFFAOYSA-N 446.569 2.780 0 40 IFAB Cn1c(=O)c2c(ncn2Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)n(C)c1=O 12776041 IXODYXUZZNPWHT-UHFFFAOYSA-N 434.887 2.533 0 40 IFAB Cc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1C 12988123 IQGLOYLHZDAIFT-OAQYLSRUSA-N 428.492 2.768 0 40 IFAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Br)o1 13987021 AKOKDKIDBBQIGB-UHFFFAOYSA-N 434.290 2.649 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 14399784 ZPWLLXYCZQBTOC-SFHVURJKSA-N 445.541 2.634 0 40 IFAB CCCCn1c(=O)c(CCC(=O)OCCN2C(=O)c3ccccc3C2=O)nc2ccccc21 16684664 ZVHNHWVKEMKQAD-UHFFFAOYSA-N 447.491 2.969 0 40 IFAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(F)c2)cc1 16955077 CQTSOJMMDHECIF-UHFFFAOYSA-N 439.472 2.675 0 40 IFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)C1 19561316 YZDFTJASBKQAQH-IAGOWNOFSA-N 433.574 2.634 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CCN(C(C)=O)C2 19707356 NZAQIFIFSKSQQX-OAQYLSRUSA-N 437.544 2.728 0 40 IFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)COc3ccccc3)nc(N(C)C)c2C1 19710345 VJEFTZRTHJKZRD-NRFANRHFSA-N 437.544 2.580 0 40 IFAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2c(C)n[nH]c2C)ncc1C(=O)N1CCCCC1 19765687 CEQIBLRYEGSACB-SFHVURJKSA-N 446.577 2.667 0 40 IFAB COC(=O)[C@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 20150619 FXGOZSQZXFQEMS-NWZZKEMCSA-N 430.551 2.863 0 40 IFAB Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)n1 23126468 RTHVSIDIGWOQGC-UHFFFAOYSA-N 448.545 2.900 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 23744595 AEISDQDYAIIODK-RTBURBONSA-N 447.626 2.789 0 40 IFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 25179415 XCMPUSZJOUILBW-IBGZPJMESA-N 438.505 2.780 0 40 IFAB CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 27663115 HXLAWEZUFXMZIE-CQSZACIVSA-N 448.566 2.805 0 40 IFAB O=C(c1ccccc1)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 29630200 NTQWFHVGXQFGIL-UHFFFAOYSA-N 437.359 2.681 0 40 IFAB COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 33633475 KYSCLMUVMGUTSM-UHFFFAOYSA-N 440.949 2.692 0 40 IFAB COc1cccc(OC)c1NC(=O)c1nc(O)c2nnn(Cc3cccc(Cl)c3)c2n1 35315558 KWZRWMYXYLSEFI-UHFFFAOYSA-N 440.847 2.898 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38848965 VAVSMDIPHIXYRF-IBGZPJMESA-N 438.933 2.625 0 40 IFAB O=C(CCS(=O)(=O)C1CCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40134426 HKXJUFQNSMGVDA-UHFFFAOYSA-N 433.496 2.933 0 40 IFAB COCc1nn2c(nnc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(F)cc1 40392213 RYXQOLOTIRAROR-GOSISDBHSA-N 425.420 2.673 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1C 44911741 LUGDSAIRPCZBDP-LJQANCHMSA-N 432.498 2.646 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44915231 JAZFEDMNWSEBPD-FQEVSTJZSA-N 445.541 2.724 0 40 IFAB CC1CCN(C(=O)COc2coc(CN3CCN(c4ccc(F)cc4)CC3)cc2=O)CC1 56949790 UEUWFVULOCNSFB-UHFFFAOYSA-N 443.519 2.738 0 40 IFAB O=C(CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)NCC(F)(F)F 59325670 BJCKGGGEPXPSST-UHFFFAOYSA-N 428.720 2.953 0 40 IFAB COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59515845 BJKOXVXZPKKVRW-UHFFFAOYSA-N 436.530 2.680 0 40 IFAB COC(=O)c1cc(Cl)c(NC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1OC 65578663 HQPFLXPIQLHRPJ-UHFFFAOYSA-N 446.891 2.957 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1 67235206 QIIQMVXTQKELEX-UHFFFAOYSA-N 432.480 2.743 0 40 IFAB COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCN3CCN(C)CC3)CCCO2)c1 72345660 ZBLWOTIVFGQZSH-SANMLTNESA-N 437.584 2.818 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C[C@H](O)c3ccccc3)nn2)CC1 77100517 NKGLUNNKVMUJNA-NRFANRHFSA-N 425.920 2.936 0 40 IFAB Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCc2ccc(OCC3CC3)nc2)CCCC1 79016258 RLHQBTRYZAVJHA-UHFFFAOYSA-N 425.533 2.580 0 40 IFAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 79070962 JFDJESVOILXRPG-SFHVURJKSA-N 440.544 2.639 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3c(F)cccc3I)CC2)o1 84195066 YNCPPIQCGSXCLN-UHFFFAOYSA-N 442.228 2.930 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1 89496684 WOGPWMPVTQPSAL-HRAATJIYSA-N 443.569 2.964 0 40 IFAB COc1ccc(CCN2C(=O)[C@H](CCC(=O)NC3CCCCCC3)N=C2O)cc1OC 95473772 NRPXZDNQZPPZPM-SFHVURJKSA-N 431.533 2.990 0 40 IFAB O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cn(-c2ccc(Br)cc2)cn1 95989427 FRAREYJYUTWDKU-UHFFFAOYSA-N 426.270 2.987 0 40 IFAB O=C(Nc1cccc(Cl)c1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccccc1)S3(=O)=O)O2 96263985 ANJWQVJUVBLRPK-DYXWJJEUSA-N 447.944 2.929 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220461234 HBMBLEIMDLTDPK-CYBMUJFWSA-N 437.468 2.885 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222956617 LGYUZWHFVAACFU-NRFANRHFSA-N 445.585 2.786 0 40 IFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-n1cnnc1 223526951 SCAZZFNGUYNAHS-LEWJYISDSA-N 430.541 2.971 0 40 IFAB Cc1cc(C)cc(OCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 224082616 MCROZXYEEWDBKL-UHFFFAOYSA-N 433.574 2.728 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 224194976 BRRVODCAPDGXLS-IBGZPJMESA-N 428.514 2.636 0 40 IFAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225164743 PCVYLMNTGAPJLW-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225461607 AAKZZAATABBXFV-QGZVFWFLSA-N 449.548 2.534 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 245229782 FNDRMHMJFIHCSU-PWSZPPJVSA-N 438.455 2.800 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 257337507 YTAVMCCXYRGBOI-ZEQRLZLVSA-N 435.568 2.726 0 40 IFAB Cc1cc(C(=O)N2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)no1 306130645 JMEMYDLXNVQWOS-CYFREDJKSA-N 448.527 2.814 0 40 IFAB O=c1c(=O)n2c(nn1Cc1cccs1)[C@]1(CCN(Cc3cccc(Cl)c3)C1)CC2 306140373 URJYPAPSZPUWLX-OAQYLSRUSA-N 428.945 2.716 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)C2CCCCC2)cc1OC 408896371 YEHKECNVPGUEOI-UHFFFAOYSA-N 447.557 2.739 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)CC[C@H](O)[C@@H]1O 585660669 VMCFTVWDHVWSOB-LCGHPSNKSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro COc1cc(C(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc(OC)c1OC 2087044436 QQLQTTJIKKSPHD-IAGOWNOFSA-N 438.528 2.508 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccncc2)cc1)c1ccccc1 802417 JURXDQRYEGNLBW-QGZVFWFLSA-N 425.510 2.816 0 40 IFAB CCCCOC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2653497 WIUNKZAIOSOMAN-UHFFFAOYSA-N 439.497 2.760 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 3294079 PPLTVTSGZISMBG-UHFFFAOYSA-N 432.542 2.644 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1=O 3461928 SPSHCMZRXJQEQZ-JOCHJYFZSA-N 427.457 2.508 0 40 IFAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Oc1ccc(Br)cc1)O[C@@H]1OC(C)(C)O[C@H]21 8917736 WLZITUKKHHQEKY-WZYWGQKZSA-N 429.263 2.751 0 40 IFAB biogenic CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)N1CCNC1=O 8985767 ZZAJEBRSWHIBKT-UHFFFAOYSA-N 434.572 2.844 0 40 IFAB Nc1nc(SCC(=O)Nc2ccc(F)cc2F)ncc1S(=O)(=O)c1ccccc1 9152072 RYXMVYJSEDNKIW-UHFFFAOYSA-N 436.465 2.901 0 40 IFAB O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)NCC(F)(F)F 9284519 NFUDGVCMCSNVHW-MDZDMXLPSA-N 442.415 2.935 0 40 IFAB Cc1ccc(C)c(COc2ccc(N3CCn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)c1 11692410 FUKRXLASYDHIBE-UHFFFAOYSA-N 431.496 2.781 0 40 IFAB CSc1nc2nc(C)c(CC(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)c(C)n2n1 12547768 UCTXUBIACSGXNP-SFHVURJKSA-N 439.520 2.784 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 12684303 HFBOWNHRXYLFKY-UHFFFAOYSA-N 444.553 2.995 0 40 IFAB O=C(c1ccccc1)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 12752301 WQLZUSUSEXJNJI-UHFFFAOYSA-N 447.582 2.521 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1C(F)(F)F 12928362 UXDMDMJBBZKWCF-UHFFFAOYSA-N 434.461 2.718 0 40 IFAB O=C(NC[C@@H]1C[C@@H]2c3ccccc3CCN2O1)C1CCN(c2ccc(Cl)nn2)CC1 12961088 RSPLRIXLWYQLRT-PKOBYXMFSA-N 427.936 2.766 0 40 IFAB CCc1ccccc1N(CC(=O)N1CCC(C(=O)OC)CC1)S(=O)(=O)c1ccccc1 13632783 MGYUTJGWYNZGAO-UHFFFAOYSA-N 444.553 2.856 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)CC1 13669354 PWHMHYOTIKSKPW-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 13681313 GYCAPDBQCZPJRQ-GFCCVEGCSA-N 440.905 2.913 0 40 IFAB CCN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13689857 JBQWXWBGSIWBCN-UHFFFAOYSA-N 445.497 2.681 0 40 IFAB Nc1nc(COC(=O)c2ccc3c(c2)NC(=O)CS3)nc(Nc2ccc(F)cc2)n1 14246778 GSCABOVDIBHJHH-UHFFFAOYSA-N 426.433 2.738 0 40 IFAB CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccccc2)CC1 14868720 XDDBBXJZOFYHCU-UHFFFAOYSA-N 442.585 2.865 0 40 IFAB CCOc1ccc(/C=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1OC 16733081 OHQPFVSNZFVSEC-XDHOZWIPSA-N 437.477 2.698 0 40 IFAB COCCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc2ccccc2c1=O 17660754 IWEYEVQHFILSIB-HXUWFJFHSA-N 439.537 2.735 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NCc1cccc(Cl)c1 19077325 PFNMSCVPZJBAOF-INIZCTEOSA-N 438.962 2.964 0 40 IFAB CCCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccco3)nc21 19525996 VJRNWIOIWOTNPM-UHFFFAOYSA-N 441.394 2.523 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)c(C)n1 19741049 OSGPRUDEALMHTF-QGZVFWFLSA-N 446.577 2.525 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)nc2c1CC(=O)N2Cc1cccc(F)c1 19743730 YDJAAIAOPMLHKK-GOSISDBHSA-N 448.502 2.616 0 40 IFAB COc1cc2c(c3oc(=O)c(CCC(=O)N4CCN(C)CC4)c(C)c13)CCC(C)(C)O2 20623213 RZVDCLFGKNQEOY-UHFFFAOYSA-N 428.529 2.920 0 40 IFAB Cc1c(C(=O)OCC(=O)N(C)Cc2ccco2)sc2nc3n(c(=O)c12)CCCCC3 21240227 FOAHLUVXYOQMNF-UHFFFAOYSA-N 429.498 2.901 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 22271294 HWTWOVSBDBJTGP-JOCHJYFZSA-N 439.537 2.686 0 40 IFAB O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc2cn[nH]c12 29385373 MXGIKJZWSVSJSY-UHFFFAOYSA-N 444.513 2.812 0 40 IFAB Cc1c(C(=O)NCCNC(=O)c2ccco2)sc2nc(Cc3ccccc3)[nH]c(=O)c12 31050776 WPUAJWCJHGUIJQ-UHFFFAOYSA-N 436.493 2.637 0 40 IFAB CNC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1 31613874 IEPYNLAORQBDAY-UHFFFAOYSA-N 445.504 2.871 0 40 IFAB CCc1sc(C(=O)NCC(=O)Nc2nc(C)c(-c3nnc(S)n3C)s2)cc1C 32760399 BQUAGOIXGCVTHE-UHFFFAOYSA-N 436.588 2.837 0 40 IFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCCc2ccccc21 34700747 XLKOIRVCQQSCRO-KCQSEKJDSA-N 426.538 2.915 0 40 IFAB CCC(C)(C)NC(=O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 35289245 GWOKVFMTTTUILE-UHFFFAOYSA-N 425.485 2.734 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccs2)c1 40159460 AUQVZZHPDJPGQH-UHFFFAOYSA-N 436.603 2.783 0 40 IFAB CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 40441891 ITYMTTQVNYAJAA-TYUFNTDUSA-N 448.531 2.857 0 40 IFAB CCN(CC)C(=O)Cc1ccc(-c2nn3c(CC(=O)N(CC)CC)nnc3s2)cc1 41126968 UOLKXNCAVQNDQW-UHFFFAOYSA-N 428.562 2.675 0 40 IFAB Cc1cccc2cc(CN(Cc3ccco3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c12 57607267 TVJZVMLIILIZGC-HXUWFJFHSA-N 434.500 2.797 0 40 IFAB COCCn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 57615810 XLHKDJGAPRATOJ-UHFFFAOYSA-N 448.527 2.680 0 40 IFAB COC(=O)C[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(Br)c1 58003269 RCOPWWCHUHBVBK-KRWDZBQOSA-N 437.334 2.818 0 40 IFAB COc1cc2ncn(CCCC(=O)O[C@@H]3CCC[C@H]3n3cccn3)c(=O)c2cc1OC 62639880 PWOAGBHEDHPIOJ-QZTJIDSGSA-N 426.473 2.727 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3cccc(Cl)c3)c(=O)cc2CO)cn1 71288750 HUWSRGHQKJQXKN-UHFFFAOYSA-N 429.860 2.615 0 40 IFAB CCCS(=O)(=O)Nc1cc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c(F)cc1F 72271978 VGTWJPBNMLEKAS-UHFFFAOYSA-N 448.469 2.704 0 40 IFAB CC(C)(C)OC(=O)N1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)C(C)(C)C1 72308685 RHXUAFJCKPQHCT-UHFFFAOYSA-N 441.576 2.862 0 40 IFAB COc1c(C)cnc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)c1C 72394442 SSMRRSYXHHRNAE-UHFFFAOYSA-N 445.585 2.896 0 40 IFAB O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 79022674 QMPFBTTWSUSXCF-INIZCTEOSA-N 426.904 2.652 0 40 IFAB CCCCCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(=O)[nH]c1=O 89953415 NQMCFMHKULRKKA-UHFFFAOYSA-N 448.314 2.819 0 40 IFAB Cc1ccccc1CNC(=O)CN1CCC(N(C)CC(=O)NCc2ccccc2C)CC1 95459847 FANVXLTWGZUVHP-UHFFFAOYSA-N 436.600 2.632 0 40 IFAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)cs1 96116383 PSPYOWITSBFIEE-SFHVURJKSA-N 434.521 3.000 0 40 IFAB biogenic Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 103319563 KCKFTXMFDLVSBW-LZJOCLMNSA-N 444.557 2.605 0 40 IFAB O=C(O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccc(F)cc1 113877966 AKVSWGOTGRWOPX-UHFFFAOYSA-N 435.214 2.710 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 220291993 SKGUOKSMYDMZMZ-CYBMUJFWSA-N 434.543 2.831 0 40 IFAB Cc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1N1CCCC1=O 222634486 OTKMWQDDPZKARO-UHFFFAOYSA-N 433.505 2.661 0 40 IFAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224035011 ULYHRLUDCYIBGU-HNNXBMFYSA-N 426.485 2.931 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccccc1CN1CCCC1 224802353 FRJIWNOLFHXYTE-SFHVURJKSA-N 445.585 2.762 0 40 IFAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)CC1 224928760 LNKLLOBPCXKJCS-UHFFFAOYSA-N 442.585 2.616 0 40 IFAB FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013536 JWVRHQSOIJIEPU-UHFFFAOYSA-N 441.435 2.547 0 40 IFAB CN(C(=O)c1cccc(N2CCCCS2(=O)=O)c1)[C@@H]1CCCN(c2ccccn2)C1 257290946 QFABRNOAJZHGER-HXUWFJFHSA-N 428.558 2.753 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1 257308912 TYSDBCQQQVZTEX-NRFANRHFSA-N 427.505 2.549 0 40 IFAB Cc1cc(C(=O)N2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)no1 306130646 JMEMYDLXNVQWOS-DVECYGJZSA-N 448.527 2.814 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c(OC)c1 408668263 VFWXFCMKULLFEL-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 408677832 RUSLKKJOQVFOLD-AWEZNQCLSA-N 426.922 2.979 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n1N 3368208 LBQWFVQGABSIAP-UHFFFAOYSA-N 426.502 2.725 0 40 IFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccncc1 3622952 LZCCUXZMZDTDNG-HNNXBMFYSA-N 448.279 2.725 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccnn1C1CCCC1 9056314 QZRIFZVUVWUGIX-UHFFFAOYSA-N 435.575 2.909 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)c1 9190125 WUKMYDOOPORTFC-YOEHRIQHSA-N 431.562 2.792 0 40 IFAB CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCO3 9604055 DFVFNXFYXFCMDL-SFHVURJKSA-N 427.482 2.760 0 40 IFAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 9632267 PGWUCBBTVCNQLA-UHFFFAOYSA-N 431.510 2.672 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1 9650552 UASBYKLTFYEKSK-UHFFFAOYSA-N 433.511 2.747 0 40 IFAB COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 9860651 WNHFMEKWPYEYQQ-RTBURBONSA-N 445.566 2.614 0 40 IFAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 10778213 UCFHKXWABIXIIH-UHFFFAOYSA-N 443.569 2.798 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccc2c(c1)OCCO2 10864227 HGRYFLYUJUFEMO-UHFFFAOYSA-N 449.554 2.758 0 40 IFAB Cc1cc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)c2ccccc2n1 12069453 CZNIWHRDAJJGRG-UHFFFAOYSA-N 431.540 2.810 0 40 IFAB COC(=O)c1c(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)sc(C(C)C)c1C 12323330 UOKPOMHASWJSQC-LBPRGKRZSA-N 439.559 2.625 0 40 IFAB O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccco1 12532200 UQIMSHIYXKZDED-FMIVXFBMSA-N 446.525 2.717 0 40 IFAB CNC(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1 12557277 BRTDSTCSBFPYPS-UHFFFAOYSA-N 429.292 2.627 0 40 IFAB Cc1nc(C(=O)NCC(=O)Nc2ccccc2Br)nn1-c1ccc(F)cc1 12777946 YVTOODOJEDOBIW-UHFFFAOYSA-N 432.253 2.846 0 40 IFAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 12878539 BZDPLFWLWRVKEF-UHFFFAOYSA-N 428.432 2.998 0 40 IFAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14092662 AXAIXLMOYYZPOT-JOCHJYFZSA-N 440.887 2.873 0 40 IFAB COc1cc(CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1OCc1ccccc1 14185085 FYNVRFGICCTZGF-UHFFFAOYSA-N 445.475 2.594 0 40 IFAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCC(C(N)=O)CC2)cc1 16690089 YFHMPRVNQPFADD-QGZVFWFLSA-N 429.546 2.744 0 40 IFAB Nc1nc(SCC(=O)Nc2cc(F)ccc2F)ncc1S(=O)(=O)c1cccs1 16842485 AWCLVTDEWJCUJO-UHFFFAOYSA-N 442.494 2.962 0 40 IFAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 18995248 WGPNERQCZOVUHG-AWEZNQCLSA-N 449.463 2.963 0 40 IFAB NC(=O)C1(N2CCCCC2)CCN(c2ncc(-c3ccncc3)c([C@H]3CCCO3)n2)CC1 19405696 VWOHTFCQVFQPFG-HXUWFJFHSA-N 436.560 2.700 0 40 IFAB CCOc1cc(CCC(=O)N2CCC[C@]3(CN(C(C)=O)Cc4ccccc4O3)C2)on1 19532346 RNVDPWVCTWWBKT-HSZRJFAPSA-N 427.501 2.808 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)c4ccc(N(C)C)cc4)CC3)c(=O)c2c1C 19561392 QUAVMVFPPGLWRF-UHFFFAOYSA-N 440.569 2.808 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@H]2CCC(=O)N2)C1 19579716 GOHZIRHDZIUYBZ-PXDATVDWSA-N 437.515 2.621 0 40 IFAB NC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)COc2cccc3cccnc23)CCO1 19703089 LQIJMGLRAALADQ-QGZVFWFLSA-N 448.504 2.922 0 40 IFAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCCN2CC1CC1 19706271 DVXXLVKWHXSNGD-GOSISDBHSA-N 430.578 2.597 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1cccc3cccnc13)C2 19708877 GBQVYFYCVLUHQZ-SFHVURJKSA-N 444.539 2.991 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CC1)C(=O)C2 19739598 TZJAWQNDMXNXKA-LJQANCHMSA-N 449.555 2.767 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)Cn3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743728 FKNNYZKPYNXHDM-FQEVSTJZSA-N 444.539 2.520 0 40 IFAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)nc2c1CCNC2 19754875 NKZDSFISLDWETL-SFHVURJKSA-N 445.589 2.705 0 40 IFAB Cn1nc(C(C)(C)C)cc1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 20013314 PBMFZSRYGFNQGB-UHFFFAOYSA-N 429.546 2.517 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCCOc2ccccc2)c1 21319059 GHRPCXMRIZBZTL-UHFFFAOYSA-N 431.558 2.736 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2ccsc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 23819435 XMYPYXPMWSAGIV-LJQANCHMSA-N 430.482 2.714 0 40 IFAB CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 32865911 OKOUDRIZMRXKJA-KRWDZBQOSA-N 433.574 2.683 0 40 IFAB Cc1ccc2c(c1)S[C@@H](C(=O)OCc1cccc(S(=O)(=O)N3CCOCC3)c1)C2 32879594 XGEKROACWRICFL-HXUWFJFHSA-N 433.551 2.776 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C 36386924 UQPHIMSYABJOHJ-UHFFFAOYSA-N 443.569 2.512 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3scnc3C)c(=O)n2[C@H]1c1ccccc1 36612237 JBMBMDODNYFJFY-BXBHGGAKSA-N 425.535 2.563 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)NCCc1csc2nc(-c3ccccc3F)nn12 38668724 LSFMXSUTAHXSFQ-UHFFFAOYSA-N 437.456 2.864 0 40 IFAB CC(=O)c1cccc(OC[C@H](O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 40050650 VCNFEASNCDQVJS-PKOBYXMFSA-N 442.537 2.656 0 40 IFAB Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC5CCCCC5)nc34)n2)c1 57494702 GVTVRDPMPZVHEH-UHFFFAOYSA-N 432.484 2.970 0 40 IFAB C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCCCC1)c1ccc2c(c1)CC(=O)N2 58156424 GBAMHWZHPWIYFQ-CYBMUJFWSA-N 433.555 2.908 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 60111218 QJFRLYVFZCOIMT-GOSISDBHSA-N 447.601 2.751 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1nnc(CCc2ccccc2)s1 62001393 BGHGFEDFFONNAD-MPGHIAIKSA-N 431.587 2.988 0 40 IFAB biogenic COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204949 XPHIFVPZIAGTMR-QFIPXVFZSA-N 438.503 2.737 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 101169723 QULHZFYIYZOCNT-ZWKOTPCHSA-N 445.838 2.810 0 40 IFAB COc1cccc(N(CCCC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 222597307 LUBICQLWGJMWEQ-UHFFFAOYSA-N 433.574 2.884 0 40 IFAB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)CCC2 223232244 BMVHAJTWYFSWCY-QGZVFWFLSA-N 428.554 2.828 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 257234755 GUYBPSWHPUGHFN-IBGZPJMESA-N 441.513 2.694 0 40 IFAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CN(C(=O)Cn3nc(C)ccc3=O)CCO2)n1 257345082 ZZWYYTBCRSETHH-JOCHJYFZSA-N 436.487 2.585 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 408628669 ZTEGAZBCMJSSGH-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB Cc1ccc(CN2C(=O)CC[C@@H]2c2nc(-c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)cc1 570725997 YLOQFYWXEOQUPP-KOSHJBKYSA-N 445.479 2.963 0 40 IFAB CN(C)S(=O)(=O)N1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 575615088 FKBCAKFDSSZBAI-UHFFFAOYSA-N 427.998 2.786 0 40 IFAB CC(=O)N1CCCCCCCN(C(=O)CN2CCC(C(N)=O)CC2)Cc2ccccc21 643567297 BWMMGRSRJSJBKS-UHFFFAOYSA-N 428.577 2.530 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccnn3C)cc2)cc1N1CCCC1=O 1889276378 CSAPQRWUCNDAIU-UHFFFAOYSA-N 445.523 2.820 0 40 IFAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(Cc2ccccc2)C1=S 1421200 CZFPONVBPBSHBI-SFHVURJKSA-N 425.510 2.820 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 2403113 OJSCANUVCDCQSX-GEYWLOKFSA-N 425.847 2.910 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc2c1CC[C@H](C)C2 3326991 WXJYUCQYMSFPIO-LBPRGKRZSA-N 433.530 2.853 0 40 IFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 3522792 FJCIGRJQTHTZKQ-CYBMUJFWSA-N 428.489 2.910 0 40 IFAB C[C@@H]1CN(C(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)C[C@@H](C)O1 6600292 UFXIZVWOEISXKD-BZUAXINKSA-N 425.558 2.852 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1ccc2c(c1)OCO2 8720652 UXTSLPCJNUYOII-ZDUSSCGKSA-N 435.527 2.714 0 40 IFAB O=C(NC[C@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O 8767011 UDJZEDOQUIYFFJ-IIBYNOLFSA-N 432.480 2.662 0 40 IFAB Cc1nc2ccc(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)cc2nc1C 9584721 KKCHINWTBSQRBR-UHFFFAOYSA-N 436.424 2.523 0 40 IFAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1OC 9599900 RGNHGRYAOQVMQZ-UHFFFAOYSA-N 448.526 2.738 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 9712228 AFCOXOAQGYGMIJ-UHFFFAOYSA-N 429.527 2.523 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2F)cc1 9744987 NCANMSNYXKDTRV-QGZVFWFLSA-N 447.532 2.822 0 40 IFAB Cc1cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1CCCN(C)C 10103740 SRWYDMDDXFAHQG-UHFFFAOYSA-N 444.539 2.611 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 10213430 LJYBNPVMCIEQQV-INIZCTEOSA-N 448.541 2.792 0 40 IFAB CC1CCN(C(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 11488230 WQWZDSBOCTYZAO-YJBOKZPZSA-N 444.981 2.833 0 40 IFAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)CC2=O)c(OC)c1 11834786 QLKKGIJORADTNE-QBPKDAKJSA-N 432.517 2.778 0 40 IFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc1 11914762 PLECXXNZQXENIH-UHFFFAOYSA-N 438.509 2.923 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 11997529 YPHMBCZTRRLWKM-UHFFFAOYSA-N 435.310 2.861 0 40 IFAB O=C(O)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1CCN1CCOCC1 12481209 VYMRAZQEOMWNTK-IRXDYDNUSA-N 428.451 2.981 0 40 IFAB biogenic,in-vitro C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1 13038238 KQZYZZXGUMGHMG-LJQANCHMSA-N 441.597 2.749 0 40 IFAB CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 13085212 RHVQIRBNZOWFEP-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 15521771 UZOOITTXBNBUIO-NRFANRHFSA-N 430.574 2.975 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 15741204 KERVPYAPUKRBAU-UHFFFAOYSA-N 445.541 2.862 0 40 IFAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 16039030 YERMDPLMMXQBQO-PLACYPQZSA-N 445.475 2.909 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnnn2Cc2ccc(OC)cc2)c1C 16369073 CADHAHBZNMONTM-CYBMUJFWSA-N 429.502 2.825 0 40 IFAB COC(=O)c1cc(-c2cccc(NC(C)=O)c2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850586 DYPVXRZSVUFKAE-INIZCTEOSA-N 442.497 2.511 0 40 IFAB O=C(NCCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 17297589 HIUWOHFIOJIKQU-UHFFFAOYSA-N 443.352 2.987 0 40 IFAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCCC2)CC3)cn1 19214895 VNGMJZZYCFGFCQ-NRFANRHFSA-N 449.555 2.916 0 40 IFAB CCN1C[C@H](C(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19526878 CCTCIGOKEHPRPQ-HOYKHHGWSA-N 439.581 2.920 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2cnccn2)CCO1 19580829 GUUUGWCNQDAFHA-RUZDIDTESA-N 448.498 2.825 0 40 IFAB CN1C[C@@H](C(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19587217 OVOAXMCOWGIYDN-GAJHUEQPSA-N 425.554 2.530 0 40 IFAB CCN(CC)C(=O)CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697719 RGKJWOCRXGSURH-SFHVURJKSA-N 445.585 2.615 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)nc2c1CN(C(C)=O)CC2 19710407 RVWBQWMCAUNWMK-NRFANRHFSA-N 442.608 2.597 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1CCCN2Cc1ccccn1 19752496 NBMSMABJWKIHSS-OAQYLSRUSA-N 448.571 2.809 0 40 IFAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 20111277 LVIFPYAXBURNFO-MRXNPFEDSA-N 448.541 2.606 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccccc1C 20328454 SGJQPPIYCFOBHU-HXUWFJFHSA-N 428.510 2.948 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc(Cl)c1 20801659 YLQHYDSOFYPQGU-PMACEKPBSA-N 440.931 2.868 0 40 IFAB CCCCn1c(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)nc2cc(S(N)(=O)=O)ccc21 21281188 ZEZUAKYBQGHLKU-XYPWUTKMSA-N 447.557 2.922 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22233302 YYAPKPUEWABBLS-OAHLLOKOSA-N 440.949 2.836 0 40 IFAB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 23508601 QHDPIHOCWYFNLR-RDELFYGPSA-N 438.524 2.993 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1N1CCOCC1 24191646 KJZURECWHJLOMF-QHCPKHFHSA-N 434.540 2.710 0 40 IFAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C)c2ccccc2)c1 26980120 YPMIFEKPMJDDCO-CYBMUJFWSA-N 441.347 2.865 0 40 IFAB O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(F)cc1Cl 28058975 MAERUIZDVDYNSQ-UHFFFAOYSA-N 438.955 2.804 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)n1 57710322 UTWVZMVBPOEJKA-VSOVRNOCSA-N 447.532 2.841 0 40 IFAB COC(=O)COc1ccc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)c(C)c1 58008895 YQHXDAFYTBWXNT-NYUWMOHMSA-N 426.469 2.712 0 40 IFAB CCC(CC)CN(CC(=O)OC)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 58209049 MCCYYAFPHBMJOC-DEOSSOPVSA-N 443.544 2.813 0 40 IFAB O=C(CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCO2)Nc1ccc2c(c1)OCO2 58268354 LRJQXGPIEKWYNU-UHFFFAOYSA-N 425.846 2.741 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)NCc1ccccc1Cl 72325851 JAUSNIADARVZKG-JOCHJYFZSA-N 426.904 2.521 0 40 IFAB CCOc1cc(CCC(=O)N2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)on1 72394250 ZHWRYZVLRKRDJA-CYBMUJFWSA-N 441.937 2.864 0 40 IFAB COc1ccc(CNC(=O)Cn2cc(OC)c(=O)cc2CN2CCc3ccccc3C2)cc1 95476248 DILVBSMXLPVHGM-UHFFFAOYSA-N 447.535 2.740 0 40 IFAB CC(C)n1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2c1=O 96115709 NMPGKMYVLWJGDI-LNLFQRSKSA-N 429.546 2.642 0 40 IFAB biogenic Cc1nc2c(c(NC[C@H]3CCCO3)n1)[C@@H]1CC[C@@H](C2)N1S(=O)(=O)c1cccc(F)c1 100223025 RLMYOHIUOQRSMB-FCEWJHQRSA-N 432.521 2.966 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 101228629 NIYLGXYPKDADMD-AYJQOQHFSA-N 447.462 2.970 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222482764 HBBGAKARYABZHJ-IBGZPJMESA-N 445.585 2.559 0 40 IFAB COc1cccc(N([C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 260815112 RVJMPWINSZCZKK-GOSISDBHSA-N 446.569 2.714 0 40 IFAB Cc1ncsc1CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 306132166 LAPXEBKOFGIQSF-MSOLQXFVSA-N 442.566 2.683 0 40 IFAB Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(C(=O)Cc4ccccc4C)CC3)O2)cc1 306136722 QAZQGFVJEKWYKX-XMMPIXPASA-N 449.595 2.854 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)CC2)c1C 408625695 WUIVIKNTDXTPRK-UHFFFAOYSA-N 433.549 2.553 0 40 IFAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@]12CCCN(Cc1cccnc1)C2=O 585106437 GULBABKHXIPBMX-YADARESESA-N 447.543 2.631 0 40 IFAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 604382289 NJLSXEJEQOWJRM-MCEIDBOGSA-N 426.467 2.507 0 40 IFAB biogenic,in-vitro COc1ccc(C(=O)[C@H](NCCC(=O)Nc2nccs2)c2oc(C)cc(=O)c2O)cc1 1547138569 CRSGJHFAFXVBEG-KRWDZBQOSA-N 443.481 2.661 0 40 IFAB biogenic COc1ccc(N[C@@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)cc1 2056224283 UKYVWACMOBXKKT-INIZCTEOSA-N 448.566 2.827 0 40 IFAB COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 871753 OKICGNRWZRGOFU-UHFFFAOYSA-N 434.514 2.530 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3278996 MNEUQHOOHFMSNF-UHFFFAOYSA-N 440.481 2.963 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 3290236 IPYFAWZZMPSFKT-UHFFFAOYSA-N 428.963 2.652 0 40 IFAB Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c3ccccc3n2)o1 3362566 FPTQQAUGYOFOLF-OAHLLOKOSA-N 442.493 2.606 0 40 IFAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 8627050 VXISMRXAPRWJRY-INIZCTEOSA-N 434.564 2.757 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 8691186 BDXWZQDDAWXFHA-SCTDSRPQSA-N 442.512 2.933 0 40 IFAB CC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 9156906 CNSOYPOSFLDQEK-UHFFFAOYSA-N 445.479 2.820 0 40 IFAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9243217 ZVVFSAHWGGKREE-KRWDZBQOSA-N 447.514 2.783 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)c(C)c1 9288442 HCAAMYOYKYQTBA-GOSISDBHSA-N 429.542 2.750 0 40 IFAB O=C(NCCCn1ccnc1)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 9518928 VWTPHXRBRUULNV-UHFFFAOYSA-N 435.528 2.630 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 9985836 KLSFQGVYZFHXFF-UHFFFAOYSA-N 439.896 2.617 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1cccc(C(F)(F)F)c1 10111172 RIQBHMVNNAYFQF-UHFFFAOYSA-N 435.512 2.854 0 40 IFAB COc1cccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2OC)c1 10299948 PQVODBQLYSTOEU-IBGZPJMESA-N 448.541 2.503 0 40 IFAB O=S(=O)(/C=C/c1ccccc1)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 11694562 GNJCPKQYJUQDFG-SDNWHVSQSA-N 439.472 2.900 0 40 IFAB CCn1c(CN2CCC(C(=O)OC)CC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12547567 UCCSBGZSZMXZRN-UHFFFAOYSA-N 448.589 2.616 0 40 IFAB COCCNC(=O)[C@H](c1ccccc1F)N(C(=O)C(=O)NC1CCCC1)C1CCCCC1 12640758 NOALBDAZZSVZKD-NRFANRHFSA-N 447.551 2.850 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)cc1 12760638 SWHZKXPEPSBPAH-KRWDZBQOSA-N 427.526 2.771 0 40 IFAB CC(C)[C@H](NC(=O)CN1CCC(C(=O)N2CCCCC2)CC1)c1ccc2c(c1)OCCO2 12809921 HLWKYUXJTYNYAK-DEOSSOPVSA-N 443.588 2.996 0 40 IFAB CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 12944280 ABNYUXPCNJFJPF-UHFFFAOYSA-N 447.523 2.707 0 40 IFAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 12971539 HODMURLLOGBSAI-INIZCTEOSA-N 430.526 2.951 0 40 IFAB CCOc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 13036808 ZGCPAXXUQBSNEU-UHFFFAOYSA-N 443.511 2.501 0 40 IFAB O=C(CCc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 13164057 XERQBKYRGVDZCJ-LJQANCHMSA-N 437.521 2.740 0 40 IFAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)CN3Cc4ccccc4C3=O)CC2)on1 13226288 UCRBOADDRDZWJR-UHFFFAOYSA-N 433.468 2.508 0 40 IFAB COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1OC 13306886 ZVSQTJIUFQQDJD-GDZNZVCISA-N 430.404 2.869 0 40 IFAB Cn1c(=O)n(C)c2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc21 13682516 IJAMBDDJIMGIMD-UHFFFAOYSA-N 436.493 2.930 0 40 IFAB O=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14938369 XHZDBHQUVBHSCY-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3C(C(=O)C(c4ccccc4)c4ccccc4)=NN[C@H]3C2=O)c1 16034549 JFMIAKKZSCAQJI-FYYLOGMGSA-N 439.471 2.914 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCCc3ccccc3)CC1)O2 19219034 IUCKHOXNRPRKKY-SIBVEZHUSA-N 449.551 2.616 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19503301 WYOLSFJUTGPWBE-LJQANCHMSA-N 437.569 2.946 0 40 IFAB Cc1nn(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCCC3)n2)c2ccccc2)c(C)c1C 19556575 GSXGZDBWOTXJPL-NRFANRHFSA-N 434.544 2.592 0 40 IFAB Cc1noc2nc(C3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)CC3)cc(C(F)(F)F)c12 19564588 DKXYSMLLTQTKIR-GFCCVEGCSA-N 431.436 2.691 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694132 BSIFAOWQUIXHQB-MRXNPFEDSA-N 444.536 2.651 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3csnn3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738968 LIPUPZHZQZGAAG-QGZVFWFLSA-N 448.552 2.788 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccc3ncccc3c2)ncc1C(=O)N1CCOCC1 19755756 PCVLQDJRJDVKBP-OAQYLSRUSA-N 431.496 2.783 0 40 IFAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)CN2Cc3ccccc3C2=O)nc1C 19765517 DTPVOFTVUUDZJD-NRFANRHFSA-N 449.555 2.977 0 40 IFAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)C1=O 19797476 MLCVYSDGKHXXII-UHFFFAOYSA-N 425.510 2.843 0 40 IFAB CCN1CCN([C@H](c2cc3cc(C)ccc3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1 19826087 JUYILWHMBYOTDF-HSZRJFAPSA-N 443.555 2.598 0 40 IFAB CCc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 19938166 XEDOLGTTYVSGPT-JXMROGBWSA-N 441.597 2.873 0 40 IFAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(=O)(=O)N(C)C)c1 20244788 FOQIQSHXJQDIKY-UHFFFAOYSA-N 446.573 2.693 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 20308071 UHZBYTRTPJAJCO-HXUWFJFHSA-N 426.419 2.949 0 40 IFAB CCN1CCN(C(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)CC1 20759992 CJXPWFFDORIGQB-UHFFFAOYSA-N 428.529 2.920 0 40 IFAB biogenic C[C@@H](NC(=O)CSc1nnc(C2CC2)n1CCC(N)=O)c1ccc2c(c1)CCCC2 22407404 NYHOGVJJDNXZDT-CQSZACIVSA-N 427.574 2.879 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)CC1 24777463 CEVRAPJOBYVFMS-UHFFFAOYSA-N 431.558 2.647 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 32808567 CZOORTRYKOWXOS-OAQYLSRUSA-N 428.510 2.590 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 32814219 IQNAUHPJPYTZFH-UHFFFAOYSA-N 428.963 2.734 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 32910892 BPLGYGJBUYOAPA-CYBMUJFWSA-N 426.425 2.541 0 40 IFAB CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCCN12 33806971 RMUNWQPYCXCXOC-ZUVQJFRASA-N 443.503 2.735 0 40 IFAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)no1 40013524 ROSSPEYBSGKFPI-UHFFFAOYSA-N 434.499 2.556 0 40 IFAB O=S(=O)(c1ccc(SCc2nccn2Cc2ccccc2)nc1)N1CCOCC1 40067312 LLNJRVWIQFTALO-UHFFFAOYSA-N 430.555 2.640 0 40 IFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1cccc(F)c1 67896729 IXIPICUVLVLENQ-FYYLOGMGSA-N 435.455 2.934 0 40 IFAB biogenic,in-vitro CCS(=O)(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)c3ccccc3)o2)CC1 72344877 AVEZCIZUFYPTRV-SFHVURJKSA-N 432.546 2.966 0 40 IFAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cn(CC(=O)C(C)(C)C)nn3)CC2)cc1F 78903083 IDGRMBGRTVIBLQ-UHFFFAOYSA-N 443.523 2.509 0 40 IFAB COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(CN3CCCCCC3)n2C)CC1 79489053 IOKVREVXTILJBP-UHFFFAOYSA-N 440.588 2.798 0 40 IFAB COc1ccc(CN2C[C@H]3CCN(C(=O)NCc4ccccc4)CC[C@H]3S2(=O)=O)cc1 96263687 MBXMTEBNUCMXLN-IFMALSPDSA-N 443.569 2.831 0 40 IFAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]16CCN(Cc1ccccc1)CC[C@@]56[C@@H]2[C@@H]43 104287719 CKKYAHQBURBLEC-JFRXSSJCSA-N 438.531 2.685 0 40 IFAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 206688398 UFPBPDRTYSNJQD-FQEVSTJZSA-N 439.493 2.805 0 40 IFAB COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCN(C)CC2)cc1 223427754 ASNAZHIVFMVECY-UHFFFAOYSA-N 447.557 2.813 0 40 IFAB CCOC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 223956066 ZGKUPGDPLLCIIH-UHFFFAOYSA-N 432.483 2.768 0 40 IFAB O=C(NCCOc1ccccc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224384602 RXIYIUCQWPODIQ-NRFANRHFSA-N 430.570 2.856 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408657302 JJBPTBIMRDIXGJ-WIOUJZMWSA-N 430.888 2.653 0 40 IFAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccn2)cc1 408710360 ZFQIBBXJUVLEEB-UHFFFAOYSA-N 430.508 2.871 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)NC1=S 409214188 WLCAWTJGVSZXOO-SXGWCWSVSA-N 430.457 2.644 0 40 IFAB COc1ccc(Br)c(C(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c1 575608228 XBGLVUULBLHTGA-UHFFFAOYSA-N 449.353 2.629 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nc(OC)n1 671711 MRBBXCDEGQNKNR-UHFFFAOYSA-N 429.458 2.939 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl 810425 RCHVCVBUCFGQEE-UHFFFAOYSA-N 431.297 2.805 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2134065 DKARJKOEVWXOJB-BBWFWOEESA-N 448.523 2.871 0 40 IFAB biogenic CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 2138542 KLOXZHXCWFWBAU-LMMUWCHVSA-N 443.503 2.937 0 40 IFAB biogenic CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCCCCC3)cc2c1 4537622 ALIAGIPXKABJHF-HXUWFJFHSA-N 426.521 2.525 0 40 IFAB COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)c(=O)[nH]c2c1 6148952 BJZOKVJGTYDAHH-NQIIRXRSSA-N 438.532 2.524 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 8724510 LRLXPRDKLZVGOU-ZIAGYGMSSA-N 447.942 2.752 0 40 IFAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCOC)c1cccs1 8772934 AXSMYWSHZIIPON-FQEVSTJZSA-N 429.546 2.625 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 9373612 OWRJOOFCPIUUBR-UHFFFAOYSA-N 440.543 2.598 0 40 IFAB Cc1cc(C2=NN=C(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1C 9491807 OOGTWHZBEYMNMO-UHFFFAOYSA-N 447.586 2.582 0 40 IFAB C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3C)c2C(N)=O)C1 9507033 IRMMSGMCAHPRAM-NSHDSACASA-N 442.570 2.893 0 40 IFAB NC(=O)c1ccc(-c2nnn(CC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)n2)cc1 9580305 FAERCWMRTIFBSH-LJQANCHMSA-N 436.472 2.545 0 40 IFAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1ccc2c(c1)OCO2 10166356 COECRMKOIIZSSE-UHFFFAOYSA-N 434.448 2.944 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12086007 KWHQIRAETNQNAD-VXQVSLNISA-N 438.572 2.978 0 40 IFAB CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCC3)cc2OCc2ccc(F)cc2)C1=O 12389060 UFVLNLQOVIAHPL-UHFFFAOYSA-N 447.488 2.588 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 12790348 BPQPXLYVZCTZIP-SFHVURJKSA-N 439.541 2.534 0 40 IFAB CCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccc3c(c2)OCCO3)cc1OCC 12896234 NQDCOBHNSBUASD-UHFFFAOYSA-N 428.485 2.895 0 40 IFAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)N(CC(=O)NC(C)(C)C)Cc3cccs3)N2C=C1 13083010 HYYJSXYLAMXTRX-QFIPXVFZSA-N 428.558 2.855 0 40 IFAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)ccc1Br 13345636 ATKVLSLIZJAAIR-UHFFFAOYSA-N 441.303 2.785 0 40 IFAB COc1ccc(CC(=O)N2CCCc3cc(C)ccc32)cc1S(=O)(=O)N1CCOCC1 14423313 LNQTYRFEIOTLDY-UHFFFAOYSA-N 444.553 2.546 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)c1 14791392 LUIRGRRWBQZTIC-OKILXGFUSA-N 427.482 2.717 0 40 IFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 17099027 WXCCJTKEOOTJCM-UXPWSPDFSA-N 434.558 2.700 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)c2sccn12 19240739 UXARUIVXWKRQLN-MRXNPFEDSA-N 432.571 2.690 0 40 IFAB CC(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699397 QAEBTFYVTSLKBV-HXUWFJFHSA-N 426.561 2.610 0 40 IFAB CC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(C(C)C)cc3)CC1)C2=O 19699534 JCQWJWMRMZQAKN-UHFFFAOYSA-N 426.561 2.707 0 40 IFAB Cc1ncsc1C(=O)N1CC[C@@H](c2c(C(=O)NCCN(C)C)sc3ncccc23)C1 19702244 URGGWQUJZLSMQW-CQSZACIVSA-N 443.598 2.982 0 40 IFAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2ncccc2C(=O)NCc2ccccc2)C1 19709382 WIXJEHRJHWXXOQ-IBGZPJMESA-N 430.574 2.778 0 40 IFAB Cc1cc(NC(=O)Cn2cccc(C(=O)N(C)Cc3ccc4ncccc4c3)c2=O)no1 19749934 IHBYZVQKOIUTDX-UHFFFAOYSA-N 431.452 2.604 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2OC)cc1Cl 20013955 DFHIRNYOSMZRMT-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB O=C(NCCCN1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 20108137 NWPDMMMQDXNKIW-UHFFFAOYSA-N 439.597 2.750 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(F)c2)N1CCN1CCOCC1 20308074 XXPVEFJOZPRZCS-FQEVSTJZSA-N 426.419 2.949 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)cc(OC)c1)C(=O)OC 20761403 QATGDIKBGJSNQD-MJWYBRSISA-N 430.505 2.672 0 40 IFAB biogenic O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 21178613 MINVTSRXKLIWGM-UHFFFAOYSA-N 446.497 2.551 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 22696522 SMYBYRJMOLMYAJ-UHFFFAOYSA-N 441.597 2.740 0 40 IFAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 22766306 LGJREAVIIAVDNL-QGZVFWFLSA-N 440.491 2.810 0 40 IFAB CCc1ccc(OCCOC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22916649 SQILLQOPDSGXSC-QFIPXVFZSA-N 442.556 2.552 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2SC)N2CCOCC2)cc1 23107454 SPODYUBPVVPYPT-LJQANCHMSA-N 429.542 2.545 0 40 IFAB O=C(O)CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC4CCCC4)cc3)cc21 23144876 CXDVRCTWFCNLQF-UHFFFAOYSA-N 446.481 2.619 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 24980710 IPFFBMKANSLYFR-XHDPSFHLSA-N 433.313 2.694 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CCCCCC3)CC2)c1 25396171 UXNSBULIDFBGDH-UHFFFAOYSA-N 449.617 2.756 0 40 IFAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@H](C)C2 32748138 RRMLMNFMVQUANM-HZPDHXFCSA-N 432.542 2.700 0 40 IFAB O=C(CCn1cnc2ccccc21)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 32781090 APYUZXDSPVMPPC-UHFFFAOYSA-N 426.420 2.906 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H]1C 35264478 BTAPIGPJDGLGEM-MDZRGWNJSA-N 427.998 2.587 0 40 IFAB O=C(c1ccco1)N1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 35414177 ZFCSVSAVBRUHNQ-IBGZPJMESA-N 439.512 2.562 0 40 IFAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(C(=O)[C@H]2CCCO2)CC1 40104236 HHIPITUAMHKIEQ-QGZVFWFLSA-N 437.422 2.746 0 40 IFAB O=C1CN(c2ccc(NC(=O)NCc3cccnc3Oc3cccc(F)c3)cn2)CCN1 48247866 YUHZSORBKKLYCV-UHFFFAOYSA-N 436.447 2.666 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 67208729 CSSGMVUHXCPYDA-UHFFFAOYSA-N 445.479 2.936 0 40 IFAB Cc1oc(C2CCN([C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 72304921 BJHWLLRTXKBNFS-UZLBHIALSA-N 445.585 2.863 0 40 IFAB CCOc1cc(CCC(=O)N2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)on1 72394249 ZHWRYZVLRKRDJA-ZDUSSCGKSA-N 441.937 2.864 0 40 IFAB CCOc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 78877641 XHVXGKLHCVISMG-HOTGVXAUSA-N 438.571 2.884 0 40 IFAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 78933514 OBZRYFWZUZPJEQ-XLIONFOSSA-N 446.569 2.856 0 40 IFAB COc1ccc(S(=O)(=O)N2CC[C@H](OCc3ccccn3)C2)cc1Br 83952958 CCJQCOMPSQQCSD-AWEZNQCLSA-N 427.320 2.833 0 40 IFAB COC(=O)c1nc(NC(=O)Cc2ccc(-n3cnnn3)cc2)sc1Cc1ccccc1 96118245 LXSISAUCAWRWGT-UHFFFAOYSA-N 434.481 2.677 0 40 IFAB CN(c1ccc(OCC(=O)NCCOc2cccc3ccccc23)cc1)S(C)(=O)=O 223573922 VFOLTVZHXZXDEY-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB C[C@@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1cccc(F)c1)S(C)(=O)=O 224630871 NIGZYJYIGBYSKF-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224645261 HLHNSGIZEBRBFL-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225476330 FBSALXMKPUEDRR-SFHVURJKSA-N 446.569 2.988 0 40 IFAB O=S(=O)(Cc1cc(F)ccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743699 QCRMHJZJVQPGRE-UHFFFAOYSA-N 447.511 2.538 0 40 IFAB Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCOCC3)n2)o1 225915184 PPXPBQRCPDALCV-UHFFFAOYSA-N 443.558 2.642 0 40 IFAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CN4C(=O)CCC4=O)CC3)C[C@@H]21 257339173 ZAMOFBTUORDHRE-HTAPYJJXSA-N 426.513 2.693 0 40 IFAB COc1ccc(N2C[C@H]3C[C@]3(C(=O)Nc3ccc(OC4CSC4)cc3)S2(=O)=O)cc1 260826447 APOWCOANOBJNHV-SZNDQCEHSA-N 446.550 2.737 0 40 IFAB c1ccc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCOCC5)cccc4n3)C2)nc1 306128088 GPUGOCUXLDLCFV-QHCPKHFHSA-N 432.572 2.835 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 408658792 RJMKYDIEDQQGRD-NVXWUHKLSA-N 426.469 2.795 0 40 IFAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1I 408816925 UUDPMQUKAHUWOK-GHXNOFRVSA-N 447.250 2.899 0 40 IFAB C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1nc(COc2ccccc2)n[nH]1 502179172 TYWVWAFSGNGXGY-OAHLLOKOSA-N 436.520 2.919 0 40 IFAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)cc1 537369971 FFOHWSQNYBUWIV-HXUWFJFHSA-N 440.475 2.940 0 40 IFAB Cc1cc(C)cc(-n2nc(NC(=O)N3CCN(c4nccn5cnnc45)[C@H](C)C3)cc2C)c1 540831399 UVFHHWBNMQAEOY-GOSISDBHSA-N 445.531 2.978 0 40 IFAB O=C([C@@H]1CCCN1C(=O)Cc1ccccc1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 548109315 VWNFIACWJAYPBV-IBGZPJMESA-N 446.473 2.983 0 40 IFAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(c3ccccc3)CC2)C1 585290645 RYQLFYRNQGMZGC-VWNXMTODSA-N 428.960 2.696 0 40 IFAB O=C1NC(=O)C2(CCC(C(=O)Nc3ccc(CC(=O)N4CCc5ccccc54)cc3)CC2)N1 596966317 RFVPSMRSLNUUIV-UHFFFAOYSA-N 446.507 2.525 0 40 IFAB COc1cccc(-c2n[nH]cc2CNc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 671722239 DOZQOGSWTYVDKB-UHFFFAOYSA-N 441.557 2.634 0 40 IFAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775966702 UXEHDHFFFRIAMW-MRXNPFEDSA-N 439.493 2.923 0 40 IFAB COC(=O)c1ccc(-c2cc(-c3ccc(OC)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 3277059 XKUSHLHHZDGXAX-UHFFFAOYSA-N 431.448 2.761 0 40 IFAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 3554415 DBOVDDBYSUDFAU-UHFFFAOYSA-N 444.553 2.873 0 40 IFAB O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8719342 HFWXUHPBIYHPMH-IZZDOVSWSA-N 436.331 2.603 0 40 IFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)ccc12 8877198 BUCJKBMIQIMZCO-AEFFLSMTSA-N 434.492 2.850 0 40 IFAB biogenic Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCN1c1cccc(Cl)c1 9124673 DFHUSYFIBMCXDJ-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1 9302368 GRQKVNGXZNKXDG-UHFFFAOYSA-N 446.558 2.558 0 40 IFAB COCCNC(=O)CSc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CC1 9349031 GFHNKZNLGSXECD-UHFFFAOYSA-N 427.526 2.686 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 9579018 UATQOIKFBBCYNK-LJQANCHMSA-N 444.553 2.702 0 40 IFAB O=C(CSc1nnc(NC(=O)Cc2ccccc2)s1)NCc1ccc2c(c1)OCO2 9600057 LSXWAFWRWDZXJF-UHFFFAOYSA-N 442.522 2.857 0 40 IFAB COc1ccc(CNC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 9659256 CQMJTFJUIMCDGD-UHFFFAOYSA-N 425.466 2.992 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)c(F)c3)C2=O)cc1Cl 9674962 FUCVEDWQHNSZPN-MSOLQXFVSA-N 445.838 2.728 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 9886559 ASLLBELIYOPKRG-KRWDZBQOSA-N 435.977 2.972 0 40 IFAB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)c3cccnc3)cc21 9975314 IVGMLXMATBDFPV-UHFFFAOYSA-N 442.523 2.851 0 40 IFAB Cc1cnc2c(c1SCC(=O)Nc1ccc(Cl)c(Cl)c1)c(=O)n(C)c(=O)n2C 10216526 JGTWCXQWPHSVSV-UHFFFAOYSA-N 439.324 2.978 0 40 IFAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 10342402 MCORISNJQGEWRK-UHFFFAOYSA-N 430.511 2.703 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 12086689 JLWFUXSIFTWIKN-NXMSCROESA-N 427.545 2.692 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(N(C)C)ncc2-c2onc(C)c2C)cc1F 12182320 IEXUBXVVEWGYIN-UHFFFAOYSA-N 449.508 2.783 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 12228344 AADGPDYUOLGZMG-UHFFFAOYSA-N 434.431 2.627 0 40 IFAB CCOC(=O)CCNC(=O)N1CCn2cccc2[C@H]1c1cc(OC)c(OC)c(OC)c1 12344919 GOALGPKYNLYIMU-HXUWFJFHSA-N 431.489 2.582 0 40 IFAB COc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 12780486 GOEUNOOEYPGXIV-LTSKSLEPSA-N 426.513 2.915 0 40 IFAB Cc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F 12993595 COAXRUVGAQADKO-UHFFFAOYSA-N 447.488 2.855 0 40 IFAB Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S 13063580 UKVRRRNSGMJLNC-UHFFFAOYSA-N 429.571 2.676 0 40 IFAB O=C(c1ccco1)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1 13150685 FREJMDIEGHKGAH-CQSZACIVSA-N 438.875 2.829 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 14523284 MDRSENHAPWUKEX-UHFFFAOYSA-N 425.441 2.804 0 40 IFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1 15421276 JSWXPDDMZPOKTG-UHFFFAOYSA-N 429.542 2.562 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2F)CC3)ccc1F 15780613 ZOGBYXBLCKMFLI-UHFFFAOYSA-N 436.480 2.927 0 40 IFAB CC(C)Cn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1N1CCOCC1 19298874 SFOGIFSMHZKDQR-UHFFFAOYSA-N 441.565 2.574 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19529002 YPIZUBMSZCTOPW-RUZDIDTESA-N 430.508 2.648 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2ccccn2)CCO1 19580732 UIDHOJJCDFSYAU-RUZDIDTESA-N 430.508 2.686 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)CCN2CCC(C)CC2)nc2c1CN(C(C)=O)CC2 19710372 QJHXPNPVESGHJE-OAQYLSRUSA-N 442.608 2.599 0 40 IFAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)cc1 19710846 DMPXJFNNYAOEDL-NRFANRHFSA-N 437.544 2.937 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 19739447 LGMFXWWXXSMYGF-KRWDZBQOSA-N 446.548 2.933 0 40 IFAB Cc1nc(N)ncc1C(=O)N1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19761197 VGJQUATVXKHUSD-INIZCTEOSA-N 432.528 2.931 0 40 IFAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2S(=O)(=O)N2CCCC2)n1 19767188 LIVVVPGBOONXTN-FQEVSTJZSA-N 443.573 2.583 0 40 IFAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 20012983 WBCBLNQHWQFGDE-UHFFFAOYSA-N 447.340 2.948 0 40 IFAB CC[C@@H](NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 20111005 YYBHYRMVWZURCT-GOSISDBHSA-N 436.530 2.746 0 40 IFAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 22368200 JWFZFKSIXVYGNO-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB COc1ccc(Cc2nn3c(SCC(=O)Nc4ccccc4C)nnc3nc2O)cc1 22721087 GVSMQWYHNSUBPR-UHFFFAOYSA-N 436.497 2.864 0 40 IFAB COc1ccc2cc([C@]3(C)NC(=O)N(CN4CCN(c5ccccn5)CC4)C3=O)ccc2c1 23908539 DCWNLZORKRLWSB-VWLOTQADSA-N 445.523 2.790 0 40 IFAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 24753415 NZWLAFQQXBGREO-XMHCIUCPSA-N 437.477 2.532 0 40 IFAB O=C(NCc1cccc(CN2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 25133282 QPQIOVZWQIESQO-JOCHJYFZSA-N 441.597 3.000 0 40 IFAB O=c1oc2cc(S(=O)(=O)N3CCOCC3)ccc2n1Cc1ccc(Cl)cc1Cl 27914984 XMBAWUGACCGOSY-UHFFFAOYSA-N 443.308 2.971 0 40 IFAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)NC[C@@H]1COc2ccccc2O1 32671943 JMEPINOVXHJWBR-OAHLLOKOSA-N 431.445 2.836 0 40 IFAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 32787121 JVVQYCHAVNYPNJ-MRXNPFEDSA-N 439.559 2.970 0 40 IFAB CN(C)C(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 32810578 HCSATOVLJBZQKC-UTKZUKDTSA-N 436.512 2.813 0 40 IFAB CC[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O 32947219 AJTFAPPQWZJZOY-WDEREUQCSA-N 428.352 2.547 0 40 IFAB Cn1c(=O)n(C)n(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2)c1=O 40146616 SZISXYMDIIONQK-QFIPXVFZSA-N 428.492 2.589 0 40 IFAB O=C(CN1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1)NCc1ccc2c(c1)OCO2 48987333 SZXSRSIUQUYNQB-UHFFFAOYSA-N 425.872 2.585 0 40 IFAB COc1ccccc1Cn1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccsc2c1=O 57425594 SCIFPKFYPHWQNJ-HNNXBMFYSA-N 445.566 2.902 0 40 IFAB CC[C@@H](C)NC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O 57503262 LIVZUSSITWRRFE-GFCCVEGCSA-N 426.864 2.781 0 40 IFAB CCOc1cc(/C=C/C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccc1OC(F)F 62581952 JJJLDEDJNJVLBT-SOFGYWHQSA-N 432.489 2.582 0 40 IFAB COCCn1ccc2c(cnc3nc(SCc4ccc5c(c4)OCCCO5)nn32)c1=O 72460769 WJENYULJVJGBOH-UHFFFAOYSA-N 439.497 2.539 0 40 IFAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cnn(CC(=O)N2CCOCC2)c1 95401336 BCELTLCZYSQIBK-UHFFFAOYSA-N 447.706 2.720 0 40 IFAB O=C(CO)N1CCN(c2cc(C(F)(F)F)nc3c(F)cc(Br)cc23)CC1 96011608 OOTNWJCVGJGWJZ-UHFFFAOYSA-N 436.203 2.796 0 40 IFAB CNC(=S)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 102435813 CYBRUUUSUZRRMD-HNNXBMFYSA-N 431.901 2.707 0 40 IFAB Cc1ccc(S(=O)(=O)CC(=O)CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 102979916 ABILOJBOTLRSDA-UHFFFAOYSA-N 427.400 2.955 0 40 IFAB COc1ccccc1N1CCN(C(=O)CC2(CC(=O)NC[C@@H]3CCCO3)CCCC2)CC1 199405992 SNHUUCASNUKYFX-FQEVSTJZSA-N 443.588 2.980 0 40 IFAB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1cccc(OC)c1)S(C)(=O)=O 222726523 JBEJWWKFRJVWQH-HNAYVOBHSA-N 448.541 2.888 0 40 IFAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCc3cc(Br)ccc32)c1 223015194 DCJXUXXENGITPX-UHFFFAOYSA-N 439.331 2.959 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)s2)cc1 223350241 ZUTZVNPPAUDSCK-UHFFFAOYSA-N 431.543 2.765 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc3ccccc3c2)Oc2ccccc21 223613079 QSSLXPQRDVXAFE-QFIPXVFZSA-N 440.521 2.952 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Br)cc1OC 224800514 MBVUKXMTUJVOGY-UHFFFAOYSA-N 430.276 2.746 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(OC)c(OC)c3OC)ccc21 225695665 UOJBQZZGMAZEER-UHFFFAOYSA-N 438.527 2.587 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O 260888150 IGZZGZRWALIEHQ-GOSISDBHSA-N 434.558 2.970 0 40 IFAB COc1cccc(N([C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c1 260888434 NUPSUDMFOAKTNL-GOSISDBHSA-N 445.585 2.762 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(OC)ccc2OC)CC1=O 408660291 NKIMLVMDGNPBFJ-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(I)cc1 409024590 FLBCHALSFODMJR-UHFFFAOYSA-N 436.315 2.506 0 40 IFAB O=C(c1cccc2c1OCCO2)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 585500914 SJIJWCQCSDEEQZ-UHFFFAOYSA-N 432.480 2.629 0 40 IFAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)[C@H]3CCN(C)C3)Cc3ccccc31)N2C 643578082 CMQHMJWADIKFEV-BDTNDASRSA-N 426.605 2.967 0 40 IFAB Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1135880982 GQGVFUGDBVJGPY-UHFFFAOYSA-N 443.325 2.532 0 40 IFAB O=S(=O)(N[C@H]1CCCN(c2ncc(Br)cc2C(F)(F)F)C1)C1CC1 2086861286 BIPQQDNOLRLEKP-JTQLQIEISA-N 428.274 2.914 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)cc1 922238 PYQPJLQFGLYRPI-UHFFFAOYSA-N 438.575 2.872 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OCC(=O)c1cccc2ccccc12 1841747 QJYPIFZFGBHSHX-UHFFFAOYSA-N 438.867 2.765 0 40 IFAB O=c1c2ccccc2sn1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3206012 NQBINQNEBDVFFF-UHFFFAOYSA-N 445.566 2.673 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccccc1OCC 3497163 XEWWYZDPFQEGBD-UHFFFAOYSA-N 427.486 2.969 0 40 IFAB Cc1cc(NC(=O)CNc2ccc(Cl)cc2C(=O)OCC(=O)Nc2cc(C)on2)no1 8882037 VZPJUUSTCSBJRW-UHFFFAOYSA-N 447.835 2.779 0 40 IFAB CC(C)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001529 RIXRIWODYNGMAN-UHFFFAOYSA-N 429.480 2.764 0 40 IFAB COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1OC 9420399 AQGSTIPZXRGTNT-SFHVURJKSA-N 429.395 2.577 0 40 IFAB COC(=O)c1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)cc1 9708848 CKHHCIFKYSJRFE-UHFFFAOYSA-N 436.472 2.991 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 9764608 RKURHLPBKWQHAL-UHFFFAOYSA-N 428.963 2.730 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1cccc(OC)c1 9969270 VAMCZBYBABZHKJ-HXUWFJFHSA-N 444.509 2.649 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010135 CFVAFEVJOBVHEM-UHFFFAOYSA-N 434.539 2.989 0 40 IFAB Cc1ccc(F)cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 11160113 DPAWGGAKBXRRTR-UHFFFAOYSA-N 431.533 2.568 0 40 IFAB CC[C@@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 11722559 VXCKQVHAJUTZBZ-IAGOWNOFSA-N 427.588 2.753 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 11758623 VBVRTEHHKJPQPN-UHFFFAOYSA-N 438.444 2.867 0 40 IFAB COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCCO)c3ccc(OC)cc3)n2)cc1 12176643 JLOLZLMBFLBQFM-SFHVURJKSA-N 428.514 2.821 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2n1 12230431 LDYFTGVEZGZKRS-WFASDCNBSA-N 444.479 2.970 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12975693 RGFQYKLJWSCWHN-MRXNPFEDSA-N 444.329 2.861 0 40 IFAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)CC1 13117019 OAQIWPOYBMHGPI-IBGZPJMESA-N 442.633 2.898 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 13566385 WCIMUJVERVCWJI-UHFFFAOYSA-N 426.878 2.775 0 40 IFAB COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(C)=O 15263342 XTJNJYXJOCWFBW-NVNXTCNLSA-N 427.409 2.991 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)c1C 16321084 MEBMZAMAJXCQBW-UHFFFAOYSA-N 439.497 2.678 0 40 IFAB Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 16977713 PUADGDJMWTUKTN-HXUWFJFHSA-N 442.516 2.863 0 40 IFAB CN1C[C@@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)CC1=O 19083922 YXOCXMPPIPWYKY-FXUDXRNXSA-N 437.535 2.888 0 40 IFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 19171619 ALKCFVQKXGUQPN-QYZOEREBSA-N 442.313 2.993 0 40 IFAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1 19573648 YXKHOGBYYCEJSH-UHFFFAOYSA-N 442.566 2.952 0 40 IFAB CCn1ccc(C(=O)N2CCC[C@@H]2c2nc(C)ncc2C(=O)NCc2ccc(OC)cc2)n1 19767111 IHZMSNYMDTWOMT-OAQYLSRUSA-N 448.527 2.917 0 40 IFAB Cc1c(CCC(=O)N2CCN(CCO)CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 20622286 SFVDJUDQRABYIS-UHFFFAOYSA-N 438.524 2.796 0 40 IFAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3s2)CC1 21886454 LWIBJBAOBWJSGF-UHFFFAOYSA-N 446.964 2.595 0 40 IFAB CCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(=O)c2cc(OC)ccc21 22236009 NIGZLBJJICKGKI-UHFFFAOYSA-N 438.436 2.856 0 40 IFAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 22483628 SOKZEBDZQLXELO-GOSISDBHSA-N 441.507 2.800 0 40 IFAB CCN1CCN([C@H](c2ccc(OC)c(OC)c2)c2nnnn2Cc2ccc(F)cc2)CC1 22929381 CWOMUBNSMLHTJY-JOCHJYFZSA-N 440.523 2.605 0 40 IFAB CCC(=O)N(c1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1)C1CC1 23844347 GUTSZRAZPOSFSI-UHFFFAOYSA-N 445.614 2.880 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(COc3ccc(F)cc3)o2)NC(=O)N[C@H]1C 24463060 QLPRXWYTXDKVKE-LBPRGKRZSA-N 432.404 2.673 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1 25087722 RASVMDUNKXNTFD-UHFFFAOYSA-N 425.514 2.837 0 40 IFAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCO1 26398682 NMSVXUCSVPNQQU-WBMJQRKESA-N 436.361 2.577 0 40 IFAB Cn1ccnc1[C@H](NC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1 26741202 XHUSYDVOGXLXIE-GOSISDBHSA-N 443.529 2.768 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCC(=O)NC(C)C)cc1 32743513 UMYKBJLRGQCWOG-UHFFFAOYSA-N 443.529 2.766 0 40 IFAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 32752787 PNADEKGAQAUDPZ-UHFFFAOYSA-N 428.562 2.666 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1 32856054 IECLJYXZLMTDLE-VWLOTQADSA-N 446.507 2.691 0 40 IFAB CCN(CC)C(=O)N1CCN(Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)CC1 32923246 DAGFZIDXWBDYNV-SFHVURJKSA-N 446.577 2.500 0 40 IFAB COc1ccc(NC(=O)c2cnc(N3CCN(c4ccccc4OC)CC3)nc2N)cc1 49401559 YJPQPCHAVIDWLX-UHFFFAOYSA-N 434.500 2.655 0 40 IFAB NC(=O)[C@@H]1CC(C(=O)NCc2cccnc2Oc2cccc(F)c2)=NN1c1ccccc1 58224831 FYUMIHWEWAIKEO-FQEVSTJZSA-N 433.443 2.749 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N[C@H](C)c4ccc(OC)cc4)c(=O)n3c(C)n2)cc1 67239724 IQABJHOMSLOPHA-OAHLLOKOSA-N 447.495 2.761 0 40 IFAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)c(C)c1C 72334362 FPMAXVUCQLOVJK-GJZUVCINSA-N 435.568 2.947 0 40 IFAB COc1ccc(-c2cccc(C[C@H]3C(=O)NCCN3C(=O)CN3CCCCCC3=O)c2)cc1 72351432 STGGCHHIAXWMTC-QHCPKHFHSA-N 449.551 2.634 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C)c4ccncc43)cc2)C1 79055355 WOSSBBBOFWDVRX-CALCHBBNSA-N 428.558 2.845 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 96120449 GZIXSINEBKTSQS-UHFFFAOYSA-N 449.504 2.835 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1 96231512 AVIXLNNMJGBPDH-IBGZPJMESA-N 449.511 2.753 0 40 IFAB O=C(NCCc1ccccn1)[C@H]1C[C@]2(CO1)CN(C(=O)c1cccnc1)c1ccccc12 96262945 ZYUZCFGQFASXBP-RCZVLFRGSA-N 428.492 2.523 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(OC)c(OC)c2)C3)c(OC)n1 100149468 PAVYROQWYMCUTF-IRXDYDNUSA-N 429.517 2.631 0 40 IFAB COCCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cc(C(=O)OC)ccc21 100872445 JQXIRUBIYLEVKZ-DQRAZIAOSA-N 430.482 2.894 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)s1 223337403 KQGZXWCMJPWVCN-LLVKDONJSA-N 430.577 2.842 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1 223591774 LXVGKDAUOYOYND-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224365468 JGXLDTDCWASGHH-FQEVSTJZSA-N 449.548 2.535 0 40 IFAB Cc1nc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 225732912 XVEYJOHPCNIVCG-AWEZNQCLSA-N 443.470 2.852 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 248149746 WXUNKRPLHVKSKK-QQUTXWOLSA-N 435.568 2.721 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 408549051 WDSBOFZQBGBMBI-AWEZNQCLSA-N 440.949 2.871 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408550150 AHULRLZVPLRIGN-UHFFFAOYSA-N 437.374 2.576 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1OC 408560743 PTXNLPQZSGHPFZ-IBGZPJMESA-N 444.553 2.689 0 40 IFAB Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 408597304 UTYVEDWQWLAZSK-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB COc1ccc(C(=O)NCc2ccncc2)cc1S(=O)(=O)NCCc1ccccc1 408713691 NCAUCWDGQWOXKX-UHFFFAOYSA-N 425.510 2.541 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(C)c(C)c1 409393425 WMJVICKQLRBRCO-UHFFFAOYSA-N 445.585 2.590 0 40 IFAB O=C(c1cnc2c(c1)c(O)nc(=O)n2C1CC1)N1CCC(c2c[nH]c3ncccc23)CC1 517648208 YTNNIEMCJKJUTK-UHFFFAOYSA-N 430.468 2.728 0 40 IFAB COc1cc([C@@H](CC(=O)NCCc2ccc(O)cc2)c2oc(C)cc(=O)c2O)ccc1O 524730841 ZGCYRVIBQHZEGX-GOSISDBHSA-N 439.464 2.955 0 40 IFAB biogenic COc1ccc(-c2csc(NC(=S)NC[C@@H]3CCS(=O)(=O)C3)n2)cc1OC 575421684 KZEIRSCYJDVQPT-NSHDSACASA-N 427.573 2.548 0 40 IFAB C[C@@H](Sc1nc(CC(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)cs1)C(N)=O 1167332331 FCKSWZLEYBZHPZ-BMLIUANNSA-N 447.504 2.694 0 40 IFAB COc1ccc(CN2C(=O)CO[C@H](C(=O)Nc3cc[nH]n3)[C@H]2c2ccccc2)c(OC)c1 1565519412 OLUXFMXTUWBQJZ-YADHBBJMSA-N 436.468 2.534 0 40 IFAB CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)Cn3ccccc3=O)CC2)c2cc(F)ccc21 1565551616 PTSQNBRDDDLHCT-KRWDZBQOSA-N 425.504 2.513 0 40 IFAB O=C(Cc1ccccc1F)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 1775973443 BZYKFXLROXOQQN-UHFFFAOYSA-N 431.475 2.607 0 40 IFAB CC(C)CC(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334756 CVOXQYBQJNBHFB-OAHLLOKOSA-N 428.924 2.968 0 40 IFAB CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(OC)cc1 8694859 FGXUGEIXUOHKPY-UHFFFAOYSA-N 435.487 2.632 0 40 IFAB CCc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1 9356405 FFBZJALMRFUDKG-UHFFFAOYSA-N 426.542 2.847 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1cccnc1 9419122 DVHCWEYNGKGHHQ-IBGZPJMESA-N 439.903 2.776 0 40 IFAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NCCCN1CCCC1=O 9487807 LETAEVGOCVVUHZ-UHFFFAOYSA-N 432.904 2.833 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 9806272 CBKPCFROIDXHCH-LJQANCHMSA-N 429.542 2.520 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)n1 10243384 LWADTJPBENOTMC-UHFFFAOYSA-N 427.486 2.575 0 40 IFAB Cc1cc(C)c(CNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c(=O)[nH]1 10458831 ITPKSNUUJWRPHM-UHFFFAOYSA-N 438.484 2.886 0 40 IFAB COc1cc(NC(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc(OC)c1OC 11613231 PJVHSZOHEUPDRD-UHFFFAOYSA-N 445.520 2.952 0 40 IFAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NCCc1cccs1 12851437 NCWBVWMOOYTOOA-UHFFFAOYSA-N 428.583 2.975 0 40 IFAB CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)N1 12892336 ORSQOPFGRYPMEL-YEJXKQKISA-N 432.480 2.735 0 40 IFAB biogenic Cc1ccc(CNC(=O)CN(C(=O)[C@]2(C)CC(=O)N=C3C=CC=CN32)C2CCCC2)cc1 13086346 VVWRQXUBQAGLMA-VWLOTQADSA-N 434.540 2.855 0 40 IFAB COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCCC2)cc1 13130871 ZUWLGTMQGOCOJH-FQEVSTJZSA-N 432.542 2.972 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)CC1 13674846 FSQISQLOUBFKEB-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB NC(=O)N[C@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 14246268 OBUKPWMYXHYITL-HNNXBMFYSA-N 441.841 2.812 0 40 IFAB C[C@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)n1c(=O)oc2ccccc21 14316336 UALUQQBNJWNUOF-CQSZACIVSA-N 437.452 2.762 0 40 IFAB CCOc1ccc(CN(CC)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC 15613869 WQKOCLGCEGWROH-DEOSSOPVSA-N 439.512 2.910 0 40 IFAB CSCC[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 19288657 SASYQVQZBVDDBY-INIZCTEOSA-N 438.557 2.668 0 40 IFAB Cc1nc(C)n(CC(=O)N2CCO[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)n1 19693372 GVVPXDZEYBYQHA-QGZVFWFLSA-N 446.433 2.971 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)nc2c1CC(=O)N2C 19743736 WYDCMDRLSYXDBP-KRWDZBQOSA-N 425.577 2.877 0 40 IFAB Cc1nc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)ncc1C(=O)N1CCOCC1 19751979 GXRIWMBVUNOSMJ-UHFFFAOYSA-N 440.519 2.735 0 40 IFAB COc1ccc(-c2noc(C(=O)NCCNC(=O)COc3cccc4ccccc34)n2)cc1 21453897 IDKDZWDHSFEJSE-UHFFFAOYSA-N 446.463 2.823 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 21600810 GSFWPNZSIUACGQ-CVEARBPZSA-N 425.460 2.726 0 40 IFAB COc1ccc(NC(=O)COc2ccc(Br)cc2F)cc1NS(C)(=O)=O 22993598 XBAADCHKHCWFQF-UHFFFAOYSA-N 447.282 2.986 0 40 IFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1cccc2cc(C)cnc12 24454620 YQRDDXRDKVPBFK-UHFFFAOYSA-N 440.525 2.682 0 40 IFAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 26109502 MPTVPPAABCONFG-CJNGLKHVSA-N 435.373 2.830 0 40 IFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCCCCc1nc(-c2cccs2)no1 28698246 VNVNECUBJSNTMT-UHFFFAOYSA-N 445.545 2.882 0 40 IFAB O=C(CCn1nc(-c2cccs2)oc1=O)OCc1ccc(C(=O)N2CCCC2)cc1 29746523 TXAJHFFVKMNNAS-UHFFFAOYSA-N 427.482 2.934 0 40 IFAB COC(=O)c1ccccc1-n1ncc(NC[C@@H]2COc3ccccc3O2)c(Cl)c1=O 30619553 ZHRQUGKMBKSTGV-CYBMUJFWSA-N 427.844 2.924 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)sc2c1CCCC2 31557684 OEJNUCKFCGRSGC-INIZCTEOSA-N 445.541 2.726 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1[C@@H](N(C)N=O)CC2 32109429 LZBBCXNEQUUFOX-KRWDZBQOSA-N 429.473 2.744 0 40 IFAB biogenic COc1ccc(CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1Br 32806102 YLUDBOCKKKANNW-UHFFFAOYSA-N 444.351 2.569 0 40 IFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 32871403 JRUJTHBHBSPXMB-UHFFFAOYSA-N 443.997 2.762 0 40 IFAB COCCCn1c(C(=O)Nc2ccc(C(=O)OC)cc2)cc2c(=O)n3ccccc3nc21 33588783 MDYGEMXUVXPHRT-UHFFFAOYSA-N 434.452 2.725 0 40 IFAB CCOC(=O)c1ccc(N2CN=c3s/c(=C/c4cccc(Cl)c4)c(=O)n3C2)cc1 34707395 FAHLCTDKCWIJAP-WOJGMQOQSA-N 427.913 2.624 0 40 IFAB C[C@@H](C(=O)NCCOc1ccc(-c2ccccn2)nn1)n1nc(-c2cccs2)ccc1=O 56908254 LRLDINZBMUCULJ-HNNXBMFYSA-N 448.508 2.580 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@H]1c1ccccc1 57414244 QLSPSGQQTDMGHL-QHCPKHFHSA-N 434.540 2.907 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 58162372 SYOHTSZABWDBHU-SFHVURJKSA-N 431.558 2.646 0 40 IFAB COC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204796 LFRBBDOFJDMYLL-OAQYLSRUSA-N 430.524 2.557 0 40 IFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)c1cccnc1 67896585 ZYIIMCXAIPVUQQ-FYYLOGMGSA-N 435.455 2.934 0 40 IFAB biogenic,in-vitro Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]3CN3CCC[C@@H]3CO)c2c1C 72313865 WKNMYJDJDRXGTD-RTBURBONSA-N 445.633 2.566 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1 79477380 QESUCVCNEYNDKK-KRWDZBQOSA-N 426.517 2.558 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nnc(Cc2ccccc2)s1 79488135 QRKIWNIYWOLTMB-HNNXBMFYSA-N 431.543 2.554 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)NCC3(O)CCC4(CC3)OCCO4)cc2F)C[C@@H](C)O1 89936823 RWYSAJYCZPSACQ-IYBDPMFKSA-N 437.512 2.609 0 40 IFAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C 89969244 HMAZNZZEJGFVJV-INIZCTEOSA-N 434.562 2.918 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O)NCCc1c[nH]c2ccccc12 95430261 PWVLDSIXKSYJNV-HSZRJFAPSA-N 436.899 2.874 0 40 IFAB Cc1cc(C2CCN(S(=O)(=O)c3cc4c(cc3Br)OCCO4)CC2)[nH]n1 96008926 HFZVJEFSUZEGBB-UHFFFAOYSA-N 442.335 2.820 0 40 IFAB O=C(C1CC1)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1cccnc1)CC3 100233781 WSFYQXVSZSMFOC-NRFANRHFSA-N 432.528 2.852 0 40 IFAB COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 107542327 SILDRNKRNVYBDM-GOTSBHOMSA-N 444.553 2.665 0 40 IFAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 222569563 ZOUUXUUXNGBMNM-MRXNPFEDSA-N 448.541 2.776 0 40 IFAB CCSc1nnc(NC(=O)[C@@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)s1 223075856 BAYRHMMKOQACBE-CYBMUJFWSA-N 430.577 2.842 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)s1 223239782 WXRZKJDWYFLGHS-ZDUSSCGKSA-N 428.561 2.514 0 40 IFAB CCOc1cccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 224765902 SVAKSWQKHOGANH-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB CS(=O)(=O)N[C@H](CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 225952272 NTSLDFGCXIUPCG-GOSISDBHSA-N 439.940 2.808 0 40 IFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CCc1c[nH]c3ccccc13)CC2 257216537 CUYQMUHUYFJNBZ-GOSISDBHSA-N 446.555 2.853 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)CC2(O)CCCCC2)CC1 257294391 QTXBSAYHIHPWBP-WPFOTENUSA-N 430.589 2.908 0 40 IFAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 408701634 BIIKMVQTIJESMI-KRWDZBQOSA-N 431.514 2.609 0 40 IFAB COc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)o2)cc1OC 408714492 RWTIUKLPBDKOSN-UHFFFAOYSA-N 446.485 2.533 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 409028555 ORGHOCSJGGDKMJ-HNNXBMFYSA-N 433.530 2.627 0 40 IFAB COc1nc(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)nc(N2CCOCC2)n1 575606233 GVBSTFRPQKIKNE-UHFFFAOYSA-N 439.447 2.578 0 40 IFAB Cc1ccc(C(=O)Oc2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1 832280 YIZXTQGJXHFEJL-UHFFFAOYSA-N 440.315 2.998 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)n1 2387140 HZHFRNHBVIDWTF-UHFFFAOYSA-N 433.299 2.591 0 40 IFAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)NC(N)=O)c12 2653414 QIUYEJMZUIBYPG-UHFFFAOYSA-N 429.436 2.748 0 40 IFAB CCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 2938190 KVROYZZTEJIIHG-KRWDZBQOSA-N 425.348 2.865 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 3216204 FVOMCIWXZIXYHF-ZIAGYGMSSA-N 445.379 2.588 0 40 IFAB Cc1ccc(-n2nnc3c(SCC(=O)N4CCN(c5ccccc5)CC4)ncnc32)cc1 4057525 ZQVCYCIXXORGQH-UHFFFAOYSA-N 445.552 2.960 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1)c1ccco1 4236174 ZTVRAEHCKXWBDP-DLBZAZTESA-N 433.464 2.718 0 40 IFAB biogenic,in-vitro COc1ccc(CNC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)cc1 8438393 ZTAYIKNBQJVDIS-UHFFFAOYSA-N 444.538 2.973 0 40 IFAB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCC(=O)O 8811168 BTBRMUQLWLUJHC-LSHDLFTRSA-N 436.848 2.983 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8883220 XKKVMMCGZZHTLH-IBGZPJMESA-N 430.526 2.798 0 40 IFAB C[C@H](NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)c1cc2ccccc2o1 9207619 DGIRDFKFEIPPJX-GAJHUEQPSA-N 449.507 2.736 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1 9262607 CAMPRBSEOONFFV-UHFFFAOYSA-N 426.498 2.989 0 40 IFAB C[C@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 9292576 YAIDYKKCPDWMTE-KRWDZBQOSA-N 447.514 2.783 0 40 IFAB C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3C)c2C(N)=O)C1 9507032 IRMMSGMCAHPRAM-LLVKDONJSA-N 442.570 2.893 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1C 9743592 IIRBPIXRKYRWKJ-HXUWFJFHSA-N 443.569 2.992 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1C 9974559 HZFJYNNMQFUQOJ-MRXNPFEDSA-N 446.525 2.814 0 40 IFAB CCN(CC)CCn1c(C)cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 10233415 ZELTVGZTYORULU-JLHYYAGUSA-N 434.544 2.513 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O 10272417 NTWYODZYJJUFAN-UHFFFAOYSA-N 445.541 2.563 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417627 PIHPJVYIFVPDKT-LBPRGKRZSA-N 439.896 2.911 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 12547779 FTFYSZRXZOVCDD-VOIUYBSRSA-N 447.495 2.525 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(I)cc1 12692328 BAEATBPTDDGYBQ-UHFFFAOYSA-N 442.278 2.984 0 40 IFAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1=O 12753543 DLGOVOFIWNHVBZ-JKSUJKDBSA-N 426.517 2.839 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 12807868 ZDYKLYCDPPRWLE-HNNXBMFYSA-N 436.555 2.835 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(-c2cccc(OC)c2)c1=O 12888578 OGEQELQSDHYIFM-OAQYLSRUSA-N 432.480 2.689 0 40 IFAB biogenic CCc1noc(C)c1C(=O)N(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12902034 VIDRGEDXMYZPNA-UHFFFAOYSA-N 439.516 2.719 0 40 IFAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2)cc1 13059657 RLAPWXCAXBZJNS-IBGZPJMESA-N 436.556 2.805 0 40 IFAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccc2c(c1)OCO2 13930233 YXOCBNSIRJYHGT-UHFFFAOYSA-N 435.358 2.643 0 40 IFAB CCn1c(SCC(=O)N2CCN(C(=O)C3CC3)CC2)nnc1-c1ccc(Cl)cc1 14083455 HLWHRZLNSNHWES-UHFFFAOYSA-N 433.965 2.791 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 14083775 LRWFBKKMDUFHEA-INIZCTEOSA-N 440.550 2.868 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 14095217 MVISIWKABIPKIR-UHFFFAOYSA-N 441.937 2.613 0 40 IFAB O=C(OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(C2SCCS2)cc1 14167747 OJWYHXFHYQKYFG-MRXNPFEDSA-N 441.596 2.500 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1I 14429749 CUQKJLNRPOQWPH-VXGBXAGGSA-N 426.254 2.795 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c1 16047557 UUSPEKKDZCVVCI-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB Cc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C 16795119 PASKQPWYPAOYKY-DLBZAZTESA-N 435.480 2.573 0 40 IFAB CN(CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 17840641 CJZKDTOQXOQQAC-SFHVURJKSA-N 433.549 2.869 0 40 IFAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCN(C)Cc4cccnc4)C3)c2N)cc1 19213197 HMWUYZPGYCGNQU-FQEVSTJZSA-N 446.555 2.711 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NCCc3ccccc3)CC1)O2 19219040 IUCKHOXNRPRKKY-AFMDSPMNSA-N 449.551 2.616 0 40 IFAB O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337635 JXEUFPGFDDECSO-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(Cl)c3)CC1)C2=O 19699507 AGPWEOQQENTNDE-UHFFFAOYSA-N 448.951 2.847 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)ncc1C(=O)N1CCOCC1 19755687 CLJBMXDGUURHCY-NRFANRHFSA-N 433.512 2.645 0 40 IFAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1OC 20024703 ZNMRFWBKVWXHJF-AWEZNQCLSA-N 436.530 2.890 0 40 IFAB O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ccc3nncn3n2)CC1 20734350 GTLPQQTUEUCULQ-UHFFFAOYSA-N 447.587 2.759 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)N[C@@H](c3ccc4c(c3)CCCC4)c3cccs3)cnc21 21437369 DACRMDPKPZAKAE-NRFANRHFSA-N 433.537 2.976 0 40 IFAB Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 22714535 LLXWHNRRCLDOLU-UHFFFAOYSA-N 427.508 2.634 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc23)N2CCOCC2)cc1 23107498 LYCCUFNTWWNLNY-HSZRJFAPSA-N 448.523 2.680 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1 23442852 AXRHFBCDMOBAMC-UHFFFAOYSA-N 433.549 2.861 0 40 IFAB O=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 24747396 NZYKOJIZBCCBRY-INIZCTEOSA-N 440.468 2.675 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)N3CCN(Cc4csc(C)n4)CC3)cc2C1=O 30567889 VBWYXCMBPCRCKC-UHFFFAOYSA-N 426.542 2.806 0 40 IFAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 32738199 VBJXSOZHCSXMFR-UHFFFAOYSA-N 432.480 2.623 0 40 IFAB Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1Cc1ccc2c(c1)OCO2 35388046 CKYLXNDKZDZMCC-UHFFFAOYSA-N 433.512 2.677 0 40 IFAB NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4ccncc4)n3)ccn2)CC1 35424715 CUDBTTLPLLSTFM-IBGZPJMESA-N 433.516 2.565 0 40 IFAB biogenic,in-vitro COC(=O)c1ccc(COc2coc(CN3CCN(Cc4ccccc4)CC3)cc2=O)o1 36357719 ZNUPAUUMMDIYNJ-UHFFFAOYSA-N 438.480 2.916 0 40 IFAB O=C(Cc1noc(C(=O)NCCc2c[nH]c3ccccc23)n1)Nc1ccc(F)cc1F 36358229 BTVSRYSOTSTLKJ-UHFFFAOYSA-N 425.395 2.983 0 40 IFAB CCCCCn1nc(C(=O)Nc2ccccc2CN2C(=O)CNC2=O)c2ccccc2c1=O 40134838 UTMILGFLGIDVJZ-UHFFFAOYSA-N 447.495 2.891 0 40 IFAB O=C(NCC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1c[nH]c2ccccc2c1=O 40145193 URUYMPLIOPNPFW-HNNXBMFYSA-N 429.480 2.540 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c21 40388948 ATGIIJGGSJWIQH-YPMHNXCESA-N 445.907 2.733 0 40 IFAB C[C@H]1CCc2nc(NC(=O)c3nn([C@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 40988240 ISZCLNQQYLQFFO-STQMWFEESA-N 434.587 2.955 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 57292068 LAZMRCNEJZBANI-SFHVURJKSA-N 427.570 2.817 0 40 IFAB COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 58029262 MDUKUFPZHWRMFO-HXUWFJFHSA-N 432.542 2.767 0 40 IFAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c(OC)c1OC 71279362 XMZWSMXFORVFRV-GXTWGEPZSA-N 435.502 2.701 0 40 IFAB COc1ccc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1F 72022847 UXZRFYBOUWRARM-UHFFFAOYSA-N 430.295 2.828 0 40 IFAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)N2CCN(CCO)CC2)sc2ccccc12 72370823 VQNLADVBHBSGBF-LJQANCHMSA-N 443.613 2.985 0 40 IFAB Cn1nc(C2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)n(-c2ccccc2)c1=O 77100649 DIAURHFNRKLOGY-UHFFFAOYSA-N 448.552 2.999 0 40 IFAB Cc1cc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)ccc1S(N)(=O)=O 89591282 SVEXLVDBMAKQEN-MRXNPFEDSA-N 448.545 2.856 0 40 IFAB COc1cccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@@H]3C2=O)c1 101277525 JRQRILOGTYYZQE-IRXDYDNUSA-N 438.831 2.892 0 40 IFAB COc1cccc(N([C@H](C)C(=O)NCc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)c1 220186312 QFMRSIUZNFYXTP-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB COc1cc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc(OC)c1OC 222573787 NAXHBLWYXXQGKU-UHFFFAOYSA-N 448.541 2.881 0 40 IFAB COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 224032941 QNYCVXOYUGZUEO-UHFFFAOYSA-N 448.541 2.687 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 224519800 FIMGMVLDGSWBLA-UHFFFAOYSA-N 447.626 2.941 0 40 IFAB CN(C)c1ncc(-c2ccc3c(c2)OCCO3)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257220804 DMFIODOVPDHBDP-GOSISDBHSA-N 448.527 2.584 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1 257325906 WUYLKTIYWHXMMN-UHFFFAOYSA-N 426.502 2.587 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)c4ccco4)C[C@@H]3c3cccnc3)C2=O)cc1 306132021 KVTXIMZLRPQIAT-PXDATVDWSA-N 447.491 2.721 0 40 IFAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 501896032 DVWKYAKXVYMTGN-AOMKIAJQSA-N 445.922 2.899 0 40 IFAB C[C@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC12CCC2 536590482 HHFJQRYUCYEMKF-SFHVURJKSA-N 435.590 2.570 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 539683039 FVHMDGBHYXDVNK-XMSQKQJNSA-N 433.508 2.761 0 40 IFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 575609096 JAIKHMCHRCNABI-KRWDZBQOSA-N 437.949 2.925 0 40 IFAB COC(CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O)OC 2108483 VKNOYTRGTAJFOT-GBXCKJPGSA-N 433.508 2.780 0 40 IFAB biogenic C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 2657955 GEOLYBUZQKSZFM-FQEVSTJZSA-N 430.302 2.575 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1 3958825 LFVVACFQDAWRIX-UHFFFAOYSA-N 432.571 2.857 0 40 IFAB COc1cc([C@@H]2c3cc4c(c(OC)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 4098845 BFKORKXLSJUYSS-RQUSPXKASA-N 428.437 2.927 0 40 IFAB biogenic,in-vitro CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)N3CCOCC3)[C@@H](CC)C2)c1 5414926 HFUHZMSLHLQQAV-ROUUACIJSA-N 431.533 2.992 0 40 IFAB biogenic,in-vitro COCCn1cnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2Cc1ccccc1 9128838 WFHNOQDPLGZJQF-UHFFFAOYSA-N 442.878 2.895 0 40 IFAB Cc1cc(C)c(C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1 9129116 QBJHAJUPDYZGKR-FQEVSTJZSA-N 429.538 2.985 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)n1 9216786 LWZWPWBYTDLLHM-QHCPKHFHSA-N 431.500 2.949 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc(N)nc(Nc4ccccc4)n3)C2=O)cc1 9338581 VMUICJBNEWVZJD-HSZRJFAPSA-N 447.499 2.649 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Sc2nc(Cl)nc3nc[nH]c23)CC1 9421605 ZMUQLAQEEUTQDA-GFCCVEGCSA-N 432.937 2.844 0 40 IFAB CCN(Cc1cc(Cl)cc2c1OCOC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9614188 QEEKBBIFUSQAAU-UHFFFAOYSA-N 442.903 2.714 0 40 IFAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9663950 KHSONSVMBHTJDG-UHFFFAOYSA-N 443.525 2.615 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC2CCCC2)c(C)c1 9745804 DAVDATFMTMFDGA-HXUWFJFHSA-N 449.617 2.720 0 40 IFAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2cccnc21 9830920 MVFCCGDQZXOEOC-UHFFFAOYSA-N 430.464 2.562 0 40 IFAB CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)CC1 9963608 IGDUKTHSIVESII-UHFFFAOYSA-N 433.530 2.563 0 40 IFAB O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCCc1ccc(Cl)cc1 10213068 YCECIXILMRQFPV-UHFFFAOYSA-N 436.839 2.876 0 40 IFAB CCn1c(=O)n(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c2ccccc21 10494484 RNQBXCQTXQSSMF-UHFFFAOYSA-N 444.557 2.719 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(F)cc3)nnc1n2CCCc1ccccc1 10969740 VXDXKRYJJDTFCV-UHFFFAOYSA-N 432.459 2.520 0 40 IFAB Cc1cc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2n1 11666337 BDPBUDAOHNEPBE-UHFFFAOYSA-N 432.527 2.581 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2N1 12181244 ICRMZAZKCCXVPF-BFJAYTPKSA-N 448.511 2.925 0 40 IFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 12692321 UQKKBLZFHYSSFR-UHFFFAOYSA-N 448.508 2.735 0 40 IFAB CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 12744420 DWYLVRIABMZPDY-SJLPKXTDSA-N 441.509 2.822 0 40 IFAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(CN2CCSC2=S)CC1 12758647 CTPPVTKINOXNQE-UHFFFAOYSA-N 426.416 2.591 0 40 IFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)c1OC 12775240 FBPKJXODAKEERO-CMDGGOBGSA-N 429.454 2.788 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 12792975 ZIEPVCRPJZGAQQ-UHFFFAOYSA-N 429.542 2.799 0 40 IFAB CCn1c(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)nnc1-c1ccncc1 12850419 QONKXMBKHFLLHI-UHFFFAOYSA-N 425.474 2.537 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12929968 RQWXBGHHDXEWOU-KSSFIOAISA-N 448.416 2.995 0 40 IFAB O=C1COc2ccc(C(=O)CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc2N1 13120257 PMSRLYCZLIAXNV-KRWDZBQOSA-N 425.422 2.888 0 40 IFAB O=C1C(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C(=O)N1CCC1=CCCCC1 13121047 DXFKLKGXENMJBT-UHFFFAOYSA-N 427.476 2.998 0 40 IFAB COC(=O)c1sccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 15606630 JSVIKVKGZKIDCI-UHFFFAOYSA-N 438.527 2.583 0 40 IFAB CCOc1ccc(CN(CC)C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC 15613872 WQKOCLGCEGWROH-XMMPIXPASA-N 439.512 2.910 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCC4)cc1OC 16898174 DTRIOLNNQQGWRI-ZDUSSCGKSA-N 427.526 2.884 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)nc(O)c2C1 19014767 OQCFKGFYXVRMBZ-WOJBJXKFSA-N 442.560 2.880 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)c4cccs4)nn3c(O)c2C1 19017969 SQNKCZUTWUFUEV-KRWDZBQOSA-N 425.514 2.768 0 40 IFAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc3nsnc23)C1=O 19078448 SEHIXZROUCJOGN-LJQANCHMSA-N 447.423 2.698 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H]1Cn1nnc(-c2ccccn2)n1 19453149 UNERUXBKZZLDCO-KRWDZBQOSA-N 442.545 2.720 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527348 IWDTZIPGAHNBGP-LJQANCHMSA-N 448.498 2.739 0 40 IFAB COc1cccc(C(=O)N2CCO[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19564702 RTPGWYZPHMCFKG-VWLOTQADSA-N 431.492 2.696 0 40 IFAB CCOCc1ccc(C(=O)N2CCc3c(nc([C@@H]4CCCN4C(C)=O)nc3NC)C2)cc1 19707517 UKUZEKSTYQLWLY-NRFANRHFSA-N 437.544 2.937 0 40 IFAB C[C@H](NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)c1nc2ccccc2[nH]1 19750613 CVWSHAXOJDJQAE-AWEZNQCLSA-N 433.443 2.993 0 40 IFAB Cc1csc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)n1 21482817 UNFSTXMENVBNKG-UHFFFAOYSA-N 431.495 2.911 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)c1cc2ccccc2o1 23882310 RBNHIXYZMMTXCR-UHFFFAOYSA-N 443.525 2.686 0 40 IFAB CCOC(=O)C1=C(CSc2nc3sccc3c(=O)[nH]2)NC(=O)N[C@H]1c1ccco1 31780246 IFUYIFLLIFGILH-ZDUSSCGKSA-N 432.483 2.541 0 40 IFAB C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 32860339 NRZVXLJPNONGEB-HZPDHXFCSA-N 428.510 2.750 0 40 IFAB O=C(CN1C(=O)N[C@H](c2ccccc2OC(F)(F)F)C1=O)Nc1ccc2c(c1)OCO2 32932702 JCOLBMTYORXIQK-MRXNPFEDSA-N 437.330 2.546 0 40 IFAB COc1ccc(NC(=O)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 40149617 AKJYNLNFWOUZGY-CQSZACIVSA-N 445.907 2.742 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1OC 40285738 XZQOGPWKLUNDFJ-UHFFFAOYSA-N 433.464 2.719 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(C)cc4Cl)cnc32)c1 40478136 QVUUIFZZQSRLTA-UHFFFAOYSA-N 438.875 2.645 0 40 IFAB COc1ccccc1C(=O)Nc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 44224965 NILDWZQBYZATON-UHFFFAOYSA-N 431.514 2.558 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(F)cc4F)ncn3n2)cc1 51316952 HHMZUJBXPCPSDV-UHFFFAOYSA-N 439.422 2.551 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)CC1 59849830 LTRNSHICEZHKGY-UHFFFAOYSA-N 427.932 2.855 0 40 IFAB O=S(=O)(Nc1c(F)cccc1Br)c1ccc(S(=O)(=O)NC2CC2)cc1 79054842 OZHUVOFSHRUAKO-UHFFFAOYSA-N 449.323 2.830 0 40 IFAB CNC(=O)NC(=O)CCCSc1nnc(-c2ccccc2Cl)n1CCCOC 83881863 PRRBWCHEUXZSEU-UHFFFAOYSA-N 425.942 2.963 0 40 IFAB Nn1c(SCCn2cnc3ccccc3c2=O)nnc1-c1ccc(OC(F)F)cc1 84587446 YZCZAGAYPGRXJF-UHFFFAOYSA-N 430.440 2.763 0 40 IFAB CCN(CC)C[C@H](O)CN(c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 95117124 ZWHICEVXKVPZAM-NRFANRHFSA-N 433.574 2.851 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(SC(F)F)cc1 102283156 FVPDUYGFBZBKKM-OKILXGFUSA-N 426.441 2.658 0 40 IFAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 220257309 XDOBNRDTCIEDDP-LLVKDONJSA-N 437.345 2.560 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220528166 PZUBXGQEDGFDPK-JOCHJYFZSA-N 444.601 2.930 0 40 IFAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220626792 HDSBPWZNIFANSY-HXUWFJFHSA-N 434.558 2.997 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)n2)cc1 222592203 KVGMOMNSKRNNIW-UHFFFAOYSA-N 426.498 2.905 0 40 IFAB COc1cccc(OC)c1CNC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 225948080 FAGOKPVTKVSWIB-MRXNPFEDSA-N 426.922 2.654 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NCc1ccccn1 257251647 JROSJXRLWFVQNG-IBGZPJMESA-N 446.555 2.716 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl 260888520 BCAYWBBICZWYKU-GDBMZVCRSA-N 438.933 2.759 0 40 IFAB Cc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NCc2ccccc2)CN3C)cc1 306123561 AQDPBYSSCQLOIF-VWLOTQADSA-N 430.556 2.607 0 40 IFAB Cc1ccsc1CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 306134984 ODVUTSNMTANRNH-ROUUACIJSA-N 442.566 2.683 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccccc2)cc1 408562284 OPAZTWOCJXOWHV-UHFFFAOYSA-N 434.452 2.840 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(OC)cc2)cc1Cl 408603529 KPTUCYDWJXCGCM-CYBMUJFWSA-N 426.922 2.731 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704693 RNGWHWQJEOXIJP-IRXDYDNUSA-N 432.542 2.750 0 40 IFAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 408705437 FSZLHVREPVFEQM-HXUWFJFHSA-N 434.514 2.512 0 40 IFAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 616581138 YSDNSJSSGIGZSC-UHFFFAOYSA-N 447.509 2.989 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)cc1 1365490 KUMLJMXDIDVYRM-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB Cc1ccc2nc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)sc2c1 2623075 XWHSLOAFSPWTSM-UHFFFAOYSA-N 437.568 2.868 0 40 IFAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(N2CCOCC2)cc1 3353360 BCJJJDMLBSOGOR-UHFFFAOYSA-N 432.406 2.834 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1 4399678 GCHOEGFEDCLDHD-LJQANCHMSA-N 442.516 2.647 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 8691607 QOLVJHLBDLGJHD-INIZCTEOSA-N 431.901 2.844 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)c1 9190126 WUKMYDOOPORTFC-RHSMWYFYSA-N 431.562 2.792 0 40 IFAB CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1OC 9260319 GZRCGWZFIOQZFA-GOSISDBHSA-N 437.543 2.568 0 40 IFAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(OC)c(OC)c2)cc1 9344377 JQGJDPIJNCHTMK-ZWKOTPCHSA-N 448.566 2.987 0 40 IFAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N[C@@H](CO)Cc2ccccc2)C1=O 9429376 DKTBXPJZLOCJBY-WRDGEJPTSA-N 440.521 2.841 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 9491142 AYWHRSKYFIQJFB-UHFFFAOYSA-N 435.556 2.528 0 40 IFAB COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1 9492905 BLIOSFPDTJKJAF-UHFFFAOYSA-N 427.482 2.517 0 40 IFAB COc1cc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OC 9531307 XODUPHRYWBRZQL-INIZCTEOSA-N 427.457 2.552 0 40 IFAB Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)cc1 9660647 UFEUBCCSGDFQEW-UHFFFAOYSA-N 436.418 2.832 0 40 IFAB NC(=O)c1nc(-c2cccc(Br)c2)nc2c1[nH]c(=O)n2-c1ccccc1F 9738843 GUAMNJQUCDIVEF-UHFFFAOYSA-N 428.221 2.776 0 40 IFAB COc1cc(C(=O)OCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)ccc1OC(F)F 9791427 ZUVICSPFDMRIBX-UHFFFAOYSA-N 437.355 2.538 0 40 IFAB CCOCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 10271959 SRSRBLMSTCIGBC-UHFFFAOYSA-N 443.935 2.895 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 10295912 ZTPPZAABFJLIBQ-UHFFFAOYSA-N 430.404 2.897 0 40 IFAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451202 KFEAJXLURIOYSW-UHFFFAOYSA-N 428.919 2.713 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)CCS[C@@H]2CCc3ccccc3N=C2O)cc1 11865949 LUYXVNOPFHXOBR-GOSISDBHSA-N 433.555 2.677 0 40 IFAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12258353 CTURZZVWXHJNCO-LRYXAPPNSA-N 445.585 2.886 0 40 IFAB COc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3C1=O 12896692 IKGLSQKPYQOTPN-WOLJRWFJSA-N 443.503 2.822 0 40 IFAB COc1ccc(CN[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12932753 QBQWLJSBSYVPKU-KRWDZBQOSA-N 431.558 2.987 0 40 IFAB Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=S 13069279 ODYFUJKFIMOACJ-UHFFFAOYSA-N 447.561 2.815 0 40 IFAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 13114710 CPEQNVGSIRFCLZ-UHFFFAOYSA-N 431.518 2.660 0 40 IFAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859646 JDDGDRPLPGGULX-FQEVSTJZSA-N 435.480 2.916 0 40 IFAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3c(C)cc(C)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15958447 KIYSKRKTROCGKB-DDOIHHOZSA-N 427.570 2.720 0 40 IFAB biogenic NS(=O)(=O)c1cc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cs1 18389013 XQPRPDYHCJZUMK-UHFFFAOYSA-N 444.288 2.565 0 40 IFAB Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]2c2ccccc2F)cc(=O)[nH]1 19285547 WFNJWQGXIMLWEP-ZWKOTPCHSA-N 431.464 2.928 0 40 IFAB CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)CN1Cc2ccccc2C1=O 19583453 KMRZZDYZFITHKZ-UHFFFAOYSA-N 435.503 2.523 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 20245866 DURPCOQGELCRBN-UHFFFAOYSA-N 432.546 2.710 0 40 IFAB CN1CCc2c(sc3nc(SCCN4CCOCC4)n(-c4ccccc4)c(=O)c23)C1 20391931 OJZQPIZLTHJOGW-UHFFFAOYSA-N 442.610 2.859 0 40 IFAB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1CCc1ccccc1 20566006 CJPJSMBXTYOCDO-MTXNFPGFSA-N 435.911 2.809 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C)N2CCOCC2)cc1 23107550 JWQYPLSUTQZWOI-FQEVSTJZSA-N 431.920 2.785 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)N1CCc2ccccc21 28721443 YJXURVKWOHXRBS-DEOSSOPVSA-N 429.524 2.551 0 40 IFAB Cc1nc(-c2ccc(CCNC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)s2)cs1 29439770 NPDIBSMYYLSHME-SFHVURJKSA-N 439.566 2.959 0 40 IFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1 32087455 DLMXZZLVNYORKF-OAQYLSRUSA-N 443.525 2.617 0 40 IFAB Cc1ccc(C(=O)CCC(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 32718939 QOWBIYFQVQFFRR-UHFFFAOYSA-N 437.539 2.784 0 40 IFAB CCC[C@@H](C)NC(=O)Cn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C/C(=O)C(C)(C)C 33779529 FCTPWPAFCTXGSW-GZBPYIRPSA-N 434.627 2.809 0 40 IFAB CC(=O)Nc1ccc2c(COC(=O)CCn3cnc4ccccc4c3=O)cc(=O)oc2c1 57704113 VTNXBRYWVZBGTE-UHFFFAOYSA-N 433.420 2.595 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 64986222 BFDMFCOYYKTBOP-JOCHJYFZSA-N 438.505 2.968 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCCN3CCN(c4ccccc4)CC3)n(C)n2)c1 77200783 DTBGRIQKSSGCEC-UHFFFAOYSA-N 449.555 2.656 0 40 IFAB COc1ccc(CCc2n[nH]c(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)n2)cc1OC 95473384 ZLIKGXWQSBBAKK-INIZCTEOSA-N 435.484 2.599 0 40 IFAB C[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nnc2ccccn12 95478575 GPJWAARQWQDIRL-ZDUSSCGKSA-N 433.921 2.804 0 40 IFAB COc1ccc([C@@H]2[C@H](C(=O)NCCc3cnc[nH]3)c3ccccc3C(=O)N2C)cc1OC 95478923 NYPGTDDIHZHTMF-FGZHOGPDSA-N 434.496 2.696 0 40 IFAB COc1ccc([C@@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1 95941995 GWDSRZKHERIWSU-FQEVSTJZSA-N 430.526 2.998 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(CN3C(=O)CC4(CCCCC4)C3=O)CC2)c1C 96492139 DZRRNCRXXZQOOE-UHFFFAOYSA-N 426.561 2.526 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222388543 YUPIRBBIFSWKRP-LJQANCHMSA-N 445.585 2.705 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NC[C@H]2CCCO2)s1)c1ccc(Cl)cc1Cl 225202573 VZAMKYBSZKUWDE-SECBINFHSA-N 437.330 2.555 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 225527358 BBBNMCIDFGKVSM-KRWDZBQOSA-N 446.525 2.830 0 40 IFAB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl 225858465 SKKJBLOWNACNOL-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB CNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCC[C@@H](C)C2)n1 225879241 WOVNCCVBFWTQJU-QGZVFWFLSA-N 425.606 2.956 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257274548 NLNIERPAFVALLM-KRWDZBQOSA-N 428.876 2.935 0 40 IFAB Cc1nc2cc(NC(=O)CN3C[C@@H](c4ccccc4)[C@@]4(CCCC(=O)N4)C3)ccc2n1C 257324852 WQLVVHHWLDIXKG-NBGIEHNGSA-N 431.540 2.959 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 408586884 CSMAPKRJYODPTD-OAHLLOKOSA-N 434.514 2.956 0 40 IFAB Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 408655733 LXEOVWKKQJLBMI-GOSISDBHSA-N 445.475 2.823 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)cc1 408667390 SVBBWXAPQWEXIK-UHFFFAOYSA-N 435.392 2.588 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 575614890 BKJAUYISETYLRO-FMIVXFBMSA-N 430.452 2.547 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)C1 575617008 MEVVXEVIYKHRKW-MRXNPFEDSA-N 441.532 2.602 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 2232087 BNQWFBYQJUWALC-WTGUMLROSA-N 435.867 2.946 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1(C(=O)O)CCCCC1 8723785 SEYHBWPYDJNRJD-UHFFFAOYSA-N 438.546 2.777 0 40 IFAB COc1cc(OC)cc(C(=O)NCCn2ncc3c(N4CCCC4)nc(SC)nc32)c1 8946508 JAJSOENAKAZOGF-UHFFFAOYSA-N 442.545 2.596 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2ccccc2)C(=O)[C@]31C 8952723 BXZMQZWYVUZBTK-MQNRADLISA-N 446.507 2.917 0 40 IFAB biogenic CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 9191119 LPOCXNMPVXXLNR-KRWDZBQOSA-N 429.542 2.929 0 40 IFAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1 9337356 IBCSASSREPMJKF-UHFFFAOYSA-N 431.558 2.652 0 40 IFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccc2c(c1)CCCC2 9578935 HXKMCXSJEGHJCN-UHFFFAOYSA-N 430.526 2.621 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O 9704029 JBMAICJYKHHIMY-FQEVSTJZSA-N 433.823 2.656 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)[nH]c(O)n3)ccc2Cl)c(C)c1 9713981 MXCBYCYDNWJSNT-UHFFFAOYSA-N 448.888 2.799 0 40 IFAB Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 10275794 KTASAYHOHOJIGZ-SFHVURJKSA-N 430.526 2.739 0 40 IFAB COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccc(C)cc3)CC2)c(OC)c1 11695762 IOWRKXQPUBMOQC-UHFFFAOYSA-N 435.528 2.959 0 40 IFAB O=C(COc1ccc(F)cc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11914024 ODDOMMVXVUMNHG-ZDUSSCGKSA-N 446.294 2.776 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)nn2c1O 12154105 JQPIOCLOKGWGDU-YWZLYKJASA-N 446.511 2.940 0 40 IFAB CSc1ncc(C(=O)N2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cn1 12186920 APQBVNPXNWOOOL-UHFFFAOYSA-N 426.951 2.670 0 40 IFAB C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13097278 IGHKKTQMLJVTOO-RTBURBONSA-N 427.570 2.500 0 40 IFAB O=S1(=O)C[C@H](NCCCc2ccccc2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 13371980 RDTVNQSVBBQWFT-OALUTQOASA-N 427.975 2.502 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccc(F)cc3)cc2c1 13512961 PAPMXJXPKSHAOS-IBGZPJMESA-N 446.500 2.582 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)CC1 13712460 AUWGHOAWKCNZCV-QGZVFWFLSA-N 430.954 2.686 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 15505566 YQGWDOQFYZILJD-UHFFFAOYSA-N 435.571 2.624 0 40 IFAB CC[C@@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 16388248 BBYKZNXUBXIRBA-GDBMZVCRSA-N 431.396 2.695 0 40 IFAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=S)NC(C)=O)cc1 17098002 BKRNHCQPUZJPEU-UHFFFAOYSA-N 432.527 2.664 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nn1cnc2scc(-c3ccccc3)c2c1=O 17172127 HQJKWQCXDQZDPH-HOTGVXAUSA-N 448.504 2.536 0 40 IFAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 17908833 QVPMYLJQKVQPCR-UHFFFAOYSA-N 444.431 2.741 0 40 IFAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2 18838746 TZLPFGISVSOZMK-AWEZNQCLSA-N 436.555 2.797 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc3nsnc23)c1 19077059 BJXVLDKKGYSCJR-UHFFFAOYSA-N 448.526 2.517 0 40 IFAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20611469 HJECLTDIELNFIK-MASGSYHESA-N 433.508 2.662 0 40 IFAB biogenic COc1ccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC 21670235 FWYHFYITVBULFA-ZEQRLZLVSA-N 440.540 2.661 0 40 IFAB O=C(CN1CCN(C(=O)CSc2nc3ccccc3s2)CC1)NCc1ccccc1 22599315 WGKNWRYHWJOMDC-UHFFFAOYSA-N 440.594 2.849 0 40 IFAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCN(Cc2nc3ccccc3s2)CC1 22912919 NBTAJLIBRRIZNU-IBGZPJMESA-N 435.553 2.535 0 40 IFAB Cc1nn(Cn2ccc(C(=O)NCc3ccc4c(c3)OCO4)n2)c(C)c1Br 27973762 VDTLIKGOWBRBLF-UHFFFAOYSA-N 432.278 2.623 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc1 28207993 POITUCVJZGEXMY-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB CCn1c(SCc2ccc(OC)c(OC)c2)nnc(Nc2ccc(C(N)=O)cc2)c1=O 28538609 PJMUSFFJFRGZSH-UHFFFAOYSA-N 441.513 2.810 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O 31495860 TXDZFLLPGZMCMP-WNSKOXEYSA-N 426.517 2.889 0 40 IFAB CCOc1c(Cl)cc(C(=O)N2CSC[C@H]2C(=O)NCC(F)(F)F)cc1OC 32833953 NJGJMMIQQCGYNF-NSHDSACASA-N 426.844 2.941 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2)CC1 35436206 RIAYWXLTCHOOSW-UHFFFAOYSA-N 431.602 2.569 0 40 IFAB Cc1ccc(CN(C[C@H]2CCCO2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)o1 36360617 BFVKOKVWNHWXPK-GOSISDBHSA-N 431.510 2.909 0 40 IFAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@H]3C)C1=O)O[C@H](C)C2 36384444 MJKFMUXNDIJRQZ-WBPRFABPSA-N 429.517 2.526 0 40 IFAB C[C@@H](NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 36450892 ILTPGDMTGGGGPU-UZUQRXQVSA-N 449.507 2.594 0 40 IFAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cc(OC)ccc2C)CC(=O)N3)cc1 40399955 WDQVQUUIVASTTF-INIZCTEOSA-N 449.467 2.904 0 40 IFAB O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCN2CCCC[C@H]12 41098182 OHJDMSVVJURXPW-VQIMIIECSA-N 427.998 2.779 0 40 IFAB biogenic CCOc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3[nH]ncc3c2=O)cc1 51316555 WABYSVCUMZRKAG-UHFFFAOYSA-N 428.499 2.695 0 40 IFAB COc1ccc(NC(=O)C[C@@H](CN2CCN(c3cccc(OC)c3)CC2)C(=O)O)cc1 71283740 MMLXLMXEKVLOHN-KRWDZBQOSA-N 427.501 2.555 0 40 IFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccccc1S(=O)(=O)C(F)F 96098360 XFSAQXNNXZGMCY-UHFFFAOYSA-N 444.481 2.784 0 40 IFAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 96115863 RSNDGOLBVFDOEM-FQEVSTJZSA-N 433.512 2.923 0 40 IFAB biogenic COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1n[nH]c(CCc3ccccc3)n1)C=C2 96118178 MVHPNYQBAWFALD-UHFFFAOYSA-N 447.495 2.601 0 40 IFAB CN1C(=O)[C@](O)(CC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c2ccccc21 101406212 OTFKXOZYJSBULY-GAKIBJFNSA-N 432.476 2.803 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1C 216443571 QBIHDBGWNGSPQW-SFHVURJKSA-N 426.542 2.960 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1cccc(C(F)(F)F)c1 223662051 XEEBNMJUFYORJR-UHFFFAOYSA-N 430.448 2.804 0 40 IFAB CCN(Cc1ccc(C(=O)NCCCN(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 224466622 PWBYMKOJIBENKK-UHFFFAOYSA-N 433.574 2.588 0 40 IFAB COc1cccc(N2CCN(C3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)CC2)c1 244975254 IIGMXHOLBDQBJK-XMMPIXPASA-N 437.540 2.648 0 40 IFAB CN1CCN(C(=O)C[C@H]2CN(C(=O)CC3CC3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 257204228 ATQAWGBZMXUAJK-RXVVDRJESA-N 433.980 2.900 0 40 IFAB Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)[C@@H]3Cc2ccccc2)c(=O)n1 257266474 MDEFRSYAHLKIFB-KDHQNNTKSA-N 434.584 2.945 0 40 IFAB COc1cccc(N([C@H](C)C(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c1 260897455 MCIHQUSUEJGYIG-GOSISDBHSA-N 445.585 2.762 0 40 IFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 408532221 NNOWQNOXZOJUGG-UHFFFAOYSA-N 434.514 2.959 0 40 IFAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1OC 408585342 FCIMHUIRBCCYRE-UHFFFAOYSA-N 437.493 2.914 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1OCC 408739218 UHRDINUSYBCOEX-LVSKKATPSA-N 438.505 2.790 0 40 IFAB COc1cccc(CN2CC3(C2)[C@@H](C(=O)N2CCCC2)c2ccccc2C(=O)N3C(C)C)n1 1549166572 GGDOQPGPHJSKQD-HSZRJFAPSA-N 448.567 2.915 0 40 IFAB O=S(=O)(c1cccnc1OCC(F)F)N1CCc2c(ncn2-c2ccc(F)cc2)C1 1561455241 SCEJAIWGUZFMLW-UHFFFAOYSA-N 438.431 2.797 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCCN(c3ccc4nnc(C5CCC5)n4n3)CC2)c1 1888913121 RTOPMSBHRSNWIU-UHFFFAOYSA-N 436.516 2.762 0 40 IFAB CCOC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 2622167 UTZHJFUNWVRVGU-UHFFFAOYSA-N 431.448 2.985 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 3374256 UETZZRRQIBBDKM-UHFFFAOYSA-N 437.934 2.514 0 40 IFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC)c3)cc2)CC1 4121639 YCFDBMQLFFWLFX-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)N[C@H](C)c2ccccc2)C(C)C)c1 8691234 PYEKAIRCTGCVQW-ZHRRBRCNSA-N 442.512 2.879 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8723507 WFKFFHNLSQPBAJ-CYBMUJFWSA-N 431.539 2.972 0 40 IFAB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9070606 VSDZQUZKNFIAQN-VIFPVBQESA-N 426.416 2.954 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9509499 TXVAOAYRVPZBLL-LPHOPBHVSA-N 436.574 2.944 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 9514715 JAUPHXOFFPEHPI-STQMWFEESA-N 433.559 2.985 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 9618700 FXOKTESUYPDVPG-MRXNPFEDSA-N 445.516 2.757 0 40 IFAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nc2cc(S(N)(=O)=O)ccc21 9670051 MWPJFYBNWMIHGM-JTQLQIEISA-N 439.950 2.871 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1 9744367 SYQJDHPDDSSWCY-SFHVURJKSA-N 433.505 2.514 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)c2ccc(F)cc2)c(=O)[nH]c(=O)n1Cc1ccccc1 9796526 KVNFCMPANJYSOM-UHFFFAOYSA-N 434.427 2.746 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(C)c(C)c3)n2)cc1 9844736 NXDMPNUCYMKLNM-UHFFFAOYSA-N 427.526 2.904 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COCc2nc3ccccc3s2)C1=O 9870200 LFNKVWJJZZIJET-JOCHJYFZSA-N 438.509 2.787 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1 10186730 LTXMBLJFYHHYLS-UHFFFAOYSA-N 449.536 2.865 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCCC3)cc2)cc1 10450143 DBOOVOXJQOUMLQ-UHFFFAOYSA-N 431.558 2.736 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1c(F)cccc1Cl 10543718 FDSPTBWGFGHJKT-UHFFFAOYSA-N 432.926 2.622 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(Cl)cc3)nnc1n2Cc1ccc(F)cc1 10969077 ZJKVPOXHCOLNDJ-UHFFFAOYSA-N 438.850 2.589 0 40 IFAB Cc1cc(-c2cnc(C)nc2C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)on1 12127740 WCWWPCCYJFFQOX-UHFFFAOYSA-N 449.511 2.973 0 40 IFAB Cc1nc2cc([C@@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c(O)c1F 12161897 LLVIAKPRXOLGQH-KRWDZBQOSA-N 446.504 2.582 0 40 IFAB COc1ccc(C[C@@H]2CC[C@@H](CCC(=O)N[C@@H]3CN4[C@@H](C(=O)O)C(C)(C)S[C@H]34)O2)cc1 12296285 VDDXUGGVJSQYDR-GCGJSEPQSA-N 448.585 2.671 0 40 IFAB biogenic COc1ccc(COC[C@@H](O)CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC 12553559 YBEGXPJEDNZIKW-FQEVSTJZSA-N 446.519 2.745 0 40 IFAB CC(=O)Nc1ccc2c(c1)OCCOCCOc1cc(NC(C)=O)ccc1OCCO2 13136814 NKJAIYNYGWCZQV-UHFFFAOYSA-N 430.457 2.849 0 40 IFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1 16594332 HFKNSWOYMXGRSN-FQEVSTJZSA-N 443.569 2.709 0 40 IFAB Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)C3CCN(C(=O)C4CC4)CC3)C2=O)cc1 17061314 IHDRGQGKEFYGJI-RGEXLXHISA-N 441.553 2.796 0 40 IFAB CC(C)(C)c1ncc(C(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)cn1 19084775 LSBHINVUYROXJK-AWEZNQCLSA-N 427.530 2.648 0 40 IFAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(F)cc2)cc(=O)[nH]1 19285181 LIXDQWBFOHWRHE-FQEVSTJZSA-N 426.473 2.961 0 40 IFAB Cc1nn(CC(=O)N2CC[C@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c(C)c1C 19556384 VQLDMXSZSNDQEA-RUZDIDTESA-N 431.540 2.817 0 40 IFAB COCCC(=O)N1CCC(c2nc([C@H]3CCCN(Cc4ccsc4)C3)cc(=O)[nH]2)CC1 19593108 PETYYABMWKJZPP-IBGZPJMESA-N 444.601 2.954 0 40 IFAB O=C(Cn1cccnc1=O)N1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 19704612 ZABUNTZGEXKHIF-AWEZNQCLSA-N 447.417 2.580 0 40 IFAB Cc1nn2c([C@H]3CN(C(=O)COc4ccccc4)CCO3)ccnc2c1Cn1ccnc1C 19707594 WKFBNQAUAOAVNM-JOCHJYFZSA-N 446.511 2.570 0 40 IFAB Cn1cnc(S(=O)(=O)N2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccc(F)cc2)c1 19713431 ZOFSXJRMXQHQOD-WIYYLYMNSA-N 434.537 2.684 0 40 IFAB COc1ccc(N2C(=O)CN([C@H](C)c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 19797492 UUHFXNWBWIZQCG-MDASCCDHSA-N 434.945 2.924 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)c1 20036433 HNZRHIJWPXRCCK-VCHYOVAHSA-N 432.436 2.566 0 40 IFAB COc1ccc([C@@H]2N=C3NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC 20101757 XBEFSQNRRQJJJP-HTAPYJJXSA-N 448.527 2.776 0 40 IFAB COc1ccc([C@@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC 20191916 AUNVLATUOFSGJT-FCHUYYIVSA-N 446.569 2.722 0 40 IFAB O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 20323453 SERNOVFFGYVYMA-UHFFFAOYSA-N 427.302 2.615 0 40 IFAB COc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc(OC)c1OC 21173105 QULXQXIOTSLABG-CYBMUJFWSA-N 431.441 2.518 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)Cc1ccc(Cl)cc1 22517670 MYSZLVUZLVLVEY-UHFFFAOYSA-N 432.951 2.977 0 40 IFAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 24615628 HARROXBYVNUNCD-UHFFFAOYSA-N 430.888 2.727 0 40 IFAB COc1ccc(OC)c([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c1 31806781 QDSLVSSWSCCSFF-KRWDZBQOSA-N 437.485 2.639 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32715884 WFUOONTTZSVNSG-QFIPXVFZSA-N 441.597 3.000 0 40 IFAB COc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3nc(C)cs3)n(C)c2c(OC)c1OC 35686253 NGYYVERTOYVIJY-LLVKDONJSA-N 432.502 2.726 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ncnc4c3cnn4C)c3c(C)nn(C)c3n2)cc1 36616308 ALGPZYVXSLXPJX-UHFFFAOYSA-N 428.456 2.881 0 40 IFAB O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1Cc1nc(-c2ccc(F)cc2)no1 38486750 YDNHJJOMGHAJFN-UHFFFAOYSA-N 437.822 2.927 0 40 IFAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCn1ccnc1)CO3 39950524 NGYHOOIKFZUCHN-UHFFFAOYSA-N 431.876 2.909 0 40 IFAB COCc1nnc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)s1 40266857 QGJQWYYQDJKLOV-UHFFFAOYSA-N 425.561 2.978 0 40 IFAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 44840679 ODNOSMXDRKVZQW-AWEZNQCLSA-N 441.484 2.799 0 40 IFAB CC[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856898 GMWGFYDAMZESPY-OXQOHEQNSA-N 448.541 2.888 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)C[C@@H]2C(=O)Nc2cc(OC)ccc2OC)c1 79067351 HRAQNMAZLYFQLT-IRXDYDNUSA-N 442.468 2.894 0 40 IFAB O=C(NCC1(C2CC2)CC1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 89811846 VHXFDZNSKRGSFE-UHFFFAOYSA-N 426.498 2.577 0 40 IFAB CCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103389837 JXUBNYDFTNBUGI-DSJMHWKBSA-N 436.603 2.737 0 40 IFAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCC(=O)N1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108149454 MIJDJSHUMSGRNQ-LLTZGFESSA-N 429.605 2.816 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 216352653 BOLUCNGFXZOVSL-UHFFFAOYSA-N 448.497 2.726 0 40 IFAB COC(=O)c1cc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)ccc1Cl 223082388 WMLOEAAJCWGGGL-UHFFFAOYSA-N 428.869 2.666 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223522053 QFTMFJGISGOSQC-LJQANCHMSA-N 445.585 2.623 0 40 IFAB COc1ccccc1[C@H]1CCN(CC(=O)N2[C@H]3CC[C@H]2c2snnc2C3)[C@H](C)C1=O 247949792 JROZTJHXSVBCKJ-KKBFJZEXSA-N 426.542 2.582 0 40 IFAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257216318 CTZMUDIXYJUCNI-CZYKHXBRSA-N 425.529 2.914 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)n1 257245329 IOZWGFUCVBSNHD-IBGZPJMESA-N 445.907 2.909 0 40 IFAB Cc1ccc(F)c(CN2CCN3CCn4c(C(=O)NCc5cccs5)nnc4[C@H]3C2)c1 306124885 CBIBKMBCRHGMJC-LJQANCHMSA-N 440.548 2.590 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408551726 ILOBVCWEISPPNJ-UHFFFAOYSA-N 438.267 2.864 0 40 IFAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cccc([C@@]5(C)NC(=O)NC5=O)c4)C3)[nH]c2c1 532650488 OOXCBNDNESSIEL-VOIUYBSRSA-N 431.496 2.946 0 40 IFAB C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2)C1 557985971 RAYKBWUAWVTFRQ-CVZAHLFVSA-N 431.552 2.699 0 40 IFAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2cncnc2N(C)C)C1 585269589 AEIBEZOKWZTFCX-RUZDIDTESA-N 448.571 2.590 0 40 IFAB COCC(=O)Oc1ccc(-c2coc3cc(OC)cc(OC(=O)COC)c3c2=O)cc1 2060993404 HKIQWPNTBGHTHO-UHFFFAOYSA-N 428.393 2.572 0 40 IFAB Cc1cc(C)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c(C)c1 932519 WGXWVFBWPZFIFZ-UHFFFAOYSA-N 429.546 2.671 0 40 IFAB Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 1287897 PWXZQGYLQVTBQU-UHFFFAOYSA-N 446.294 2.763 0 40 IFAB CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)CCC(=O)NC[C@H]1CCCO1 6600278 JUXPMBFXZHIROH-MRXNPFEDSA-N 447.532 2.846 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)CSc2ccccc21 8754794 RWXNQZFNGWBRRN-UHFFFAOYSA-N 448.342 2.951 0 40 IFAB Cc1ccc2nc(COC(=O)/C=C/c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)cn2c1 8778624 SHCBBXWHRNINIE-MQDFFIGUSA-N 448.932 2.917 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 8893190 XCVSLGHYRQGYBN-SFHVURJKSA-N 429.542 2.827 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 8921263 AUGSMCADSQQDSH-FUHWJXTLSA-N 427.844 2.646 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1 9305980 RKLLNHCABUBPMS-JKSUJKDBSA-N 449.960 2.884 0 40 IFAB CCOC(=O)c1c(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)sc2c1CCCC2 9431660 ZSWSTWFQKGXRGH-UHFFFAOYSA-N 443.934 2.903 0 40 IFAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C 9463222 CBQRSKMWUASQDA-UHFFFAOYSA-N 445.570 2.811 0 40 IFAB O=C(COC(=O)/C=C/c1cc(Br)ccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 9465690 DMEYMAVENQBYNG-LZCJLJQNSA-N 434.221 2.953 0 40 IFAB NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)n2)cc1 9544635 FJEQBQZEESXMRD-UHFFFAOYSA-N 434.456 2.509 0 40 IFAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 9913602 QRUPKZGSRMNUOR-UHFFFAOYSA-N 436.555 2.927 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 11665884 FGFJNRLVOMUPBQ-UHFFFAOYSA-N 447.474 2.711 0 40 IFAB CC(C)C[C@@H](C(=O)O[C@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 11677996 JKDGEPBEDYKLLP-LMCOJAPRSA-N 426.513 2.600 0 40 IFAB Cc1c(CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)c(=O)oc2c(C)c(O)ccc12 11865401 TYXJXETWIBYAQJ-GOSISDBHSA-N 425.437 2.566 0 40 IFAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1Cl 11904997 WLMWMHPGOHBYRP-GFCCVEGCSA-N 428.919 2.762 0 40 IFAB COc1ccccc1O[C@H](C)C(=O)N1CCC(c2cc(O)nc(-c3cnccn3)n2)CC1 12219678 MUJRPAYDKQNJFB-OAHLLOKOSA-N 435.484 2.821 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc2c(c1)OCO2 12233179 JEJBJHLNYHTPNF-OAHLLOKOSA-N 447.476 2.987 0 40 IFAB CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(c2cc(OC)c(OC)c(OC)c2)O1 12411589 SZTBWNDSGDMDQS-SFHVURJKSA-N 447.410 2.619 0 40 IFAB Cc1cc(NC(=O)c2ccccc2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 12444311 BIBSKOVVSOTGHJ-UHFFFAOYSA-N 429.415 2.994 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCCC2=O)c1 12544873 MKVMYEDXGUTSDS-UHFFFAOYSA-N 445.541 2.547 0 40 IFAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3cccc4cc(C)cnc34)cc2)CC1 12596773 DQDTVEDNVDKFGP-UHFFFAOYSA-N 425.510 2.979 0 40 IFAB Cc1ccc2nc(C)cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1 12775375 LYCCIVWTDITRKN-UHFFFAOYSA-N 439.537 2.803 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 12781882 VGUKZUGRZRLCNB-UHFFFAOYSA-N 429.542 2.765 0 40 IFAB COc1ccc(-c2nnc(S)n2CC(=O)NCC(=O)Nc2c(C)cccc2C)cc1 12805727 XMAQAQZXUDDEEU-UHFFFAOYSA-N 425.514 2.614 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1C 12982596 PWHNMFSJULETFA-FQEVSTJZSA-N 433.574 2.908 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5c(F)cccc5F)CC4)ncnc32)cc1 13036860 IUCSYGSSEOIFFW-UHFFFAOYSA-N 435.438 2.760 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc(Cl)cc1 13041133 YSZXSLMUZXTOIN-OAHLLOKOSA-N 439.940 2.663 0 40 IFAB CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 13564176 LCXFGFWGWCQGAT-ZHZULCJRSA-N 429.879 2.941 0 40 IFAB COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)NCCCn2ccnc2)cc1OC 15913012 RGSPKAVJVMGTJV-LGMDPLHJSA-N 440.525 2.939 0 40 IFAB COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)nc2O)cc1 16840680 PVKYPRYFOAAHJG-UHFFFAOYSA-N 431.495 2.754 0 40 IFAB CC(C)Sc1ccc2nn(CC(=O)Nc3ccc(Br)cc3F)c(=O)n2n1 16844543 CJLHUORPCMEMCM-UHFFFAOYSA-N 440.298 2.932 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)N2CCCN32)c1 19170442 NEQYFFVJHRIPRS-QRVBRYPASA-N 442.313 2.993 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(c4nnc5n4CCCCC5)CC3)ccc21 19524263 KFJYUHMEJISRKK-UHFFFAOYSA-N 445.545 2.501 0 40 IFAB CN1CCC(O)(Cn2nc(-c3cccnc3)c3ccc(NC(=O)[C@H]4CCCO4)cc32)CC1 19588053 JDAKIDFCGRJSJG-OAQYLSRUSA-N 435.528 2.673 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCO1 19705477 PZMADIXAULLFPM-QGZVFWFLSA-N 439.493 2.641 0 40 IFAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 20457503 WPAKOZXWMWYXNT-INIZCTEOSA-N 448.541 2.524 0 40 IFAB CCOC(=O)c1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1Cl 20489447 ZSKNSGAGHBEBGI-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB Cc1ccc(C)c(N2CCN(S(=O)(=O)c3c(C)nc4sc(C)cn4c3=O)CC2)c1 20921781 GDSMAVSCGGIBNO-UHFFFAOYSA-N 432.571 2.501 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 22334501 OWVXBCPKJCHVEP-UHFFFAOYSA-N 430.448 2.975 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@H](c1ccco1)N1CCCC1 27336244 PAHPPURGXCMPJB-OAHLLOKOSA-N 436.438 2.849 0 40 IFAB CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@H](c2ccccc2)C1 30029023 RPQHQFJRDLXFRO-QFIPXVFZSA-N 427.570 2.990 0 40 IFAB COc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1OC 30752959 IAEWNALXRCFHGH-UHFFFAOYSA-N 432.542 2.902 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 30952994 IUEXMPLSSYQIEJ-CQSZACIVSA-N 430.844 2.661 0 40 IFAB CN1N=C(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCC1=O 32214514 JYSYHONCWWVSBP-UHFFFAOYSA-N 426.467 2.807 0 40 IFAB CCOC(=O)C1=C(CSc2nncn2Cc2ccco2)NC(=O)N[C@H]1c1cccs1 32869310 FIBHQJJXJPXKPR-INIZCTEOSA-N 445.526 2.944 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)CN3CCN(S(=O)(=O)c4cccs4)CC3)c2C)no1 35380067 PCSYEIZSYVBRAV-UHFFFAOYSA-N 448.570 2.641 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 36569598 WKJPWCYMCSOQII-PXNSSMCTSA-N 438.509 2.989 0 40 IFAB CCc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1 57316137 CXMBLAROPGKFBR-UHFFFAOYSA-N 440.569 2.914 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)CC2)cc1 58137972 SZIWGSKMWTYMAZ-UHFFFAOYSA-N 449.960 2.707 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 69950982 PAWHUMRFLYROLU-UHFFFAOYSA-N 431.489 2.708 0 40 IFAB CN(C)C(=O)c1nnn(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)n1 71000103 YTJSJRPCUYQDQH-UHFFFAOYSA-N 435.271 2.688 0 40 IFAB COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cn5cccnc5n4)C3)n[nH]2)cc1 72371694 WNOMFMXHJXYDCC-INIZCTEOSA-N 432.484 2.712 0 40 IFAB O=C(NCC[C@H](O)c1cccc2ccccc12)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 77118852 KMILULAQYVRRPM-QFIPXVFZSA-N 443.503 2.854 0 40 IFAB COC(=O)c1sc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)nc1C 79192817 CUCPEPRTPKCZLE-UHFFFAOYSA-N 432.454 2.851 0 40 IFAB biogenic COC(=O)[C@H]1CCCC[C@@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 95444035 XEOMURKUNOTBDR-WZONZLPQSA-N 427.501 2.860 0 40 IFAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 96114291 SKDUEZUTJOXQBI-AWEZNQCLSA-N 436.449 2.618 0 40 IFAB biogenic Cn1/c(=N/S(=O)(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc21 100380126 ZRXATGJHZBPJSG-MRCUWXFGSA-N 427.507 2.506 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 100890821 BYJIJEYTAYEKQH-QZTJIDSGSA-N 427.848 2.589 0 40 IFAB Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(N)=O)CC3=O)cc2)ccc1Br 166479848 HDTWPATWTVYTBK-ZDUSSCGKSA-N 446.301 2.613 0 40 IFAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 219221987 QMZWZNHXVDJSRQ-UHFFFAOYSA-N 426.498 2.993 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(N2CCCC2=O)c1 223071736 ZVHQOPFQRNFFDE-UHFFFAOYSA-N 431.514 2.761 0 40 IFAB CC(C)CSc1nnc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)s1 223313371 PTZZVCPBFNIXCZ-AWEZNQCLSA-N 442.588 2.842 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)c(Cl)cc21 223360844 MYVDXAMUHMQDRE-UHFFFAOYSA-N 440.905 2.806 0 40 IFAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 223586145 MLWZTPBZWRNMOF-UHFFFAOYSA-N 430.486 2.914 0 40 IFAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 223604686 MWOWLRNCXWOSSX-UHFFFAOYSA-N 426.498 2.993 0 40 IFAB CCc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)cc1 224603560 ZFSDOQAJPYEYJG-UHFFFAOYSA-N 429.586 2.927 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224817384 ISOSZLAIFMISCV-UHFFFAOYSA-N 439.486 2.723 0 40 IFAB CCCC[C@@H](CC)CNC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 225118134 XABOYZBYDKLZQQ-GOSISDBHSA-N 440.606 2.981 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)n2)c1 225566523 PTCMSDDQLMJDTI-IBGZPJMESA-N 428.514 2.636 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 225862456 FIKBARHQHQFKSZ-AWEZNQCLSA-N 425.510 2.930 0 40 IFAB COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(F)cc3F)CC2)c(OC)c1 225928053 ACRPBVBIHNUPHT-UHFFFAOYSA-N 426.441 2.573 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 253601853 FXGCNPNVFBQWKA-VMMOAZFZSA-N 442.556 2.809 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2cccs2)cc1 257320419 VWSDTBUUMSICAL-SFHVURJKSA-N 444.582 2.829 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)Cn2nc(C)nc2C)CC1 257328023 XDUSQHJEMGURKX-WKILWMFISA-N 440.573 2.954 0 40 IFAB COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl 408591722 KAJNYDUSDKYBTQ-GFCCVEGCSA-N 442.921 2.980 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408661117 LZLOZGMWNFGKBH-LSLOVBDISA-N 439.295 2.896 0 40 IFAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 409074555 MWLSOKUMEYQWBV-OPYOOOJUSA-N 444.259 2.510 0 40 IFAB Cc1cc(OCC2(O)CCN(C3CCN(S(C)(=O)=O)CC3)CC2)cc(C)c1Cl 585282202 ZLPYDMTXIOKYSN-UHFFFAOYSA-N 430.998 2.587 0 40 IFAB Cc1ccc(-n2nc(C(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)c3c2CCC3)cc1 1115937494 NTZWGPHDYQFPHD-VWLOTQADSA-N 443.507 2.654 0 40 IFAB Cc1ccc([C@@H](CC(F)(F)F)NS(=O)(=O)c2cnc3nc(O)nc(O)c3c2)cc1 1662625212 GINBYLMKDUBJCK-CYBMUJFWSA-N 428.392 2.716 0 40 IFAB COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)COc3ccccc32)cc1OC 1361634 CKUQSDRZKMUIRQ-SFHVURJKSA-N 440.496 2.637 0 40 IFAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ccccc2)CC1 2648255 DWONEVWHIKQWBE-UHFFFAOYSA-N 425.510 2.721 0 40 IFAB COc1cc(OC)c2c(C)c(CC(=O)NCc3ccc(OC)c(OC)c3)c(=O)oc2c1 8751922 QBQRKCNJKOIXSB-UHFFFAOYSA-N 427.453 2.995 0 40 IFAB biogenic Cc1nc(S[C@@H](C)C(=O)NCC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8769393 XXHLQCYVTSYMHL-AWEZNQCLSA-N 447.605 2.632 0 40 IFAB COc1cccc2s/c(=N/C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n(C)c12 8841010 XYBCBMJCUIBBIM-YWBAYFEHSA-N 445.566 2.837 0 40 IFAB COc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)cc1 9060539 UJURJIFMAHYYPL-LJQANCHMSA-N 445.497 2.609 0 40 IFAB CCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 9125985 DEPPKTZRFFHZLI-QHCPKHFHSA-N 437.452 2.804 0 40 IFAB O=C1CN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)C2(CCCCC2)C(=O)N1 9385122 HSBFVRPDBHDLIZ-UHFFFAOYSA-N 434.905 2.670 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1ccccc1OC 9761791 JKYWQOGXDAJDHF-UHFFFAOYSA-N 437.452 2.744 0 40 IFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)cc1 9823422 PCDJWODIEGMPBL-HXUWFJFHSA-N 430.302 2.841 0 40 IFAB Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 9860621 MHEKEANIQYUDEJ-MOPGFXCFSA-N 429.567 2.648 0 40 IFAB Cc1ccc(NC(SCC(=O)N2CCCC[C@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973895 GAYITKICZOSCEX-OAHLLOKOSA-N 444.557 2.803 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCCOc3ccccc3)cc2)C[C@@H](C)O1 11085929 CXLJJRZYIWRXOT-QZTJIDSGSA-N 432.542 2.683 0 40 IFAB COc1cccc(NC(=O)NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1 11562752 AQXVGUFZWGHRKU-UHFFFAOYSA-N 446.529 2.628 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c(c1=O)S[C@H](C)C2 11726520 QDNKSBHEHASARV-SNVBAGLBSA-N 427.498 2.935 0 40 IFAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2nccn2C)C1 12087524 GRBBPKCHVIHZAE-YADARESESA-N 437.544 2.557 0 40 IFAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccncc2)CC1 12791607 DNCQTDBUSQQIGZ-UHFFFAOYSA-N 425.492 2.802 0 40 IFAB O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12852851 SSTQVGTUDKDVLS-UHFFFAOYSA-N 440.525 2.600 0 40 IFAB CCN(C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12922258 XKQIPHUQYLOMRB-ZRDIBKRKSA-N 430.526 2.782 0 40 IFAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2cccs2)CC1 13127946 UGEDKASLTRWSDR-UHFFFAOYSA-N 449.583 2.881 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Br)c1 13580974 WAZFWXXEAKHRCK-UHFFFAOYSA-N 431.283 2.856 0 40 IFAB Cc1nnc2ccc(OCCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)nn12 13846173 KMISBBKMTHUAMK-UHFFFAOYSA-N 425.470 2.582 0 40 IFAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccnn1Cc1ccccc1Cl 14643751 VFNGDOHFFJJCKG-UHFFFAOYSA-N 449.898 2.595 0 40 IFAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14933282 LIVFLXICHJOTLK-IBGZPJMESA-N 438.553 2.742 0 40 IFAB Cc1c(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2O)c(=O)n(-c2ccccc2)n1C 15565489 XJUBIDUSMZQRQI-HNNXBMFYSA-N 440.525 2.889 0 40 IFAB CSCC[C@H]1N[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15956614 HZUZNQSIBXXFOD-PRHHBONVSA-N 427.570 2.720 0 40 IFAB biogenic COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 16045427 PGDPJKNMADOCOZ-PMACEKPBSA-N 443.569 2.551 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccccc2)c2ccco2)cc1 17043245 MQTHDXHSKKKRCU-HXUWFJFHSA-N 426.494 2.536 0 40 IFAB COc1ccccc1[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nccn1C 17591297 VUQZFFTZIATHDI-HXUWFJFHSA-N 427.530 2.810 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 18073305 YLERRUZUBQYBFY-UHFFFAOYSA-N 432.432 2.820 0 40 IFAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1ncc(C(=O)N2CCOCC2)c(C)n1 19755697 VKNCWBHYQIORDE-FQEVSTJZSA-N 438.528 2.562 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1C 20008623 PIWVUYRYQBJPBJ-NRFANRHFSA-N 439.537 2.605 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 20016545 BLGHFZATNFBXBY-GOSISDBHSA-N 432.542 2.729 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccccc2)Oc2ccc(Cl)cc21 20040141 UUAYIZNXFMECBK-SFHVURJKSA-N 440.974 2.917 0 40 IFAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 24753421 NZWLAFQQXBGREO-MCMMXHMISA-N 437.477 2.532 0 40 IFAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cc(=O)n2cc(Cl)ccc2n1 28082388 SAUJMEJPXNQFBR-UHFFFAOYSA-N 438.871 2.808 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2O1 32772539 GDTDJMBHYTVDPF-FQEVSTJZSA-N 441.915 2.732 0 40 IFAB CN(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 32989047 YFYBDRIMYPRXSG-QGZVFWFLSA-N 443.491 2.793 0 40 IFAB CCOc1ccc2c(c1)C=C(C(=O)N1CCc3cc(S(=O)(=O)N(C)C)ccc31)CO2 40131927 QSEBDBDRLIPIAV-UHFFFAOYSA-N 428.510 2.701 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409210 SSUMPQIAFFFXBE-UHFFFAOYSA-N 431.558 2.923 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318439 FUGKMBCGSIMEQA-QHCPKHFHSA-N 434.540 2.907 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1CC 57585936 AYRZSPSDYXEGOS-SJLPKXTDSA-N 429.517 2.893 0 40 IFAB CCOC(=O)C[C@H](c1cc(Br)ccc1OC)c1oc(CO)cc(=O)c1O 71279379 IMJQOZKIGAAFTA-CYBMUJFWSA-N 427.247 2.694 0 40 IFAB CCSc1ncc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cn1 72340636 BWFLNNMXGOJCDL-HXUWFJFHSA-N 442.564 2.865 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)CCc4nc(C)no4)C3)c2)cn1 72353781 GZCRLRSTXSMFBZ-SFHVURJKSA-N 448.527 2.842 0 40 IFAB Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H](C)C(=O)N3CCCCC3)CC2)cc1 95482656 CWZXEKCVSLOCHL-HDYDNRTBSA-N 449.617 2.597 0 40 IFAB Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 96056138 RANYLBNDGJDBCY-YKSBVNFPSA-N 438.576 2.563 0 40 IFAB CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn23)CC1 96156034 SXXSRQQTEKKYKZ-UHFFFAOYSA-N 434.544 2.547 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 97113297 DPASMOBLHWCYJW-NRFANRHFSA-N 446.569 2.614 0 40 IFAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104010538 PSWBNFCDLVFUFQ-JYJNAYRXSA-N 434.496 2.563 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1Cl 219669801 VDJBHFBKMIOIKR-UHFFFAOYSA-N 436.873 2.690 0 40 IFAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c2ccccc12 222583774 ZBBJIUAGGAEBGP-AWEZNQCLSA-N 430.482 2.931 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225562828 PTLVBCOGCOXZRG-UHFFFAOYSA-N 447.492 2.974 0 40 IFAB CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CN)NC(=O)OC(C)(C)C 242522199 ILUHTTGVUNWCNK-VBQJREDUSA-N 433.368 2.572 0 40 IFAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccc(F)c3)[C@H]2C1 248010268 DKKXFFQNPBTVFF-AXHNFQJDSA-N 427.929 2.829 0 40 IFAB COc1cc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)ccc1OC(C)=O 254438585 AYALBCPHJURVFS-UHFFFAOYSA-N 427.869 2.953 0 40 IFAB COc1ccc(F)cc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 257232189 GJTSZHZWWNFCDB-HFMPRLQTSA-N 428.504 2.942 0 40 IFAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 260917304 CYAPSQHRZRWRSW-CVEARBPZSA-N 444.553 2.978 0 40 IFAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409059990 UBCZUARZSZEQJG-VNGKGULCSA-O 448.474 2.859 0 40 IFAB CCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)C1=O 409239241 OYQIDZCVAGDPAX-BJMVGYQFSA-N 448.067 2.588 0 40 IFAB Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)cc4)C3)CC2)c1 585284943 BCXKTSQZNJMXKX-RUZDIDTESA-N 444.547 2.608 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)cnc2c1 1889292230 HMQJMKGCJMRUST-UHFFFAOYSA-N 445.516 2.954 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CC3(C[C@@H](N4CCC(C)CC4)CS3)C2)c1 2056223647 XSPVJKPQWYXAFN-MRXNPFEDSA-N 426.604 2.684 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 3449412 FIRFILHRWJYCLF-UHFFFAOYSA-N 448.504 2.888 0 40 IFAB CC(C)[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCCCO2 8276210 CPGMJRMUMVVZQW-HXUWFJFHSA-N 429.517 2.916 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)nc(SC)n(-c2ccccc2)c1=O 8716822 PZOIGTNQDGOEBY-MRXNPFEDSA-N 426.450 2.937 0 40 IFAB Cc1nc(SCC(=O)c2ccc3c(c2)CCC3)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8719663 NPDQILMSDWPYNY-UHFFFAOYSA-N 438.553 2.918 0 40 IFAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC[C@H]2CCCO2)s1 8912402 UZOLIFVOURAECB-CYBMUJFWSA-N 430.573 2.669 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)cc1 9289750 SQHGAWSFEPXINV-UHFFFAOYSA-N 443.558 2.764 0 40 IFAB CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1F 9392339 RDOPHQVGTPBUTE-SFHVURJKSA-N 425.507 2.698 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C2CC2)cc1 9413854 NVMPDNCZRYRWKO-HSZRJFAPSA-N 425.460 2.793 0 40 IFAB CC(C)n1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2ccccc21 9508415 NMZZKAMYUNZBNJ-UHFFFAOYSA-N 432.571 2.716 0 40 IFAB CC(=O)Nc1nc(SCC(=O)NC2CCCCC2)[nH]c(=O)c1NC(=O)c1cccs1 9518275 KVGCSAVNAYFZLO-UHFFFAOYSA-N 449.558 2.583 0 40 IFAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N[C@H]1CCS(=O)(=O)C1 9575746 XCJXYIKVYVMTHJ-HNNXBMFYSA-N 447.896 2.796 0 40 IFAB C[C@H]1Cc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2N1S(C)(=O)=O 9642282 MCPPREDRQSQFHK-KRWDZBQOSA-N 447.601 2.652 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 10026263 BXAIMLADVNIBNJ-GOSISDBHSA-N 446.507 2.930 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 10542588 LZSWKTYQOFCBTD-QGZVFWFLSA-N 439.537 2.836 0 40 IFAB O=C(COC(=O)c1ccccc1NCCO)/N=c1\sccn1Cc1ccccc1Cl 12563782 MPAAQYAXTSJNKJ-FLFQWRMESA-N 445.928 2.940 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c(C)c1 12778186 LDLJMYWHLOXLJV-UHFFFAOYSA-N 448.552 2.943 0 40 IFAB CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 12886717 ZSCWQEMHSRKYMF-VSUDMRMVSA-N 444.535 2.915 0 40 IFAB biogenic Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)c1C 12940899 VFJLMICMTZACDO-LJQANCHMSA-N 436.574 2.644 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 13149526 JSGFRUVJRRSREW-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCCCN1CCCC1=O 13571843 MUDHYFHPIKLZIS-ZDUSSCGKSA-N 432.904 2.831 0 40 IFAB CN(C)CCCn1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)ncc2c1=O 13638574 YLCHANRBCQOZBP-UHFFFAOYSA-N 426.952 2.723 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)c1 13696656 GSVDWJVBENQUJJ-LJQANCHMSA-N 432.498 2.573 0 40 IFAB O=C(C1CC1)N1CC2(c3ccccc3)CN(C(=O)C3CC3)CC(c3ccccc3)(C1)C2O 13736565 FMJGUNSNHHKKPW-UHFFFAOYSA-N 430.548 2.728 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 14236169 FDBMWSMNQQWIRY-UHFFFAOYSA-N 430.452 2.891 0 40 IFAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(C)cc2)cc1 17041831 AILFNWHXTKRATB-UHFFFAOYSA-N 435.509 2.844 0 40 IFAB O=C(Nc1ccccc1F)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 17190863 GOMGEFTYMNMBIA-UHFFFAOYSA-N 426.448 2.823 0 40 IFAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc3nsnc23)C1=O 19078445 SEHIXZROUCJOGN-IBGZPJMESA-N 447.423 2.698 0 40 IFAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527408 SSALSVQMHIWYRV-UXHICEINSA-N 439.581 2.743 0 40 IFAB CNc1nc([C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)nc2c1CN(C(C)=O)CC2 19710616 LHBAHEDYBQGKBK-LJQANCHMSA-N 436.560 2.761 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2Cc1ccccc1 19743700 MLJOXSRFQDDFAW-SFHVURJKSA-N 430.512 2.628 0 40 IFAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC[S@@](C)=O)C(=O)O)c(C)c3cc2c1C 20412805 VYOSUBZIMCLPMT-MYGHRHJXSA-N 447.509 2.735 0 40 IFAB biogenic Cc1nn2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4F)s3)nc2s1 20983458 IYXIAFSSUVFVNB-UHFFFAOYSA-N 434.503 2.995 0 40 IFAB Cc1cc2nc(CSc3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)cc(=O)n2o1 20984540 JDSXZCRHWGIYPF-UHFFFAOYSA-N 443.466 2.721 0 40 IFAB COCCn1nc(C(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)ccc1=O 21928601 LDGAJCUGAFHRAI-UHFFFAOYSA-N 443.935 2.677 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3N3CCCC3=O)CC2)cc1 24840004 GQYCQTZSTXBWRD-UHFFFAOYSA-N 441.553 2.659 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)O2 30942613 AHFZQKMZGDOLOC-IBGZPJMESA-N 445.541 2.689 0 40 IFAB O=C(NCCNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)c1ccco1 31052006 NOFYLBLRQAKFQP-UHFFFAOYSA-N 425.466 2.757 0 40 IFAB O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(C/C=C\c2ccccc2)CC1 31771988 FUHORYXMCREXLF-DAXSKMNVSA-N 437.559 2.967 0 40 IFAB COCc1nn2c(ncc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccccc1 40396483 YZCSJOACFMJARH-UHFFFAOYSA-N 426.436 2.637 0 40 IFAB O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 67284658 ABUFIIVSWNHGFU-UHFFFAOYSA-N 440.891 2.888 0 40 IFAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC1)NC2=O 72327489 CPDBVUYVTNBKOB-NLFPWZOASA-N 443.544 2.610 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2)nc2c1CN(C(C)=O)CC2 72380193 JFZZRSNGYYCSGN-OAQYLSRUSA-N 437.544 2.728 0 40 IFAB O=C([C@H]1CC12CCN(C(=O)[C@@H]1CC(=O)N(c3ccccc3F)C1)CC2)N1CCCCC1 95457944 HWSGFJILDTUHAT-QZTJIDSGSA-N 427.520 2.820 0 40 IFAB C[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCN1C1CCN(C)CC1 95982987 NVHSHPVZCGDZSB-HXUWFJFHSA-N 445.677 2.910 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)cc1Cl 100890833 JCWLZOLUOVHOFN-IRXDYDNUSA-N 448.266 2.934 0 40 IFAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222725575 SCUGCWXQDOMBME-CHWSQXEVSA-N 440.468 2.768 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 257209516 BQSTZIHIXHEJLX-XMMPIXPASA-N 448.479 2.605 0 40 IFAB CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCN2CCCC2=O)cc1 257217398 CYTQOJHEAPGAGI-NRFANRHFSA-N 442.556 2.958 0 40 IFAB Cn1c(=O)n(C)c2cc(CN3CCO[C@@H](c4ccc(Nc5ccccn5)cn4)C3)ccc21 257226447 FKQINSKUBVQJFO-JOCHJYFZSA-N 430.512 2.984 0 40 IFAB CCOCC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 257244693 IMJSVGDDTUUDEV-UHFFFAOYSA-N 438.952 2.613 0 40 IFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1 408619820 NTELCBVXRAAARS-UHFFFAOYSA-N 445.585 2.865 0 40 IFAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Br)cc2F)cc1OC 408707676 QHYHPDYKYDBXRZ-UHFFFAOYSA-N 425.254 2.903 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 408963036 LSNFVOYPWKQTDY-YVLHZVERSA-N 439.493 2.843 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1c(C)cccc1C 409379187 VNKOPMJNBMHYOR-KRWDZBQOSA-N 435.484 2.896 0 40 IFAB Cc1ccn2c(CN3CCN(C(=O)c4cc5c(cc4F)NC(=O)CC5)CC3)c(C)nc2c1 533182788 DARUIPGHDPVJHF-UHFFFAOYSA-N 435.503 2.933 0 40 IFAB C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)C1 557985970 RAYKBWUAWVTFRQ-AGLNEOCTSA-N 431.552 2.699 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCOc2cc(O)ccc2C1 561263211 RCVABIBOQIMTDP-AWEZNQCLSA-N 431.286 2.929 0 40 IFAB COCCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1N1CCc2ccccc2C1 585263226 PVQXSFAXRUHUCE-ZXMXYHOLSA-N 444.959 2.800 0 40 IFAB Cc1cccnc1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555826 GAVYALQCWXCSRM-RUZDIDTESA-N 437.540 2.865 0 40 IFAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cncs3)CCO2)C1=O 643556961 RUEISGNWVXYIKX-JOCHJYFZSA-N 429.542 2.618 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)CC1 921028 CBRYLGVPEROVBO-UHFFFAOYSA-N 434.583 2.854 0 40 IFAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc(C(F)(F)F)s1 2405223 NCSWRMZGBRUNSS-UHFFFAOYSA-N 431.415 2.764 0 40 IFAB COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 3373339 ZZEOFVBYKWFDHF-UHFFFAOYSA-N 448.431 2.558 0 40 IFAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 3595013 FPFHVRKHIZXOBF-HXUWFJFHSA-N 447.278 2.746 0 40 IFAB Cc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 8605484 GRAZGBIIWBDRJU-UHFFFAOYSA-N 440.525 2.980 0 40 IFAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1 8667713 KDQMOQSLORGNLI-UHFFFAOYSA-N 431.242 2.617 0 40 IFAB Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 8751169 PJCFXOCEZYLBAK-UHFFFAOYSA-N 439.331 2.610 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)no1 9187802 VBMZQDLNEPWZPB-KRWDZBQOSA-N 444.469 2.601 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 9191207 VLDFZQYOMOBFDU-QGZVFWFLSA-N 429.542 2.983 0 40 IFAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)c1 9302538 OWTLQIXJOPJULH-UHFFFAOYSA-N 443.558 2.513 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccccn1 9419377 PULBDLWIGMDRPC-IBGZPJMESA-N 439.903 2.776 0 40 IFAB COC(=O)c1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc3[nH]c(=O)[nH]c(=O)c23)cc1 9484648 LMFUQIQAUFURTF-UHFFFAOYSA-N 427.420 2.712 0 40 IFAB CCc1noc(C)c1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9508440 NBEBMYZXKIMZOX-UHFFFAOYSA-N 435.502 2.516 0 40 IFAB CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)C(=O)NC2=S)c1 9973220 ULEGOWVSCQZLPZ-GZTJUZNOSA-N 437.477 2.828 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1C(=O)NC(C)C 10009012 PHBGYXMELZXQKF-UHFFFAOYSA-N 433.530 2.772 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 12773910 MHEQTSGGYJIUOW-QGZVFWFLSA-N 448.317 2.715 0 40 IFAB CSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 12805992 OVPVTFRMVFZPOK-UHFFFAOYSA-N 426.585 2.562 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 12891028 ODIVOGBZXBNPLY-VHIFZUPLSA-N 446.503 2.839 0 40 IFAB biogenic COc1ccc(OCCCC(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12913891 WXDPQZWQJHODQP-QFIPXVFZSA-N 440.496 2.507 0 40 IFAB Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cc(C(C)C)ccc4C)CC3)nn2)n1 13009310 ZKUHUFGEUDUOPY-UHFFFAOYSA-N 440.573 2.913 0 40 IFAB CC(=O)N[C@H](Cc1ccccc1C)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13084899 IGEXKSIVSBSQHS-HSZRJFAPSA-N 436.556 2.533 0 40 IFAB C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13700728 VWQLFZGCNBAKNW-OAHLLOKOSA-N 436.447 2.640 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 14254377 UDGFTCCKHILLQE-PSLXWICFSA-N 439.468 2.694 0 40 IFAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(I)cc1 15398961 OTVISDCGLBFUBG-UHFFFAOYSA-N 427.223 2.808 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc3n(C)c(=O)c4ccccc4n23)c1C 16322187 JFECOLKXWWDZHF-LBPRGKRZSA-N 439.497 2.676 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1 19342745 PAQMDWHTFGOALA-MRXNPFEDSA-N 440.569 2.926 0 40 IFAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19370196 DFCWYWWJLXAVTD-JOCHJYFZSA-N 429.524 2.629 0 40 IFAB CC(C)[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1cnn2cccnc12 19451435 SPEUSOFGKUIQEE-IBGZPJMESA-N 438.438 2.686 0 40 IFAB COc1ccc(CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1OC 19560360 NFXIOBJWXSQVDQ-UHFFFAOYSA-N 438.480 2.699 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC3CCCCC3)CC1)C2=O 19699380 AUCYIHLRQKFELJ-UHFFFAOYSA-N 446.592 2.517 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CCN(C(C)=O)C2 19707361 JNWXASXPKJUQBM-NRFANRHFSA-N 432.528 2.810 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2cnccn2)nc2c1CC(=O)N2CCc1ccccc1F 19739959 PTWUWNCESSIDKJ-FQEVSTJZSA-N 446.486 2.823 0 40 IFAB COCCNC(=O)c1cc([C@@H]2CN(Cc3cnc(C)s3)CCO2)nc2ccccc12 19762260 DAYDDOILPXGUHV-NRFANRHFSA-N 426.542 2.949 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CCC2=NNC(=O)CC2)ncc1C(=O)N1CCCCC1 19765646 VYDDMXKWTRJDDZ-LJQANCHMSA-N 440.548 2.511 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 21005429 GTGKNHKBYGEVRG-FQEVSTJZSA-N 445.560 2.571 0 40 IFAB CCOC(=O)c1cnn(-c2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn23)c1N 23118864 OBTKJOLUESFIMG-UHFFFAOYSA-N 436.472 2.975 0 40 IFAB NC(=O)N[C@H](CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1Cl 24285853 YUTMVVPSZKADCU-HXUWFJFHSA-N 442.947 2.995 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@H]1CCCc2ccccc21 28643993 ZTXQMUAETZXQRX-KXBFYZLASA-N 430.526 2.709 0 40 IFAB C[C@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 28849965 ZAWZRIUREYKRAA-HNNXBMFYSA-N 434.448 2.546 0 40 IFAB COc1ccc([C@H](CNC(=O)NCCOc2cccc(C)c2)N2CCOCC2)cc1OC 29338475 DSJODKWNWQRTLZ-NRFANRHFSA-N 443.544 2.764 0 40 IFAB CCCN(CC(=O)NN1C(=O)N[C@](C)(CC)C1=O)[C@@H](C)c1ccccc1Br 40122953 BIZRHAWLQIZJST-ORAYPTAESA-N 439.354 2.974 0 40 IFAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 40154303 CIGJPHDZGFYAIO-HNNXBMFYSA-N 439.534 2.602 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[nH]c(=O)c21 40400130 KKQCXMNVRBLNSS-ZDUSSCGKSA-N 449.467 2.904 0 40 IFAB CSc1cccc(NC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)c1 48986089 GIQNLRGQJCZCFF-UHFFFAOYSA-N 447.520 2.787 0 40 IFAB CSc1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c1 49409233 IUDGLJPHLABVAG-UHFFFAOYSA-N 435.571 2.774 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@@H]1c1cccs1 57415936 WWJULIHYIDGKKU-HXUWFJFHSA-N 426.542 2.660 0 40 IFAB COc1cccc(CNC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)c1OC 57506308 HQJYZFHBUVHDJS-UHFFFAOYSA-N 426.448 2.768 0 40 IFAB COC(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)oc1C 58744334 KEOVJVSORHNVCX-LBPRGKRZSA-N 435.274 2.806 0 40 IFAB NC(=O)Cc1csc(NC(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)n1 77099344 FKOLZEULIXAPOF-UHFFFAOYSA-N 436.541 2.672 0 40 IFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1cc2c(cc1Br)OCCO2 95946813 AUOBKIZKFHTORJ-UHFFFAOYSA-N 448.317 2.687 0 40 IFAB COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccco4)CC3)O2)c1 96036627 DOXKLGJKKQPDHB-OAQYLSRUSA-N 436.512 2.691 0 40 IFAB COCCN1[C@H]2CCN(C(=O)Nc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145803 CNGHVDSAFGJILI-OALUTQOASA-N 445.541 2.781 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 103198715 QWQVVCYMLAIGSD-GASCZTMLSA-N 449.488 2.646 0 40 IFAB COC(=O)C1=CC[C@]23CC[C@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@]3(OC(C)=O)CC1 105470373 VDGOFNMYZYBUDT-FDHAJYFXSA-N 432.469 2.871 0 40 IFAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1 139117558 YXXVEYCJSOKWTF-QWHCGFSZSA-N 431.443 2.882 0 40 IFAB Cc1c(Cl)cccc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O 216247750 GCELGPZZGWOKQY-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB COC[C@]1(C(N)=S)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218185880 MXNGOLUEEXBSTG-AOIWGVFYSA-N 439.942 2.927 0 40 IFAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219111824 QMWKZOIULLNQJD-MGPUTAFESA-N 438.521 2.963 0 40 IFAB C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220449071 JQFUUXXZIDOPAC-CQSZACIVSA-N 441.475 2.607 0 40 IFAB CCc1ccc(CC)c(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 222650828 RMJVYVHUBWUBDT-UHFFFAOYSA-N 446.569 2.771 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccc(OC)cc2O1 247958580 PKKFGCGJYIEICA-RNPKTQDUSA-N 427.545 2.550 0 40 IFAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)ccc1OCC(N)=O 257323008 WIJSIZCEUIVNKJ-VISFHTIBSA-N 430.545 2.968 0 40 IFAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408559948 NREONYQGQPRAIS-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)c(Cl)c1 408635960 KLJPLNWEKMJGCM-UHFFFAOYSA-N 426.922 2.899 0 40 IFAB O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCCO 408934143 COPXMCJAWXWNBP-UHFFFAOYSA-N 431.341 2.683 0 40 IFAB CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409230775 GJMZPJBIZAYICX-UHFFFAOYSA-N 434.558 2.518 0 40 IFAB O=C(NCCn1cnc(C2CC2)cc1=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 575606583 HVPWQAGGNOYOKH-HXUWFJFHSA-N 444.539 2.611 0 40 IFAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575613804 UTDUTSBVUPRTHM-KRWDZBQOSA-N 433.871 2.581 0 40 IFAB O=C1NCCOCCOc2ccc(C(=O)NCC3CCOCC3)cc2Cc2cccc1c2 643573429 VVZYJNKAZXWDAO-UHFFFAOYSA-N 438.524 2.573 0 40 IFAB O=C(c1cc(-c2cccnc2)on1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888897971 ODNIRSULAIZCMZ-OKILXGFUSA-N 430.390 2.754 0 40 IFAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(Br)n2Cc1ccccc1 894432 FDQTWHPROPDCOJ-UHFFFAOYSA-N 425.286 2.756 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 8594289 NQNUIWLZIXTVOB-UHFFFAOYSA-N 447.557 2.712 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1 8704451 DQSAZFCHOHYUOE-UHFFFAOYSA-N 432.567 2.976 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2)cc1 8729455 YIKSROWPYQQMQH-UHFFFAOYSA-N 427.276 2.687 0 40 IFAB O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncnc3nc[nH]c23)CC1 9060050 WUBDXGIILVLSAY-UHFFFAOYSA-N 447.587 2.988 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1C 9643414 HPIOKCSPPMJYHB-AEFFLSMTSA-N 440.496 2.624 0 40 IFAB Cc1cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCc1ccccc1 9829447 UTGXAUOBUWHWNB-UHFFFAOYSA-N 427.508 2.943 0 40 IFAB CCOCCCNC(=O)CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 9831259 OUCGUMZQYIYNHL-UHFFFAOYSA-N 433.512 2.568 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1C 9974558 HZFJYNNMQFUQOJ-INIZCTEOSA-N 446.525 2.814 0 40 IFAB O=C(NCc1ccccn1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9975324 BEKYGSCYSGSYLW-FQEVSTJZSA-N 429.929 2.941 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(OC)c1 11666409 QIGMBOQRBKZKBO-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cccc(C)c4)nn23)cc1OC 11693942 DPYAQUOGYCUUGJ-UHFFFAOYSA-N 433.468 2.926 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c(C)c1C 12225017 ARCHWVSKTHQCCV-UHFFFAOYSA-N 434.562 2.709 0 40 IFAB CC(=O)Nc1c(C)cc(C)c(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)c1C 12445162 PFTCOLIEDRPYGE-UHFFFAOYSA-N 430.530 2.870 0 40 IFAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)cc1 12677366 SHHLARVZSZDRBA-FQEVSTJZSA-N 434.496 2.648 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(C)nsc2NC)NC(=O)N[C@@H]1c1cccs1 12686856 ZHCPZMMQEDOMIU-CQSZACIVSA-N 436.515 2.583 0 40 IFAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)NC(c1ccccc1)c1ccccc1 12736603 QOPIAOAFTAKMOX-UHFFFAOYSA-N 447.516 2.987 0 40 IFAB CN(C)S(=O)(=O)c1cccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12806972 JHDDNUUMNHJCIU-UHFFFAOYSA-N 444.553 2.803 0 40 IFAB CCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nnc1-c1ccco1 13004012 XVTVPCAPZSSGJJ-UHFFFAOYSA-N 429.502 2.756 0 40 IFAB CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccncc3)C2=O)cc1OC 13137220 HSJLWTUVANXLNE-AQTBWJFISA-N 427.482 2.955 0 40 IFAB COCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 13496303 ZHYXZOLSCKANPM-HXUWFJFHSA-N 435.557 2.841 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)CC1 13674117 PWZUASSRLRUBQH-UHFFFAOYSA-N 444.553 2.986 0 40 IFAB Cc1ccc(C)c(N([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 13677258 VTHCWGIRBHRZIG-HXUWFJFHSA-N 429.586 2.802 0 40 IFAB O=C(COC(=O)CCC1=NC(=O)[C@H]2C3=C(CCC3)S[C@H]2N1)NCc1ccc(Cl)cc1 14136195 SIOMVONNCLDFPR-TZIWHRDSSA-N 447.944 2.935 0 40 IFAB O=S(=O)(Cc1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(F)cc2)n1)c1ccc(F)cc1 15673970 QEJHIYSMFDQVRC-AEFFLSMTSA-N 435.452 2.630 0 40 IFAB biogenic,in-vitro CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 16682746 DDBUCMMYCYSDQA-UHFFFAOYSA-N 446.525 2.668 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 17064989 IYBXQELHNRPAOM-OAHLLOKOSA-N 432.542 2.979 0 40 IFAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)cn1 19290562 SULQHMFMRVSDPP-OAQYLSRUSA-N 438.576 2.809 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)[C@@H]3CCOC3)C1)C[C@@H]2C(F)(F)F 19530920 AIAYQGPAGOSRFV-LQKXBSAESA-N 444.454 2.623 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)CSC2)NCc1ccccc1 23139433 KBLAQACVDRXHNJ-UHFFFAOYSA-N 436.493 2.927 0 40 IFAB O=C(Cn1ncc(Br)c(Br)c1=O)NCc1ccc(Cl)cc1 23557214 CULMKTOMULYXJH-UHFFFAOYSA-N 435.503 2.738 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 24394956 ZZJPVIYZUPMQPF-INIZCTEOSA-N 446.960 2.910 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24610118 ROVPNOGKKBBUHD-UHFFFAOYSA-N 434.489 2.793 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC4(CC3)OCCO4)c2)cc1F 24995101 XMYWTGRTZKIBDK-UHFFFAOYSA-N 434.489 2.914 0 40 IFAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 27194437 BCDMEMDALKVFIB-INIZCTEOSA-N 441.557 2.532 0 40 IFAB COc1cccc(NC(=O)CN(C)C(=O)CN(Cc2cc(OC)ccc2OC)C2CC2)c1 27604428 RWGKSYFAMXMNJT-UHFFFAOYSA-N 441.528 2.774 0 40 IFAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 29232432 FOBFNGBAIHDYSH-NHCUHLMSSA-N 438.528 2.530 0 40 IFAB CCOC(=O)C1=C(CN2CCO[C@H](c3ccc(F)cc3)C2)NC(=O)N[C@@H]1c1ccco1 29539258 NJFLXUQZVZHYAB-AZUAARDMSA-N 429.448 2.663 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)ccc1Cl 30938948 PFWIDVLHAUBBQA-KRWDZBQOSA-N 438.889 2.601 0 40 IFAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 32906353 BLPGGQLFYGDAGL-CYBMUJFWSA-N 438.322 2.539 0 40 IFAB C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)N(C)C 37115299 IUSYRKCHBSKKJD-ZDUSSCGKSA-N 436.917 2.725 0 40 IFAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1OC)CC(=O)N2 40390555 WLZUNKFCSNMBFW-KBPBESRZSA-N 425.489 2.612 0 40 IFAB O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1 44880555 IQAVXUIQHQQTFK-UHFFFAOYSA-N 441.597 2.960 0 40 IFAB O=C1CN(C2CCCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 63376417 MMOFNVSYNNVNOS-MSOLQXFVSA-N 441.391 2.986 0 40 IFAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(C(=O)CN(C)C)CC2)cc1 63723680 CKARCQOELTTXIM-UHFFFAOYSA-N 445.567 2.753 0 40 IFAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)Cn1nc(C)ccc1=O 72370619 JQVIYCCHOJBPMV-MRXNPFEDSA-N 438.553 2.750 0 40 IFAB CSc1nc(C)c(CCC(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c(C)n1 89525988 YOMRZMWGNOQBNZ-AWEZNQCLSA-N 430.538 2.820 0 40 IFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc2c1CN(c1ccccn1)C2 89866501 BJSVIKVVMIZLES-UHFFFAOYSA-N 427.464 2.634 0 40 IFAB COC(=O)[C@@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 95444036 XEOMURKUNOTBDR-MBSDFSHPSA-N 427.501 2.860 0 40 IFAB O=C(Nc1cnn(CCN2CCCCC2)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95459048 NSTFAGXAIRZPRC-IBGZPJMESA-N 427.524 2.999 0 40 IFAB CC(C)[C@H](NC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)c1nccn1C 95939056 JSMZQFLSTFDVPL-FQEVSTJZSA-N 430.530 2.925 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@@H](C)O)cc1 95951863 YIVYELVXCKKTMQ-DYESRHJHSA-N 432.586 2.979 0 40 IFAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 96098629 KJWTZJCMMHAFMS-UHFFFAOYSA-N 432.424 2.629 0 40 IFAB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccccc1F 103518471 JKBMCKGAWQMYHU-DBHNTLKXSA-N 425.847 2.910 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 223224181 ZZHUDHORHDZLCA-FQEVSTJZSA-N 435.977 2.930 0 40 IFAB COc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223897766 BINNFQHFZDZCCL-CQSZACIVSA-N 426.922 2.698 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 225513846 OCHMAAPVPVDJPD-INIZCTEOSA-N 432.498 2.521 0 40 IFAB O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225517187 HWRQNDVTSAUEQI-HXUWFJFHSA-N 442.581 2.952 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1C(=O)O 226856752 CKNWKMBCSFDQQT-UHFFFAOYSA-N 433.223 2.799 0 40 IFAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 247960632 FCRIDGYCOYMMEJ-DRMXPCRNSA-N 428.577 2.573 0 40 IFAB O=C(C1CCC1)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1ccccc1)CC3 306125883 DEPQVUGGOJDVOK-UHFFFAOYSA-N 432.568 2.767 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 409209247 IIKSKTFPPLKNAG-IEBWSBKVSA-N 429.590 2.887 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)N(C)C1=S 409210463 IVAZTEMANIPPEI-YVLHZVERSA-N 444.484 2.986 0 40 IFAB O=C1C[C@@H](c2cc(Br)ccc2OCC(=O)Nc2ccccc2)N2NC=NC2=N1 409376887 DTWPTHHQBQBKKF-HNNXBMFYSA-N 442.273 2.643 0 40 IFAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409379096 VJKFYBVLVKDUQS-QGZVFWFLSA-N 435.484 2.814 0 40 IFAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 564598686 XGTKUTHPJRYKOY-HXUWFJFHSA-N 429.542 2.536 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@@H]2C)c1 585097233 GWYSVERVJPJJCS-KRWDZBQOSA-N 442.541 2.717 0 40 IFAB Cc1ccc(F)c(CN2CCN3C(=O)OC4(CCN(c5ccnc(C)n5)CC4)[C@@H]3C2)c1 1549161747 KOCUFYXRYUQBFM-FQEVSTJZSA-N 425.508 2.908 0 40 IFAB CC(C)(C)NC(=O)CN(C(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(C)(C)C 6074298 AOLRURCSAMTRGR-UHFFFAOYSA-N 437.610 2.943 0 40 IFAB CCCc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)ccc12 8877261 XRWSZKKTRVKCJW-AEFFLSMTSA-N 434.492 2.932 0 40 IFAB biogenic Cc1nc(-c2ccccc2)cc(=O)n1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 9045875 UMCPCLDAOCCQOE-UHFFFAOYSA-N 429.480 2.655 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCCc2ccccc21 9125387 KIOYDQHCMKUNFD-UHFFFAOYSA-N 442.537 2.838 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c1 9538940 KCESFEWUROKPJZ-UHFFFAOYSA-N 431.436 2.536 0 40 IFAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9561377 ZIXGNTRLXMISJW-UHFFFAOYSA-N 438.962 2.537 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 9637068 RZTGLIOOBLQUQU-AUSIDOKSSA-N 437.521 2.854 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(COCC(F)(F)F)cc1 9731995 QFWVDAGVDWXBKY-UHFFFAOYSA-N 430.448 2.745 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2cccnc21 9830922 RRBBOFGRVQVBOE-UHFFFAOYSA-N 444.491 2.952 0 40 IFAB NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 9871377 ZEYIRNRHOOTGMP-QGZVFWFLSA-N 427.526 2.811 0 40 IFAB COc1ccc(C)cc1N1CCCn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C 10102361 QTUSIPUJAHCTEO-UHFFFAOYSA-N 445.523 2.998 0 40 IFAB COc1ccccc1CCNC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 10186689 DYLASBKKVSRRAL-UHFFFAOYSA-N 439.537 2.833 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H](C)n4ncc5ccccc5c4=O)C3)cc2n1 12134626 IZIXTYHINHHUOD-WBVHZDCISA-N 446.511 2.674 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc4c3=O)nn2c1O 12154121 LOSVNYWDULXSAV-FQEVSTJZSA-N 446.511 2.769 0 40 IFAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1C 12289049 FRJYUVJTYFBKHE-UHFFFAOYSA-N 443.507 2.938 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)C[C@@H]2C)c1 12637680 WLHMDQWVJUHDKN-OALUTQOASA-N 435.524 2.856 0 40 IFAB COc1ccc(-c2nc(CN3CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC3)cs2)cc1 12788070 WUULLRUDXNNFHZ-HXUWFJFHSA-N 430.574 2.624 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(Cc4cccs4)C3=O)c2C)no1 13128354 JLTUYNWUAZZFQI-UHFFFAOYSA-N 426.454 2.626 0 40 IFAB COc1cc(NC(=O)C2CCN(c3nc(Cl)nc4[nH]cnc34)CC2)cc(OC)c1OC 13551032 NBNQWZFHQMMCFQ-UHFFFAOYSA-N 446.895 2.887 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 13668746 IUTLZAVEBVGVOF-UHFFFAOYSA-N 426.922 2.830 0 40 IFAB CCn1c(SCC(=O)OCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1C 16044201 LOFVOYLMXWCFBN-UHFFFAOYSA-N 445.545 2.677 0 40 IFAB COC(=O)[C@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccccc1)C(F)(F)F 19857327 CBPHJYOBWWRXAE-FQEVSTJZSA-N 440.418 2.698 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)cc1)C2=O 23654083 FCKLNLFKLKPTLU-UHFFFAOYSA-N 437.290 2.676 0 40 IFAB Cn1c(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccncc1 32801600 ZBMHKNMYNYYXAP-UHFFFAOYSA-N 426.521 2.847 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CCN2CCCC[C@@H]12 32931759 QSWNRXUFUBCOEN-SFTDATJTSA-N 433.508 2.848 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 32970931 JDNMJGGAOGRPRJ-JTSKRJEESA-N 438.553 2.826 0 40 IFAB CS(=O)(=O)c1ccccc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 40134443 XBPPKYWCDQWJFP-UHFFFAOYSA-N 427.448 2.903 0 40 IFAB Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1S(C)(=O)=O 40140895 KIYAAKYBCLDNPJ-UHFFFAOYSA-N 427.448 2.775 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44787056 LEOCVVZLJGGKCH-SFHVURJKSA-N 437.905 2.854 0 40 IFAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)N(C)C)c1 44846416 OYIHZAPIHGPJCA-UHFFFAOYSA-N 444.557 2.682 0 40 IFAB CN1CCN(c2cc(CNS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)ccn2)CC1 48279418 FHTIWZSCCBBFHK-UHFFFAOYSA-N 448.898 2.984 0 40 IFAB Cc1nccn1-c1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1F 48302609 HJXOSARMQQXHMI-UHFFFAOYSA-N 435.459 2.815 0 40 IFAB COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486108 WPVITJJQCLEMFR-UHFFFAOYSA-N 449.916 2.959 0 40 IFAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 58401404 QCYAKHFZJSIUPG-SCTDSRPQSA-N 441.544 2.706 0 40 IFAB COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 71325930 OBOQQBAGMRHTPU-UHFFFAOYSA-N 425.507 2.664 0 40 IFAB COc1cc2c3cnn(CN4CCN(c5ccccc5)CC4)c(=O)c3n(C)c2cc1OC 79479734 USUVSMCMPITSBE-UHFFFAOYSA-N 433.512 2.685 0 40 IFAB CCc1ccc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)s1 89286822 HIRSOWLBOBDLIQ-UHFFFAOYSA-N 440.515 2.762 0 40 IFAB C[C@@H](O)CN1CCC(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 89895896 FPRXXWSABVUMEK-WIYYLYMNSA-N 443.613 2.640 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1Cc1ccccc1 95478063 KTNVAAFTMPMRMA-SFHVURJKSA-N 434.481 2.735 0 40 IFAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1OC 101329484 QDGMPZMXICCCNO-NHCICSSKSA-N 438.480 2.931 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102095714 DYBDTIJRCPYMPG-UJLKNZRXSA-N 435.451 2.976 0 40 IFAB CCOc1cccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 219144646 SRXMSHWCPLLGBX-UHFFFAOYSA-N 444.513 2.560 0 40 IFAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)s1 223381565 NEAASYCKUNUUGP-ZDUSSCGKSA-N 430.577 2.842 0 40 IFAB COc1ccc(C(=O)NCCCOC(=O)c2snnc2-c2cnc(SC)nc2)cc1 223857850 KNCUZBJZDUYMSU-UHFFFAOYSA-N 445.526 2.703 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)ccc1OC 226044809 DXANCCAXJURLSH-UHFFFAOYSA-N 444.513 2.953 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@H](Cc2cncc3ccccc23)C1 257242937 IEUNOXBSDNQFGU-LJQANCHMSA-N 432.524 2.798 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 260932707 MFVKWLKWSMIOTA-MRXNPFEDSA-N 444.553 2.980 0 40 IFAB Cc1ccc(CN2CCC3(CC2)CN(C)S(=O)(=O)c2cn(-c4ccccc4)nc23)o1 306125927 DFWQNQBXHMATJP-UHFFFAOYSA-N 426.542 2.942 0 40 IFAB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)CN1 306145535 ICRMFSFJUWUMQD-OAHLLOKOSA-N 427.542 2.528 0 40 IFAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)CC1 409376532 YVYTVZAMAWXCQZ-UHFFFAOYSA-N 431.558 2.647 0 40 IFAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1cccnc1 1775968396 FTNSRGQJGHLMRP-UHFFFAOYSA-N 438.491 2.737 0 40 IFAB COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC 666085 IJJVECBLJCOGRR-UHFFFAOYSA-N 434.558 2.682 0 40 IFAB CCCCOc1ccc(-c2nc3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n3n2)cc1 1756709 KRGDSXIUUHGWMH-HNENSFHCSA-N 432.505 2.891 0 40 IFAB C[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(N)=O)n32)C1 2293873 ZXFCYJVZJFWIBP-LLVKDONJSA-N 425.539 2.797 0 40 IFAB COc1cc(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc(OC)c1OC 4904530 UQTYFSAXXQYGND-OAQYLSRUSA-N 425.485 2.554 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3sc(N)nc3C)n2C)cc1 6147820 QIIORIXIQCNIKR-UHFFFAOYSA-N 432.531 2.737 0 40 IFAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCc4ccccc43)s2)c1 8588099 WQTAGWXBZQYUAO-UHFFFAOYSA-N 430.511 2.941 0 40 IFAB COc1cc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc(OC)c1OC 9130225 OWZPUWKVLGKURU-IBGZPJMESA-N 436.258 2.888 0 40 IFAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9168189 YBRSFUWZFDMXPF-AWEZNQCLSA-N 449.602 2.986 0 40 IFAB CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N(CC(=O)OC)C2=S)cc1 9296099 FWNJESZORVWUMI-YVLHZVERSA-N 440.477 2.962 0 40 IFAB O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9418367 ZPZUJCWJNOJLCP-KRWDZBQOSA-N 433.574 2.663 0 40 IFAB O=C(NCCCn1cnc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 9477697 UORAXQMOLXSEOG-UHFFFAOYSA-N 432.571 2.705 0 40 IFAB Cc1ccc(Nc2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)cc1C 10212270 RJGSYYGJOOJXSH-AWEZNQCLSA-N 426.589 2.636 0 40 IFAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 10806165 BGAXNFPDKUPCFQ-ZDUSSCGKSA-N 437.905 2.704 0 40 IFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)on1 12127953 JGRUHJHVEFSYAO-OAHLLOKOSA-N 442.497 2.780 0 40 IFAB CC(=O)Nc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 12186608 FKOOULXQYBUSBN-UHFFFAOYSA-N 438.553 2.957 0 40 IFAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 12590505 HMTSBOMCNVHRGL-UHFFFAOYSA-N 440.544 2.641 0 40 IFAB CCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 12914827 UDADINTTYFVLNB-UHFFFAOYSA-N 427.526 2.914 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 12973306 AXHPTNKDERCFER-RMKNXTFCSA-N 441.597 2.829 0 40 IFAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(C(=O)c2ccco2)CC1 13119963 BARRZMOXANOAHV-UHFFFAOYSA-N 448.504 2.703 0 40 IFAB COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)sc2c1 13164523 QBIWATWPGJPUJO-UHFFFAOYSA-N 433.511 2.815 0 40 IFAB O=C(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1F 14200427 BCOLBCVEYVYSCQ-UHFFFAOYSA-N 437.393 2.850 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859661 NUEDPEGAHKIOSA-QGZVFWFLSA-N 425.441 2.509 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 16607005 METOQEBONMBLPG-FNGUVFISSA-N 433.533 2.927 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@@H](C)O1 16753998 VHROSZQMKWDODV-GASCZTMLSA-N 442.493 2.843 0 40 IFAB COc1ccccc1C(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1cccc(Cl)c1Cl 17099948 OJSSPMDSGXPYII-HNNXBMFYSA-N 436.295 2.971 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3ccccn3)C2)on1 19122159 YLUOQVAQWSGUAF-QGZVFWFLSA-N 434.500 2.691 0 40 IFAB C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 19463361 VTXAEANAAHESNQ-JLJPHGGASA-N 426.542 2.740 0 40 IFAB CCN(CC)C(=O)c1cnc([C@H]2CCN(C(=O)COc3ncnc4ccccc34)C2)nc1C 19757363 YZETWSRPDPUJNB-KRWDZBQOSA-N 448.527 2.605 0 40 IFAB O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 19817570 ZGQSDRDEQWKIGV-LPHOPBHVSA-N 448.479 2.903 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)c1 22229944 SBLSWZNAPIMJDX-QGZVFWFLSA-N 432.498 2.567 0 40 IFAB COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1S(=O)(=O)NC(C)(C)C 22315158 LJQVZLIIVFHFAX-UHFFFAOYSA-N 430.530 2.621 0 40 IFAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccc3c(c1)OCO3)S(C)(=O)=O)CC(C)(C)O2 22368338 CRFMLOYMJFQDDJ-KRWDZBQOSA-N 446.525 2.908 0 40 IFAB Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)c(C)n2n1 23561743 CQCHRKFZHHAKCK-JOCHJYFZSA-N 439.535 2.916 0 40 IFAB O=C(CSc1nccc(C(F)(F)F)n1)NCc1ccccc1CN1CCOCC1 26481423 VLOVTQBDUKFLOI-UHFFFAOYSA-N 426.464 2.736 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 32995848 OVFJGPPFZLEMQP-IURSYISVSA-N 442.537 2.655 0 40 IFAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1 44921884 XHGSHEZYKODKON-LJQANCHMSA-N 447.495 2.885 0 40 IFAB CN(C)C[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](O)c1ccccc1 58146492 XBGIHIPTYWXXSD-KXBFYZLASA-N 439.965 2.776 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 68776127 NYYGAHWGHARBCE-UHFFFAOYSA-N 431.533 2.575 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C(=O)O)ccc2C)N2CCCC2)cc1 71281991 ZCOCTWZTJKOCNB-FQEVSTJZSA-N 425.485 2.594 0 40 IFAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)CCn1cnnn1 72370740 OFZXVJVWIXSKRX-OAHLLOKOSA-N 426.546 2.651 0 40 IFAB COC(=O)N1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2C1 96096278 UVFHKOCNKUEPRS-UHFFFAOYSA-N 443.525 2.848 0 40 IFAB CCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103432117 JXUBNYDFTNBUGI-HOSILWTGSA-N 436.603 2.737 0 40 IFAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)CCC2 223195966 CYAPSQHRZRWRSW-HZPDHXFCSA-N 444.553 2.978 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSC3CCCC3)C2)cc1 223922293 COLWNAKNRBCXKY-MRXNPFEDSA-N 426.604 2.888 0 40 IFAB COc1cccc(N(CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 224228105 PNRAJFYBMUILRA-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB COc1ccc(-c2nnc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)s2)cc1 224901410 UABOPZDGPYPGEO-UHFFFAOYSA-N 447.542 2.709 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1N1CCCC1=O 225342048 WONVSJYTYAWDTR-MRXNPFEDSA-N 445.541 2.924 0 40 IFAB CCSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)s1 225593017 AUVAVDRQLVBXBJ-UHFFFAOYSA-N 442.573 2.863 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225820073 HURNLUYKOIODAT-UHFFFAOYSA-N 431.448 2.866 0 40 IFAB COc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226014063 HLPQFECKZSEUTL-CQSZACIVSA-N 429.546 2.979 0 40 IFAB CO[C@@H]1/C=C/[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@@H](C)[C@@H](C)CC/C=C/1C 253390073 XBLHNZRXAORYAC-RYLOTMJBSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro COc1ccccc1S(=O)(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257205692 BAFBKHFBSWESGZ-UHFFFAOYSA-N 426.502 2.587 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccccc3C(F)(F)F)CCN2C)c1 257221832 DQSDTIPBUKRWFV-IBGZPJMESA-N 434.462 2.992 0 40 IFAB Cc1ccsc1CN1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccn1 306134985 ODVUTSNMTANRNH-ZWKOTPCHSA-N 442.566 2.683 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 408615763 RVPGGSISFCMJBW-UHFFFAOYSA-N 440.319 2.812 0 40 IFAB COC[C@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 408617583 BTVDVJUDUVMWED-AWEZNQCLSA-N 428.913 2.821 0 40 IFAB Cc1c(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cnn1-c1ccccc1 585148491 KBOPXPJENFXPEL-UHFFFAOYSA-N 449.433 2.612 0 40 IFAB CCCN1CCN(C(=O)Cn2cccnc2=O)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585169048 XDSOIZFJJAOJOY-QHCPKHFHSA-N 444.535 2.602 0 40 IFAB Cc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4C)C3)CC2)c1 585287818 SMWBXZCVIPLJGA-SANMLTNESA-N 440.584 2.777 0 40 IFAB Cc1ncsc1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555834 GCWZHIRIFSVAIE-HSZRJFAPSA-N 443.569 2.927 0 40 IFAB CC(C)n1cnc(S(=O)(=O)N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)c1 1889184595 LRIQITLNDFIPER-ZFWWWQNUSA-N 429.468 2.777 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)c(OC)c1 832102 QZGZIVSHXGIEQX-UHFFFAOYSA-N 441.509 2.611 0 40 IFAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(OC)c2)c(OC)c1 909785 YADOZGPQCVZIJC-HXUWFJFHSA-N 427.457 2.988 0 40 IFAB COc1cc(CN/C(C)=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 1407480 WRLNVVRKEZKFJW-XMHGGMMESA-N 439.468 2.667 0 40 IFAB COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 2693801 SGENEIQKBHNWDQ-RTBURBONSA-N 445.566 2.717 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Nc1ccccc1OC)n2CCC 3367905 NMMLGZIZWLVUMI-UHFFFAOYSA-N 429.477 2.854 0 40 IFAB NCCCC[C@H](O[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 3785696 IFYLTXNCFVRALQ-OALUTQOASA-N 440.477 2.785 0 40 IFAB investigational COc1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3ccccc3)nn2)cc1 8297722 JXPYGXXTVTUUDQ-XPNTWCBSSA-N 431.540 2.981 0 40 IFAB biogenic,in-vitro COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(C)cc2O)cc1 9430111 QKZHUYZHPJJLJF-HSZRJFAPSA-N 447.491 2.848 0 40 IFAB O=C(OCc1cc(=O)oc2cc(O)ccc12)C1CCN(S(=O)(=O)c2ccccc2)CC1 9465735 GEOROLJZKROWHT-UHFFFAOYSA-N 443.477 2.643 0 40 IFAB O=C1CN(C(=O)CSCc2cc(=O)n3c4c(sc3n2)CCCC4)c2ccccc2N1 9594670 IIIGLXSFGMIGMQ-UHFFFAOYSA-N 440.550 2.853 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCn2nnc3ccccc3c2=O)nc1 9605906 JYOHYUIOBHRWCM-UHFFFAOYSA-N 445.570 2.890 0 40 IFAB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 9741614 NVAZNPRVAGTTLP-OAHLLOKOSA-N 426.585 2.890 0 40 IFAB CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)c1 9745885 KYMXSPVIXRTSLX-UHFFFAOYSA-N 428.558 2.617 0 40 IFAB Cc1ccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)cc1 9909607 NJIYDCCKZHOXGJ-UHFFFAOYSA-N 434.529 2.680 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 9959609 MDIVJUZJZCDYOM-OAHLLOKOSA-N 433.530 2.846 0 40 IFAB CCOc1cc2c(cc1OCC)CN(C(=O)CCc1ccc(S(=O)(=O)NC)cc1)CC2 9989840 RTFUCOJRKMVQKE-UHFFFAOYSA-N 446.569 2.910 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(F)cc3)nnc1n2Cc1ccccc1Cl 10969138 CSBSOBHLTHDXHF-UHFFFAOYSA-N 438.850 2.589 0 40 IFAB CCOc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCC2)cc1 11999591 ZIHPQXYMCLQXHK-HXUWFJFHSA-N 432.542 2.972 0 40 IFAB CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCC(=O)NC(C)(C)C 12473644 CVBOLAANOZWAIG-UHFFFAOYSA-N 442.000 2.844 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccccc1Cl 12661872 ITIKCEQVKLXGJD-BTYIYWSLSA-N 444.871 2.834 0 40 IFAB biogenic CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccccc3)c2)CC1 12952921 OJWWVTPHXVTLID-UHFFFAOYSA-N 435.977 2.639 0 40 IFAB Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 12986955 CURFYWCMGNTXFT-PDGQHHTCSA-N 441.484 2.717 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CC1)NC1CC1 12993096 YRYJXSAYZPGUNN-UHFFFAOYSA-N 427.932 2.955 0 40 IFAB CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(C(C)=O)cc1 13566874 HOEPGIAMBBHKOW-UHFFFAOYSA-N 447.498 2.826 0 40 IFAB Cn1c(CC(=O)c2ccc(Br)cc2)c(C(=O)c2ccccc2)c(=O)n(C)c1=O 15106795 KHVHLEIOJFOLGM-UHFFFAOYSA-N 441.281 2.503 0 40 IFAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)NCc1ccc2c(c1)OCO2 15882776 ZJKZPBDBYZCMLZ-UHFFFAOYSA-N 439.493 2.511 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@H]4C2=O)cc1 15894268 UHQGAHOMMGNWMW-ZGDJDIHISA-N 436.464 2.638 0 40 IFAB biogenic O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Cn2cccn2)cc1 16302133 ZAYZAMPGRASRTK-UHFFFAOYSA-N 427.302 2.740 0 40 IFAB COc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 17112423 RQGXXGQSGRVQMT-UHFFFAOYSA-N 437.474 2.677 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1 17358364 CWPVMSCXAZIJSQ-UHFFFAOYSA-N 429.586 2.999 0 40 IFAB COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C(C)=O)CC2 19018937 DPDXTGHLROWTHM-FQEVSTJZSA-N 438.528 2.782 0 40 IFAB Nc1nc(COC(=O)CCn2c(=O)oc3cc(Cl)ccc32)nc(Nc2ccccc2)n1 19162079 VIBLFTWSQZDYBY-UHFFFAOYSA-N 440.847 2.892 0 40 IFAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(C(=O)c2cn(CC)nc2C)C3)c(OCC)n1 19524444 NJNSYFGRMGUZNS-NWMVZANLSA-N 443.548 2.559 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 19578653 VEZXSRXRTFYJKT-RUZDIDTESA-N 431.540 2.838 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O 19699572 JENONYYAWHAZIX-LJQANCHMSA-N 446.592 2.517 0 40 IFAB CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)c1c(OC)cccc1OC)CC2 19710492 TUYNTSVYSBZMMO-UHFFFAOYSA-N 425.533 2.543 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1OC 19739462 VWXUXMIEUOERJT-QGZVFWFLSA-N 438.528 2.660 0 40 IFAB CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930227 JHFFVJNKLYLMEN-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20519191 TYLRUVIEZBZHEU-YJXLLHPSSA-N 433.961 2.756 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)N[C@H](c3ccc4c(c3)CCCC4)c3cccs3)cnc21 21437371 DACRMDPKPZAKAE-OAQYLSRUSA-N 433.537 2.976 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 23458343 AVXCQNWAFNFVDH-UHFFFAOYSA-N 446.573 2.806 0 40 IFAB O=C1CN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c2ccccc2N1 24608745 MSNLEDNWNZWGBQ-UHFFFAOYSA-N 447.944 2.867 0 40 IFAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccnc(N2CCOCC2)c1 25290728 IVLWAFVLFJJASW-UHFFFAOYSA-N 444.944 2.833 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)C(C)C)CC1 32986065 TXBXCDHDPXFSTR-KRWDZBQOSA-N 425.982 2.518 0 40 IFAB CCOc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SC)cc1Br 34703728 SBDJEPKGRBYYIH-UHFFFAOYSA-N 430.353 2.728 0 40 IFAB CCOC(=O)C1=C(CN(CC)C[C@H]2COc3ccccc3O2)NC(=O)N[C@H]1c1ccco1 34872117 YSWNZHQCVSQGQW-BTYIYWSLSA-N 441.484 2.613 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1OC)C(=O)OC 43746977 IMHMHQBFJNVXRB-SOVGHPHASA-N 430.505 2.672 0 40 IFAB biogenic COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(OCc2ccccc2)cc1 44974187 IGWYSJOINDAIAR-FQEVSTJZSA-N 447.491 2.667 0 40 IFAB COc1cc2[nH]c(CN3CCC(C(=O)N4CCCCCC4)CC3)nc(=O)c2cc1OC 57270784 FXDYQVUVYABTGK-UHFFFAOYSA-N 428.533 2.555 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[nH]c(=O)c32)c1 59816925 YIAMWWRGSRWYIH-XJKCOSOUSA-N 425.489 2.610 0 40 IFAB C[C@@H]1C[C@@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C(=O)[C@H](C)C1 61895122 BCMABKOQTPATAU-CAQIIQHBSA-N 427.497 2.865 0 40 IFAB CCN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@@H](Cc1ccc(C)cc1)C1CC1 72305219 WUCWAHDFYDVXDH-QFIPXVFZSA-N 429.586 2.602 0 40 IFAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCCCCC3)CC1)NC2=O 72327497 DVJJXTPIDLUVOG-FYSMJZIKSA-N 443.544 2.754 0 40 IFAB CCOC(=O)c1cc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)n2c1N(C)CCC2 72329873 AQCAOJRZZYJZFL-UHFFFAOYSA-N 432.542 2.995 0 40 IFAB CCN(CC)Cc1ccc(C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)o1 72338807 QVYLFQRBFONDIZ-NRFANRHFSA-N 446.573 2.704 0 40 IFAB COc1ccc(C2(CNC(=O)c3ccc(Cl)cc3-n3cnnn3)CCOCC2)cc1 72404165 JUQGVNSDCIXSOV-UHFFFAOYSA-N 427.892 2.803 0 40 IFAB C[C@H](CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1nc(-c2ccccc2)no1 89901246 WVZJXAVPHGQSLY-CYBMUJFWSA-N 432.502 2.940 0 40 IFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1 96261110 CNJZDKGJBSXVDW-NQSCKRDGSA-N 429.542 2.977 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C 102245920 NMVZARHTEHXYOL-ROUUACIJSA-N 449.573 2.529 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 107853592 HUIVVPSEYBMXHJ-SNVBAGLBSA-N 431.283 2.902 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 195528615 MAKXRHGKYHEXQX-LHLLGIGYSA-N 435.471 2.996 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC 220227807 JHQGFEGGUIXQJO-CYBMUJFWSA-N 438.502 2.514 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 223541200 IEAPFLVWHDFYPM-LJQANCHMSA-N 445.585 2.641 0 40 IFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)c(C)c1 225117338 FRHNIJVRJMZYMT-UHFFFAOYSA-N 439.461 2.688 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)s2)cc1 225500694 MMUZVWNSVOLZJU-UHFFFAOYSA-N 432.527 2.927 0 40 IFAB Cc1nccn1CCCC(=O)N1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 257259076 KWTFSVFKAXJNNS-JOCHJYFZSA-N 433.512 2.733 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOc4ccccc43)C2)cc1C 260746294 RCGHJJJUPFLPEZ-KRWDZBQOSA-N 430.526 2.830 0 40 IFAB COc1cccc(N([C@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 260793126 KDIRISSNDMVANB-LLVKDONJSA-N 430.577 2.840 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3cccc(OC)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306139812 UBKDJCLRXSRJOU-URXFXBBRSA-N 426.561 2.937 0 40 IFAB Cc1cccc(NC(=O)Cn2cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c3ccccc32)c1 408589645 FFTYKRPRVSQJRE-VCHYOVAHSA-N 432.436 2.566 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1C 408589787 FMWQJLDKIPJXLP-UHFFFAOYSA-N 430.267 2.760 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1OC 409057105 UCXOVLMYGNVCIB-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(O)c(OC)c2)C1=O 409218217 ZJMKSUMQUFHYMK-GHXNOFRVSA-N 429.292 2.726 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CN(C(=O)c1ccccn1)C2 1549168101 TXQKRQSZPFXEEC-NRFANRHFSA-N 432.524 2.547 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2cccs2)cc1 1077776 AJFBCUFBSOQSIS-INIZCTEOSA-N 431.539 2.881 0 40 IFAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(OC)c(OC)c2)cc1 1346516 ZDKIENSYGFTYNM-UHFFFAOYSA-N 442.497 2.527 0 40 IFAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 2952043 PWNCUJAXRGCYQM-UHFFFAOYSA-N 438.503 2.738 0 40 IFAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 8298704 ICVNAHZVCBTRGW-NRSPTQNISA-N 441.551 2.596 0 40 IFAB biogenic,in-vitro COc1cc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8612555 HZPDXRBYPMDHEY-OAHLLOKOSA-N 437.489 2.681 0 40 IFAB COC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccc(OC)cc23)sc(C)c1C 8782491 GWFWLMHVNGUSHJ-UHFFFAOYSA-N 429.498 2.939 0 40 IFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 8898091 DUHGFCNQSWNZPN-INIZCTEOSA-N 426.502 2.757 0 40 IFAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)c2ccc3c(c2)OCO3)c1 8995326 PZSAZECRGUJZAH-UHFFFAOYSA-N 440.500 2.785 0 40 IFAB COc1cc(OC)cc(C(=O)NCC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 9319319 TUWLCHIMEGIGSV-IBGZPJMESA-N 442.541 2.921 0 40 IFAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCO)n(-c2ccccc2)n1 9587631 UIPWKGAEFYHHFY-UHFFFAOYSA-N 435.509 2.614 0 40 IFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)Nc1ccc(F)cc1F 9660732 GBRIYMXVPLGUSS-UHFFFAOYSA-N 436.418 2.718 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(Cl)s3)n2)cc1 9661024 UIRZUPNZHVBJFL-UHFFFAOYSA-N 425.919 2.612 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(C(=O)NC2CC2)c1 9669587 HMZYYOHGVYZKTA-UHFFFAOYSA-N 433.555 2.606 0 40 IFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCCO2 9712404 ILWWMSZJAGQGIV-KRWDZBQOSA-N 439.468 2.714 0 40 IFAB CC[C@]1(C)NC(=O)N(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O 9750943 VZDMPIJZMQTRLF-VGSWGCGISA-N 442.903 2.953 0 40 IFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(NC(=O)C2CC2)cc1 11365038 IHBGEULVDBJBBT-UHFFFAOYSA-N 430.482 2.609 0 40 IFAB O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC[C@H](c2nnc3ccccn23)C1 12391946 MNMQWOFVDIRITJ-IBGZPJMESA-N 449.536 2.567 0 40 IFAB CCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)n1 12518795 YIASFLOEJJPESQ-UHFFFAOYSA-N 428.496 2.935 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 12544860 HVEGAZUFGWEIBG-OKILXGFUSA-N 428.514 2.775 0 40 IFAB Cc1sc2nc(SCC(=O)NCCCN3CCCC3=O)n(C(C)C)c(=O)c2c1C 12928742 ZTTNVECLIRQWBP-UHFFFAOYSA-N 436.603 2.877 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 12988575 MVGYHZULMAHYMB-UHFFFAOYSA-N 429.498 2.668 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1NC(C)=O 12994232 KVRAJMRXNVYXBS-GOSISDBHSA-N 432.498 2.951 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)cc1 13070352 ZSDMXMDDFQULMM-UHFFFAOYSA-N 443.598 2.984 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nncs2)n1C 13945031 XFLHYKKCPMAGCJ-AWEZNQCLSA-N 431.547 2.525 0 40 IFAB Cc1sc2ncnc(SCC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)c2c1C 14183334 ZCHLMKGFEHDWRV-UHFFFAOYSA-N 447.630 2.557 0 40 IFAB CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)CC1 14513571 SDBODWVOGQDYBR-UHFFFAOYSA-N 435.521 2.558 0 40 IFAB CN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1ccccc1 16187666 RLECOHSWXATWPN-UHFFFAOYSA-N 441.475 2.675 0 40 IFAB CCC(CC)C(=O)N1CCN(C(=O)c2cn(CC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 16838969 NNQIPMRHJXMZEE-UHFFFAOYSA-N 449.555 2.879 0 40 IFAB COc1cccc(OC)c1C(=O)NC1CCN(Cc2cc(-c3cccnc3)nn2C)CC1 19288989 PVONWSQMPDPBQL-UHFFFAOYSA-N 435.528 2.894 0 40 IFAB COCCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2c(s1)CCc1c-2cnn1C 19289588 JMHZFWIMSIFNHA-UHFFFAOYSA-N 426.498 2.593 0 40 IFAB COc1ccccc1C(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19568847 SNGQETXHESHXCQ-VWLOTQADSA-N 431.492 2.696 0 40 IFAB O=C1CCCN1CC(=O)N1CC[C@@H](c2ccc3c(NCCc4ccccc4)n[nH]c3n2)C1 19705116 UYRGELMQVAGRFX-GOSISDBHSA-N 432.528 2.551 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)C(C)(C)OC)nc21 19744217 JVAAAEPYUFFZIU-SFHVURJKSA-N 438.528 2.971 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19747679 HFVCNCOKDWZHNP-INIZCTEOSA-N 428.489 2.876 0 40 IFAB C[C@@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 20045626 QOMNYUKEJUMBEM-HNNXBMFYSA-N 432.933 2.997 0 40 IFAB O=C(CSc1nnnn1-c1cccc(F)c1)N1CCN(C/C=C/c2ccccc2)CC1 23873275 JNDZMXQMHSKOOB-VMPITWQZSA-N 438.532 2.751 0 40 IFAB CCOc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1OC 26092291 IDFABMLMJCOPAX-SFHVURJKSA-N 448.541 2.574 0 40 IFAB O=C(CCSCCCN1C(=O)c2ccccc2C1=O)NC(=O)NCc1ccccc1 27190158 BZVNOENMWBQUJG-UHFFFAOYSA-N 425.510 2.822 0 40 IFAB CCOC(=O)C1=C(CN(C)Cc2cnn(-c3ccccc3)c2)NC(=O)N[C@H]1c1ccco1 27551436 PJEKSQOFWCRKPQ-NRFANRHFSA-N 435.484 2.768 0 40 IFAB CN(C)C(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2ccccc2O1 32810580 HCSATOVLJBZQKC-DYESRHJHSA-N 436.512 2.813 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1 32907648 BCJNOFHDGNIZRJ-UHFFFAOYSA-N 429.901 2.986 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 34866191 OHFUDEUUIZDTME-UHFFFAOYSA-N 425.913 2.733 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1nc2ccccc2s1 36660479 AMDGMPDMNUXIOD-UHFFFAOYSA-N 448.483 2.820 0 40 IFAB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3snnc3C)nc2c1 36707133 DOBRFEXWSIXDGS-UHFFFAOYSA-N 433.559 2.834 0 40 IFAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 58203079 XXJGSXQBWQYVSI-SJLPKXTDSA-N 437.606 2.711 0 40 IFAB Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)cnn1-c1ccc(O)nn1 60168096 BLSNLJMYGXIFRT-UHFFFAOYSA-N 448.449 2.899 0 40 IFAB O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 70921337 ZCUXITOWRAWGSF-UHFFFAOYSA-N 444.376 2.736 0 40 IFAB O=S(=O)(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccccc1Cl 77196718 IRLGGBXNADKNNP-UHFFFAOYSA-N 430.921 2.652 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nc(N)ns2)CC1 79059026 CXBZWQLTSJHETP-VIFPVBQESA-N 434.875 2.942 0 40 IFAB Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)c1ccccc1 79102786 OLMIYIYCWAALAZ-HXUWFJFHSA-N 428.496 2.704 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1ccc(F)cc1 96521126 TWOWEPGQTYZZDT-NXEZZACHSA-N 437.068 2.778 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1ccc(CN2CCc3ccccc32)cc1 102798501 WYSKDSWBLMZQJN-VXKWHMMOSA-N 429.520 2.817 0 40 IFAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@H]2CCCN21 104840368 OMFCZJCUEDECGI-NAZDKBRTSA-N 431.492 2.689 0 40 IFAB C[C@@H](NC(=O)CN1CCN(c2nccn3cnnc23)[C@H](C)C1)c1cccc2ccccc12 108126308 VGZDXPCHLSSYJO-QZTJIDSGSA-N 429.528 2.665 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1 216262991 KUPGZBLGQJVGJP-UHFFFAOYSA-N 430.505 2.874 0 40 IFAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 216360292 INOUVMVQUQNMEP-UHFFFAOYSA-N 431.514 2.763 0 40 IFAB O=C(NCCOCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224385916 JLXVNZQUYOLNOV-HSZRJFAPSA-N 444.597 2.994 0 40 IFAB COc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 225511657 OHKLDUSMEMCFMH-IBGZPJMESA-N 446.569 2.854 0 40 IFAB O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@H](N2C(=O)COC2=O)C1 225701255 WJJJCHQRBGDALX-LBPRGKRZSA-N 447.232 2.563 0 40 IFAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)[C@@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 245240796 SYHUKNSTHJICMX-UDMAVECTSA-N 438.605 2.508 0 40 IFAB Cc1cc(C(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)C4)C2)c2c(C)noc2n1 257215204 CPDCXSUUWXCHHD-MRXNPFEDSA-N 446.511 2.867 0 40 IFAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1nc(C)ccc1=O 257298542 RMEIPNPFOCHMDP-KDHQNNTKSA-N 448.567 2.553 0 40 IFAB COc1ccc(CN2C[C@@]3(CCN(C(=O)C4CC4)C3)Oc3ccccc3S2(=O)=O)cc1 306139267 STQLAQQVIZVZJS-QHCPKHFHSA-N 442.537 2.660 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 408650894 CHFBFPWGWGJOME-OAHLLOKOSA-N 444.871 2.970 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 408650930 CLBICHAOOAQNAG-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB CCOc1ccc(-c2noc(CS(=O)(=O)CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 514429565 NMUHUPIDHJCFNS-MRHSLFKSSA-N 447.557 2.991 0 40 IFAB CN1C(=O)N[C@](C)(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)C1=O 1557235125 YKIJEIKHGMORPB-VOIUYBSRSA-N 449.511 2.966 0 40 IFAB CC1CCN(C(=O)c2ccc(NC(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)cc2)CC1 1667662888 KZNZXUMIKUVYKQ-QFIPXVFZSA-N 433.574 2.991 0 40 IFAB CCOC(=O)c1sc2nc(CSc3nnnn3-c3ccccc3)[nH]c(=O)c2c1C 2652605 HKIYPYVLFAWYCB-UHFFFAOYSA-N 428.499 2.738 0 40 IFAB Cc1ccc(C)c(-c2nnc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc23)c1 3417242 HHIBWHZUVWEYSY-MRXNPFEDSA-N 425.510 2.596 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 8150637 KFRINIORTPRRTI-HXUWFJFHSA-N 425.554 2.523 0 40 IFAB CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3snc4c(O)ncnc34)cc2)C1 8582937 YCRRQQUNXHMDLQ-GFCCVEGCSA-N 427.486 2.824 0 40 IFAB COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c(c1=O)S[C@H](C)C2 8623120 TUGASCRYVWREDC-CQSZACIVSA-N 431.583 2.998 0 40 IFAB COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 8676837 RDBOGFHUHNPNLY-UHFFFAOYSA-N 442.516 2.798 0 40 IFAB CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 8746078 BYPPENLLCHBPQV-PXDATVDWSA-N 434.540 2.970 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 8849384 JSLRBFPINDOGKY-GOSISDBHSA-N 427.526 2.598 0 40 IFAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1)c1ccc(F)cc1 8934855 RGEOKAQTMSWIIU-UOVSXCDZSA-N 425.456 2.918 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1 8995143 SGWRWXOGFFMWDH-UHFFFAOYSA-N 436.468 2.752 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2=O)C1=O 9154301 FQJLHYPFZUWFPA-XMMPIXPASA-N 434.496 2.695 0 40 IFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 9462614 UCASHEFULBEDKL-FCGDIQPGSA-N 438.281 2.917 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9950829 LNBXBWWVJHXFNU-QGZVFWFLSA-N 434.587 2.626 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)N[C@H]1c1ccccc1 10433680 YUBGJLRDZKFCHN-IBGZPJMESA-N 432.473 2.779 0 40 IFAB O=S(=O)(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(F)ccc1F 11694556 GGVOXHIOBBETKF-UHFFFAOYSA-N 449.414 2.566 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1 12527760 JMHSQMBEUFHRPZ-OAQYLSRUSA-N 434.584 2.917 0 40 IFAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccc(N2CCOCC2)nc1 12544673 RDWNCDXUYBAIBZ-UHFFFAOYSA-N 433.484 2.899 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 12575398 WSKSRALUXNUUTL-OAQYLSRUSA-N 442.541 2.900 0 40 IFAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12853004 PZPAZTLLCBEPGB-SFHVURJKSA-N 427.570 2.817 0 40 IFAB O=C(CNC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(F)c1 12893865 KJBICVJKRKZYEN-CYBMUJFWSA-N 440.493 2.613 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 13073673 CTPRGYJVBRVJLR-HNNXBMFYSA-N 442.468 2.596 0 40 IFAB COCCN1CCN(c2ccc(NCc3cc4ccc(OC)cc4n(C)c3=O)cc2)CC1 13564901 PXLJPGKJEIRHPX-UHFFFAOYSA-N 436.556 2.928 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1C(=O)N1CCCC1 13669189 YPCQMYWAASIUQE-HDICACEKSA-N 437.606 2.578 0 40 IFAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)Nc1ccc(I)cc1 13856062 OWNWGISRDQJPBF-CJXOWJITSA-N 438.265 2.651 0 40 IFAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC1CCN(Cc2ccccc2)CC1 14021421 XVKFLJFHQVCVOB-UHFFFAOYSA-N 447.583 2.747 0 40 IFAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NC(=O)NCCC1=CCCCC1 14162208 LPAYWRXLEZKHAZ-UHFFFAOYSA-N 429.546 2.623 0 40 IFAB Cc1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 15673989 SUHMDXZLMOBXTO-MJGOQNOKSA-N 431.489 2.799 0 40 IFAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 16626546 VLNGPEQLJOGPIG-IJEWVQPXSA-N 438.956 2.869 0 40 IFAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19739431 MPEGYXNLWWMQDC-INIZCTEOSA-N 432.521 2.543 0 40 IFAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC 20018846 YIWCPZIBOUOFGJ-OAHLLOKOSA-N 436.530 2.647 0 40 IFAB CCOC(=O)c1c(NC(=O)NCCCN2CCOCC2)sc2c1CC(C)(C)OC2 20573352 BDNGGJZGGKBQMS-UHFFFAOYSA-N 425.551 2.620 0 40 IFAB CC(C)(C)c1ccccc1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 22021145 VTEVNHUIKVBJJX-VOIUYBSRSA-N 440.496 2.920 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O 22252275 UVPLMSADSHYOLR-UHFFFAOYSA-N 435.502 2.700 0 40 IFAB COc1ccc(NC(=O)NC(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 22987048 BOIDUGIQUAQYLO-UHFFFAOYSA-N 431.246 2.516 0 40 IFAB O=C(CSc1nccn1-c1ccc(Cl)cc1)NN1C(=O)NC2(CCCCC2)C1=O 23817452 KVRLROAIJHJOFO-UHFFFAOYSA-N 433.921 2.904 0 40 IFAB COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)[C@H](N)CCC(=O)O 31840872 AWQXRZKLOCRIGY-SQRWCISFSA-N 445.468 2.989 0 40 IFAB COc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F 32862987 UPWRTUCWIWGCAS-LBPRGKRZSA-N 443.472 2.847 0 40 IFAB O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 32909090 GEGDZCBNIYCNLT-UHFFFAOYSA-N 443.447 2.697 0 40 IFAB O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)N=C1c1ccc(Br)cc1 35432643 RYMXZGZXOABCOY-UHFFFAOYSA-N 448.342 2.549 0 40 IFAB O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc2ccccc2c1 36411604 ZABDMWSPOXGERT-UHFFFAOYSA-N 430.574 2.517 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc3c(c1)OCO3)O2 38849366 HOGPFXGLNBUUPC-IBGZPJMESA-N 432.498 2.879 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 40159416 XTHYBPLMMMIITD-QGZVFWFLSA-N 436.343 2.887 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855435 STFPYEBJPOMYHV-JXFKEZNVSA-N 430.526 2.941 0 40 IFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(-n3cccn3)nc2)CC1 48301041 XUTVPTZUKFHCOL-MRXNPFEDSA-N 437.479 2.583 0 40 IFAB CCCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 48302632 JQRUHHHJIAXMHV-CALCHBBNSA-N 447.557 2.598 0 40 IFAB CCc1noc(-c2cc(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)c3ccccc23)n1 49401301 BJXNEKIXAIXHKC-UHFFFAOYSA-N 432.436 2.659 0 40 IFAB COC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318317 PSLCRODNKQRPPA-QFIPXVFZSA-N 426.561 2.726 0 40 IFAB COC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1cc(NC(C)=O)ccc1OC 58003976 VTBRRXRBTMXRHG-UHFFFAOYSA-N 440.905 2.671 0 40 IFAB CCN(CC)[C@H](CNC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)c1ccco1 58006302 NMFXLRNENXECPG-QGZVFWFLSA-N 435.546 2.542 0 40 IFAB CCN1CCN(CCCNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)CC1 58776137 CCQHXWVAFZIXCO-QFIPXVFZSA-N 436.600 2.836 0 40 IFAB CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 60166503 UGQDGUGXVZVGTJ-IBGZPJMESA-N 439.512 2.734 0 40 IFAB O=C1C[C@H](c2ccccc2)N(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CCN1 65500774 WBNWVUHYFDJTFT-HXUWFJFHSA-N 438.505 2.957 0 40 IFAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1c(C)nn(Cc2ccccc2)c1C 71286045 BVJBITFNSZNKNP-GOSISDBHSA-N 426.469 2.784 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cn3cccnc3n2)C1 72352251 MGKTWWWTASZGEC-HNNXBMFYSA-N 449.536 2.950 0 40 IFAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 89919283 WNSCZWSGMRWXFJ-JXFKEZNVSA-N 442.965 2.976 0 40 IFAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c1 95455470 SRTXINLTTFFUKR-UHFFFAOYSA-N 440.587 2.949 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn12 95474041 FIROJLYMDIRMDX-ROUUACIJSA-N 439.589 2.963 0 40 IFAB CO[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)s1 96104820 ZFODNLYXBGTHMM-QGZVFWFLSA-N 444.600 2.653 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3[C@@H]4CO[C@H](O4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1OC 100249551 IPPSBXJDMFQYLG-JSWPWIJPSA-N 433.460 2.853 0 40 IFAB biogenic,in-vitro CC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@H](C)c5ccccc5)CC4)nn3c(O)c2C1 100729265 DRBMLNWRTWEBHE-MRXNPFEDSA-N 447.539 2.849 0 40 IFAB COc1ccccc1CNC(=O)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 101432499 YDOJAJLHHSYYSM-QFIPXVFZSA-N 429.476 2.716 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1OC 216397663 VCXRTKRKQMAVNU-UHFFFAOYSA-N 432.542 2.602 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225514432 GUHJKKBNGDVYEU-ZWKOTPCHSA-N 432.542 2.680 0 40 IFAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1S(=O)(=O)N1CCCC1 408699796 ZJACCDVPSMAQHM-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB Cc1cccn2cc(CC(=O)N3CCNC(=O)[C@@H]3c3ccc(Br)cc3)nc12 527279544 UUVDBUUQBBUNJT-SFHVURJKSA-N 427.302 2.647 0 40 IFAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C 575424950 CSKCKEGWAYNQRS-QGZVFWFLSA-N 437.027 2.558 0 40 IFAB Cc1cc(C)cc(OC[C@@]2(O)CN(Cc3ccc(OCCN(C)C)cc3)CC[C@@H]2O)c1 585287626 PREYIOIFADIZPH-DQEYMECFSA-N 428.573 2.621 0 40 IFAB CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2093871 YTGPCJHCAKRFAW-HKBOAZHASA-N 436.556 2.505 0 40 IFAB biogenic CCCCn1cnc2c1c(=O)n(Cc1ccc3c(c1)OCO3)c(=O)n2Cc1ccccc1 8725472 UXTXKJRJIMMZOF-UHFFFAOYSA-N 432.480 2.985 0 40 IFAB Cc1nc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)nc(-c3ccccc3)c2s1 8955021 HOTRYEAJZPPUGB-UHFFFAOYSA-N 434.477 2.874 0 40 IFAB Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc1C 9119121 QAKNZCXPSPHWKI-UHFFFAOYSA-N 443.544 2.879 0 40 IFAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 9125998 DNBFBDKQOGIAIW-HXUWFJFHSA-N 449.960 2.502 0 40 IFAB Cc1cc(C)n2c(SCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)nnc2n1 9244623 PDDYBDSLVNDGIQ-UHFFFAOYSA-N 425.923 2.529 0 40 IFAB CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)cc1OC 9262273 JAKQDUVMHAJTGF-MOPGFXCFSA-N 425.441 2.783 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N(CC)CC)cc1 9379297 KOWHMFRPACPOLF-UHFFFAOYSA-N 433.530 2.944 0 40 IFAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1 9584652 MIKJGLAOBUGRDW-QHCPKHFHSA-N 435.484 2.559 0 40 IFAB O=C(CCc1nc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9665658 DGEKTMMHOWEGOT-UHFFFAOYSA-N 439.537 2.782 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1 9835811 IKEATKONWUQSQP-QZTJIDSGSA-N 427.848 2.671 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 9862140 ULXVDMVWTPQFOV-ZIAGYGMSSA-N 448.570 2.508 0 40 IFAB CCCc1cnc2c(c1SCC(=O)Nc1ccc(OCC)cc1)c(=O)n(C)c(=O)n2C 10216715 BXDJOMBVSWTCCF-UHFFFAOYSA-N 442.541 2.714 0 40 IFAB Cc1cccc(OCC(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)c1 11914027 PKTGMFPTJYAECH-CQSZACIVSA-N 442.331 2.945 0 40 IFAB CC(C)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029771 CJDZNSGUVUZSMR-QGZVFWFLSA-N 437.539 2.687 0 40 IFAB CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 12231480 HEALBVRUDUKZAP-UHFFFAOYSA-N 426.908 2.811 0 40 IFAB COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c(C)nc2c1 12745326 PDEBDWMYGLGUIG-UHFFFAOYSA-N 443.500 2.838 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 12855496 RVRPFCIZAQLDHU-RBZFPXEDSA-N 437.279 2.963 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 13008961 NNTUFSIJBCDWPC-UHFFFAOYSA-N 436.516 2.567 0 40 IFAB COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)NCCC(=O)O 13124176 WEYSIQTZCWWOOC-VBKFSLOCSA-N 447.285 2.820 0 40 IFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)c(C)c2)no1 13505884 NDTSCOGMFVKAKQ-IBGZPJMESA-N 442.516 2.647 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(F)c2)NC(=O)N1c1cccc(C(=O)O)c1 14247170 ZWFLCRMNCUNDBN-HXUWFJFHSA-N 439.443 2.928 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccc3c(c2)OCO3)cc1 15391115 VUOOKPLLQMHKSM-QGZVFWFLSA-N 446.525 2.674 0 40 IFAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 15617886 DEWKZEMXYJSELE-UHFFFAOYSA-N 430.574 2.687 0 40 IFAB CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CC1 16045939 CUJDZDDBCSXMDP-UHFFFAOYSA-N 431.562 2.825 0 40 IFAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCn2nccc2C)C1 19238395 DCUPYVUDPCBKNG-RUZDIDTESA-N 431.540 2.851 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19503303 WYOLSFJUTGPWBE-IBGZPJMESA-N 437.569 2.946 0 40 IFAB CCN1CCN([C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527905 BKFITQUJYDHHFZ-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccccn2)CCO1 19580745 MQDQISJOWJNGOA-RUZDIDTESA-N 430.508 2.686 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2ccccn2)CCO1 19580767 YEFQYBVQTMLJJA-VWLOTQADSA-N 430.508 2.686 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3N)C2)ncc1C(=O)NCc1ccc(F)cc1 19765510 KIZLQJWIUZUAOE-KRWDZBQOSA-N 448.502 2.851 0 40 IFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 20458948 QQFKUUWOHRISFQ-KZNAEPCWSA-N 427.636 2.633 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907569 IBZITHODTCDIMZ-OAQYLSRUSA-N 447.491 2.921 0 40 IFAB CCCCNC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 23324154 RBFCRTFKGVALPU-UHFFFAOYSA-N 434.890 2.831 0 40 IFAB O=C(CCC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 29670046 CJWLCGMVLCEGOY-UHFFFAOYSA-N 434.492 2.852 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 30345906 CGCKCJBWOPNUJO-BSEYFRJRSA-N 449.463 2.848 0 40 IFAB CCOC(=O)c1ccn(-c2cccc(NC(=O)CCn3cnc4ccccc4c3=O)c2)n1 31789394 JYUNYFROSNNGSK-UHFFFAOYSA-N 431.452 2.788 0 40 IFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1ccc(F)c2cccnc12 32913748 AFKLNGWHIFORNI-UHFFFAOYSA-N 427.457 2.936 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2C(F)(F)F)cc1 35128762 MNDUSMVSFZCIMR-UHFFFAOYSA-N 437.374 2.576 0 40 IFAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1cccc(Cl)c1 40113579 CFXKNFZWINBIJF-UHFFFAOYSA-N 425.938 2.662 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 44905678 OCFWRHYDASUPNW-YCRPNKLZSA-N 448.541 2.888 0 40 IFAB COCCCNC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1 57425920 NUEODGGZCKWMLY-UHFFFAOYSA-N 433.555 2.760 0 40 IFAB CN1CCC(N(C)C[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccccc2)CC1 58393241 KFIQZDNQCPWLPC-HSZRJFAPSA-N 436.604 2.577 0 40 IFAB CCn1nc(C)c2nc(SCC(=O)NC(C)C)n(Cc3cccc(OC)c3)c(=O)c21 64817437 APUVNJOEDNTAFC-UHFFFAOYSA-N 429.546 2.595 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccc(SC)cc3)C3=C2COC3=O)cc1 71326823 MZTAGCOFNFLMNP-HXUWFJFHSA-N 439.493 2.933 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)c1 71327419 ZBFBAKNFGTUUJU-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 78870192 ADXBOFQKLIIMII-INIZCTEOSA-N 441.513 2.567 0 40 IFAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)cc1 89391833 AATYEUKBSWVAMB-BJMVGYQFSA-N 437.315 2.864 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 89639021 YIFLAGPLGPTTLD-XNTDXEJSSA-N 440.974 2.955 0 40 IFAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89840142 VWOIMEQOADRASI-LJQANCHMSA-N 443.562 2.829 0 40 IFAB Cc1nc(-c2ccc(N3CCN(C(=O)c4sc(-n5cccc5)nc4C)CC3)nc2)no1 90558832 GCLWIDKFJGKPCD-UHFFFAOYSA-N 435.513 2.958 0 40 IFAB Cc1ccc(NC(=O)NC(=O)COC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1C 95466501 IMFVCQKFUOEHKI-UHFFFAOYSA-N 432.502 2.788 0 40 IFAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)Cc2ccc(C)cc2)CC3)C1=O 96144380 YNMCDEYNMMSDPT-AREMUKBSSA-N 447.583 2.695 0 40 IFAB COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)nc2ccc(C(F)(F)F)cn2c1=O 96232265 BAXLEZFKZWUGKU-CYBMUJFWSA-N 436.342 2.812 0 40 IFAB CCC(CC)[C@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)N(C)C 97166142 SAJHBPXTPYUFMX-AWEZNQCLSA-N 435.384 2.865 0 40 IFAB Cc1cc(C)n(CCCC(=O)N2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)c(=O)n1 100145840 JLZNJYZBBATQLC-SFTDATJTSA-N 449.555 2.575 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 100890817 BYJIJEYTAYEKQH-ZWKOTPCHSA-N 427.848 2.589 0 40 IFAB O=C(c1ccc(Oc2ncccn2)cc1)N1CCN(c2cnnc(N3CCCC3)c2)CC1 207978982 FTNHNYNLAWYMHQ-UHFFFAOYSA-N 431.500 2.622 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219436116 RYIHOMKLQLWDRS-HNNXBMFYSA-N 443.525 2.778 0 40 IFAB CS(=O)(=O)N1CC[C@@H](C(=O)NCCCN2CCCc3ccccc32)Oc2ccccc21 222750659 VGFHUSYWVLLPGP-QFIPXVFZSA-N 443.569 2.563 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 223200004 IWXZBGJLHVLJLI-HNNXBMFYSA-N 430.526 2.938 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCCN1CCc2ccccc21)c1ccccc1F 225499615 NJLQNVLAHYRTNJ-UHFFFAOYSA-N 433.549 2.941 0 40 IFAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC1)CC2=O 248335841 NVNULBQAVAEJCL-PMOQBDJRSA-N 445.585 2.741 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 257248685 JETQDQFWQCQCOU-UHFFFAOYSA-N 437.606 2.858 0 40 IFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1)NC1CCCC1 257298763 RNFAHEFLTNFARP-LSQMVHIFSA-N 429.605 2.926 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 260622213 RWGRIAADLRVALB-AEFFLSMTSA-N 432.542 2.982 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cc(Cl)ccc1Cl 260888294 AIHKRBLQWANGMI-ZDUSSCGKSA-N 445.324 2.716 0 40 IFAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccnc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306123056 ADMQFTCXBKCIGN-PXDATVDWSA-N 444.539 2.913 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(Cc4ccccn4)C[C@@H]3c3cccnc3)C2=O)cc1 306138711 SEWGFURLIKUMSB-RSXGOPAZSA-N 444.535 2.882 0 40 IFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830797 NMQXWZJALRATTH-MRXNPFEDSA-N 431.510 2.789 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 408595062 SZFGCBBMNOUCBZ-UHFFFAOYSA-N 447.340 2.613 0 40 IFAB Cc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NC(=O)c1ccc(Cl)cc1 408624653 RBDJPKVVOHHIBF-UHFFFAOYSA-N 437.949 2.511 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 408645521 LVYRMVAEVCKDHO-UHFFFAOYSA-N 438.889 2.644 0 40 IFAB O=C(CC(O)CC(=O)N1CCC=C(c2ccncc2)C1)N1CCC=C(c2ccncc2)C1 565145067 IJLSVAJKEYCFQP-UHFFFAOYSA-N 432.524 2.549 0 40 IFAB Cn1c2ccccc2c2cc(S(=O)(=O)N3CCN(C(=O)c4ccccn4)CC3)ccc21 618755351 ZTHCVTBWRASLQM-UHFFFAOYSA-N 434.521 2.873 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1NS(=O)(=O)c1ccc(N)cc1 1653134 AQBDGKDMMUBZJZ-UHFFFAOYSA-N 432.527 2.761 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2cccs2)c(=O)[nH]1 2712450 PXUYUPUNOOBSHW-UHFFFAOYSA-N 445.526 2.795 0 40 IFAB COc1ccccc1/C=C/C=c1\sc2nc(=O)c(Cc3ccc(Cl)cc3)nn2c1=O 3653447 PXWWAIZEUFZWQO-AGASNCOBSA-N 437.908 2.977 0 40 IFAB CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O 5493138 FYWMZXAKXGNCRK-SPTHLGFZSA-N 436.508 2.668 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 5519903 RXEWNYZQGWEPRF-BHIYHBOVSA-N 425.547 2.821 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6300143 OMPAYOFHZAZPJB-QGZVFWFLSA-N 441.919 2.647 0 40 IFAB Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(Cl)cc1 8774827 QYBDOHIVTXYVLI-UHFFFAOYSA-N 442.951 2.578 0 40 IFAB COc1cc(C)ccc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9090146 ZTGDNEANLRAPDL-UHFFFAOYSA-N 433.443 2.799 0 40 IFAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(c2ncccn2)CC1 9126481 ZAJWCOHTJBBSBF-HSZRJFAPSA-N 431.540 2.662 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c1 9215921 GZTQCXJVWRACPJ-UHFFFAOYSA-N 434.525 2.871 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1C 9263817 YZQNKDGPYJPVKK-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O 9283828 RFXGFQITSZOYEO-XMMPIXPASA-N 432.432 2.978 0 40 IFAB COc1ccc(CCNC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1OC 9321069 MSGHUYNFBKDHAZ-UHFFFAOYSA-N 432.480 2.539 0 40 IFAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1OC 9327539 CTLIFFVWOWYBJL-UHFFFAOYSA-N 432.480 2.805 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)c(OC)c3)c2C(N)=O)C1 9347501 HSJNKYRZLOBKLM-UHFFFAOYSA-N 433.486 2.631 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NCCC(C)C)[C@@H]5C3=O)nc2c1 9410650 NPPRPFRBLXMZIG-UVLLPENVSA-N 427.526 2.754 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2o1 9439003 PZDHOQPSUZCOLM-UHFFFAOYSA-N 447.538 2.888 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)Nc1ccc(OC)cc1OC 9892518 GQHXQCRPIKDASM-OXJNMPFZSA-N 442.512 2.959 0 40 IFAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 10635267 SPBIBWHKZIVCPK-NSHDSACASA-N 433.386 2.814 0 40 IFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)c4ccc(F)cc4F)nn23)c1 11693912 IMHAKFNKBJYMKV-UHFFFAOYSA-N 425.395 2.887 0 40 IFAB O=C(CSc1nc(CC(=O)N2CCN(c3ncccn3)CC2)cs1)c1cccs1 11694994 HEOPXIUMIGUXOR-UHFFFAOYSA-N 445.595 2.861 0 40 IFAB COc1cc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1OC 12506771 SMOPPHJSUJGHKL-SFHVURJKSA-N 429.864 2.965 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2n[nH]c3ccccc23)ccc1C 12548288 ZHEVVNMNZNAJOJ-UHFFFAOYSA-N 444.513 2.697 0 40 IFAB CC[C@@]1(C)NC(=O)N(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O 12567014 VZDMPIJZMQTRLF-VGOFRKELSA-N 442.903 2.953 0 40 IFAB CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1cccc2ccccc12 12776355 QPPZFMUEXZZDBD-YDUAIELLSA-N 435.476 2.923 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 12805133 CTMAFZUAORQRTO-UHFFFAOYSA-N 432.546 2.596 0 40 IFAB O=C(CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccccc1Br 12944882 ZKLUXFDLINDHRL-HNNXBMFYSA-N 430.302 2.553 0 40 IFAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2sccc2C(N)=O)s1)C1CC1 13128698 IEAODKLEHFPMPA-MRVPVSSYSA-N 425.561 2.723 0 40 IFAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 13533235 YQGQZXSVHHUDGF-UHFFFAOYSA-N 441.431 2.919 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)S(=O)(=O)C1=Cc2ccccc2CC1 14228439 NVQNCHCOKNPQHQ-IBGZPJMESA-N 449.598 2.608 0 40 IFAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 14333582 DVUMDQULNYOVSO-OFNKIYASSA-N 437.540 2.946 0 40 IFAB CCc1cccc(CC)c1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 15048912 LJVONDQMFVGURI-JOCHJYFZSA-N 437.540 2.876 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 16009899 RPEYWJZYNISSLF-ORGXJRBJSA-N 425.485 2.504 0 40 IFAB O=C(N[C@H](ON1C(=O)[C@@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 16476700 CRHXCVKJKBPJKB-JKSUJKDBSA-N 431.659 2.788 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1cc(-c2ccco2)on1 18225018 DKTVUERNXCWOQA-UHFFFAOYSA-N 446.481 2.632 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2c[nH]nc2C)CCO1 19697662 NLCSQCXISYRVAS-INIZCTEOSA-N 428.514 2.523 0 40 IFAB Cn1cc(C(=O)N2CCO[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 19762577 ODHXNXXMERLTEY-IBGZPJMESA-N 448.508 2.891 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1N1CCCC1=O 20487140 NDQRDPFUXNHIFI-UHFFFAOYSA-N 440.525 2.795 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(F)c(F)c1 22250516 NPTWUKAXLCDJQF-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB O=C(CN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCOCC1 22356903 LYYWGVQYFUPTOO-UHFFFAOYSA-N 445.567 2.516 0 40 IFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1CCCN(c2cnccn2)C1 29754360 CZAMDDXCMZPWKX-AWEZNQCLSA-N 437.422 2.689 0 40 IFAB COc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c(OC)c1OC 30000159 FHJZYMWNCRBJJR-HXUWFJFHSA-N 427.545 2.821 0 40 IFAB C[C@H](NC(=O)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc2c(c1)OCCO2 31127775 CBRMCVVELFZARQ-ZACQAIPSSA-N 431.533 2.576 0 40 IFAB Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)CC2)c1 31234801 DYFJBTJOEWPTLV-DEOSSOPVSA-N 448.611 2.715 0 40 IFAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccccc1CS(=O)(=O)N1CCOCC1 32706131 XQQLFRPYLTYDAY-UHFFFAOYSA-N 442.581 2.586 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 33643493 HHNRAGXMGFZJFL-UHFFFAOYSA-N 438.571 2.519 0 40 IFAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)/C=C/c3cccs3)c2n1 36655799 NVEJCHXICNUNKD-AATRIKPKSA-N 444.586 2.666 0 40 IFAB O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1cccnc1OCC(F)(F)F 40074508 NSARMRMBBJQNBS-UHFFFAOYSA-N 429.782 2.718 0 40 IFAB Cn1c(=O)n(C)n(-c2ccc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2)c1=O 40146617 SZISXYMDIIONQK-JOCHJYFZSA-N 428.492 2.589 0 40 IFAB CCOC(=O)c1cnc2c(OC)ccc(OC)c2c1NCc1ccc(S(N)(=O)=O)cc1 48303000 PRJKAYOAEAWMOD-UHFFFAOYSA-N 445.497 2.688 0 40 IFAB CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48309959 LJFRXIZFMRFJOZ-UHFFFAOYSA-N 443.979 2.914 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)nn2)cc1 49405971 KGFYIKVNMKIHLQ-UHFFFAOYSA-N 432.528 2.676 0 40 IFAB O=C(Cn1nc(C2CC2)cc1C(=O)N1CCCC1)N1CCN(c2ccc(Cl)cc2)CC1 49420848 CMSAMGMUNGHOTG-UHFFFAOYSA-N 441.963 2.999 0 40 IFAB O=C([C@H]1CCCCN1C(=O)/C=C/c1cc(Br)ccc1F)N1CCOCC1 65603725 REJWDFYGLPQYMO-BBOMDTFKSA-N 425.298 2.841 0 40 IFAB C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1CCN(c2nccn2C)CC1 72308099 CNRLAVPQHBGYAO-ZDUSSCGKSA-N 432.500 2.971 0 40 IFAB O=C1C[C@H]([C@H]2CCCN(C(=O)CCn3nc(O)ccc3=O)C2)Oc2ccc3ccccc3c21 72342305 WTFNJXAJINRQBU-LAUBAEHRSA-N 447.491 2.765 0 40 IFAB CCOC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1oc(CO)cc(=O)c1O 72401611 AGOBCWNOHSDYCD-IBGZPJMESA-N 425.437 2.897 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1cnc2c(C)cccn2c1=O)c1ccc(Br)cc1 95459400 BLQKMAYISNYUQF-MRXNPFEDSA-N 444.285 2.800 0 40 IFAB O=C(COc1ccc(Cl)cc1)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 96024221 KXCQARZMEZYLEC-UHFFFAOYSA-N 440.931 2.841 0 40 IFAB CCN1[C@H]2CCN(C(=O)c3cccc(OC)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145719 WVBYMZPCDJDVGE-OALUTQOASA-N 430.526 2.772 0 40 IFAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(OCC)cc3)cc2)C1 141312131 CLXYLBYNAKUUMD-QGZVFWFLSA-N 439.512 2.982 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOc3ccccc32)C1 222624409 YLECDNBMQQKWFB-OAHLLOKOSA-N 434.489 2.661 0 40 IFAB COC(=O)c1cn(C(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c2ccccc12 222631387 UMUJDNVWGTWIMC-AWEZNQCLSA-N 430.482 2.931 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1C(=O)NCC(C)C 223260096 PWPJIHYXUUYEFG-UHFFFAOYSA-N 438.575 2.648 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 223404671 NCXIVPHXTQENAJ-OAQYLSRUSA-N 430.501 2.645 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223455818 QOHSHVURXWHTJB-FQEVSTJZSA-N 426.513 2.952 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccccc4)no3)ccc21 223915153 OQHOXLMBNLQHDH-UHFFFAOYSA-N 426.498 2.856 0 40 IFAB Cc1nnc2c(N3CCC(NC(=O)Cc4ccccc4Br)CC3)nccn12 390828653 BNEOFDYVBZYZDA-UHFFFAOYSA-N 429.322 2.523 0 40 IFAB COC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408623302 PYGLYESATYAPKJ-OAHLLOKOSA-N 440.949 2.691 0 40 IFAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 408714291 NEEUQRFQQLEWCC-ZIAGYGMSSA-N 435.373 2.830 0 40 IFAB CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(Cc2[nH]c3ccccc3c2C)CC1 585294125 PNAKALFSMITXST-UHFFFAOYSA-N 427.545 2.871 0 40 IFAB CN1CCCCN(C(=O)CCN2CCCC2=O)CCCOc2ccc(Cl)cc2C1=O 643557950 BFRYUJLIRRSMGA-UHFFFAOYSA-N 435.952 2.816 0 40 IFAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)NCCO)ccc21 643577112 FZDHLBMEGZYNJU-UHFFFAOYSA-N 431.577 2.707 0 40 IFAB CC(C)CC(=O)N1CCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)CC1 1117672102 BOXPHZFPYKZDSA-UHFFFAOYSA-N 428.514 2.769 0 40 IFAB Cc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1NC(=O)c1ccco1 3486534 RHRRCPYTMHAMDY-UHFFFAOYSA-N 427.438 2.796 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2C(=O)Nc2ccc(Br)cc2)cc1 4389273 OHPSBVZWKNQWQR-UHFFFAOYSA-N 436.291 2.929 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4C[C@@H]3C)CC2)c(C)c1 6586592 LVAPSRPSWHGOEV-IBGZPJMESA-N 427.570 2.588 0 40 IFAB O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1cccc(F)c1 8992110 HDVLVBJRFSDZHB-UHFFFAOYSA-N 437.475 2.803 0 40 IFAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9184096 XMTWSZZUXFWIRN-OAHLLOKOSA-N 448.545 2.590 0 40 IFAB CS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccccc2Cl)C1 9421818 YVZWEYLIQKZKBE-QGZVFWFLSA-N 427.935 2.822 0 40 IFAB COc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1S(=O)(=O)N(C)C 10448582 CKQYJIDATFHLRD-UHFFFAOYSA-N 431.518 2.832 0 40 IFAB COc1ccc(C(C)=O)cc1COC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 11304896 UBVYGBCIHPKICZ-UHFFFAOYSA-N 433.482 2.512 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)ncn3n2)cc1 11666430 RSBXMNZBMQWESB-UHFFFAOYSA-N 449.467 2.613 0 40 IFAB Cc1ccc(COc2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c(CO)cc2=O)cc1 12231209 OHZVUDGESOHMCS-UHFFFAOYSA-N 436.464 2.638 0 40 IFAB CCCCn1c(S[C@@H](C)C(=O)Nc2ncccn2)nc2cc(C(=O)OC)ccc2c1=O 12269206 JVROVGRESMDSQZ-ZDUSSCGKSA-N 441.513 2.893 0 40 IFAB CC(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CN2CCN(c3ccccc3)CC2)on1 12482965 VVFSGKKGILQEOM-SFTDATJTSA-N 439.604 2.680 0 40 IFAB biogenic,in-vitro COC(=O)[C@@H]1Cc2ncn(C(C)C)c2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 12530297 PDLLLAKBQZOIGB-HNNXBMFYSA-N 431.436 2.771 0 40 IFAB biogenic,in-vitro Cn1cc(/C=C/C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c(=O)n(C)c1=O 12824280 NBCUKBLEXUXEGU-GNUPBWFGSA-N 427.504 2.511 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)C1=Cc2cc(Cl)ccc2OC1 12883447 KKJQVXBQBLQCKZ-UHFFFAOYSA-N 444.871 2.731 0 40 IFAB O=C(NC1CC1)c1ccc(/C=C/C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 12908650 QPJZMGPJZRUYKK-GSXXRBPTSA-N 444.578 2.869 0 40 IFAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccc(Cl)cc1 12992672 MFBZTXWNMAIUQQ-GOSISDBHSA-N 428.964 2.943 0 40 IFAB COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 13012091 BQCCEZFEQVSKFP-UHFFFAOYSA-N 443.525 2.500 0 40 IFAB CC(=O)N[C@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 13085057 AOOGJKNDLFJIEL-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB COc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 13100638 RWFMAUIQOVSISW-UHFFFAOYSA-N 439.295 2.634 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 13685114 QIMOELSQNGPMHJ-UHFFFAOYSA-N 441.509 2.777 0 40 IFAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(N2CCOCC2)ccn1 14068556 KYFWPXLCKPYRMQ-UHFFFAOYSA-N 425.514 2.617 0 40 IFAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(c3ccccn3)CC2)no1 15673389 GPUVLEKQIYPLNB-PMACEKPBSA-N 425.577 2.919 0 40 IFAB biogenic,in-vitro Cc1nc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)nc2c1CCCN2Cc1ccccc1 19706933 YUOAPBYNUKKPCL-JOCHJYFZSA-N 449.599 2.776 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 19708828 PWUIBYJANIRAEN-QGZVFWFLSA-N 437.544 2.760 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20021150 TXSIJGYFTDGGNV-HNNXBMFYSA-N 438.571 2.589 0 40 IFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2ccccn12)c1cccs1 21927241 NUEOWLSCGJCUDY-SFHVURJKSA-N 444.520 2.930 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 22385916 BUHINJUYCFAUKV-HNNXBMFYSA-N 448.445 2.953 0 40 IFAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23135395 CUYOIIGXISMQPH-UHFFFAOYSA-N 448.475 2.906 0 40 IFAB Cc1nc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)sc1C(=O)N(C)C 23477229 MHUKQLASUKXCEB-UHFFFAOYSA-N 435.981 2.563 0 40 IFAB Cc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)n1 24570353 YRQXPLGAQPZHHN-UHFFFAOYSA-N 446.598 2.903 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)c1 27976747 OBCFNYOVEKDMJF-AWEZNQCLSA-N 426.494 2.836 0 40 IFAB Cc1nc(-c2ccc(CCNC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)s2)cs1 29439767 NPDIBSMYYLSHME-GOSISDBHSA-N 439.566 2.959 0 40 IFAB O=c1cc(CN2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)nc2sccn12 32760642 NECLLPCGLMZFIU-UHFFFAOYSA-N 449.565 2.849 0 40 IFAB COc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 44885167 DHRHJWXRGNMLHC-UHFFFAOYSA-N 430.570 2.986 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCc4ccccc43)c2=O)c1 57426875 HFOFPCLMQVSQBF-UHFFFAOYSA-N 447.516 2.871 0 40 IFAB C[C@@H]1CN(c2ccc(NC(=O)C3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@@H](C)O1 58416142 RJSRFNXBYRYRMM-HUUCEWRRSA-N 427.542 2.630 0 40 IFAB CCCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2cc(C)[nH]c2c1=O 67238514 AFSNVWFDHAZJKK-UHFFFAOYSA-N 428.514 2.970 0 40 IFAB Cc1nc(-c2cccs2)sc1C(=O)NCCn1nc(-n2ccnc2C)ccc1=O 77197023 GKQXSLSKWNMYTL-UHFFFAOYSA-N 426.527 2.661 0 40 IFAB CCN1CCN([C@@H]2CCN(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)C2)CC1 89977317 WJGCXLAAYCGWTC-MRXNPFEDSA-N 437.491 2.558 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=c2/o[nH]c(C)c2C)cc1 95348936 DHWXIYNVWZHTFS-RELWKKBWSA-N 439.490 2.762 0 40 IFAB Cc1ccc(N2C(=O)CN(CCc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 96355806 JOQNRNPOIGXDDM-VQTJNVASSA-N 436.936 2.844 0 40 IFAB CCCC(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C(C)(C)C)C4)nn3c(O)c2C1 100234487 SSKLXKHWFOYNEF-HNNXBMFYSA-N 427.549 2.872 0 40 IFAB O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc1)C2=O 102070919 HKNADBLVFFYSLE-KFMSBCHRSA-N 430.416 2.721 0 40 IFAB CCn1ncc(-n2c(S)nnc2C23C[C@@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)c1C 102639214 VLDXSBXWISHEAJ-XSYNCLLFSA-N 425.566 2.623 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)ccc2N1 106027676 NOPNEMYKYWNYHD-HXUWFJFHSA-N 449.960 2.577 0 40 IFAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136918783 PSWBNFCDLVFUFQ-HRCADAONSA-N 434.496 2.563 0 40 IFAB biogenic CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 215726868 JMKRFBBLBJZNBX-QFIPXVFZSA-N 449.507 2.520 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC 223930166 KGINNCHFIHHJJS-UHFFFAOYSA-N 430.526 2.824 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1N1C(=O)CCC1=O 224487551 URKRRTROMFSNHM-UHFFFAOYSA-N 432.498 2.614 0 40 IFAB Cc1cc(C)c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c(C)c1 225049638 VNEUDZPALPOBOP-UHFFFAOYSA-N 433.555 2.930 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4cccc(C)c4)no3)ccc21 225846658 FAZPWGZPDFATMT-UHFFFAOYSA-N 426.498 2.823 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@H]3CCCO3)nn2c(C)c1CCC(=O)N1CCCC1 257247190 IXVVVGCXTGGQFN-NHCUHLMSSA-N 439.560 2.744 0 40 IFAB COc1cc([C@@H](CC(=O)NCc2c(C)noc2C)c2oc(C)cc(=O)c2O)ccc1O 524731138 LHKPWGIJYFCJEK-OAHLLOKOSA-N 428.441 2.811 0 40 IFAB biogenic COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cc1-n1cnnn1 542885494 LVBFGYJKTOPUDZ-UHFFFAOYSA-N 432.528 2.799 0 40 IFAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)c1cn(C)c2ccccc12 585097501 KOFREVKMBGWGNP-KRWDZBQOSA-N 442.523 2.846 0 40 IFAB CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)N=C1SCC(=O)NCc1ccco1 625398 UOZDIZUOHWKNJW-YBEGLDIGSA-N 429.498 2.905 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccco1 3316573 DNRCLRAFDYDHME-UHFFFAOYSA-N 440.477 2.504 0 40 IFAB CC(C)N(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)C 3326914 RYNZSQZVPPWLGZ-ZDUSSCGKSA-N 438.468 2.561 0 40 IFAB Cc1nc2ncnn2c(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c1Cc1ccccc1 4415930 MGOWEMXFPBIWCE-FQEVSTJZSA-N 434.544 2.535 0 40 IFAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 8917062 OWQGUVWYYAEYSY-QRWLVFNGSA-N 439.489 2.924 0 40 IFAB O=C(c1cccnc1Cl)N(CCS(=O)(=O)N1CCCCCC1)Cc1cccnc1 8990346 HSDYXGZLIBFOLE-UHFFFAOYSA-N 436.965 2.978 0 40 IFAB COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1OC 9011990 PWMQBAAJQGLVMB-BWKNWUBXSA-N 449.507 2.536 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)ccc1C 9127960 FLMDQMLKCJPIHX-UHFFFAOYSA-N 444.561 2.651 0 40 IFAB Cc1ccc(NC(=O)CN2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9130996 BYEJRWKJCMLZKU-UHFFFAOYSA-N 447.582 2.567 0 40 IFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H](O)COc1c(C)cccc1C 9282850 FTMSLTXZWYLQJL-QGZVFWFLSA-N 441.528 2.819 0 40 IFAB O=C1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)n2nc(SCc3ccccc3)nc2N1 9289585 CUIYHEOYGPFANR-HNNXBMFYSA-N 437.481 2.864 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCCc5ccccc54)C3=O)n2)cc1 9417472 KJUGDOWTKCEOEY-HSZRJFAPSA-N 429.484 2.789 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 9447387 IALIETWQYPRFGJ-UHFFFAOYSA-N 435.480 2.922 0 40 IFAB CN1CCC2(CC1)C[C@@H](NC(=O)CCc1nc3ccccc3c(=O)[nH]1)c1ccccc1O2 9494141 RBTDROBTCLRASB-HXUWFJFHSA-N 432.524 2.960 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)Cc3c[nH]c4ccccc34)CC2)c(F)c1 9655109 OKSOPHKEDVQJFN-UHFFFAOYSA-N 437.471 2.944 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@@H]1c1ccccc1 10433665 LEPYKVADZAXJGU-HXUWFJFHSA-N 428.510 2.948 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]([C@H](NC(C)=O)c3nccs3)C2)cc(OC)c1OC 12157886 FKXYTPGULVBQGC-KSSFIOAISA-N 433.530 2.899 0 40 IFAB COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)c(OC)c1 12228499 UXPMAXZKTHNCPT-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCN1C(=O)COc2ccccc21 12733236 AENXPVJAFALVDJ-UHFFFAOYSA-N 435.402 2.918 0 40 IFAB COc1ccccc1OCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 12781124 WAOVSSACBWJNSH-UHFFFAOYSA-N 432.542 2.608 0 40 IFAB Cn1c(-c2ccncc2)nn(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1=S 12913831 ZRSNJJZVZCBMHP-OAHLLOKOSA-N 435.600 2.721 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCOCC1 13056776 ZSAGFNLULMEJGA-MBUYQLGJSA-N 448.585 2.911 0 40 IFAB Cc1cc(S(=O)(=O)N2CCN(C(=O)CCc3ccco3)CC2)ccc1Br 14197069 KAYPIAOMTOWXKZ-UHFFFAOYSA-N 441.347 2.816 0 40 IFAB Cc1nc(N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c2c3c(sc2n1)CCC3 17590546 MVJXKBIRRHOKAA-UHFFFAOYSA-N 447.586 2.994 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(I)c2)cc1 19173923 DIWFFKDEBCVBBX-UHFFFAOYSA-N 430.267 2.510 0 40 IFAB CNc1cc(C2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)nc(CN(C)C(C)=O)n1 19710107 BFAVYAXEQIWURK-OAHLLOKOSA-N 437.544 2.840 0 40 IFAB COc1ccc(C)cc1CC(=O)N1CCC[C@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760836 UWUUMXADSNLJHU-FQEVSTJZSA-N 439.560 2.744 0 40 IFAB CCOC(=O)[C@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccco1)C(F)(F)F 19939974 DJFJSOAUANDPAQ-IBGZPJMESA-N 444.406 2.681 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 20236964 DQIYQEJUZPKIAH-UHFFFAOYSA-N 427.276 2.583 0 40 IFAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N1CCN(CCO)CC1 20650109 LJRWHIKVPWPAKW-UHFFFAOYSA-N 442.899 2.629 0 40 IFAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1 21011302 AVBKIZNVFZZGED-UHFFFAOYSA-N 438.922 2.917 0 40 IFAB COc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 23076352 LEHRHMDJUKSKAG-QGZVFWFLSA-N 437.496 2.996 0 40 IFAB O=C(NCC(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(Oc2ccccc2)cc1 23866189 VUJQSNIDUDCEKS-UHFFFAOYSA-N 430.508 2.948 0 40 IFAB C[C@@H](NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2)C(=O)O 25077099 LPBCXOFEYIFTLF-GFCCVEGCSA-N 429.469 2.744 0 40 IFAB biogenic O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1NC(=O)c1ccccc1)NCc1ccccc1 27516669 QHIFZOVOEHPPTM-NRFANRHFSA-N 442.475 2.875 0 40 IFAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 30847213 GXKPYDBMNJPCOI-SFHVURJKSA-N 426.542 2.960 0 40 IFAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 32895613 RYMPTARTYBKJGT-HUUCEWRRSA-N 440.997 2.987 0 40 IFAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 32910580 SEPUTKUTLPCDQI-FUHWJXTLSA-N 448.545 2.578 0 40 IFAB CCc1cccc2c(C(=O)CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c[nH]c12 35392684 OLDOSMJKIYLYQH-QHCPKHFHSA-N 433.508 2.897 0 40 IFAB CC(=O)N1CCN([C@@H](C(=O)O)c2c(C(=O)O)n(Cc3ccccc3)c3ccccc23)CC1 36358789 QFPBDRXGTZBFNT-OAQYLSRUSA-N 435.480 2.678 0 40 IFAB Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c(C)c1 36709253 KXMWVEIQOHNBGM-UHFFFAOYSA-N 433.516 2.568 0 40 IFAB Cc1cc(Cl)cc2sc(N(C[C@@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc12 38840632 HFUSPNIATVMDQW-ZDUSSCGKSA-N 431.967 2.662 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1N1CCCC1=O 44872737 XFRHNHZVSZGEJZ-UHFFFAOYSA-N 443.569 2.896 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 48263965 DXTWXKAYWFCBQL-PHIMTYICSA-N 443.875 2.919 0 40 IFAB Cc1nn(C)c2ncc(NC(=O)N3CCN([C@@H](C)C(=O)Nc4cccc(F)c4)CC3)cc12 58024686 ASOKDIUDIZEYFA-HNNXBMFYSA-N 439.495 2.593 0 40 IFAB COc1cccc([C@H](C)NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 67317119 SGUYBOASLWJQEH-AWEZNQCLSA-N 427.530 2.729 0 40 IFAB COc1ccc(NC(=O)c2cnc(N3CCN(c4cccc(OC)c4)CC3)nc2N)cc1 67336543 OMMDUFPZRNIIRC-UHFFFAOYSA-N 434.500 2.655 0 40 IFAB COc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccn3)cc2)cc1 67896715 GILOAZPQDXXODC-ISKFKSNPSA-N 447.491 2.804 0 40 IFAB biogenic,in-vitro CC(=O)c1c(C)nn(CC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)c1C 72327808 LTOBMBOSIRGUMM-CYFREDJKSA-N 438.528 2.724 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C(=O)O)c3)CC2)cc1C 95425099 UEFPFRMGNAHHMS-UHFFFAOYSA-N 430.526 2.719 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 96344257 YFJYUYZYERXWEV-QGZVFWFLSA-N 435.503 2.836 0 40 IFAB CCc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@H]32)cc1 101168913 BENCHFZVYZZRJZ-MOPGFXCFSA-N 441.875 2.843 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(C(=O)N(C)C)cc3)s2)cc1 223384349 BAPFYVHIKAXKAN-UHFFFAOYSA-N 445.526 2.601 0 40 IFAB COc1cccc(O[C@H]2CCN(C(=O)c3nnn(-c4ccc(F)cc4)c3C)CC[C@@H]2O)c1 257223470 DXMQVKQFUJGGFJ-SFTDATJTSA-N 440.475 2.768 0 40 IFAB Cn1cc(C(=O)NC[C@H]2CC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)CC2)ccc1=O 257234248 GSTPUHTXZGCRHZ-DOXZYTNZSA-N 428.558 2.646 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 408559148 LMVASJDJADYTJG-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408591402 MARIEDVRUJKFDP-UHFFFAOYSA-N 430.885 2.811 0 40 IFAB COc1cc(Oc2ccccc2)ccc1NS(=O)(=O)CCCS(=O)(=O)N(C)C 555120848 BRULEQKBJOXBNY-UHFFFAOYSA-N 428.532 2.511 0 40 IFAB Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585292050 JIWMEEZNRAZAJW-CSHXORCISA-N 446.559 3.397 0 40 IFAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1=O 643556522 MQEXQGZIADOBAU-RUZDIDTESA-N 445.604 2.580 0 40 IFAB Cc1nnc2n1C[C@@H](C(=O)NCC1(c3ccc(Br)cc3)CCOCC1)CC2 676808841 XYGIMDZTXVHJBR-HNNXBMFYSA-N 433.350 2.776 0 40 IFAB COc1ccc(CN2C(=O)CO[C@H](C(=O)Nc3cc[nH]n3)[C@@H]2c2ccccc2)c(OC)c1 1565519410 OLUXFMXTUWBQJZ-VXKWHMMOSA-N 436.468 2.534 0 40 IFAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3cccc(Br)c3)CC2)n1 1889138824 PKDMLFUTHKPRGG-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(Cc1nccs1)C2 2037818647 DCAUMMKYRLIVAN-QHCPKHFHSA-N 440.569 2.610 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1OC 1353360 VZMZKCGCUXSDOW-UHFFFAOYSA-N 427.530 2.747 0 40 IFAB COC(=O)CN1C(=S)N(c2cccc(Cl)c2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 1440158 NIMOTXBYOJZHOZ-MRXNPFEDSA-N 449.891 2.983 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O 3382075 QNHRQFZMDRNJFH-PEBXRYMYSA-N 449.935 2.636 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3621700 HKFIONILYGNVHH-INIZCTEOSA-N 428.510 2.606 0 40 IFAB CC(=O)c1cccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)c4ccnc(Cl)c4)CCN3C2=O)c1 3840309 ZUSJAUCAWAWMSI-RDJZCZTQSA-N 426.860 2.667 0 40 IFAB biogenic,in-vitro COc1cc(C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8690144 KLMLPGSFVRXZFT-KRWDZBQOSA-N 437.489 2.681 0 40 IFAB CCOC(=O)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 8776030 LCEUPRHSZHLQEK-UHFFFAOYSA-N 435.454 2.501 0 40 IFAB COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 9243781 CWUVSGLYBVMUDJ-UHFFFAOYSA-N 433.443 2.643 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)sc(C(C)=O)c1C 9670302 YAIVAXFKMHALCH-UHFFFAOYSA-N 435.454 2.801 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3-n3cnnn3)n2)s1 9712114 QBIUHUWBIDSQMN-UHFFFAOYSA-N 425.499 2.736 0 40 IFAB O=C([C@H]1CN(C(=O)CSc2nc3ccccc3o2)c2ccccc2O1)N1CCOCC1 9755669 YIVQWRGDQFKHAW-LJQANCHMSA-N 439.493 2.573 0 40 IFAB COC(=O)Cn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(NC(C)=O)ccc21 9809199 RTQZJBSMVAZNPZ-LNVKXUELSA-N 427.482 2.731 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(N1CCOCC1)c1sccc12 9971162 DARCUAZIRNWVDK-UHFFFAOYSA-N 435.918 2.662 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1I 10544248 YAYABTKNCNYTBQ-UHFFFAOYSA-N 447.294 2.966 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)c1 12521299 UQKMZRJRIHOPRU-UHFFFAOYSA-N 431.558 2.636 0 40 IFAB Cn1c(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)nc2ccccc21 12540396 COPKWKASDMEMCB-RUZDIDTESA-N 441.491 2.810 0 40 IFAB O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1cccnc1 12638710 YMBPZPSJJDAYQP-UHFFFAOYSA-N 439.479 2.967 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2)C[C@@H](C)O1 12854447 JBBQHJJPCZKZMD-HDICACEKSA-N 428.554 2.946 0 40 IFAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCN(c2ccccn2)CC1 12896522 DJJUZRUHBYLBSI-UHFFFAOYSA-N 437.550 2.930 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 12998130 XNPBAZDZBIXKOV-HNNXBMFYSA-N 441.347 2.978 0 40 IFAB O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 13007830 YWLZWGBINRWHEH-QGZVFWFLSA-N 434.945 2.996 0 40 IFAB O=C1COc2ccc(C(=O)CSc3nnc([C@H]4COc5ccccc5O4)o3)cc2N1 13120260 PMSRLYCZLIAXNV-QGZVFWFLSA-N 425.422 2.888 0 40 IFAB COCCNC(=O)[C@@H](c1cccs1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 13508623 KOFJUXZMHKBFSP-OAQYLSRUSA-N 443.573 2.871 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)NC(=O)N1c1cccc(C(=O)O)c1 14241886 VZEWQWHUDRMAPJ-HXUWFJFHSA-N 439.443 2.928 0 40 IFAB CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C1CCCCC1 15488972 KHVPARFOHPRHLO-UHFFFAOYSA-N 443.560 2.841 0 40 IFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)cc1 16755993 ZWYZOFFFAPUNDN-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 16899428 LHLHIJGSQSQNKX-AWEZNQCLSA-N 445.444 2.794 0 40 IFAB COC(=O)c1csc(N2N=C3c4ccc(OC)cc4CC[C@@H]3[C@]2(O)C(F)(F)F)n1 16957624 GUGKDIFGPJWWEK-SJCJKPOMSA-N 427.404 2.976 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2cnc3c(sc4ccccc43)c2=O)CC1 16973345 VQKCZCWSULTGMG-UHFFFAOYSA-N 434.521 2.969 0 40 IFAB CCN(CCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C)c1cccc(C)c1 17841277 CYCQJPVSSYNPAK-NRFANRHFSA-N 442.585 2.701 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3OC)CC2)cc1 18076166 WSRXTSFEOBDPQA-UHFFFAOYSA-N 432.542 2.763 0 40 IFAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(C)=O)CC3 19017965 VYQSANZSJIOGPL-HXUWFJFHSA-N 449.511 2.716 0 40 IFAB O=C(CN1CCCC1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 19337801 HKWVSYGVAQMVOK-DNVJHFABSA-N 436.531 2.773 0 40 IFAB CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C 19625715 GGIMTQBHAMRFCK-UHFFFAOYSA-N 432.883 2.726 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1CN(C)CC2 19710521 PWZOBHYIUDARQO-SFHVURJKSA-N 448.571 2.653 0 40 IFAB O=S1(=O)CC[C@@H](Cc2nnc(SCCOc3cccc(Br)c3)o2)C1 21624194 SQUKDVNHCZEELB-NSHDSACASA-N 433.349 2.980 0 40 IFAB COc1ccc(N(CC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1Cl 22337895 IEFVVHUSXRYOMK-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB Cc1cc(C)c2cc(C(=O)OCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)[nH]c2c1 28499824 QKAATSGGTCTMQC-UHFFFAOYSA-N 443.525 2.508 0 40 IFAB CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)c3ccco3)C=C2C)CC1 30879916 LXZGXHPCYMWMKB-ACRUOGEOSA-N 429.561 2.945 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(OC)cc4c(=O)c3C2)c(OC)c1 33129307 ILWSDINXHGTLRF-UHFFFAOYSA-N 437.496 2.859 0 40 IFAB CNC(=O)c1ccc(CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C2CC2)cc1 34878947 PGXHTDMJJMBFNS-UHFFFAOYSA-N 449.960 2.755 0 40 IFAB COc1ccc(C[C@H]2CC[C@@H](CCC(=O)N[C@@H]3CN4[C@@H]3SC(C)(C)[C@H]4C(=O)O)O2)cc1 36369523 VDDXUGGVJSQYDR-QOLKULSZSA-N 448.585 2.671 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccc(OC)cc3)C2=O)c1 36589767 AHHTZASPXDEEPT-LJQANCHMSA-N 439.468 2.916 0 40 IFAB Cc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 38292135 CMJBRAWVEOFHOE-SFQUDFHCSA-N 427.570 2.572 0 40 IFAB Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 38488088 CSZNQWCGWAOJMD-UHFFFAOYSA-N 435.484 2.759 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCSCc1ccccc1C)O2 38853072 RQRPLMLWBBYIQQ-HXUWFJFHSA-N 434.583 2.880 0 40 IFAB Cc1nn2c(nnc3c(=O)n(NC(=O)COc4ccccc4)ccc32)c1-c1ccc(F)cc1 40392023 KLUYCVPLMZNGTI-UHFFFAOYSA-N 444.426 2.703 0 40 IFAB COc1ccc(OCC(=O)NCc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)cc1 41078174 ZCSJSQYXOKTQBV-UHFFFAOYSA-N 436.493 2.830 0 40 IFAB O=S(=O)(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCCCC1 48279553 AOCJZSXJLDFFQD-UHFFFAOYSA-N 447.580 2.758 0 40 IFAB CCc1ccccc1NC(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O 57505800 VXMRILSDVRHPAJ-UHFFFAOYSA-N 442.523 2.963 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 61997747 DUCDUPOOEQNADY-PBQROFAYSA-N 431.492 2.743 0 40 IFAB biogenic Cc1cc(-c2cc(=O)n(CC(=O)NCCN3CCC[C@@H](C)C3)nc2-c2cccs2)on1 72337286 OAZZXFYRKULIDD-OAHLLOKOSA-N 441.557 2.783 0 40 IFAB Cc1nc(C2CCN(C(=O)c3ccnn3C)CC2)nc2c1CC(=O)N2CCc1ccccc1 72371961 ZZRHSPFWWGKIKT-UHFFFAOYSA-N 444.539 2.670 0 40 IFAB COc1cccc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 77197814 RWYPBYFFMVGDKY-QWHCGFSZSA-N 438.406 2.856 0 40 IFAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 89840141 VWOIMEQOADRASI-IBGZPJMESA-N 443.562 2.829 0 40 IFAB O=C(NC1CCCC1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1cccnc1 96143117 RDIICHIQVDSOAP-JOCHJYFZSA-N 426.542 2.839 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 113945058 HRRJLBITEQSXMD-WMZOPIPTSA-N 432.542 2.982 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 220168963 WBLZGMXVRVDZOD-INIZCTEOSA-N 445.541 2.724 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 223830807 KFJOZQAHTBAKMS-UHFFFAOYSA-N 441.845 2.501 0 40 IFAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224264018 HDEKAGFFBMEJHY-NRFANRHFSA-N 434.558 2.906 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 225483003 WWZSZDKACMSADE-GOSISDBHSA-N 446.569 2.988 0 40 IFAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(OC)c(S(N)(=O)=O)c3)c2)cs1 226044710 IXZMSSWAWCGRJQ-UHFFFAOYSA-N 448.526 2.769 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@@]4(Br)[C@@H](C2)N(C)CC[C@@]341 253504260 DOUIIQXGCWGWBD-RYFZRTLDSA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)CN2CCC3(CC2)CN(S(C)(=O)=O)C(C)(C)C3)cc1Cl 257207914 BJXMSEZNKMBHCM-UHFFFAOYSA-N 443.997 2.813 0 40 IFAB CN(C)C(=O)CN1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257247180 IXVLQGMYBOWQGT-GOSISDBHSA-N 426.439 2.512 0 40 IFAB COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)C1 257273508 NGWCYGCWKNLMAC-IQGLISFBSA-N 448.523 2.944 0 40 IFAB CC(C)(C)OC(=O)N1CCC2(C/C=C/CNC(=O)c3ccccc3OCCNC2=O)CC1 257306907 SWNOHNRPAPYACJ-VOTSOKGWSA-N 443.544 2.889 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(C)c1 408668173 VAGTZIMYJUUCMR-KHDMTIDOSA-N 426.513 2.841 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709672 FENADHLDDZWZKY-CRAIPNDOSA-N 437.496 2.979 0 40 IFAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575414870 MNPALRNTNPGCCZ-LJQANCHMSA-N 430.917 2.923 0 40 IFAB Cc1ccccc1N1CCC(O)(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 585287596 PKNJSJAEQBISCO-RUZDIDTESA-N 444.547 2.608 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)cc1C(N)=O 1889291091 XUIWJWBLQCVHCL-UHFFFAOYSA-N 442.541 2.687 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)c(OC(C)=O)c(OC)c1 1436771 AGQRJLDAZBIEQC-AWEZNQCLSA-N 443.319 2.739 0 40 IFAB COc1ccc(C(=O)N2CCCN(C)CC2)cc1S(=O)(=O)N1CCCc2ccccc21 2655642 FYCHBOBKOLFOKO-UHFFFAOYSA-N 443.569 2.614 0 40 IFAB Nc1ccc(C(=O)O)c(NC(=O)c2ccc(C(=O)Nc3cc(N)ccc3C(=O)O)cc2)c1 3014416 TWKMQNTYLQPSBF-UHFFFAOYSA-N 434.408 2.752 0 40 IFAB COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1 3309464 GRPFFRUWJFDTTI-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCOC)c1cccs1 8772935 AXSMYWSHZIIPON-HXUWFJFHSA-N 429.546 2.625 0 40 IFAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccccc2OC)cc1 9014432 JOJFOEIKLCSKBF-UHFFFAOYSA-N 445.479 2.750 0 40 IFAB O=c1[nH]nc(SCc2nnc(-c3ccc(Br)s3)o2)n1C[C@H]1CCCO1 9050015 SQPXIDMODOPBNI-MRVPVSSYSA-N 444.336 2.917 0 40 IFAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCN(c2ccc(F)cc2)CC1 9207450 SUNUWSNOHLTCDO-MRXNPFEDSA-N 437.566 2.709 0 40 IFAB COc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1S(N)(=O)=O 9254863 ZCEFOYKSNIGAAG-UHFFFAOYSA-N 431.333 2.836 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 9403367 SPFHQSRGNRTRJC-MGSUUYSMSA-N 436.574 2.968 0 40 IFAB C[C@@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 9509716 GXTMJZXSPXTDGQ-SNVBAGLBSA-N 430.408 2.502 0 40 IFAB NC(=O)c1nn(CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c(=O)c2ccccc12 9712053 VRLQLRXZGWSSLW-KRWDZBQOSA-N 447.520 2.859 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc2cnccc12 11666897 OYTCBVBAROHIPJ-UHFFFAOYSA-N 427.482 2.517 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]c2=O)cc1 12348284 NASMYRVQMBZADN-UHFFFAOYSA-N 442.497 2.512 0 40 IFAB CCn1c(CCC(=O)N(C)Cc2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 12525316 XXRRJFLUJLEYKV-UHFFFAOYSA-N 434.587 2.959 0 40 IFAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)[C@H](C(=O)N1CCCC1)c1ccccc1 12692174 FYFNBSLVIJIBJI-VWLOTQADSA-N 434.584 2.626 0 40 IFAB Cc1c(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(=O)oc2c(C)c(O)ccc12 12890813 CXOCPHOCIPYECK-SJORKVTESA-N 434.492 2.856 0 40 IFAB biogenic CC(C)(C)c1noc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 13002376 HESCASPAYVVAKB-UHFFFAOYSA-N 449.396 2.698 0 40 IFAB CC(C)Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2c1=O 13147905 DZXDHGGWZLCLIA-UHFFFAOYSA-N 428.514 2.555 0 40 IFAB O=C(CCNC(=O)c1ccsc1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 18948659 ANCXEOXTECRNKJ-UHFFFAOYSA-N 427.482 2.725 0 40 IFAB CN1C[C@@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)CC1=O 19083926 YXOCXMPPIPWYKY-YHUYYLMFSA-N 437.535 2.888 0 40 IFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 19297443 IHMWWJOMDYJDEC-UHFFFAOYSA-N 438.480 2.743 0 40 IFAB Cc1c(C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)oc2ccccc12 19566104 QIGLESSXHJAWBI-CQSZACIVSA-N 439.497 2.602 0 40 IFAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)CC2=CCCOC2)n1 19700932 KRLMTTVHOGEUED-KRWDZBQOSA-N 425.508 2.956 0 40 IFAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 19816535 WEPWGHLDFICIKA-CYBMUJFWSA-N 442.497 2.709 0 40 IFAB COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1 19897852 NVWDQRQDZRPILY-IBGZPJMESA-N 430.501 2.524 0 40 IFAB biogenic COc1cccc(OCCOC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 19938590 YDRHHGWWKANBLI-OAQYLSRUSA-N 434.964 2.923 0 40 IFAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2nc3ccccc3s2)CC1 22798037 NJNGIHHWTMRNDD-ZDUSSCGKSA-N 429.571 2.602 0 40 IFAB CCC(CC)[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCOCC1 22899043 KRDJYVKZIRGDHA-OAQYLSRUSA-N 426.561 2.925 0 40 IFAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23989563 IDGFLORWCUGEMT-NRFANRHFSA-N 437.565 2.640 0 40 IFAB CCCc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 27817650 ZWKXKCZWQCWYDJ-NSHDSACASA-N 449.396 2.914 0 40 IFAB CCSc1nnc(NC(=O)[C@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)s1 32777939 NNTJSPCVBUGYQC-GFCCVEGCSA-N 437.572 2.592 0 40 IFAB O=C(Cn1nc2c3cc(-c4ccc(Cl)cc4)nn3ccn2c1=O)NCc1ccccc1 38487401 SCLUOUCQKMSSID-UHFFFAOYSA-N 432.871 2.781 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN(C)CC(F)(F)F)cc1 40109007 GYLSECTZWYMLOT-OAHLLOKOSA-N 435.512 2.864 0 40 IFAB Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(N3CCCC[C@@H]3C)nn2)CC1 42379768 BXECVJKTGQPGAX-KRWDZBQOSA-N 433.553 2.814 0 40 IFAB COc1cc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc(OC)c1 51317034 PUDBXHFGLCFLLZ-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 57291792 LVCPWAVVKBPXEE-UHFFFAOYSA-N 447.461 2.657 0 40 IFAB COc1ccc(CNC(=O)c2nsc(C(=O)NCc3cccc(OC)c3)c2N)cc1 67246174 XAEQVIRTABAJBD-UHFFFAOYSA-N 426.498 2.603 0 40 IFAB Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c1CCO 67316827 PTPJDFVMQBJMBF-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB Cc1cc2ncn(C[C@H](O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C 71949254 FUAMUSMYDLJIHB-NBGIEHNGSA-N 432.524 2.970 0 40 IFAB COc1ccc2cc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)[nH]c2c1 72338809 KMKBYFQZRJBBED-NRFANRHFSA-N 440.525 2.759 0 40 IFAB COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1OC 72395629 KRNDEWOEWIEFAW-JKSUJKDBSA-N 435.475 2.767 0 40 IFAB O=C(Cn1c(=O)c(Br)cn(Cc2ccccc2)c1=O)Nc1cccc(F)c1 89841006 FKBDTDYRDLTBMV-UHFFFAOYSA-N 432.249 2.599 0 40 IFAB O=C1C[C@@]2(CN1)CN(C(=O)Nc1ccccc1)CCN(C(=O)c1cccc(Cl)c1)C2 96143363 MJWMLACAQSWQAA-QFIPXVFZSA-N 426.904 2.836 0 40 IFAB O=C1[C@H]2[C@H]3C=C[C@H]([C@@H]4C(=O)N(c5ccccc5F)C(=O)[C@@H]43)[C@H]2C(=O)N1c1ccccc1F 217580171 ZAOKSCPLTUYESP-CEYLTPQGSA-N 434.398 2.692 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1nnc(SC)s1 222995613 RZTRFQDAVCAXBX-UHFFFAOYSA-N 442.588 2.624 0 40 IFAB CCCSc1nnc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)s1 225425158 RFDRTVDZBAFMOC-CYBMUJFWSA-N 428.561 2.596 0 40 IFAB Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 225776805 PBGKHZCPSFXJMF-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2)no1 225831973 SZPKZUXACVMVSB-GOSISDBHSA-N 444.513 2.606 0 40 IFAB Cc1cc(C)n(CCCC(=O)N(C)C[C@]2(O)CCCN(c3ccnc4ccncc34)C2)n1 257302545 SDGXEJQBDHNEGB-XMMPIXPASA-N 436.560 2.713 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n(C)n2)C1 257328707 XGTVPGDJIIXMHZ-HXUWFJFHSA-N 431.443 2.565 0 40 IFAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C(=O)c1cnc(N3CCCCC3)nc12 306130057 IVJVMGLGUKVPBO-UHFFFAOYSA-N 447.583 2.964 0 40 IFAB Cc1cccc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccncc4)C3=O)C2)n1 306136189 PLXBHQDYTMRSRC-NBGIEHNGSA-N 444.539 2.567 0 40 IFAB COc1ccc(C)cc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O 408621033 NWWPNVWUEXFGKL-UHFFFAOYSA-N 445.585 2.735 0 40 IFAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409056376 DGLQMPVKAFMBTB-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB CC(=O)N1CC[C@@H](CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 556929935 GOOIQAGJUPFMTQ-ZDUSSCGKSA-N 432.874 2.955 0 40 IFAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1889090989 SBBRVFMENCZFOM-KRWDZBQOSA-N 434.374 2.559 0 40 IFAB Cc1ccsc1S(=O)(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncc(F)cn3)C2)C1 2055806644 IBPMHFGYKOBDKY-MRXNPFEDSA-N 432.493 2.912 0 40 IFAB Cc1c(NC(=O)[C@H](C)OC(=O)[C@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C 3253288 GUCZUGHFTACTDK-SGTLLEGYSA-N 426.300 2.939 0 40 IFAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C)s1 3442189 CTMNBWAGRYTLPH-INIZCTEOSA-N 437.521 2.986 0 40 IFAB COc1ccc(-c2cc(C(=O)OCC(=O)N3CCOCC3)c3ccccc3n2)cc1OC 3463955 PULACCVQLWHVHI-UHFFFAOYSA-N 436.464 2.935 0 40 IFAB COc1ccc(NC(=S)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 6136689 QLNWEMTYZDCAOX-UHFFFAOYSA-N 441.509 2.847 0 40 IFAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)C[C@@H]1Oc2ccccc2NC1=O 7735807 OHKWFVJTRYRQCJ-FQEVSTJZSA-N 425.485 2.507 0 40 IFAB CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)O 8876584 VBSMQFULBREILW-ZDUSSCGKSA-N 435.498 2.516 0 40 IFAB biogenic COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 9210331 ARSLEFRKURPQHN-HNNXBMFYSA-N 449.486 2.881 0 40 IFAB CCn1c(CNC(=O)c2ccco2)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 9328622 SGBMFXVSXMWSCV-GFCCVEGCSA-N 443.485 2.669 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 9418435 RPUDAMLERHQJSW-LPHOPBHVSA-N 429.542 2.923 0 40 IFAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3C/C=C/c2ccccc2)n(C)c1=O 9707560 NYGJNQYFZXAEJF-RMKNXTFCSA-N 444.470 2.511 0 40 IFAB CCCCCCn1c(N2CCN(Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 9714081 HTWYOGCWEZDUEE-UHFFFAOYSA-N 438.576 2.634 0 40 IFAB Cc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1 9860696 JHMUMASOYFUPKC-VQTJNVASSA-N 443.594 2.956 0 40 IFAB COc1ccccc1C(=O)N1CCN(c2nc3c(S(C)(=O)=O)cccc3s2)CC1 10337261 TYWIEXYLLQSEFP-UHFFFAOYSA-N 431.539 2.671 0 40 IFAB COc1cccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 11050707 PUWHOTLIZZQVDY-UHFFFAOYSA-N 427.478 2.943 0 40 IFAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 11904514 QAUFYJCFDFCOHX-UHFFFAOYSA-N 434.417 2.573 0 40 IFAB CCN(C(=O)CN1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1)[C@@H]1CCS(=O)(=O)C1 12187916 SJCWNWHOYKYBAD-HXUWFJFHSA-N 432.586 2.579 0 40 IFAB COc1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c(OC)c1 12228273 KWLNKWXSORLFHD-UHFFFAOYSA-N 437.431 2.686 0 40 IFAB CCCn1nnnc1COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 12526195 PJWCVTHTEHYKRE-UHFFFAOYSA-N 433.465 2.688 0 40 IFAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 12537237 QZFPAPBMMYRMJD-QGZVFWFLSA-N 427.501 2.656 0 40 IFAB O=C(CCNC(=O)c1ccccc1Cl)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 12847654 DXEYQBZYCFYQOP-FQEVSTJZSA-N 433.911 2.789 0 40 IFAB Cc1cc(C(=O)CN2C[C@H](C)C[C@@H](C)C2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 13095284 RQWULUOKLMKSFB-HZPDHXFCSA-N 449.555 2.896 0 40 IFAB COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1S(=O)(=O)NC1CC1 13119818 PGRNUFFYSFOSHH-UHFFFAOYSA-N 429.494 2.664 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1 13623687 PCUUOKUGPLLYRE-QGZVFWFLSA-N 433.505 2.501 0 40 IFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1Br 14163053 UBBPIINIEUZIFN-MRXNPFEDSA-N 437.315 2.993 0 40 IFAB C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1 16340065 XPBBZVMOWBSPOI-CYBMUJFWSA-N 445.894 2.839 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1 19370654 BPKYFPRIAMRGNY-OAQYLSRUSA-N 443.551 2.672 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1 19370662 XICHFURBLIPHHO-OAQYLSRUSA-N 443.551 2.672 0 40 IFAB COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)c2scnc2C)C3)c1 19701095 NLEGMLWOHUOODF-UHFFFAOYSA-N 437.525 2.566 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)ncc1C(=O)Nc1ccccc1 19765226 GBZMUEKAKVEVJA-QGZVFWFLSA-N 431.496 2.756 0 40 IFAB COc1cc2c(cc1OC)-c1cc(N3CCN(Cc4ccccc4)CC3)nc(=O)n1CC2 20358195 IRDMNGACOBQWBV-UHFFFAOYSA-N 432.524 2.806 0 40 IFAB biogenic Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nn(C)cc32)c(C)c1 21713911 JKCYDKHZWNBTDB-UHFFFAOYSA-N 449.486 2.648 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 24609055 ZWAJRWGSLAYYHC-UHFFFAOYSA-N 430.526 2.947 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)Nc1ccc(Cl)cc1 25100115 FBNJKLJUQPOVNJ-INIZCTEOSA-N 442.855 2.911 0 40 IFAB COc1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1OCC(=O)N1CCOCC1 25607336 JFXSVBASBCMCKQ-SFHVURJKSA-N 442.537 2.900 0 40 IFAB O=C1CSc2sc3c(=O)n(C[C@H](c4ccccc4)N4CCOCC4)cnc3c2N1 32624521 OTULDXHGUGPGTP-CQSZACIVSA-N 428.539 2.576 0 40 IFAB O=S1(=O)CC[C@@H](N(Cc2ccco2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 33047796 IZNSMRYXGVCPIE-GFCCVEGCSA-N 439.433 2.556 0 40 IFAB Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCc3ccccc32)c(Cl)cc1Cl 44226549 SVSKWXUHEJICHO-UHFFFAOYSA-N 449.381 2.973 0 40 IFAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 44839753 MJBPFNKGQHPAGK-FQEVSTJZSA-N 434.514 2.512 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 49006637 NJWBGLFSTXFRFJ-UHFFFAOYSA-N 442.435 2.860 0 40 IFAB CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3ccc(-n4cnnn4)cc3)cn2)cc1 49028218 CJTIIQVPVAKXOH-UHFFFAOYSA-N 445.483 2.704 0 40 IFAB C[C@@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4cccc(Br)c4)nc23)C1 49399877 VYVIJKPNBRLOOK-CYBMUJFWSA-N 445.321 2.529 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 57851529 ASDCVEAEDKYLDK-SFHVURJKSA-N 443.569 2.840 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 58344549 HNPBCRCZIPTJJA-UHFFFAOYSA-N 428.496 2.972 0 40 IFAB CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 60999174 NLPMHIVIYRKUEX-IBGZPJMESA-N 446.910 2.824 0 40 IFAB C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(C(C)(C)C(N)=O)CC1 72308865 ZQRSIVOMWSUHIK-QGZVFWFLSA-N 441.601 2.582 0 40 IFAB CNc1nc(C2CCN(C(=O)[C@H](c3ccccc3)N3CCCC3)CC2)nc2c1CCNC2 72372412 AHYPVPZRPDKHHO-QFIPXVFZSA-N 434.588 2.707 0 40 IFAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 72372922 DZKVSKRUCJJLCI-HXUWFJFHSA-N 444.605 2.856 0 40 IFAB C[C@H](NC(=O)CN1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1cccc2ccccc12 95432348 VGZDXPCHLSSYJO-ROUUACIJSA-N 429.528 2.665 0 40 IFAB COc1ccc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)nc1I 95444728 JQAWFGOOTOGFCJ-JHJVBQTASA-N 431.318 2.791 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 95457946 HWSGFJILDTUHAT-MSOLQXFVSA-N 427.520 2.820 0 40 IFAB COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 108164651 UXBCDFOHCFWTSB-JBYIUTFZSA-N 434.558 2.585 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 222670266 YZXUZFFMBBOHMO-UHFFFAOYSA-N 430.526 2.589 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223154640 ZEFAZNCZFOLXCG-OAHLLOKOSA-N 433.530 2.627 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224857118 CRTPYOUYQNXYBU-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225470657 LPBQBHBYGDSGEM-IBGZPJMESA-N 445.585 2.557 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225686076 VXNOMDUGLKEANM-LLVKDONJSA-N 439.563 2.852 0 40 IFAB COc1ccc(CN2[C@H]3CC[C@H]2c2cnc(N4CCC[C@@H](O)C4)nc2C3)c(OC)c1OC 247834590 IPKNTFCPZCVGHR-QKLQHJQFSA-N 440.544 2.725 0 40 IFAB CC[C@]1(C(=O)OC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 253606583 VFIODVKIYYZUET-KCESLBEFSA-N 426.444 2.606 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1c2ccccc2C[C@H]1C 260845662 VREOPXDOHITAJZ-MSOLQXFVSA-N 445.585 2.807 0 40 IFAB O=C(Cc1ccco1)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306123241 AIFNBQYLESVCRG-RCZVLFRGSA-N 449.482 2.780 0 40 IFAB Cc1nc(CN2CCC[C@]3(CN(Cc4ccncc4)C[C@H]3c3ccnn3C)C2=O)cs1 306128911 HOCRLAYYHMJINE-NZQKXSOJSA-N 436.585 2.988 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NCCCO 408635400 ALOPHDZGUCSDMJ-UHFFFAOYSA-N 433.313 2.672 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(C)c2)cc1C 408674711 GDVAKLMFUXXMNE-UHFFFAOYSA-N 431.558 2.565 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 408713682 LRDXZBAXWFWWOI-GOSISDBHSA-N 432.517 2.820 0 40 IFAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409065316 FXYRDBUJWRNRNV-WFZBXURCSA-O 430.484 2.720 0 40 IFAB Cc1ccccc1[C@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1)NC(N)=O 536277722 INMVVAMWEWFIAL-HKUYNNGSSA-N 448.445 2.813 0 40 IFAB Cc1cccc(O[C@H]2CCN(Cc3ccc(OCCN4CCNC4=O)cc3)C[C@]2(C)O)c1 585271444 AAECXPUWVLBKOL-ZCYQVOJMSA-N 439.556 2.803 0 40 IFAB COCC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 585288227 YWXVWKOYFYHLHM-QFIPXVFZSA-N 426.504 2.588 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cc(C)no3)CCO2)C1=O 643557256 RHWCXROWOOZVEN-XMMPIXPASA-N 441.528 2.848 0 40 IFAB CN(CCO)C(=O)CN1CCCCCCOc2ccccc2Nc2ncccc2C1=O 643585155 RFAAWKNQVQOABB-UHFFFAOYSA-N 426.517 2.671 0 40 IFAB O=C(Cn1c(S)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(F)cc1 1889260057 RONFLBWNKDZOGN-OAHLLOKOSA-N 425.489 2.861 0 40 IFAB Cc1ccsc1S(=O)(=O)N1CCC2(CC1)CN(CC(C)C)C[C@@]21CCN(C)C1=O 2055795902 SCNSYJFATBYMJL-OAQYLSRUSA-N 439.647 2.648 0 40 IFAB CN(C)C(=O)c1cccc(COc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2Cl)c1 538490 WJHBDAIAIDOONY-UHFFFAOYSA-N 428.924 2.806 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)NCc1cccs1 3389802 GLRYRIZDHXJDQH-UHFFFAOYSA-N 447.538 2.703 0 40 IFAB COC(=O)c1sc(NC(=O)CSc2nncn2-c2ccccc2)c(C(=O)OC)c1C 3452669 NIONEVMRKPRNIJ-UHFFFAOYSA-N 446.510 2.941 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1C 3545203 SSUCDAYPAKSPCL-UHFFFAOYSA-N 426.878 2.687 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2ccccc2n1 9244538 UWARTWLUYWWPAZ-OAQYLSRUSA-N 441.509 2.948 0 40 IFAB CCOC(=O)C1=NN(c2ccc(OC)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 9304093 IBNDXLOODJGBRG-PKOBYXMFSA-N 441.871 2.954 0 40 IFAB CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)CCC3)c(=O)n2Cc1ccccc1 9315027 NWNLUTAPKXSVBT-UHFFFAOYSA-N 443.507 2.555 0 40 IFAB COc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 9519217 SWNPMAWWYZSGBJ-INIZCTEOSA-N 431.496 2.741 0 40 IFAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 9704233 OGJOFJGLAAZEPH-UHFFFAOYSA-N 435.473 2.503 0 40 IFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9712098 NDRLVDJVGVPSGU-UHFFFAOYSA-N 446.492 2.666 0 40 IFAB CCOC(=O)C1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)CC1 9794596 VDVTZKGSXVLNAF-UHFFFAOYSA-N 425.514 2.709 0 40 IFAB COc1ccc(S(=O)(=O)CC(=O)N(CCN(C)C)c2nc3c(C)cccc3s2)cc1 10219248 LPEQHDRPUVXCNL-UHFFFAOYSA-N 447.582 2.982 0 40 IFAB CN1C(=O)c2ccc(C(=O)OCc3nc4ccccc4c(=O)n3Cc3ccco3)cc2C1=O 10755842 YFRGDBSAQODFNZ-UHFFFAOYSA-N 443.415 2.621 0 40 IFAB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 11077183 YLSBIIHGYBYINU-JOCHJYFZSA-N 443.525 2.619 0 40 IFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCn1c(=O)oc2ccccc21 12812438 BISNTLIHNGSEKR-UHFFFAOYSA-N 437.374 2.980 0 40 IFAB Cc1nc2ccc(S(=O)(=O)NCCCn3nc(-c4ccco4)ccc3=O)cc2s1 13799746 JHROZXMNGGSGGH-UHFFFAOYSA-N 430.511 2.790 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 14162260 VUFKBQQNFVJRIP-DEOSSOPVSA-N 436.512 2.749 0 40 IFAB Cc1cccc2c(=O)n(CC(=O)Nc3cc4c(cc3Br)OCCO4)cnc12 14197487 DWNXYMKOKRQGJS-UHFFFAOYSA-N 430.258 2.877 0 40 IFAB CCn1nnc2cc(C(=O)OCC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)ccc21 14705345 BATYRQYHVOYUAY-UHFFFAOYSA-N 446.511 2.786 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 15952742 XNPZFQAKMSFDDL-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB COC(=O)c1c(NC(=O)c2cccc(S(C)(=O)=O)c2)sc2c1CCN(C(C)C)C2 17113382 ZUJQWZJVYIWLEW-UHFFFAOYSA-N 436.555 2.957 0 40 IFAB COc1ccc(C(=O)N2CCCC[C@@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)=O)CC4)cc1 19017949 GRMJWFNYCKLSPI-OAQYLSRUSA-N 449.511 2.716 0 40 IFAB CCN(Cc1ccccc1)C(=O)COC(=O)Cc1c(C)nc2nc(SC)nn2c1C 19356633 MJTFOMVNSPXWEX-UHFFFAOYSA-N 427.530 2.597 0 40 IFAB COc1ccc(C(=O)NC2CCN(Cc3cc(-c4scnc4C)nn3C)CC2)cn1 19562499 YCLJFYYENVLTOT-UHFFFAOYSA-N 426.546 2.650 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2ccccc2OC)CCO1 19591868 VVSZIDJPZJOWDG-AREMUKBSSA-N 445.519 2.957 0 40 IFAB CC(=O)NCc1ccc([C@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2C(=O)N(C)C)cc1 19698745 VMQADEXZSUWPED-YADHBBJMSA-N 439.531 2.725 0 40 IFAB Nc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)Cn1cnc3ccccc31)CC2 19701086 BFYOLOIQCCLFNF-UHFFFAOYSA-N 440.507 2.528 0 40 IFAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CCN(C)C2 19708872 VAOSCFGNAIOIBG-OAHLLOKOSA-N 433.553 2.522 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(C)cc1 20674565 XJAYZGRVDFWZJU-LEWJYISDSA-N 438.503 2.663 0 40 IFAB CCCCn1c(COC(=O)c2cccc(NC(C)=O)c2)nc2cc(S(N)(=O)=O)ccc21 21197952 ODRIUZOIUPGXOA-UHFFFAOYSA-N 444.513 2.799 0 40 IFAB O=C(OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 21335869 WLNLGSSACBGKGC-NRFANRHFSA-N 441.447 2.986 0 40 IFAB COCCn1nc(C(=O)N[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)ccc1=O 21708816 QOLSLWMEOKLGMF-QFIPXVFZSA-N 437.496 2.621 0 40 IFAB C[C@H]1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@H](C)O1 22971077 VWUDJHINTCWYMF-GJZGRUSLSA-N 429.521 2.974 0 40 IFAB COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)cc1 32096531 UYMKWUWQHLEDQR-CYBMUJFWSA-N 435.402 2.822 0 40 IFAB Cc1nc2ccccc2nc1N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(CO)cc23)CC1 32102799 DWLQQRGFWSLTMX-JOCHJYFZSA-N 431.496 2.860 0 40 IFAB CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@H]1CCS(=O)(=O)C1 32780663 AHGZUYAQVCMWOR-LPHOPBHVSA-N 434.945 2.847 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 32809398 IKGQDVYUSWXRCM-FGZHOGPDSA-N 434.496 2.971 0 40 IFAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2C(=O)O)c1 32926291 ABZLMUKXGGQCNJ-UHFFFAOYSA-N 432.479 2.500 0 40 IFAB O=C(CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccccc12 36593562 PZBXBGYFAOJASA-LJQANCHMSA-N 448.479 2.661 0 40 IFAB biogenic COc1cccc(-c2ccc(=O)n(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2)c1 44917929 PULWGYLLEFXIKE-UHFFFAOYSA-N 435.480 2.521 0 40 IFAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 58002845 FHEOUVKVPQJUIU-ZDUSSCGKSA-N 442.447 2.939 0 40 IFAB CC(C)[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1nc(-c2cccnc2)no1 58268101 NVWKMEPNBNYBJO-SFHVURJKSA-N 441.513 2.799 0 40 IFAB O=C(C[C@H](CN1CCN(Cc2cccc(Cl)c2)CC1)C(=O)O)Nc1cccc(O)c1 71282839 IVTUGQKEHDXXIJ-QGZVFWFLSA-N 431.920 2.893 0 40 IFAB O=C(Nc1cc(Br)ccc1-n1cccn1)[C@H]1CC(=O)N(CC(F)(F)F)C1 78719781 QNTAVIIIKYIAJP-JTQLQIEISA-N 431.212 2.984 0 40 IFAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 78870190 ADXBOFQKLIIMII-MRXNPFEDSA-N 441.513 2.567 0 40 IFAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 89544377 AHLNKDMDVAYJLB-DEOSSOPVSA-N 431.496 2.598 0 40 IFAB COCCN(CC(=O)Nc1cccc(C)c1C)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 96837089 AYTQPZLKIDWZQG-NRFANRHFSA-N 439.512 2.531 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)C2=O)cc1 100211117 KJHSUPLAYGIXNY-INIZCTEOSA-N 433.434 2.566 0 40 IFAB COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 103461555 HJLLEAXAUCBGJM-BMQTXXJKSA-N 433.508 2.682 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1C 138667741 BMOQTEUWDBRASP-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222412073 PLDKJQKYRYOKEX-IBGZPJMESA-N 445.585 2.541 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3ccccc3c2)cc1OC 222821672 TXHCEPBPHYVGFW-UHFFFAOYSA-N 428.510 2.794 0 40 IFAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224756322 CBBIMZSLCORCBQ-LJQANCHMSA-N 436.505 2.709 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)c1 408655995 FANGEZXEJFJLRM-UHFFFAOYSA-N 435.392 2.588 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 409068125 KGQHOUJQUAJFOM-WAUWHALJSA-O 448.474 2.859 0 40 IFAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 409153719 DUDPHCTWGKWZOG-UHFFFAOYSA-N 443.504 2.553 0 40 IFAB COCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(OC)cc1 409216417 KYTUSVFKJVFRRV-UHFFFAOYSA-N 433.555 2.927 0 40 IFAB COc1ccc(NC(=O)CN(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 1418831 HRUMDHLWSAURPY-UHFFFAOYSA-N 430.468 2.502 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 2636264 DLTYCAZKSXPPJT-CYBMUJFWSA-N 445.522 2.902 0 40 IFAB CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCCC1 4161177 FHBOJSIPXOCMGW-UHFFFAOYSA-N 430.528 2.803 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2c(=O)ccn(C)c2=O)sc(C)c1-c1ccc(C)cc1 9461791 YFHVMZSJVLHPJF-UHFFFAOYSA-N 441.509 2.708 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ncc(Cl)cc2[nH]1 9464704 SQYMLFXCZCJSJD-UHFFFAOYSA-N 439.950 2.901 0 40 IFAB Cc1cccc(-c2nc(SCC(=O)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 9517503 ZQEZOPGNATVAMG-UHFFFAOYSA-N 432.505 2.978 0 40 IFAB COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C 9519170 PATHVSPGTGUUHC-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cc(OC)cc(OC)c3)c2=O)cc1 9660615 RGKAYRBDSSHUMK-UHFFFAOYSA-N 433.464 2.681 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)cc1Cl 9675194 ANIWNYBSTHIDRR-IAGOWNOFSA-N 449.801 2.559 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 9698681 LMFATCRPVKZAPJ-LPHOPBHVSA-N 437.496 2.596 0 40 IFAB NC(=O)c1ccc(-c2nnn(CC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)n2)cc1 9723796 BTKJTMYSAHMRIM-HXUWFJFHSA-N 440.463 2.606 0 40 IFAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 10219005 BUYAQASWKDZBHW-UHFFFAOYSA-N 447.444 2.840 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4nc(C)cs4)CC3)CC2=O)cc1 12391779 HNGBNDXDBYCFJD-INIZCTEOSA-N 442.541 2.690 0 40 IFAB COCCNC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12866017 HJTJOWBYWOPWEW-DEOSSOPVSA-N 432.480 2.784 0 40 IFAB biogenic C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 12995585 VZYYNGIULFODIY-OAHLLOKOSA-N 448.516 2.875 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCC(C(=O)OCC)CC1 13810601 ZGHVWKKZDSGLBU-AWEZNQCLSA-N 445.516 2.955 0 40 IFAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14162059 KFHVFWQXMCCTCR-XMMPIXPASA-N 446.463 2.965 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cccc(NS(C)(=O)=O)c3)c2C)no1 15279190 ZGMBJNPAGPQKCJ-UHFFFAOYSA-N 431.470 2.802 0 40 IFAB Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(F)cc3)n2)cc1 15674546 XXIBLCILTMZYRB-MJGOQNOKSA-N 431.489 2.799 0 40 IFAB biogenic,in-vitro CN(C)c1cc([C@@H](Cc2ccccc2)NC(=O)CN2CCCC2=O)nc(-c2cccnc2)n1 19584336 GKSGLHXUTXTFDU-HXUWFJFHSA-N 444.539 2.627 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cnccn3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19739163 IWDSDRLCXLGTAG-QGZVFWFLSA-N 446.486 2.823 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19753888 JJKLAHYAUHBFAL-HXUWFJFHSA-N 427.524 2.956 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)C(C)(C)OC)CC2)cc1 19756286 YVBFPOAZKYGQMG-UHFFFAOYSA-N 428.533 2.887 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(-c3ccccc3OC)c1=O)NCC2 20410659 IRCGXDPBYSDVOL-LJQANCHMSA-N 441.509 2.862 0 40 IFAB biogenic CS(=O)(=O)N1C[C@@H](C(=O)NCCSc2ccccc2)Oc2ccc(Cl)cc21 20460723 ZIKJOIGGXHURRK-KRWDZBQOSA-N 426.947 2.776 0 40 IFAB COC(=O)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 23125075 RAWYSLCXEYGYGK-UHFFFAOYSA-N 443.521 2.968 0 40 IFAB COc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23508161 PBHMUFQRDDIESA-UHFFFAOYSA-N 436.434 2.578 0 40 IFAB Cc1ccccc1Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2-c1ccccc1 28406098 DSLCWPUDCILMSP-UHFFFAOYSA-N 429.528 2.982 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)cc1 32105606 AQNWVYZCLODFNI-UHFFFAOYSA-N 425.441 2.619 0 40 IFAB CS(=O)(=O)N(CCCNC(=O)c1cc(F)ccc1Br)Cc1cccnc1 32926405 UQYHCQICTUQGLE-UHFFFAOYSA-N 444.326 2.565 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1=O 32988750 SCCMXFUBFZCMEC-LJQANCHMSA-N 443.997 2.552 0 40 IFAB COc1cc(OC)cc(C(=O)NCCn2ncc3c(NCCc4ccccc4)ncnc32)c1 35590579 PXQIUGAGEIUWEX-UHFFFAOYSA-N 446.511 2.928 0 40 IFAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nnc(SCc2ccccc2)s1 36242265 DITNQGRWJUCZBS-MDBPOYHNSA-N 440.550 2.966 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 36369983 IEYPXRVVJFDYKV-HXUWFJFHSA-N 437.456 2.788 0 40 IFAB biogenic O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)N[C@@H](Cc1ccccc1)C(=O)O 49547541 JYUMYAWRTZYTJG-QFIPXVFZSA-N 427.460 2.876 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67317026 FODOCJZHUOBRAE-MRXNPFEDSA-N 425.558 2.981 0 40 IFAB O=C1N[C@@]2(C[C@@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccco3)CC2)Nc2ccccc21 72327032 HXLRSHTYWMWOBI-VNAHJIIRSA-N 434.540 2.912 0 40 IFAB Cc1cc2nc(C3CCN(C(=O)[C@H]4CC(=O)N(C5CC5)C4)CC3)cc(C(F)(F)F)n2n1 72340856 QRHHUZQKTBDMPK-AWEZNQCLSA-N 435.450 2.773 0 40 IFAB CCN(CC)CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)CC1 72398866 KVOBOENZTQYVQC-UHFFFAOYSA-N 443.636 2.755 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 96595893 STXPDPYAFAFEPZ-HJQKAEDSSA-N 445.566 2.602 0 40 IFAB COCCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(NC(C)=O)ccc21 100873116 XPFAHBBTQLGGGV-GLEDVZQVSA-N 427.482 2.575 0 40 IFAB COc1ccc([C@@H]2[C@@H](C(=O)O[C@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 108843252 JXUJEYSAOSCDJG-FXCLAUTBSA-N 440.496 2.914 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)COc1ccccc1 223169556 GQBNBPUQQYEYDP-SFHVURJKSA-N 446.569 2.996 0 40 IFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 224436850 TYTHBMAVERFJBF-AWEZNQCLSA-N 436.530 2.890 0 40 IFAB Cc1cc(Nc2cc(CN3CCN(C(=O)Cc4c(F)cccc4F)CC3)nc(C)n2)[nH]n1 257200439 ADIJTIVBOUUHMN-UHFFFAOYSA-N 441.486 2.725 0 40 IFAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(C(=O)[C@@H](N)CCC(=O)O)C[C@@H]3C[C@H]21 257238540 HLMJVTKQXRZTBO-WQFOIGCBSA-N 436.936 2.998 0 40 IFAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@@H](Cc3ccc4nccn4n3)C2)c1 257255079 KGACDFFDZQKAPH-NRFANRHFSA-N 435.572 2.895 0 40 IFAB CCOCc1ccc(C(=O)N2CC[C@@H](c3ccnc4c(Cn5cncn5)c(C)nn34)C2)cc1 257260506 LDEGHZFRWXETMS-HXUWFJFHSA-N 445.527 2.844 0 40 IFAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1)c1cscn1 257280820 OMNXSUQBKNVVAQ-FUDKSRODSA-N 429.586 2.571 0 40 IFAB COCCC(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257288086 PSTAKUDDTMLJPR-HXUWFJFHSA-N 427.549 2.601 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 260910157 XAFILMFNSWWJPT-MSOLQXFVSA-N 432.542 2.680 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c1 408561178 RDWDQOWUBPIEQJ-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB CSc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408613116 ZWVDKAFPYLWZRK-HNNXBMFYSA-N 436.555 2.835 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 408660561 ASDPZXONGXVMHG-UHFFFAOYSA-N 425.441 2.748 0 40 IFAB COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(/C)C(=O)O)OC2=O)[C@]3(OC(C)=O)CC1 504041277 VDGOFNMYZYBUDT-SKURKKKVSA-N 432.469 2.871 0 40 IFAB biogenic,in-vitro CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCCOc3ccccc3Cl)CC2)n1 506606052 MSJYAPCQWOVELY-HNNXBMFYSA-N 437.928 2.727 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 583652473 BGPFQDZGMFYZOP-MAUKXSAKSA-N 440.496 2.878 0 40 IFAB Cc1ccnc(N2CCN(c3nccnc3N3CCN(c4cc(C)ccn4)CC3)CC2)c1 680956510 FGAHJVMGGXQLHM-UHFFFAOYSA-N 430.560 2.537 0 40 IFAB Cc1cn2nc(OCC3CCN(C(=O)c4ccc(-n5nc(C)cc5C)nn4)CC3)ccc2n1 1888926505 XVSXONIVLLLCHT-UHFFFAOYSA-N 446.515 2.561 0 40 IFAB Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2cccc(Cl)c2)n(C)c1=O 1438919 SOSHOEGGBAJXBZ-UHFFFAOYSA-N 440.843 2.656 0 40 IFAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)c5ccc(C)cc5)CO[C@H]34)n2)cc1 5433752 YZRRIUSJVIBTLS-MYDTUXCISA-N 446.507 2.837 0 40 IFAB biogenic,in-vitro O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9112889 YEEGLBSJSOXUPW-IFMALSPDSA-N 429.538 2.927 0 40 IFAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302551 AZOHGLFQTRIIQI-UHFFFAOYSA-N 447.521 2.595 0 40 IFAB O=C(NCCCn1cnc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 9376882 KOQBTROCEHGJKA-UHFFFAOYSA-N 438.509 2.928 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9478071 ZPQOQQRSBSZWED-GOSISDBHSA-N 427.526 2.598 0 40 IFAB Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc(F)c3)[nH]c2=O)cc1 9518130 NMMDVKKNFYXWOX-UHFFFAOYSA-N 427.461 2.783 0 40 IFAB COc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1S(=O)(=O)NC1CC1 9549214 JLDDOBYKNBIAHI-UHFFFAOYSA-N 427.526 2.911 0 40 IFAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 9631835 ASCNCDOACHEDCR-UHFFFAOYSA-N 439.512 2.765 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1Cl 10111282 HMSUDUGJIRUCJY-MRXNPFEDSA-N 446.013 2.885 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10217824 RDCRFRAVTVFIAV-XLIONFOSSA-N 449.548 2.773 0 40 IFAB C[C@@H](Sc1nncn1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 10800100 OJCVOGQGCZDWKX-GFCCVEGCSA-N 443.982 2.762 0 40 IFAB O=C(Cc1ccc(Br)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11154559 SWWNHPCQKYUFNS-UHFFFAOYSA-N 437.359 2.961 0 40 IFAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1S(=O)(=O)N1CCOCC1 11226620 OEMFNKSNFWUNBQ-UHFFFAOYSA-N 442.459 2.585 0 40 IFAB COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 12342360 ZMQDFPRGLFCTKT-JOCHJYFZSA-N 433.508 2.820 0 40 IFAB CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1 12746141 ZLMOVGIPZNKOKB-SFHVURJKSA-N 439.578 2.707 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 13063911 WTADAIOXZGONIQ-IRXDYDNUSA-N 433.574 2.837 0 40 IFAB COc1cccc(/C=C/C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 13097145 RAPDEOMOPHGJEP-OUKQBFOZSA-N 448.523 2.878 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)sc(C)c1C 13097462 XZBLJWJQAXVKNZ-HNNXBMFYSA-N 444.509 2.995 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ncnc3sccc23)C1=O 14170713 VNGZQOAXNZBBSV-IBGZPJMESA-N 427.511 2.672 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 14180320 MUTIDWMQJIFLPR-UHFFFAOYSA-N 443.447 2.761 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C12CC3CC(CC(C3)C1)C2 15314433 OYXOEWHWYKRPBZ-OQOKOFKUSA-N 445.629 2.957 0 40 IFAB COc1ccc(NC(=S)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 16271066 WBSQMSGUGRLBGU-UHFFFAOYSA-N 425.507 2.664 0 40 IFAB O=C(CCn1cccn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 19337793 UAGBCYXXIZLQHS-DNVJHFABSA-N 447.514 2.964 0 40 IFAB COc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1CO 19559290 CELDEOAIKNBZGA-UWWQBHOKSA-N 425.455 2.979 0 40 IFAB COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCN(C)CC2)cc1 20065958 IQHBQJZHILCMQY-JWGURIENSA-N 432.524 2.732 0 40 IFAB COc1ccccc1N(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1 20239077 RPUXUGHRLDVLDM-UHFFFAOYSA-N 439.493 2.628 0 40 IFAB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20517964 MMUQSQNTUYTBPE-PZTGFMGMSA-N 433.961 2.756 0 40 IFAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N(C)Cc1ccccc1N1CCOCC1 21962910 VQIXADFEGLLWMJ-UHFFFAOYSA-N 445.585 2.791 0 40 IFAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CC3)c2)cc1 22971942 VTCJVYBPHWZNMF-UHFFFAOYSA-N 442.946 2.684 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)c(OC)c1OC 24134604 DSJNAJIPLRFIIA-UHFFFAOYSA-N 436.512 2.856 0 40 IFAB C[C@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 35269337 IRIUYGKIDWGNPF-LJQANCHMSA-N 429.586 2.937 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)=C2)c1 35339820 JPAGQUIAIQVZQO-QKYXUNIQSA-N 431.558 2.986 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)ccc4ncccc34)CC2)cc1 36391044 MSNMFLBKWSUWFP-UHFFFAOYSA-N 445.566 2.547 0 40 IFAB Cc1ccc(C2=NN(C(=O)COC(=O)CNC(=O)c3ccco3)[C@@H](c3ccco3)C2)cc1 40159025 AHXFTSGHYCFRGX-GOSISDBHSA-N 435.436 2.832 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)cnc32)cc1 40478030 CQBCAPDWOXDVQZ-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4C)nn3)CC2)cc1OC 49405894 FORAJEAAVVWKFR-UHFFFAOYSA-N 449.511 2.628 0 40 IFAB CN(Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCCCC1 59888568 PTFIVVAPEULCPI-UHFFFAOYSA-N 442.585 2.565 0 40 IFAB Cc1cnc(C(=O)N2CCO[C@](Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)C2)cn1 72389047 SOZSLXTZYAHIGZ-SANMLTNESA-N 444.535 2.994 0 40 IFAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 78664225 HUURAYOCQSLEQO-HUUCEWRRSA-N 448.488 2.770 0 40 IFAB CCC(CC)[C@H](CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCOCC1 79051543 ISYUKOAQSKVSSN-SFHVURJKSA-N 432.533 2.691 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)NCC3(O)CCC4(CC3)OCCO4)cc2F)C[C@H](C)O1 89936826 RWYSAJYCZPSACQ-HOTGVXAUSA-N 437.512 2.609 0 40 IFAB O=S(=O)(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1cccc2cccnc12 95433130 MCIMAEJUAXZTTF-NRFANRHFSA-N 425.554 2.959 0 40 IFAB Cc1nc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)cc1Cl 102127537 BSKVGHKFXRORGT-TXEJJXNPSA-N 442.299 2.744 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)cc3c2N1CC3 206659398 ODBOBIMOEVRKPA-KRWDZBQOSA-N 440.443 2.553 0 40 IFAB Cn1cc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCC(C(F)(F)F)CC2)cn1 217976939 PNCKKNFMMPMLFQ-UHFFFAOYSA-N 440.451 2.943 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 222610259 NGWNGSKKJHZIGN-GOSISDBHSA-N 429.542 2.617 0 40 IFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)s1 223102381 KNZCAGREPRUQIE-UHFFFAOYSA-N 430.924 2.859 0 40 IFAB CCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225166828 HJNALPIMSLAUSF-UHFFFAOYSA-N 432.527 2.710 0 40 IFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 225883035 HZRBFLVTUYOJNT-JTQLQIEISA-N 428.536 2.579 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(c3ccc(OC)cc3OC)[C@@H]42)cc1 248177585 BIFZSCVBWDVLQM-BRFRPSKESA-N 448.475 2.887 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC1)O2 248337811 QHKMHFQSFOUDOV-QSWVLOPZSA-N 441.572 2.952 0 40 IFAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CCc3nc4ccc(Cl)cc4[nH]3)C2)ncn1 257204891 AWSRHOKQKYQSKN-QFIPXVFZSA-N 442.951 2.737 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)Cn2c(C)nc3ccccc32)(c2ccccc2)CC[C@@H]1O 257229562 FYONGJBSNDWWOE-GVUKDKGQSA-N 448.567 2.839 0 40 IFAB C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1)C(=O)N1CCOCC1 408607870 QSKBVBBKQXEGBL-ZDUSSCGKSA-N 442.896 2.906 0 40 IFAB CCS(=O)(=O)N(Cc1ccc(C(=O)OC)cc1)c1c(C)n(C)n(-c2ccccc2)c1=O 408679880 MGWWJAMTZKEEAU-UHFFFAOYSA-N 443.525 2.627 0 40 IFAB O=C(CN1C(=O)N/C(=C/c2ccc(O)c(Br)c2)C1=O)Nc1ccccc1F 409207939 CXXIKIJERAGUSA-RIYZIHGNSA-N 434.221 2.825 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1nnc2ccccn12 532111019 BHCRRXIXGHBIHM-INIZCTEOSA-N 445.570 2.732 0 40 IFAB CCN(CC)[C@@H]1CCN(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)C1 1624860877 ANTSIPQJPYGMFH-MRXNPFEDSA-N 439.402 2.544 0 40 IFAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1 1888866742 CPURDQYUQSQSDT-HOTGVXAUSA-N 443.573 2.604 0 40 IFAB COC1(CC(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)CCC1 2055793390 WZFSNHBFHNPHIY-ATIYNZHBSA-N 449.551 2.764 0 40 IFAB COc1ccc(-n2nc3ccc(NC(=O)Cn4nnc(-c5ccc(C)o5)n4)cc3n2)cc1 797031 YTKHPXZUYBZOAS-UHFFFAOYSA-N 430.428 2.623 0 40 IFAB CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)nnc12 1325947 UMOKDCNNSLXKRR-HZPDHXFCSA-N 442.589 2.805 0 40 IFAB CCOc1c(NC(=O)c2ccc(N)cc2)cc(NC(=O)c2ccc(N)cc2)cc1C(N)=O 2027233 NUOWJYSOKNPGHX-UHFFFAOYSA-N 433.468 2.853 0 40 IFAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 3207398 VSBMODKVGUQIKU-UHFFFAOYSA-N 432.527 2.739 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc(NC[C@H](C)O)c(=O)cc1[C@@H](NC(C)=O)CC2 8789334 FCRZZSUGYDONBZ-UGSOOPFHSA-N 442.512 2.656 0 40 IFAB biogenic CC(C)Oc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 9128927 IYYZDYOLYXWFCR-AWEZNQCLSA-N 428.441 2.503 0 40 IFAB COc1cccc(-n2cnnc2SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 9336663 ZZJXMPKWSBVZFW-UHFFFAOYSA-N 440.525 2.970 0 40 IFAB Cc1csc2ncc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c(=O)n12 9381287 HXPDYDZSUJTNKW-UHFFFAOYSA-N 447.523 2.574 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 9525953 IEUYCBWIGPVDOK-CQSZACIVSA-N 430.844 2.661 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1 9545114 VLFVUWCKHDMGRP-UHFFFAOYSA-N 427.482 2.863 0 40 IFAB CC(C)CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 9691117 YKUCIOYZHCNIOP-SFHVURJKSA-N 448.614 2.909 0 40 IFAB CCn1c2ccccc2c2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)OC)nc21 9805875 IEZQCGYQPINWLW-KRWDZBQOSA-N 449.536 2.992 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c(C)c1 9807454 YSRSMWNRJUQSPE-IBGZPJMESA-N 443.569 2.828 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)NCc2ccccc2Cl)CCCC3)n1 9828828 DLMHCJLHXNKWGI-UHFFFAOYSA-N 425.920 2.894 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)c(C)cc3C)n2)cc1 9844507 BZFMNFHYXAGSNA-UHFFFAOYSA-N 427.526 2.823 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)cc1 10255284 RPFGXTAAWKNOET-KRWDZBQOSA-N 427.526 2.844 0 40 IFAB CN(Cc1ccc(OCC(=O)NCCSCc2ccccc2F)cc1)S(C)(=O)=O 10282518 QSLMUZMYKMRDPX-UHFFFAOYSA-N 440.562 2.646 0 40 IFAB CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C)n1 12232124 XVXPCXVNFGIDHG-UHFFFAOYSA-N 444.898 2.585 0 40 IFAB CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1 12645486 AOOMEGPGORJQQS-UHFFFAOYSA-N 439.540 2.932 0 40 IFAB O=C(/C=C/c1cnc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12889715 QVWLVEBAWPQZDK-PKNBQFBNSA-N 448.548 2.665 0 40 IFAB COc1ccccc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2)CC1 13150895 DIXMDGZTLPNOCY-NZQKXSOJSA-N 434.544 2.772 0 40 IFAB CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2C)CC1 16300145 LEURONVWADHWQF-UHFFFAOYSA-N 442.585 2.711 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3c(C)cc(C)[nH]c3=O)CC2)c(C)c1 17813548 MBEWLYZVDZKRDP-UHFFFAOYSA-N 445.585 2.634 0 40 IFAB Cc1ccc(-n2ncc3c2N(CC(=O)NCc2ccc(F)cc2)C(=O)N2CCN=C32)cc1 19213433 JEJZIPDLRUIISS-UHFFFAOYSA-N 432.459 2.638 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCC3)CC1)O2 19218972 MYICHAMZCPIBNO-MZNJEOGPSA-N 427.545 2.706 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1 19342748 PAQMDWHTFGOALA-INIZCTEOSA-N 440.569 2.926 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)cc1 19694541 GCFFYGYSGMQHLS-FQEVSTJZSA-N 448.527 2.679 0 40 IFAB CCn1nc(C)c(CN2CC[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c1C 19702618 HVKQIDOBFPVMSQ-MRXNPFEDSA-N 427.574 2.841 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)c1 19744004 BRFJZPCPINSBOH-OAQYLSRUSA-N 444.601 2.692 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1OC 20019324 RJQUZQJJVXBHFC-UHFFFAOYSA-N 448.541 2.620 0 40 IFAB COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1O 22357401 HTSNAWWCEMKTBM-IGKXFLDPSA-N 426.469 2.821 0 40 IFAB COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 23701301 UDMICNYHFWZHQZ-LFVRLGFBSA-N 446.500 2.567 0 40 IFAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23763109 YPNAGFCXOBZYRG-YVWYTEFXSA-N 440.565 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(=O)Nc1ccccc1 25260318 RRDNATKLFOSZMK-UHFFFAOYSA-N 446.529 2.630 0 40 IFAB CS(=O)(=O)N1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 29825524 HJKRWECIDPDOSS-NRFANRHFSA-N 426.542 2.534 0 40 IFAB O=C(Nc1ccc(C(=O)Nc2nc3ccccc3s2)cc1)N[C@@H]1CCS(=O)(=O)C1 31813818 JEJRCPHUDJCTQW-CQSZACIVSA-N 430.511 2.857 0 40 IFAB CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1 40149430 SXGSNZHVAQDUSS-UHFFFAOYSA-N 446.573 2.599 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cc(=O)c2ccccc2o1 44193455 ZAKGARMTCPFQDU-UHFFFAOYSA-N 445.410 2.846 0 40 IFAB COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c(OC)c1 49405958 LBOFBJSCNGLHPQ-UHFFFAOYSA-N 449.511 2.628 0 40 IFAB Cc1ccc(N2CN(CC(=O)NCCc3ccccc3)S(=O)(=O)c3cccnc32)cc1 49411399 HPJAEGQSPHWIOH-UHFFFAOYSA-N 436.537 2.849 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)c1 71327421 NNQQMFZQBWLOBU-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB CC1=NN(c2nc(N)nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)C(C)(C)C1 73351352 HVBITWNOVZCXAS-UHFFFAOYSA-N 441.970 2.870 0 40 IFAB O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1c(O)cnc2ccccc12 79100771 GSYLFGOALKDYGN-UHFFFAOYSA-N 433.464 2.975 0 40 IFAB Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 84083709 GNTGEOFEWKOEMP-ROUUACIJSA-N 444.329 2.762 0 40 IFAB COc1cc(OC)c(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)c(OC)c1 85875544 TYQXKDZIMCMCNP-UHFFFAOYSA-N 430.409 2.827 0 40 IFAB biogenic CCOc1cc(CNc2cccnc2N2CCC(O)CC2)ccc1O[C@@H](C)C(=O)N(C)C 95443033 SKKHLWGBKCKGNJ-KRWDZBQOSA-N 442.560 2.909 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 96145152 SREUSGDGHKWCGX-UHFFFAOYSA-N 446.573 2.680 0 40 IFAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CCN4C(=O)CCC4=O)CC3)n2n1 100159447 ZAOSWJNMSCCBFA-CALCHBBNSA-N 439.560 2.956 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 101166183 YHWMJHFWDAQQJZ-MSOLQXFVSA-N 427.848 2.671 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)cc2)nc(C)n1 102332181 CRDFRHIEYSAUMV-LSOMNZGLSA-N 444.513 2.580 0 40 IFAB COC(=O)/C(C)=C/C=C/[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@@H](CC(OC)OC)[C@@H](C)[C@@H](O)[C@H]1C 104168832 IUPRBAQOWNNLEG-GDFHULFFSA-N 428.566 2.705 0 40 IFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CC[C@H](OC(C)=O)C[C@@]3(O)CC[C@@]21O[C@@H]4OC 119168928 NAWSESIXRIDTIN-QESZAVQHSA-N 436.545 2.970 0 40 IFAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223122177 RWGFNVWPWHOFMM-HSZRJFAPSA-N 443.975 2.748 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CSc2ccc(Cl)cc2)cc1 224197652 MFUMHHJWPUBHGV-UHFFFAOYSA-N 428.963 2.878 0 40 IFAB COc1cccc(OCCNC(=O)CCCN(c2ccc(F)cc2F)S(C)(=O)=O)c1 224812397 NUVNTJZCBPJEPS-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN(C(=O)c4cccc(F)c4)C3)nc21 257210509 BUYKEYORQNQERZ-HSZRJFAPSA-N 426.492 2.654 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)C1 257273537 NHAKSAGCXLIEBX-NRFANRHFSA-N 432.536 2.892 0 40 IFAB CCNC(=O)N1CC[C@@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)C1 257283679 OZIRMDABPSTHRT-GFCCVEGCSA-N 428.880 2.859 0 40 IFAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(CC(=O)Nc4ccccc4F)CCO3)n2)cn1 257304937 SNTKCIBIRCDVOK-JOCHJYFZSA-N 449.486 2.654 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)c(C)c2)cc1 408594391 QFUDQBXEVGCCCO-UHFFFAOYSA-N 442.541 2.886 0 40 IFAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 408612104 YJZMRSSMFHXHQV-OAHLLOKOSA-N 434.514 2.798 0 40 IFAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 408710120 PCIWXWUEPQSGIO-HXUWFJFHSA-N 436.556 2.718 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C)c1ccccc1 409341389 AILSBULVFXYAJL-CQSZACIVSA-N 427.505 2.854 0 40 IFAB COC(=O)[C@H](NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)c1cccc(C(F)(F)F)c1 1583819574 NTCDYBDCOBECCH-KZNAEPCWSA-N 438.450 2.505 0 40 IFAB CCOC(=O)C1=NN(C(=O)COc2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1 796948 MFLKANXBEQNPMI-FQEVSTJZSA-N 447.285 2.825 0 40 IFAB COc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(C(C)(C)C)cc4)sc3nc2=O)cc1 2252675 YEOYTTZUEFYPFR-XSFVSMFZSA-N 433.533 2.956 0 40 IFAB CCn1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(=O)c2ccc(C)nc21 3307483 YQTUPPRXOZUWRR-UHFFFAOYSA-N 448.479 2.646 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc(C(=O)OCCOC)c1C 7486480 GOHAIGRQRCKSGY-ZDUSSCGKSA-N 426.535 2.849 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 8150636 KFRINIORTPRRTI-FQEVSTJZSA-N 425.554 2.523 0 40 IFAB COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CCC(=O)O)nc(C)n1 8622923 IJYVVEGXDPNJLK-SCTDSRPQSA-N 438.528 2.619 0 40 IFAB biogenic,in-vitro CCOC(=O)C1=C(COC(=O)CSc2cc(C)c3ccccc3n2)NC(=O)N[C@H]1C 9130810 FLFRHAYYGUZHQB-ZDUSSCGKSA-N 429.498 2.697 0 40 IFAB O=C(CSc1nnnn1Cc1cccs1)NC1CCN(Cc2ccccc2)CC1 9155140 PKHLEOXSGHUSJK-UHFFFAOYSA-N 428.587 2.656 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)c1 9608573 KAUKKPZERGIQCJ-UHFFFAOYSA-N 432.278 2.941 0 40 IFAB Cc1nnc(NC(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)s1 9663725 YOUHWYCAKXXHPY-OAHLLOKOSA-N 436.497 2.730 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C)cc3C)CC2)cc1 9676288 DZAFKTYCSOJAOY-UHFFFAOYSA-N 432.542 2.660 0 40 IFAB Cc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c(F)c1 9779769 NJQVLHXOFMGKGV-UHFFFAOYSA-N 447.488 2.855 0 40 IFAB O=C(Cc1csc(-c2ccccn2)n1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11165019 MDQPZMPFTNBLKI-UHFFFAOYSA-N 442.566 2.717 0 40 IFAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(N2CCCCC2)n1C1CC1 11372248 BIUFRWRFJHLILG-UHFFFAOYSA-N 433.559 2.540 0 40 IFAB CC(C)Oc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 11858219 XDYWYYSCYVEGII-AWEZNQCLSA-N 438.527 2.587 0 40 IFAB Cc1nnc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)s1 12233440 NIKVZNSNCCKFJO-GFCCVEGCSA-N 443.489 2.557 0 40 IFAB C[C@H]1CCc2c(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)csc2C1 12617279 CNACHESXJJJCGE-AWEZNQCLSA-N 428.583 2.900 0 40 IFAB O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12977146 KHZVWTQIMOZBCG-UHFFFAOYSA-N 436.917 2.648 0 40 IFAB CC(C)NC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 13510647 BCWYGAPPXRSJTL-UHFFFAOYSA-N 443.305 2.880 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1-c1cccc(O)c1 13723099 LERKESWJRGWNQL-UHFFFAOYSA-N 433.443 2.648 0 40 IFAB Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 14125124 BXILJSIAUMYQFB-UHFFFAOYSA-N 431.558 2.636 0 40 IFAB CN1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4cc5ccccc5c(=O)[nH]4)C3)n2)CC1 19588204 RGNWZYNSNIYISQ-SFHVURJKSA-N 447.539 2.853 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O 19699720 DMBKBJRDKUXKFV-FQEVSTJZSA-N 432.609 2.990 0 40 IFAB C[C@@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O 20108474 QFKVHULMWONRBS-HNNXBMFYSA-N 432.933 2.997 0 40 IFAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 20458820 JDYHRFSVWZISOG-HNNXBMFYSA-N 434.514 2.576 0 40 IFAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F 20797659 KEAROLUMBLUSBC-UHFFFAOYSA-N 432.874 2.537 0 40 IFAB Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c(C)c1 22851176 QTKISAWFEHVDFT-IBGZPJMESA-N 432.542 2.692 0 40 IFAB C1CCc2nnc([C@@H]3CCCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)C3)n2CC1 24055857 HXQAJBWBHQUMLV-GOSISDBHSA-N 437.596 2.774 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 24611870 YZCQFWVMSDLHNG-UHFFFAOYSA-N 430.526 2.582 0 40 IFAB Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)n1C 25318938 FTZGBWUWSTZBIH-UHFFFAOYSA-N 440.363 2.811 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 27964429 BMYFCEUFBLUOQH-NSHDSACASA-N 431.919 2.570 0 40 IFAB O=C(NCCc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 29652497 XYJYWGQKMUTEON-UHFFFAOYSA-N 438.347 2.601 0 40 IFAB CN(CC(=O)NCc1ccc(Cn2ccnc2)cc1)S(=O)(=O)c1ccc(Cl)s1 30219537 DUIRBNISVOXTTJ-UHFFFAOYSA-N 438.962 2.583 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)nn1-c1ccccc1 31137809 SIDUJMFISVEJGX-INIZCTEOSA-N 443.467 2.584 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nccs1)[C@H]1CC(=O)N(c2ccccc2)C1 32101358 IRXJZLUOMANHDG-PKOBYXMFSA-N 434.521 2.862 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)OCc3cccc(F)c3)CC2=O)cc1 32867734 GMVWLNBWOKQYLG-QGZVFWFLSA-N 448.516 2.953 0 40 IFAB CCCc1nnc(S)n1CC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 36391476 SZTLEPCEBVEOCO-UHFFFAOYSA-N 428.484 2.718 0 40 IFAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40157725 OJHOXQXAWKKJGR-QKVFXAPYSA-N 427.482 2.647 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)CC1 49411180 NRCCPIBYIRRHNM-UHFFFAOYSA-N 447.543 2.624 0 40 IFAB COc1ccccc1OCCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 72325096 MCLJHDUAYXTCCD-UHFFFAOYSA-N 437.496 2.706 0 40 IFAB biogenic O=C(NCc1ccccc1)NC[C@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O 77263175 PKKCUFFYIYWBBI-QNWVGRARSA-N 437.496 2.998 0 40 IFAB biogenic,in-vitro COC(=O)C[C@H](c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F)c1cnn2cccnc12 96224089 MTNINGRYDIIAQC-NSHDSACASA-N 431.374 2.861 0 40 IFAB COc1ccc(N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4Cl)CC3)C2)nn1 96231319 HETYNULRGYRKJF-GOSISDBHSA-N 429.952 2.699 0 40 IFAB COc1ccc(C(=O)NC(=N)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCC1 96999105 DHXXPXQTAJPGJG-UHFFFAOYSA-N 427.935 2.950 0 40 IFAB O=C(CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 102785302 QSSKEPATFKKOCP-HOTGVXAUSA-N 428.876 2.738 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@H](C(=O)NCc3ccco3)[C@H]3C=C[C@H]2O3)c1 195751250 YNYNFYUQBFGBCL-XRXFAXGQSA-N 426.469 2.902 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222980606 QSOJEMDASDMROI-HXUWFJFHSA-N 445.585 2.623 0 40 IFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-n1cnnc1 223452561 UPWACDSGNYCXBX-LEWJYISDSA-N 430.541 2.971 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1N1C(=O)CCC1=O 224333572 JRHXJPHVHSLZOD-INIZCTEOSA-N 446.525 2.711 0 40 IFAB COC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 224345970 ZYMXIPVPZOSKHA-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c(OC)c1 224904666 XGJWIMILJSOQRQ-UHFFFAOYSA-N 433.530 2.709 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2)no1 225831986 SZPKZUXACVMVSB-SFHVURJKSA-N 444.513 2.606 0 40 IFAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238874618 NSVZDVONGLADOT-GOSISDBHSA-N 432.318 2.974 0 40 IFAB CC(=O)NCCCCCC(=O)N1CCC([C@@]2(C)CN(c3ccccc3)C(=O)CO2)CC1 257262122 LKDBNTJRMPTRFI-XMMPIXPASA-N 429.561 2.744 0 40 IFAB O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)CCN1CCCC1=O)CC2 257313382 USEAIJOQSJXQNQ-DAFODLJHSA-N 439.556 2.767 0 40 IFAB O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@H]21 306125255 CKQLWWCUWNDPJQ-KZNAEPCWSA-N 439.002 2.748 0 40 IFAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)OC)C1=O 408534730 UIYBASMXMWXYRC-DGGAMASNSA-N 437.470 2.625 0 40 IFAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC 408585332 DTMRTXYEYBKYKU-UHFFFAOYSA-N 433.530 2.770 0 40 IFAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 408613112 ZIALOOHDBMRIOS-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)s1 408684666 KEPNZTJYHCRKQS-UHFFFAOYSA-N 441.307 2.818 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)c1 932132 CMESVDXIQWUKOD-UHFFFAOYSA-N 443.485 2.587 0 40 IFAB CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1cc(OC)c(OC)cc1OC 1480285 MIBPKHXZZADDNP-INIZCTEOSA-N 447.513 2.912 0 40 IFAB Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c(=O)n(-c2ccccc2)n1C 3252383 FNXYDLYJXIJGGD-UHFFFAOYSA-N 435.889 2.661 0 40 IFAB CCS(=O)(=O)Nc1cc2c(C(=O)OC(C)C)c(C)n(S(=O)(=O)CC)c2cc1C 6142916 YJOQQLFZQSCZFK-UHFFFAOYSA-N 430.548 2.783 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccccc1)OCO3 6446681 YLONWUZPLLSZIW-QGZVFWFLSA-N 442.493 2.627 0 40 IFAB CCCCn1c(COC(=O)Cc2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 8720156 KZLPAJVWOQCWBL-UHFFFAOYSA-N 431.514 2.778 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(-c3ccccc3)n1CC)n2C 8724733 KOWBSZDWDMSXEZ-UHFFFAOYSA-N 439.545 2.794 0 40 IFAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OC 8815750 DQDHQTWVXNLCBE-CXUHLZMHSA-N 425.441 2.552 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1Cl 9001339 HGCZLODUCTWYCE-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2ccccc2n1 9244537 UWARTWLUYWWPAZ-NRFANRHFSA-N 441.509 2.948 0 40 IFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnnn1Cc1cccs1 9376133 GBUASBYVGJNIKL-CQSZACIVSA-N 431.543 2.564 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1 9376831 JHHFIFXGARIWHU-UHFFFAOYSA-N 436.530 2.924 0 40 IFAB O=C(CSc1nnc(NC(=O)c2ccc(Br)o2)s1)NC[C@@H]1CCCO1 9599964 FRIHHCXVZMWIDZ-QMMMGPOBSA-N 447.336 2.533 0 40 IFAB Nc1nc(COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)nc2ccccc12 9658867 FRFFBADIACDLAE-UHFFFAOYSA-N 438.465 2.641 0 40 IFAB COc1cn(CC(=O)N2CCc3ccccc32)c(CSc2nnc(C)s2)cc1=O 10254742 RMJBIOFIJIXUBG-UHFFFAOYSA-N 428.539 2.898 0 40 IFAB COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nccc(C)n2)cc1=O 10254978 HNGMBPCXHJMLKZ-UHFFFAOYSA-N 440.481 2.615 0 40 IFAB O=C(CNc1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 11120857 CBGWALJOYSXMOQ-UHFFFAOYSA-N 433.961 2.774 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(I)cc1 12750016 LDKBLGTZUTUXRU-IBGZPJMESA-N 446.244 2.867 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12882352 VAZFWUVKEJFXHJ-MRXNPFEDSA-N 431.533 2.648 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1 14402237 ACRCYWJAAWBEBK-IBGZPJMESA-N 428.489 2.519 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccc(Br)cc1 15288424 FLFKJYREPCGQNK-UHFFFAOYSA-N 442.335 2.759 0 40 IFAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)O[C@H]1CCS(=O)(=O)C1 16680154 JHXRNZSBWWQLIB-AWEZNQCLSA-N 435.552 2.818 0 40 IFAB O=C(c1ccco1)N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1 19369672 FEISWSCUSGUOQO-FQEVSTJZSA-N 434.525 2.923 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cn3nc(C)ccc3=O)cc2N1 19520722 GEBPVUPYVQUPNW-FVQBIDKESA-N 438.454 2.810 0 40 IFAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)CCc3ccccc3F)n2)CC1=O 19700842 NRZJHNOLWFKSCO-GOSISDBHSA-N 441.551 2.997 0 40 IFAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1 20637673 GVHWNZOHXYTMPF-WOJBJXKFSA-N 439.468 2.512 0 40 IFAB COCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3Cl)no2)c1=O 23126694 NZMQCBZRRNGEOV-UHFFFAOYSA-N 426.860 2.951 0 40 IFAB C[C@@H](NC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1-c1cccs1)c1ccccc1 23142264 SNUNBRIKDIFWNF-QGZVFWFLSA-N 437.569 2.877 0 40 IFAB Cc1cc(C)cc(-n2ncc3c(=O)n(CCC(=O)NC(=O)NCc4ccccc4)cnc32)c1 24759200 HVAIZUHVZABJQC-UHFFFAOYSA-N 444.495 2.615 0 40 IFAB O=C(CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)Nc1ccc(F)c(F)c1F 24812259 QQILXDKBYRTWRN-NSHDSACASA-N 425.432 2.773 0 40 IFAB Cn1ncc2c(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C(F)(F)F)ncnc21 25000667 OOSLGBIVAOBLMH-ZDUSSCGKSA-N 436.419 2.762 0 40 IFAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccnc(N2CCOCC2)c1 25758727 IOPLLELIPKJVOK-UHFFFAOYSA-N 433.484 2.899 0 40 IFAB C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O 32744870 IKTLKXFECZXJOP-GFCCVEGCSA-N 433.386 2.787 0 40 IFAB COc1ccc([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c(OC)c1 32856023 BCLYVHXLZLDPAR-QGZVFWFLSA-N 439.555 2.852 0 40 IFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 32905055 NBDQJOZZQFVZQB-OAQYLSRUSA-N 448.523 2.960 0 40 IFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@@H](COc1ccccc1F)c1ccccc1 32936926 SMYBTPFTDQNIPY-KRWDZBQOSA-N 433.461 2.824 0 40 IFAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 33386741 IQAOFATUJVYUSG-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 35314536 ZXAQOASQIZWOFH-NRFANRHFSA-N 444.482 2.825 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40052206 FOIMAVGVVQREIB-RBUKOAKNSA-N 427.501 2.734 0 40 IFAB COC(=O)CCCCCCNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 45792893 LHMVOXVRBYLRAF-GOSISDBHSA-N 444.619 2.635 0 40 IFAB C[C@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)O1 48309600 ZPSQBQIRCKGMAU-GUTXKFCHSA-N 435.359 2.851 0 40 IFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 58403070 XZJCJEVZFAEKST-ZWKOTPCHSA-N 429.473 2.564 0 40 IFAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3nccnc32)c1 64874411 WEKDYCHIKMRHGE-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB CC[C@@H](C)NC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 67338446 SXNTUTQLUKXPAC-QGZVFWFLSA-N 447.605 2.559 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72305465 NCAAZENFRVDNRA-QGZVFWFLSA-N 439.578 2.799 0 40 IFAB Cc1cc(C)n(CCCC(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)n1 72337202 LPWUVOMNICOPJP-UHFFFAOYSA-N 440.592 2.930 0 40 IFAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)COc2ccccn2)C1 72344823 ZUCDHOUOHXLPTH-LJQANCHMSA-N 433.512 2.862 0 40 IFAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCCn2ccc3ccc(F)cc32)n1 72402381 IQAACSBFIGMZEL-UHFFFAOYSA-N 438.434 2.968 0 40 IFAB COCCN(CCOC)C(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037695 BZNCMWJVAOVYGV-UHFFFAOYSA-N 427.549 2.690 0 40 IFAB CN(C)[C@@H]1CCN(C(=O)c2ncn3c(C4CCN(Cc5ccccc5)CC4)ccnc23)C1 96155699 MXINIOJZZDKPLW-OAQYLSRUSA-N 432.572 2.885 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)cc1 101452521 CWZXEKCVSLOCHL-AQNXPRMDSA-N 449.617 2.597 0 40 IFAB Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCN(CCOc3ccccc3)CC2)C1=O 102701075 YRWKNAPPVFWRDY-NRFANRHFSA-N 427.932 2.977 0 40 IFAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)cc1 214288032 AMDPXFKKFSUORB-GZTJUZNOSA-N 442.449 2.540 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1OC 220234851 AMOBQZRWRMXTFJ-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1nnc(SC)s1 223402139 QVQDWYVSBSBSEC-UHFFFAOYSA-N 442.588 2.942 0 40 IFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)s1 224585083 HCENLFBTHRLBPX-UHFFFAOYSA-N 437.547 2.560 0 40 IFAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O 224652929 ILVKDYRMVFJCFC-KRWDZBQOSA-N 449.548 2.534 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 224923124 OVELSLQUNDPORW-UHFFFAOYSA-N 444.431 2.907 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 225719137 MKPREELJQBVHNW-ZDUSSCGKSA-N 442.484 2.795 0 40 IFAB O=C(NC(c1ccccc1)c1ccccc1)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238962578 YPXRHIWCRUWVMM-UHFFFAOYSA-N 439.541 2.605 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)c(OC)c1 257261473 LHLOYXGYAXIFEH-QGZVFWFLSA-N 440.544 2.761 0 40 IFAB CN1CCN(c2cc(C(=O)N3CCOC[C@@H](Cc4cccc5ccncc45)C3)ccn2)CC1 257269641 MQTUCKPIIKVCSZ-FQEVSTJZSA-N 445.567 2.713 0 40 IFAB Cc1cccc(CN2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccncc4)C3=O)C2)n1 306127501 GADYNEGDZCUDKV-WIOPSUGQSA-N 430.556 2.927 0 40 IFAB C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 306144991 ZUBCFACKRSREFP-YFVAEKQCSA-N 440.569 2.634 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409371478 WRIFOWWGJMOFAE-SFHVURJKSA-N 435.484 2.896 0 40 IFAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccc(F)cc3)CCOCC1)C2 556475040 HXTMASVNRNPZHI-UHFFFAOYSA-N 446.544 2.709 0 40 IFAB CN1c2ccc(F)cc2N(CCNC(=O)CCC(=O)c2ccc(Cl)cc2)S1(=O)=O 575610881 BYHXFHHTSOITEV-UHFFFAOYSA-N 439.896 2.759 0 40 IFAB O=C(c1c[nH]c2c(OC(F)(F)F)cccc2c1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 604405785 VNBNQZSWKAVDNO-OLZOCXBDSA-N 445.397 2.848 0 40 IFAB biogenic O=C(c1ccccc1S(=O)(=O)C(F)F)N1C[C@H]2CN(c3ccc(C4CC4)nn3)C[C@@H]2C1 1888879428 RNTCBAWSVARARM-HUUCEWRRSA-N 448.495 2.559 0 40 IFAB O=C(C1CCOCC1)N1CCCCCc2cc(Cl)ccc2OC[C@@H](O)[C@@H](O)CC1 2037972615 HOVSJCXIRONVLL-VQTJNVASSA-N 425.953 2.812 0 40 IFAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)NCc1ccccc1 3220242 QDZVCLORNANEKT-UHFFFAOYSA-N 446.506 2.728 0 40 IFAB CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 3468497 SZDAFZWOTLRVEN-UHFFFAOYSA-N 431.349 2.930 0 40 IFAB CCOCCCn1c(C)c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc12 6195372 JWMZMAVCCDRRPP-UHFFFAOYSA-N 437.544 2.826 0 40 IFAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1C1CC1 8900404 ALMBIQIVMGVEPI-CYBMUJFWSA-N 435.575 2.825 0 40 IFAB COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 9282442 QTTSRTISGILDIZ-MRXNPFEDSA-N 431.496 2.741 0 40 IFAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3cn(C)c4ccccc34)ccc21 9981759 DSLQUFIVDNUWHZ-UHFFFAOYSA-N 426.494 2.930 0 40 IFAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 10187230 OHWJQBVHEVYFMW-INIZCTEOSA-N 439.990 2.903 0 40 IFAB COC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696199 USVRSDFONNVJCS-OCCSQVGLSA-N 448.570 2.593 0 40 IFAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1=O 11905001 VJRDCLTVFHZXHC-JTQLQIEISA-N 432.882 2.592 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCc1ccc(Cl)cc1 12086597 BPKGEVLCYZNUIA-QHCPKHFHSA-N 441.915 2.530 0 40 IFAB CN(C)c1nc2c(c(N3CCN(C(=O)c4ccco4)CC3)n1)CCN(Cc1ccccc1)C2 12325749 HREKEFPMNLYXQX-UHFFFAOYSA-N 446.555 2.656 0 40 IFAB C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1N1CCCCC1 12561651 RSLZKFNLSSWCQJ-QGZVFWFLSA-N 430.574 2.783 0 40 IFAB CS(=O)(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1 12599204 JTHFIHWPYDUZCG-UHFFFAOYSA-N 429.527 2.809 0 40 IFAB CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12658148 OTLJDTMBQKLRPK-BQMVGXAQSA-N 448.556 2.715 0 40 IFAB biogenic CC(C)c1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)n1C1CC1 12918220 JYXFGASLKFDVPX-UHFFFAOYSA-N 429.590 2.977 0 40 IFAB O=C(CCNC(=O)c1ccc(F)cc1F)NCC(=O)Nc1ccccc1Br 12940132 JVASCXYIFQTSSR-UHFFFAOYSA-N 440.244 2.602 0 40 IFAB COC(=O)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1 12946463 WJJKXBNBEFDEDD-QMTMVMCOSA-N 440.349 2.716 0 40 IFAB Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=S 13073149 IHHKGIXGPJJEAP-UHFFFAOYSA-N 443.598 2.817 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 14249405 CSHTVGMTOURERI-UHFFFAOYSA-N 425.894 2.614 0 40 IFAB O=C([C@H]1CN(C(=O)c2cccc(Br)c2)c2ccccc2O1)N1CCOCC1 16964256 ABVZMWKBIIVSNQ-GOSISDBHSA-N 431.286 2.716 0 40 IFAB Cc1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cc1F 19214478 SPZGLWNWGAPGKA-OAQYLSRUSA-N 436.487 2.768 0 40 IFAB Nc1c(C(=O)[C@H]2CCCN2C(=O)c2cc(C(F)(F)F)[nH]n2)cnn1-c1ccc(F)cc1 19337113 QDNRNRXQFFMRTE-CQSZACIVSA-N 436.369 2.823 0 40 IFAB O=C(CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 19405047 MQOIXESPTKEOKJ-QFIPXVFZSA-N 449.599 2.950 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)C3CCCCC3)nc2n(C)c1=O 19743618 UTWXYHVOYVOKSK-OAHLLOKOSA-N 438.450 2.895 0 40 IFAB CCn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1cccc(N)c1 19899308 DVYJPPXJDWXUGY-UHFFFAOYSA-N 436.585 2.984 0 40 IFAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)NC[C@@H]1COc2ccccc2O1 22090725 JZFOVZAVUIXJNR-MRXNPFEDSA-N 426.498 2.845 0 40 IFAB O=C(CSc1ccc2c(c1)OCCO2)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 28234410 RSLJBVOPLQUHJC-AWEZNQCLSA-N 439.580 2.827 0 40 IFAB O=C(NCc1cccc(CN2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 32462049 VUARVZTULYURHJ-UHFFFAOYSA-N 427.570 2.997 0 40 IFAB Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)n(-c2ccc(F)cc2)n1 32858176 UVIOWGKRUULCFO-GUYCJALGSA-N 441.463 2.628 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 32889181 XNCTWAUSUWSCOR-XOBRGWDASA-N 434.514 2.604 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 32986428 NEBZSJIUDGVDKL-REWPJTCUSA-N 439.556 2.849 0 40 IFAB COc1cc(NC(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc(OC)c1 35432322 KFTUSAWQCALVJI-UHFFFAOYSA-N 426.448 2.786 0 40 IFAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccc(Br)cc1 39476993 DXKNSBUVURPZIF-UHFFFAOYSA-N 431.242 2.898 0 40 IFAB COc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 44001511 PWFRIYDKOFWHNN-UHFFFAOYSA-N 429.542 2.860 0 40 IFAB COc1ccccc1[C@H](CNC(=O)Nc1ccc(N2CCOCC2)nc1)N1CCCC1 48288360 VVXYVOZPHQQLIO-FQEVSTJZSA-N 425.533 2.885 0 40 IFAB COC[C@@H](O)CN(C)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 48314569 JZWDODWCAAADBU-KRWDZBQOSA-N 428.558 2.634 0 40 IFAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccc2c(c1)CCC2 57520382 CIAAFSYJWLYZHV-UHFFFAOYSA-N 434.525 2.774 0 40 IFAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 58064365 DIIJVSROLLYAQD-LJQANCHMSA-N 432.542 2.906 0 40 IFAB CCOc1ccccc1N1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2CC)CC1 58160542 VUUNCPJGTOZJBI-UHFFFAOYSA-N 438.572 2.867 0 40 IFAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 58209205 ZPVWLOUUMFVEKC-JBVUFVISSA-N 429.586 2.755 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O 62580351 QHMYISDXHPOZEJ-PSLXWICFSA-N 437.500 2.512 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)c2sc(C)nc2C)nc2c1CN(C(C)=O)CC2 72372325 GAJIHQVJJXSJNC-KRWDZBQOSA-N 428.562 2.864 0 40 IFAB NC(=O)Cc1csc(NC(=O)C2CN(c3nc4c(C(F)(F)F)cccc4s3)C2)n1 77191811 QHCGJSFVLUOGKI-UHFFFAOYSA-N 441.460 2.874 0 40 IFAB C[C@@H](C(=O)NCCn1ccc2ccc(Br)cc21)n1nnc2ccccc2c1=O 79491030 KRFGHGWCCKMVQK-ZDUSSCGKSA-N 440.301 2.886 0 40 IFAB O=C(CN1CCN(c2nccs2)CC1)NC[C@H](c1ccccc1Cl)N1CCCC1 89813243 JHZRFNMZHJJKDF-LJQANCHMSA-N 434.009 2.872 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3ccc4c(c3)OCO4)n(C)n2)c1 90612577 CQAZDMGEJQXXEZ-IBGZPJMESA-N 439.468 2.687 0 40 IFAB O=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N(Cc1ccccc1)c1ccccn1 96124172 FIAOWCBSXZEXPI-UHFFFAOYSA-N 440.511 2.902 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cccnc3)C2=O)cc(OC)c1OC 96544313 DUSXMLLJAUMNDJ-GZTJUZNOSA-N 443.481 2.574 0 40 IFAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(C(=O)c3ccco3)CC2)Oc2ccccc21 100179806 DFGLLSRSIKNJDJ-FJRUVBMXSA-N 449.507 2.519 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(Cl)cc1Cl 102127601 VVDUUCYWPGYQJE-GASCZTMLSA-N 441.311 2.718 0 40 IFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218214879 NUQIJOGDLJPESP-ZIFCJYIRSA-N 438.343 2.897 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)CC1 222543033 GJGRTPSZHOWETC-UHFFFAOYSA-N 445.541 2.734 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222980539 QSOJEMDASDMROI-FQEVSTJZSA-N 445.585 2.623 0 40 IFAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)n1 223605165 TYFCNKXUTXIQNZ-UHFFFAOYSA-N 426.498 2.959 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)CC1 224356254 OQDVVBRUBNPBKS-UHFFFAOYSA-N 445.541 2.816 0 40 IFAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)s1 224538786 HSOZVQADCCXZBV-UHFFFAOYSA-N 428.561 2.696 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 225326874 SWCDNFWJBGFVQR-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)C1=O 409243664 XLDSDSUSIQVTGG-KPKJPENVSA-N 427.251 2.614 0 40 IFAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c1 409358122 KBYNUHZOPVCFRQ-ZDLGFXPLSA-N 439.493 2.843 0 40 IFAB O=C1CN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)CCN1 1673166897 KVBIODUOYLGZAM-QGPMSJSTSA-N 440.466 2.799 0 40 IFAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 778642 FSVBEPVVCTVGKG-UHFFFAOYSA-N 434.489 2.805 0 40 IFAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CC2)c1 2634891 IFSXTZNCTDDNNN-UHFFFAOYSA-N 440.880 2.740 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)n1 3419797 JACQRPMHTMDYPZ-UHFFFAOYSA-N 443.467 2.519 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 8844168 FQFYABWSKVEUKC-LBPRGKRZSA-N 426.498 2.793 0 40 IFAB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)Nc1ccc(N2CCOCC2)cc1 9074819 GPWWKMZNCXNVIK-CQSZACIVSA-N 441.509 2.751 0 40 IFAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9130952 SUVZBKMVHJVQOR-OAHLLOKOSA-N 431.514 2.681 0 40 IFAB CCOC(=O)C1=C(CSc2nc3cc(C(=O)OCC)ccc3n2CC)NC(=O)N[C@@H]1C 9546063 ZRVBODTUPYULHU-GFCCVEGCSA-N 446.529 2.844 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)NCCCOCc1ccccc1 9943272 QOQABXXQHVBYIZ-UHFFFAOYSA-N 427.530 2.876 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@H]1c1cccs1 9971315 XDEQSYRLARYLGC-FYXHJSOBSA-N 428.510 2.999 0 40 IFAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11906043 CHDSTQJQQLBCLI-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB CCc1nc(NC(=O)CN2CC[C@@]3(CCC2=O)CNC(=O)c2ccccc2O3)sc1C 12086625 ODAGUPRYRJKLLS-QFIPXVFZSA-N 442.541 2.526 0 40 IFAB COc1cc(C(=O)N2CCC(c3cc4nc(C)cc(O)n4n3)CC2)cc(OC)c1OC 12134107 NELQZKLGUNOIDX-UHFFFAOYSA-N 426.473 2.789 0 40 IFAB COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)C(C)(C)C)cc(OC)c1OC 12566434 SYOKQBCHXVCHMS-CQSZACIVSA-N 441.546 2.722 0 40 IFAB C[C@H]1Cc2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2N1S(C)(=O)=O 12774757 HBAKJXLRVXHLJA-NSHDSACASA-N 433.555 2.689 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12848912 MDPKNHDWZAHPDN-KKSFZXQISA-N 434.514 2.579 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(Cl)cc(Cl)c1 12916618 KZMTVLBISTWJPZ-UHFFFAOYSA-N 435.354 2.995 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 12918376 GKCWUCOXOGNSJQ-LJQANCHMSA-N 438.977 2.785 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 13082922 YQUFSHYCEGVTIO-CALCHBBNSA-N 430.574 2.777 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2N)cc1OC 13133905 KJVUKYFHZKNUFJ-OFQRWUPVSA-N 433.578 2.633 0 40 IFAB COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 13508541 MJQNBNGPBDBWMW-HSZRJFAPSA-N 447.495 2.870 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 14110761 GHMQAOGHUONCEM-INIZCTEOSA-N 429.542 2.788 0 40 IFAB CNC(=O)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 14246694 UEZJHLZRIANZDY-UHFFFAOYSA-N 443.569 2.883 0 40 IFAB O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccccc1Br 15373181 IOXHZRNYMBSGNO-UHFFFAOYSA-N 432.318 2.763 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3cnc(N(C)C)nc3)C1)O2 19019619 ZYTHJMACCLXDJV-WMZHIEFXSA-N 439.560 2.573 0 40 IFAB COc1cccc2c(=O)c(C(=O)N3CCC[C@@H](c4cc5nc(C)cc(O)n5n4)C3)c[nH]c12 19116778 HNZBLHVTFXDXRD-CQSZACIVSA-N 433.468 2.613 0 40 IFAB Cc1cccc(CC(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c1 19234813 GNXDHVBZSIRFLK-SFTDATJTSA-N 435.572 2.695 0 40 IFAB O=C1CCC[C@]2(CN(C(=O)CN3C[C@@H](c4ccccc4)CC3=O)C[C@H]2c2cccc(F)c2)N1 19369903 XHBSLUPYYJXSFL-WDZJFXIESA-N 449.526 2.807 0 40 IFAB CC(=O)NCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)CC1 19705658 GKSQTNKVWRWMLG-UHFFFAOYSA-N 439.535 2.719 0 40 IFAB COc1ccc([C@H]([C@H](C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC 20191919 AUNVLATUOFSGJT-FGZHOGPDSA-N 446.569 2.722 0 40 IFAB C[C@H](O)CNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20390162 NJGJEQJSTGBLSY-LBPRGKRZSA-N 429.546 2.720 0 40 IFAB O=C(O)C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 20463423 BDPBTFVKWCLSET-OALUTQOASA-N 442.585 2.908 0 40 IFAB biogenic,in-vitro Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 20726086 SVLVSWGCULQKJA-RBBKRZOGSA-N 435.480 2.586 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22796417 CYICFKJTZOBDPF-FQEVSTJZSA-N 432.927 2.831 0 40 IFAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854132 FLWBPKPBJWNGPN-KRWDZBQOSA-N 430.530 2.996 0 40 IFAB CC(C)CCN(C(=O)[C@@H]1CC1(Cl)Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23683912 RUDWPJVAQFPKHR-AWEZNQCLSA-N 439.343 2.740 0 40 IFAB COC(=O)c1n[nH]c2ccc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)cc12 25016307 BWJYMWFCGOCKBS-UHFFFAOYSA-N 436.449 2.650 0 40 IFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 26397656 PJUUEBAJQWLEAP-HXUWFJFHSA-N 436.537 2.848 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc2c(c1)OCCCO2)CC3 28059420 NWTRZUBVKMQKJF-UHFFFAOYSA-N 442.493 2.863 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32799951 KEMPRDAXRQGTEV-QFIPXVFZSA-N 441.597 3.000 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 33681675 QPPJWUXALFDCBK-UHFFFAOYSA-N 442.493 2.537 0 40 IFAB Cc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC(C)(C)C)N(CC(C)C)C(=O)[C@H]13 35314551 SMHKVONVNIZTLM-RLTOQUHHSA-N 439.556 2.655 0 40 IFAB Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4cccc5c4c3CC5)ncn2)n1 35597314 UJIZKEQEOHQJRS-UHFFFAOYSA-N 448.552 2.921 0 40 IFAB CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2ccc(F)cc2)c1 40140096 QNEUYXPEQMMOMB-UHFFFAOYSA-N 448.257 2.933 0 40 IFAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 40399934 ZTQARCLKVWLLGL-OAHLLOKOSA-N 449.467 2.904 0 40 IFAB COc1ccc2cnn(CC(=O)NCCn3ccc4ccc(Cl)cc43)c(=O)c2c1OC 71283836 MGEOLVHNAZQXKE-UHFFFAOYSA-N 440.887 2.838 0 40 IFAB COc1ccc(OCc2nnc(NC(=O)C[C@@H]3Oc4ccccc4NC3=O)s2)cc1 72391494 HCHOYXJDEFNFBX-INIZCTEOSA-N 426.454 2.854 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1 77200609 HDNHUOKPSMPRMB-UHFFFAOYSA-N 435.502 2.731 0 40 IFAB CCOc1ccc(N(CC(=O)n2cc(C(=O)OC)c3ccccc32)S(C)(=O)=O)cc1 222581933 RMYQYOJDKAKWOB-UHFFFAOYSA-N 430.482 2.933 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCCO2 223412821 IMYLTPJDKNZGJC-HXUWFJFHSA-N 426.513 2.952 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C(=O)NC(C)C 224781218 BPZYBDYXRDCOAV-UHFFFAOYSA-N 445.585 2.908 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247748619 RESSSVYMVVHWDL-BDXSIMOUSA-N 427.382 2.706 0 40 IFAB COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 257311842 ULFVORPZRBQULU-GOSISDBHSA-N 446.573 2.899 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@@]2(CCn3ncnc3[C@H]2NC(=O)c2ccccc2)C1 306125287 CLGZYGNEEDXLNG-RCZVLFRGSA-N 429.524 2.923 0 40 IFAB COc1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408624384 TVWALFPQCMIJMF-UHFFFAOYSA-N 427.320 2.858 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Cl)c1 408635398 AKPRIZCSLLEGDS-CQSZACIVSA-N 426.922 2.521 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccccc1OCC 408739453 WJGJROPJCQJHGL-PHJXOXRPSA-N 449.532 2.592 0 40 IFAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 409175467 ROPYMHSGIFEINR-LZYBPNLTSA-N 445.884 2.879 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(C)cc1 409389111 OVAXHSHJTSNMPE-LJQANCHMSA-N 432.542 2.803 0 40 IFAB Cc1ncc2n1CC[C@@H](C(=O)N1CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC1)C2 583662761 UMMBUZJOOJSOOE-QGZVFWFLSA-N 440.935 2.802 0 40 IFAB CCc1cc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cs1 643564147 OTGPRTZYFGRBJF-KRWDZBQOSA-N 449.617 2.744 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCc3cc(C)c(Br)cc3C2)c(C)o1 1646503779 BLKCSXFKTAUKOT-UHFFFAOYSA-N 427.320 2.766 0 40 IFAB COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(C(C)C)cc4)sc3nc2=O)cc1OC 2409481 ZJDZNLMTVNKXAB-BKUYFWCQSA-N 449.532 2.790 0 40 IFAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 2949046 IFUBMOYZFKIIIE-GRTQGXPSSA-N 434.448 2.871 0 40 IFAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1 3225455 CKIOQIXNKLNHDA-UHFFFAOYSA-N 437.525 2.548 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccc(Br)o1)Nc1ccccc1OC(F)F 3328935 QBCPFXFKAJDNNS-UHFFFAOYSA-N 447.188 2.555 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)nc1C 6550689 BQZOHKHCHOLDMC-UHFFFAOYSA-N 432.531 2.952 0 40 IFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 8383899 KQAXOMJKMAJWFS-QGZVFWFLSA-N 425.437 2.651 0 40 IFAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 9049264 SEKLEKAWCKEBFK-MRXNPFEDSA-N 430.526 2.505 0 40 IFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2N)c(=O)n(-c2ccccc2)n1C 9335746 VGRNMOWANMVABU-ZDUSSCGKSA-N 428.876 2.904 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 9383902 UPEFZSJLUHQRLG-CQSZACIVSA-N 448.497 2.630 0 40 IFAB Cc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)[nH]c2c1 9428269 CNMBZKOASXXTPV-UHFFFAOYSA-N 439.537 2.594 0 40 IFAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)ccnc2n(C)c1=O 9471978 JCDHGOWOZWVRHQ-UHFFFAOYSA-N 425.297 2.670 0 40 IFAB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)c(C)n1C1CC1 9814295 MKTDGINEYUIGEN-UHFFFAOYSA-N 445.541 2.585 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(F)c3)c(=O)n2[C@@H]1c1cccs1 9971313 XDEQSYRLARYLGC-QIPHDZALSA-N 428.510 2.999 0 40 IFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2cc(OC)ccc2OC)n2nnnc2N3)c1 10296954 LUBYBAVZDJQUBH-IBGZPJMESA-N 433.428 2.556 0 40 IFAB Cn1cc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 11666160 GBIKCUQWMPEPEZ-UHFFFAOYSA-N 447.539 2.541 0 40 IFAB COc1cc(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)c(C)cc1C 11697442 MSBHNYXZOGORAT-UHFFFAOYSA-N 428.518 2.631 0 40 IFAB C[C@@H](NC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1)C(=O)N1CCCCC1 12219731 IDPZWXZAOLGNNK-MRXNPFEDSA-N 428.558 2.778 0 40 IFAB COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1S(=O)(=O)N1CCOCC1 12540333 MMNHDCJURFVJPL-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccc(Cl)cc2s1 12805468 VHAGFMGYMKPMEX-UHFFFAOYSA-N 440.934 2.561 0 40 IFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 12924083 VAUIOQRTRUZJGD-OAHLLOKOSA-N 448.516 2.875 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CCCCCC3)C2=O)cc1OC 13061884 CCSYLHAFTJVFBH-RGEXLXHISA-N 447.557 2.732 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1C 13148050 BHRQKSVZMQTMLF-RUZDIDTESA-N 447.491 2.927 0 40 IFAB COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13508532 NVNNMBRIFKVYRA-QFIPXVFZSA-N 433.468 2.561 0 40 IFAB COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(F)(F)F)c1)N(C)CC3)OCO2 13788439 CCDNMWGRRMWADA-INIZCTEOSA-N 433.390 2.996 0 40 IFAB Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc(=O)c2c1 14109271 CRXAQOILAGXNGO-NTEUORMPSA-N 438.505 2.860 0 40 IFAB CCCn1nc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ccccc2c1=O 14188755 FDRCTVCAIYBFMB-UHFFFAOYSA-N 432.524 2.699 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 15343532 QYTXEIRRYPUDRA-UHFFFAOYSA-N 437.949 2.561 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)CC1 19016730 CRFZFFQBPYRCEG-FQEVSTJZSA-N 436.560 2.569 0 40 IFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 19171527 PZSBHXCUDDXJAN-FHWLQOOXSA-N 442.313 2.993 0 40 IFAB O=C(CSc1ccc2c(c1)OCCCO2)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 19297875 HDHTVDNSECVYBA-MRXNPFEDSA-N 425.572 2.898 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1ccccn1)C2 19695656 HNNMTPZYEQKUEL-NRFANRHFSA-N 432.503 2.894 0 40 IFAB CN(Cc1ccc2ncccc2c1)C(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1 19751002 MSPNPCBCTUBQSB-UHFFFAOYSA-N 433.493 2.764 0 40 IFAB COc1ccccc1OCC(=O)N1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1 19765919 KJGKIHLTZKZTGB-UHFFFAOYSA-N 438.528 2.693 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc12 19940886 SLBFFSWPQDGFDN-QHCPKHFHSA-N 443.555 2.517 0 40 IFAB COc1ccc(N(CC(=O)N(C)Cc2ccccc2OC)S(C)(=O)=O)cc1Cl 20040328 MYXSECGCWQPMDW-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(F)cc1 20328680 MADVTBSILUBXBR-GOSISDBHSA-N 436.436 2.610 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc(C)c1 20801571 VDVSVDWZNRJAPU-NHCUHLMSSA-N 438.503 2.663 0 40 IFAB Cc1cc(Cl)ccc1OCC(=O)NCCNC(=O)c1nc(-c2ccccc2F)no1 21454040 WKCLIOZYPOQYJI-UHFFFAOYSA-N 432.839 2.763 0 40 IFAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22659487 FJEUPWZKCBDRLB-UHFFFAOYSA-N 442.459 2.585 0 40 IFAB COc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1S(=O)(=O)N1CCCC1 22759631 SRPZHVQRPOPRLV-MRXNPFEDSA-N 437.587 2.574 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc2ccccc2c(=O)[nH]1 23004678 ZDCZZUNYESNREM-UHFFFAOYSA-N 425.388 2.621 0 40 IFAB CCCCc1noc([C@@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1 24866133 XONHKBOXCGSTQE-LLVKDONJSA-N 432.550 2.904 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccn2)c1 25346981 PROVWLBBZCPXRR-UHFFFAOYSA-N 426.336 2.851 0 40 IFAB O=C(CSc1nnnn1C1CCCCC1)NC(=O)Nc1ccc2c(c1)OCCCO2 27811761 KEBBLKMVXCGIKU-UHFFFAOYSA-N 432.506 2.780 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 30345908 CGCKCJBWOPNUJO-LFPIHBKWSA-N 449.463 2.848 0 40 IFAB Cc1ccccc1-n1cnnc1SCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 32870969 SMCSOLRYSWAHFW-UHFFFAOYSA-N 445.570 2.947 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 32889183 XNCTWAUSUWSCOR-VBKZILBWSA-N 434.514 2.604 0 40 IFAB C[C@@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 32895549 LMHRIBWDLVJGHZ-GHMZBOCLSA-N 443.875 2.583 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 36394679 ZAMJRJFWPWJZTQ-QFIPXVFZSA-N 427.570 2.711 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1ccccc1Br 41157688 BENDOUGOBOACGP-SFHVURJKSA-N 447.329 2.860 0 40 IFAB O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1ccc(F)cc1 57503896 TZTVQKUZHFJOBL-UHFFFAOYSA-N 430.399 2.991 0 40 IFAB O=C1C[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)CN1Cc1cccc(C(F)(F)F)c1 59037251 HWLHUBMFFJGZSI-GOSISDBHSA-N 446.473 2.793 0 40 IFAB CCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1 59248378 RNGIOPLOAXMDJG-JOCHJYFZSA-N 428.510 2.693 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67317024 FODOCJZHUOBRAE-INIZCTEOSA-N 425.558 2.981 0 40 IFAB Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 72283531 QESGGKFFUJLFJN-UHFFFAOYSA-N 430.507 2.915 0 40 IFAB COC(=O)c1nc(NC(=O)CCn2nnc3ccccc3c2=O)sc1Cc1ccccc1 72404300 JBORNVWUFXTDKW-UHFFFAOYSA-N 449.492 2.654 0 40 IFAB CC(=O)N1C[C@H]2C3(CCN(C(=O)Cc4ccccc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143817 HZVWJIGBAFNJQZ-BKMJKUGQSA-N 437.584 2.719 0 40 IFAB NC[C@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218239005 KABRPIILECQRPU-IKGGRYGDSA-N 430.751 2.980 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220449483 LUYCVNQYNIWNSM-GFCCVEGCSA-N 426.441 2.853 0 40 IFAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(Cl)cc1 225309339 FYHFZMCYMZMQIV-UHFFFAOYSA-N 436.961 2.971 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257330510 XOSJRUKEFPMTEK-HXUWFJFHSA-N 426.498 2.618 0 40 IFAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NCc2ccco2)cc1 408668327 WBVBGOGZIOFMCM-UHFFFAOYSA-N 430.457 2.671 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1ccc(CC)cc1 409375655 NOPALZIDBAUXRS-GOSISDBHSA-N 435.484 2.841 0 40 IFAB Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 503329440 ARDRNTKNUPULOD-ZDUSSCGKSA-N 443.447 2.550 0 40 IFAB CN(C)CCCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O 524729304 NHUAPGXQVNKSBQ-INIZCTEOSA-N 438.480 2.817 0 40 IFAB biogenic COc1nc(CNC(=O)Nc2ccc(SC(F)(F)F)cc2)nc(N2CCOCC2)n1 575606327 HLVFEROQUUAMTN-UHFFFAOYSA-N 444.439 2.650 0 40 IFAB CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCC(=O)N2CCCC2)cc1 585269800 KGFMNFTWSVGJSI-OAQYLSRUSA-N 442.556 2.958 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1=O 643556814 OCZSIYIJQNBFMS-VWLOTQADSA-N 437.540 2.947 0 40 IFAB CN1CCN(CC(=O)N2CCC3(CCCCc4ccccc4OCCN(C)C3)CC2)CC1 643570919 YMJPNMILEDPPEI-UHFFFAOYSA-N 442.648 2.580 0 40 IFAB COC(=O)C1=NO[C@]2(CCN(C(=O)[C@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)C2)C1 1635976068 HNRDCQGNFQBIPA-WZONZLPQSA-N 443.500 2.582 0 40 IFAB COC(=O)CN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 2212920 WPFFQKNXLYNFQR-INIZCTEOSA-N 431.901 2.844 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)cc1 3310703 GRQRJORISCFVFI-QGZVFWFLSA-N 430.526 2.527 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8791532 KORZJRHCDXYWAD-NCSKUMKGSA-N 442.519 2.930 0 40 IFAB biogenic COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(F)c1F 9064833 USHHFYUVGIWYIF-UHFFFAOYSA-N 441.362 2.604 0 40 IFAB O=C(NCc1ccncc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094877 GTOFHTZXMIMMLG-HXUWFJFHSA-N 429.929 2.941 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 9120341 HERYWJXUOISCRU-UHFFFAOYSA-N 443.424 2.844 0 40 IFAB COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 9306272 AETJOYCYSYABOQ-MOPGFXCFSA-N 446.550 2.513 0 40 IFAB COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc3[nH]c(=O)[nH]c(=O)c23)cc1OC 9530931 SKMOESCHJYYZMJ-UHFFFAOYSA-N 429.436 2.943 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(Cl)s1 9761740 MKRBXERRCMBUGK-UHFFFAOYSA-N 440.886 2.892 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1C 9974557 MTVJNRDEMCCTTD-OAHLLOKOSA-N 432.498 2.772 0 40 IFAB Cc1cc(=O)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)nn1-c1ccccc1F 10622443 KASRUEPUNJQHIS-OAHLLOKOSA-N 438.459 2.930 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3Cc4ccccc4S3)CC2)cc1 11192866 OSCGUEGCZVOBJW-HXUWFJFHSA-N 432.567 2.682 0 40 IFAB C[C@@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11482007 ZCJKJJUBEFLHEU-GFCCVEGCSA-N 440.905 2.715 0 40 IFAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(c2cnccn2)CC1 11542971 IRPONUFPLUNQCZ-XMMPIXPASA-N 431.540 2.662 0 40 IFAB CCn1cc(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)c(C)n1 12085540 UMFSIWUDUXTXRB-JOCHJYFZSA-N 443.935 2.812 0 40 IFAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 12371936 UZOQQYAEEPJMRW-PTLRMSDHSA-N 440.908 2.512 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2N2CCCC2=O)c1 12770780 JAYKUYADOMDNIT-UHFFFAOYSA-N 431.514 2.802 0 40 IFAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12979336 IOKIUCACKBGCEB-UHFFFAOYSA-N 436.516 2.865 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 12979970 JAMZFDZOBDTTCK-GFCCVEGCSA-N 435.933 2.728 0 40 IFAB COc1ccc([C@H]2CCCCCN2C(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 12994444 PDMIFVBTTIJDLR-LJQANCHMSA-N 427.526 2.878 0 40 IFAB COc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(Cl)c4)c3=O)n2)cc1 16845452 XBWFZJWYEOZULM-UHFFFAOYSA-N 449.858 2.797 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N=C3CC(C)(C)CC(O)=C32)cc(C(=O)OC)c1 18219527 NWIBQVMWTSOPOW-AWEZNQCLSA-N 428.441 2.818 0 40 IFAB COc1ccccc1CNC(=O)c1cc(C2CCN(C(=O)c3cncnc3C)CC2)no1 19552926 VQYVBUQTQBXZPL-UHFFFAOYSA-N 435.484 2.731 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2ccccn12 20736424 JYXPLCRNJMOHLV-QGZVFWFLSA-N 445.570 2.629 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2cccs2)CC1 22226004 SZQXUAUPWJSLAV-MRXNPFEDSA-N 439.628 2.555 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCSc2ccc(Cl)cc2)Oc2ccccc21 22516418 QWXLPZVCQFBMIF-QGZVFWFLSA-N 426.947 2.776 0 40 IFAB CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc2c(c1)OCCCO2 22880094 DYZJIJJNEKXSCW-UHFFFAOYSA-N 430.526 2.986 0 40 IFAB CN(CC(=O)NC(C)(C)C)C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 23079083 HDISZOCJIHKSIH-UHFFFAOYSA-N 437.606 2.557 0 40 IFAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 24136875 YONKTLRLDVTOLW-UHFFFAOYSA-N 429.561 2.913 0 40 IFAB O=C(C[C@@H](c1ccc(F)cc1)c1cc(Br)ccc1O)NCCOCCO 27578359 VDRXUKBWFLXLEI-INIZCTEOSA-N 426.282 2.941 0 40 IFAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 30877191 INWRIHUEQFOPKE-KRWDZBQOSA-N 427.476 2.692 0 40 IFAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccc(N2CCCC2)nc1 33017181 FXJFXXQILBEFSV-UHFFFAOYSA-N 438.557 2.754 0 40 IFAB CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 35316066 XTORPSQYYCTDEN-OAQYLSRUSA-N 426.492 2.686 0 40 IFAB CCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 40441890 ITYMTTQVNYAJAA-UXTGYCKKSA-N 448.531 2.857 0 40 IFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)n1 48236949 RFNRBQQCVIRMBL-UPCLLVRISA-N 437.544 2.641 0 40 IFAB NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 49835872 RESSSVYMVVHWDL-XLAORIBOSA-N 427.382 2.706 0 40 IFAB CCOC(=O)c1ccc(N2CCCN([C@@H](C)C(=O)Nc3ccccc3OC)CC2)nc1 62582673 BXOCSAUOAWNCIY-KRWDZBQOSA-N 426.517 2.806 0 40 IFAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc5c(c4)OCO5)c3)c2)n1 71768447 GJLGKYIWRUPMHJ-UHFFFAOYSA-N 432.440 2.929 0 40 IFAB C[C@@H]1CC(=O)NCCN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 71889434 RLHNRCQPNXGCNV-MRXNPFEDSA-N 437.569 2.905 0 40 IFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 72346089 AWYNEHNZCGPSPG-GOSISDBHSA-N 433.487 2.913 0 40 IFAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3F)nc2c1 96112377 QFXKLXKIRNITRU-QRWLVFNGSA-N 427.432 2.817 0 40 IFAB biogenic,in-vitro COc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)CC2)cc1 96376269 YORUPGIGTOLWKS-UHFFFAOYSA-N 430.526 2.661 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4c[nH]c5c(OC)cccc5c4=O)C3)cc2n1 100138282 CSHWPLXPKLLBBE-CQSZACIVSA-N 447.495 2.867 0 40 IFAB COCC(=O)N1CCc2c(nc3cc(C4CCN(C[C@H]5CC=CCC5)CC4)nn3c2O)C1 100232746 BZBBCEFWWLIVAI-KRWDZBQOSA-N 439.560 2.502 0 40 IFAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)CC1 102674453 ZZICPWHSWMHUCI-SZPZYZBQSA-N 445.567 2.942 0 40 IFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3N3CCCN23)cc1 102682545 YDAZWDQJHIXODA-GUDVDZBRSA-N 442.313 2.993 0 40 IFAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 223744582 CVVJBHKMJBBCTH-UHFFFAOYSA-N 430.526 2.604 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225207633 VVIZQUXHJWYBNF-IBGZPJMESA-N 445.585 2.705 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c1 225474568 RKKNRHNTEAAWHT-UHFFFAOYSA-N 440.525 2.762 0 40 IFAB COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225599440 ADCXBTCFIXHVFA-CYBMUJFWSA-N 448.526 2.545 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260903578 PMJBOHVPXLVSNJ-AZUAARDMSA-N 439.597 2.997 0 40 IFAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)c1 408669375 WFNHLJNCDGZSQS-UHFFFAOYSA-N 447.403 2.782 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 409056270 GNTIBKLIAJVAHC-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB CCn1c(SCC(=O)Nc2ncccn2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409124492 HYNLQGRJWAVNHW-CQSZACIVSA-N 425.518 2.618 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1csc(-c2cccnc2)n1 524734192 GSQSHMTXHIIFQI-LTMIRXACSA-N 434.521 2.974 0 40 IFAB C[C@H](C(=O)Nc1cnn(C)c1C(N)=O)n1nc(C(F)(F)F)c(Br)c1C1CC1 2777831 DUZTVUYNRRYIFY-ZCFIWIBFSA-N 449.231 2.574 0 40 IFAB CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 6089655 KKIREBLFSAPIAA-CYBMUJFWSA-N 431.924 2.683 0 40 IFAB CCN1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc2Cl)CC1 8315687 FVXFWTLQBCZYEH-IYBDPMFKSA-N 427.998 2.784 0 40 IFAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 8584762 IRUGXSLUUXNGHP-FQEVSTJZSA-N 426.494 2.536 0 40 IFAB CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(OC)cc1 8590826 IIZQYSWBIPXEKD-SFHVURJKSA-N 443.891 2.813 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccco2)cc1 8601313 XJSWMTABZOTXTO-NRFANRHFSA-N 440.521 2.578 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 8723501 QQJUGSNHPNOXIR-FQEVSTJZSA-N 445.269 2.950 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]2c2cccs2)C1=O 8942346 YRQLMNONXCGWBO-VGOFRKELSA-N 426.542 2.860 0 40 IFAB Nc1nonc1NC(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 9264064 DNLWSONRMGMOQM-UHFFFAOYSA-N 446.496 2.918 0 40 IFAB CCn1c(C)cc(O)c(C(c2ccc3c(c2)OCO3)c2c(O)cc(C)n(CC)c2=O)c1=O 9302915 PQUJMZDXQUXOBI-UHFFFAOYSA-N 438.480 2.987 0 40 IFAB O=C(O)CCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl 9327340 XNNLWOVKABYIJJ-YBEGLDIGSA-N 430.844 2.821 0 40 IFAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 9379206 UZULHKKOSPIZDD-UHFFFAOYSA-N 430.504 2.815 0 40 IFAB CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 9448126 RWHQZHUKGXGWCR-APWZRJJASA-N 443.544 2.748 0 40 IFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 9462007 XIFXIGMZKSBZCG-QGZVFWFLSA-N 433.574 2.899 0 40 IFAB COc1cccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1OC 9465771 OYZULHZIUALEOE-UHFFFAOYSA-N 438.571 2.825 0 40 IFAB CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCC2)CC1 9469167 VQXFLMPBLOQASM-UHFFFAOYSA-N 434.606 2.742 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2ccccc2n1 9510132 QKUTWHQRGOLUAN-HNNXBMFYSA-N 441.509 2.978 0 40 IFAB Cc1cccc(-n2c(SCC(=O)O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 9562790 QRJQVXCQFAODDR-UHFFFAOYSA-N 432.527 2.670 0 40 IFAB O=C1CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2N1 9585466 CYBSZVZHCNXXFQ-UHFFFAOYSA-N 443.459 2.612 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2cccc(O)c2)cc1S(=O)(=O)N1CCCCC1 9665723 QSPOEAIGHKRLJY-UHFFFAOYSA-N 432.498 2.671 0 40 IFAB O=C(NCc1nnc2ccccn12)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 9949571 MBRXAVBFKPAJSK-UHFFFAOYSA-N 447.948 2.877 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)Oc2ccccc21 10009221 SCWOOAIQHNVKDM-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc(OC)cc2OC)n2nnnc2N3)c1 10296941 SBKUGGXSVAFSTP-IBGZPJMESA-N 433.428 2.556 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(CN(C(C)=O)Cc4cc(C)ccc4O3)C2)cc1 12087189 VPGIWJLQZZSUBP-HSZRJFAPSA-N 444.553 2.968 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)c(OC)c1 12197439 NYPGQAJQPFEYTJ-QGZVFWFLSA-N 434.514 2.548 0 40 IFAB CN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2C1=O 12745494 XSIYCDHKQQJYJC-UHFFFAOYSA-N 441.509 2.729 0 40 IFAB Cc1nc(-c2ccc(NC(=O)CCc3c(C)nc(N4CCOCC4)[nH]c3=O)cc2)cs1 12798056 OGWQIYCACMARHT-UHFFFAOYSA-N 439.541 2.918 0 40 IFAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 13005610 JCRXTKGGMWYYDH-SFHVURJKSA-N 436.530 2.814 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 13073601 BETWWNREBFPOKZ-UHFFFAOYSA-N 433.534 2.711 0 40 IFAB COc1cc(/C=C/C(=O)NCCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 13451941 CHEMZHJQHCVLFI-MKICQXMISA-N 440.496 2.854 0 40 IFAB endogenous,in-man CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)o1 14014102 XXHLSKXVEFJNAZ-HUUCEWRRSA-N 444.513 2.543 0 40 IFAB CC(C)c1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14249328 OSMWXXFPRCRHQN-LJQANCHMSA-N 436.549 2.695 0 40 IFAB CCSCCN(CCSCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 15277287 HUYZNILDGXTWMZ-UHFFFAOYSA-N 426.651 2.555 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022265 QKWYHISIVFQWLP-ULMVMLMRSA-N 434.334 2.626 0 40 IFAB O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)[nH]c2=O)C1 19370781 ZOCJKJMCQSKVDX-NRFANRHFSA-N 434.540 2.751 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cn2cncn2)C1 19449308 XYJLZUHZEOETNX-HSZRJFAPSA-N 437.569 2.993 0 40 IFAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(C(=O)c4sc(C)nc4C)CCO3)nc2)cn1 19693528 NNQQDCPTKSZZLZ-IBGZPJMESA-N 437.525 2.790 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)on2)n1 19709930 YLGOQCMYGFKMKY-SFHVURJKSA-N 426.521 2.754 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)c1ccc(COC)cc1)CC2 19711388 MAVWWBVFHXNWCP-UHFFFAOYSA-N 437.544 2.589 0 40 IFAB O=C(c1ccccc1)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19761997 KRQWJFVRAQAYFF-QHCPKHFHSA-N 431.492 2.921 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3OC)c2N)cc1Cl 20575029 CKMMPFQVLJDWPG-UHFFFAOYSA-N 444.879 2.730 0 40 IFAB Cc1c(CC(=O)N2CCN(CCO)CC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 20624170 GUVOFVAGEDHLKK-UHFFFAOYSA-N 426.513 2.824 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(N2CCOCC2)cc1 22533257 LFWYOKRWDKJNKL-UHFFFAOYSA-N 438.509 2.971 0 40 IFAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(CCO)CC3)c(O)n2n1 22626933 ORXKXHNMBNQVKV-OAHLLOKOSA-N 442.372 2.811 0 40 IFAB COc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCOCC1 23107731 NXRFVVZYJKBKPV-JOCHJYFZSA-N 433.508 2.977 0 40 IFAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2 23138906 CIMQBLDLBZTRQA-UHFFFAOYSA-N 428.436 2.664 0 40 IFAB COc1ccc(CN2CCN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)cc1 23805673 YJDSBHFIDCKQGB-OAQYLSRUSA-N 444.601 2.657 0 40 IFAB C[C@@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 25644605 RBIHVHRTASYOFE-OAHLLOKOSA-N 427.482 2.601 0 40 IFAB COc1ccc([C@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccccc2OC)c(OC)c1 29598310 DLKKXHIMUVXBBX-LJQANCHMSA-N 441.528 2.758 0 40 IFAB COC[C@H](C)NC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616033 KXPZMFRZTSSLHS-JSGCOSHPSA-N 448.570 2.593 0 40 IFAB O=S(=O)(N1CCOCC1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 40072326 RMIBKBVNYMEGQI-UHFFFAOYSA-N 442.006 2.763 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)cnc32)c1 40478134 WYVQREORARKNGV-UHFFFAOYSA-N 438.875 2.645 0 40 IFAB O=C(NCc1cccnc1-n1cncn1)N[C@H](CN1CCCCCC1=O)c1ccccc1 58163145 MACFVKSLFKVMOY-HXUWFJFHSA-N 433.516 2.605 0 40 IFAB COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)c3cccnc3)cc2)cc1 67896357 PHDLDAQYEQBGMD-ISKFKSNPSA-N 447.491 2.804 0 40 IFAB biogenic,in-vitro Cc1ncsc1C(=O)N1CCC(c2nc(-c3ccccn3)ncc2S(C)(=O)=O)CC1 72335848 NDOIGGGZHPINML-UHFFFAOYSA-N 443.554 2.727 0 40 IFAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)COCCN3CCCC3=O)n2)n1 72375552 RQVVNOJOIZIEMN-QGZVFWFLSA-N 429.546 2.893 0 40 IFAB O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 78902760 RVCNVQSBIZTDTQ-UHFFFAOYSA-N 427.482 2.755 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 95458925 FJCFMAMTIPBOMB-HXUWFJFHSA-N 448.589 2.590 0 40 IFAB Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(Cc5ccccn5)CCN4C)n3c2)cn1 96156670 LRTWNPDCPLIRGX-NRFANRHFSA-N 442.527 2.569 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)C(=O)c1cccc(F)c1 96518565 KOCKOCOPWILBDM-SNVBAGLBSA-N 435.052 2.927 0 40 IFAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(=O)N2CCOCC2)C1 102340371 YISSZKJLHMMHPU-PUMWCKSCSA-N 444.553 2.807 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOCc1ccccc1)c1ccccc1Br 223694861 DPFVXYKJXAJHLB-UHFFFAOYSA-N 441.347 2.548 0 40 IFAB CCCc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225198385 CVJMYIIIYYUWNY-UHFFFAOYSA-N 426.564 2.833 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 225453276 YGZOGNULDJWBKM-UHFFFAOYSA-N 437.949 2.880 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccc(OC)cc6OC)[C@@H]45)[C@H]3C2=O)cc1 248177589 BIFZSCVBWDVLQM-YMESQTMQSA-N 448.475 2.887 0 40 IFAB Cc1ccc(Oc2cc(F)ccc2O[C@@H]2CCC[C@@H](NC(=O)COCC(=O)O)[C@H]2O)cc1 257215170 CPASFOWMNJOOPC-LYHRCORUSA-N 447.459 2.805 0 40 IFAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cccn3nccc23)C1 257270036 MSNMXZWKVQDWJH-QGZVFWFLSA-N 438.503 2.700 0 40 IFAB COc1cccc2ccc(CN3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)nc12 257287047 POHAAVYGDQXOGW-GOSISDBHSA-N 435.528 2.819 0 40 IFAB CCOc1ccccc1N(CCCC(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260905605 RAPFMYJRWWWALH-KRWDZBQOSA-N 448.541 2.588 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc2c(c1)OCCO2 408702992 LSGJKELBUGBIKD-UHFFFAOYSA-N 442.603 2.796 0 40 IFAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cccc(Cl)c1C 409379713 ZPZUPEXNJDSFTA-INIZCTEOSA-N 441.875 2.850 0 40 IFAB O=C(c1ccc2nc[nH]c2c1)N1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1 549520229 KOERJZKMPAUMJF-UHFFFAOYSA-N 425.496 2.866 0 40 IFAB COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 606422506 ZTIUOWDLRRZASR-UHFFFAOYSA-N 445.472 2.778 0 40 IFAB O=C(Cn1ccc2ccccc21)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972815 WZUCQMBVUDTIPO-UHFFFAOYSA-N 443.433 2.837 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1OC 639970 AQDYGLRVDYIUFG-UHFFFAOYSA-N 427.482 2.933 0 40 IFAB O=C(COC(=O)CCCc1nc2ccccc2s1)NC(=O)[C@H]1COc2ccccc2O1 3365968 ZSGNAMAFPZBFRO-QGZVFWFLSA-N 440.477 2.645 0 40 IFAB CCC(CC)NC(=O)COC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 3509789 PVBNOOPMVUIWMN-UHFFFAOYSA-N 434.514 2.958 0 40 IFAB Cc1ccc2c(c1)n(S(=O)(=O)c1ccccc1)c(=O)n2S(=O)(=O)c1ccccc1 8763564 HKDQHQCUQYDUPY-UHFFFAOYSA-N 428.491 2.585 0 40 IFAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c1 9192838 KFZFELQKBSWFLW-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288713 ISLQNCGHQVXTFC-HUUCEWRRSA-N 433.505 2.894 0 40 IFAB Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)COc2ccc(Cl)cc2)c1 9426082 KGGZQRJEHDEBFO-IBGZPJMESA-N 429.904 2.691 0 40 IFAB Cn1c(=O)c2c(ncn2CC(=O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n(C)c1=O 9635280 ASORWOKJMZMGEX-UHFFFAOYSA-N 448.523 2.507 0 40 IFAB CCOc1ccc([C@@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10297308 VTPYQAOPLGYLSZ-HXUWFJFHSA-N 447.455 2.946 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1 12569501 XSKPBNDTIWOPCR-FMKFIRIRSA-N 429.517 2.868 0 40 IFAB COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 12777089 MIFUVYKBWHLCEO-YLJYHZDGSA-N 448.516 2.647 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccc(Br)o2)o1 13013173 VNPKOTMPSQAWSF-GOSISDBHSA-N 445.229 2.822 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1 13031771 ILGQVXBKJAVQIJ-KRWDZBQOSA-N 435.977 2.665 0 40 IFAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 13568384 JDSPCTPAMAXXMN-UHFFFAOYSA-N 433.555 2.547 0 40 IFAB CN(C)CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13691690 NMYPKDZFDBXMKX-UHFFFAOYSA-N 429.498 2.919 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15974991 NWANDGFJGLFONL-MLHJIOFPSA-N 428.275 2.994 0 40 IFAB Cc1nn(C)cc1[C@H]1Oc2ccc(O)cc2C2=C1[C@@H](c1cn(C)nc1C)n1ncnc1N2 17096860 BUSDNXYLHAFKSX-NHCUHLMSSA-N 430.472 2.627 0 40 IFAB COc1ccc([C@@H]2[C@H]3C(=O)OCCOC(=O)[C@@H]3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC 17142686 IZEJFMUSEYXSBD-CIAFKFPVSA-N 442.464 2.934 0 40 IFAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)cn1 19084773 LSBHINVUYROXJK-CQSZACIVSA-N 427.530 2.648 0 40 IFAB O=C(NCc1ccc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1)c1ccc(F)c(F)c1 19334641 SGTGZYVBLKUYHW-UHFFFAOYSA-N 426.423 2.757 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 19568238 RVHHERGHBZPNMY-JOCHJYFZSA-N 430.512 2.601 0 40 IFAB COc1cccc(C(=O)N2CCC(c3nc([C@@H]4CC(=O)N(C)C4)cc(N(C)C)n3)CC2)c1 19697486 CFIDOVCPUVNUIJ-GOSISDBHSA-N 437.544 2.517 0 40 IFAB COC(C)(C)C(=O)N1CCO[C@@H](c2c(C(=O)NCCN(C)C)sc3ccccc23)C1 19697712 GAWXFUUSEDHDAR-MRXNPFEDSA-N 433.574 2.518 0 40 IFAB CCc1nnsc1C(=O)N1CCC(c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)CC1 19739249 QQBRSWCPJPVRHH-UHFFFAOYSA-N 440.573 2.908 0 40 IFAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccccc2Cl)n(C)c1=O 20517527 XGTAYPGFBXEFIC-UHFFFAOYSA-N 449.942 2.694 0 40 IFAB CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cc(C)cc(C)c1 21713742 SSQJESMZDHDSAD-UHFFFAOYSA-N 431.496 2.683 0 40 IFAB CCC(CC)[C@@H](CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)N1CCOCC1 22898974 JFFFYUKDLOBOOP-HXUWFJFHSA-N 430.524 2.547 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CCOCC2)cc1 23107544 KVPOBPHQPOZIEW-FQEVSTJZSA-N 431.920 2.785 0 40 IFAB CC(C)Cn1nc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c2ccccc2c1=O 23845202 MEWAAOAQDGLNHK-QFIPXVFZSA-N 434.540 2.856 0 40 IFAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 24258405 QRINWHZYCPHUJA-UHFFFAOYSA-N 446.403 2.862 0 40 IFAB O=C(c1cccnc1N1CCOCC1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 29955638 NCRQEXJDNAPKPH-UHFFFAOYSA-N 435.450 2.685 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)n2N)c(OC)c1 32719419 AJBNWQCRFSVMQS-HNNXBMFYSA-N 441.557 2.906 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)N[C@]12C(=O)Nc1c(C)cccc12 35877661 BQDLWEHAVJYOKK-DLZCWGNESA-N 429.904 2.802 0 40 IFAB biogenic COc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1OC 36714344 YRMZRGZWBHWCTB-UHFFFAOYSA-N 431.533 2.847 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)C1 40120049 YRQOHYOZADKXLU-JKSUJKDBSA-N 426.435 2.856 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)cc1Cl 49400299 CHZZFDZWRGNKHD-KBPBESRZSA-N 444.923 2.674 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C[C@H]3CCCO3)cc2c1 57643404 LLBICNGUITZFRE-HXUWFJFHSA-N 448.527 2.954 0 40 IFAB CCCN1CCC(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 58162611 XEWYNQYWHJLPIH-SFHVURJKSA-N 427.636 2.695 0 40 IFAB O=C(CN1CCN(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)CC1)Nc1cccc(F)c1 58171335 QIKXDBBQQVHBED-MDZDMXLPSA-N 447.514 2.867 0 40 IFAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccc1 61720572 BHMPBXKOMIYDDW-UHFFFAOYSA-N 437.931 2.540 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1 61942934 ZSEGZJLUJNPPPJ-UGCAPWQASA-N 429.476 2.629 0 40 IFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1Cl 72289517 MDQAGVIRVRKKJF-RWMBFGLXSA-N 436.405 2.998 0 40 IFAB Cc1ccc(C(=O)N2CCC(c3nc(N4CCCCC4)ncc3S(C)(=O)=O)CC2)o1 72337665 WFZPSADILOGKQD-UHFFFAOYSA-N 432.546 2.792 0 40 IFAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(CCc2ccncc2)CC1 79478160 QKTRWVSAFFSGKG-UHFFFAOYSA-N 435.524 2.825 0 40 IFAB COC(=O)c1nc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)sc1CC(C)C 85879475 CDNWLHZDUDAXAM-AWEZNQCLSA-N 444.513 2.598 0 40 IFAB biogenic CC(=O)c1ccc(N2CCN(C(=O)COC(=O)C(C)(C)c3cccnc3)CC2)c(F)c1 95454623 JMLGEWUNXLGDIC-UHFFFAOYSA-N 427.476 2.593 0 40 IFAB Cc1ccc(C(=O)NC[C@H]2CC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)CC2)c(=O)n1C 100223551 UVSOYWXZXFXSLO-JTDSTZFVSA-N 442.585 2.954 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc3ccccc3c2)sc2cc(S(N)(=O)=O)ccc21 100873013 YRAFEKUBFSWGOX-LNVKXUELSA-N 441.534 2.891 0 40 IFAB COCCN1Cc2c(C(=O)Nc3ccccc3C)ncn2-c2ccccc2S1(=O)=O 107186729 JRMVEIKNZRYAGY-UHFFFAOYSA-N 426.498 2.584 0 40 IFAB O=C(c1ccccc1Nc1ccccc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 206871729 QTRDEZXMGREIDX-UHFFFAOYSA-N 426.484 2.763 0 40 IFAB COc1cccc(N([C@H](C)C(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 220187156 MKXATFFJHPBCCX-GOSISDBHSA-N 445.585 2.809 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)sc2c1CCCC2 222610990 NNTCFCNKHLVVCL-CYBMUJFWSA-N 428.576 2.804 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 223173049 XKPIDEDKUFHSEO-DHIUTWEWSA-N 448.596 2.962 0 40 IFAB CCc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 224346007 XDXNNDYDQQBSKF-UHFFFAOYSA-N 430.570 2.986 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1C 225533080 ZXBCYQXHPPNEOL-OAHLLOKOSA-N 434.489 2.960 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)N3CCC(n4c(=O)[nH]c5ccccc5c4=O)CC3)c2O1 225758508 DIWMFSFPTUABRQ-UHFFFAOYSA-N 449.507 2.646 0 40 IFAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 257258770 KVLUHMCDAFWZEW-KZNAEPCWSA-N 446.573 2.882 0 40 IFAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4c(C)cc(C)nc4=O)C3)o2)c1 257297047 RFOOWZOEXOZMOA-IBGZPJMESA-N 436.512 2.854 0 40 IFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 260449409 QQFKUUWOHRISFQ-KSZLIROESA-N 427.636 2.633 0 40 IFAB CCC(=O)N1CC[C@@]2(C1)CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1O2 306137680 RDBDKHNOQAJULO-JOCHJYFZSA-N 430.526 2.660 0 40 IFAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccccc1 306142555 XCXKLHHFPLUQKK-RTBURBONSA-N 427.551 2.979 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1OC 408550540 DGSPXFHIMVOWIZ-KRWDZBQOSA-N 446.525 2.946 0 40 IFAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)cc1 408686921 NVDOCSZKEJFKRV-UHFFFAOYSA-N 437.433 2.695 0 40 IFAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(I)c1O 409032527 CKCZIYSFOJSANA-XFFZJAGNSA-N 432.283 2.815 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3NS(C)(=O)=O)cc2)co1 536906475 SZXVAOLLVROERD-UHFFFAOYSA-N 425.463 2.961 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1 2975445 ADZFDKVJIVVHHE-HNNXBMFYSA-N 439.493 2.745 0 40 IFAB O=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007711 BHOUVFGUROKCDN-UHFFFAOYSA-N 439.899 2.653 0 40 IFAB C[C@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)CCC2 7932964 SCURLQHUZMRLIL-HNNXBMFYSA-N 427.501 2.690 0 40 IFAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)NC3(CCC(C)CC3)C1=O)O[C@H](C)C2 8273280 QPSRWHUZSLSUPG-UVOCGCJZSA-N 429.517 2.526 0 40 IFAB Cc1oc2cc3oc(=O)c(CC(=O)NCCNC(=O)c4ccncc4)c(C)c3cc2c1C 8764836 YOIXBWLDEDGOJS-UHFFFAOYSA-N 433.464 2.948 0 40 IFAB biogenic COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccc(C)cc12 8876787 YSPQCOHYEDVYBI-ATCYZTLESA-N 429.904 2.802 0 40 IFAB biogenic COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 9111618 PXOJRMWENHOWNJ-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 9126075 ZUTVAUCJHREUNY-QGZVFWFLSA-N 426.546 2.687 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 9128803 GOAWHZUXOLKFSG-SFHVURJKSA-N 440.496 2.625 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)Cn2c(C)csc2=O)sc2c1CCCCC2 9255085 MDIYQWARGNCTME-UHFFFAOYSA-N 438.527 2.517 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1 9306301 WHZCKVKFAGPDLS-GOSISDBHSA-N 443.525 2.887 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)N1CCCCCC1 9579389 ADQJEWXJAQVAKY-UHFFFAOYSA-N 433.574 2.617 0 40 IFAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)[C@@H]1COc2ccccc2O1 9639198 TWWFDBKIZNJPJN-AWEZNQCLSA-N 435.454 2.567 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1S(=O)(=O)NC1CC1 9745268 WFBOYMGKOMIXDT-UHFFFAOYSA-N 429.498 2.515 0 40 IFAB O=C(N[C@H](c1ccccc1)c1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9782485 DUENTHFPTNOKEI-OAQYLSRUSA-N 426.494 2.820 0 40 IFAB O=C(COc1ccccc1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 9993647 NXPAWZSHJSIIPA-VQTJNVASSA-N 429.538 2.927 0 40 IFAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 10295512 QUEXYFBMOCMKFY-IBGZPJMESA-N 433.428 2.556 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1 10295941 DYMKBVOEDJCSPN-HXUWFJFHSA-N 447.455 2.946 0 40 IFAB COc1cccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)c1 10756671 IHBBSRIWNFIVAH-AWEZNQCLSA-N 448.526 2.846 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 11795884 FSWLSRQGSSJANM-OAHLLOKOSA-N 435.527 2.920 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12435342 YLNZKVMRKCTLLR-UHFFFAOYSA-N 429.498 2.545 0 40 IFAB CCN(Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 12558104 UXWUANYQLJVEFD-SFHVURJKSA-N 429.571 2.932 0 40 IFAB CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 12568351 PPRRLQOQRHGKKG-RCZVLFRGSA-N 449.507 2.665 0 40 IFAB CCOC(=O)[C@@]1(C)N[C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 12635636 GOVUQBBUCNXHLN-FSBGXSNOSA-N 428.510 2.837 0 40 IFAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12770384 JKSCVIWFFKYLLD-PBHICJAKSA-N 426.498 2.843 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)ccc1Cl 12773810 CDFKPPIWWUKCFC-UHFFFAOYSA-N 449.916 2.849 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 12788814 XYUVLOFRQKPPJV-VQTJNVASSA-N 429.586 2.957 0 40 IFAB CCCCN(C(=O)CN[C@@H](C)c1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13038395 CRRLBPZTBLNRQB-HNNXBMFYSA-N 449.983 2.912 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c(Cl)cccc23)c1 13591963 JKEKAYBVKOGFEB-UJXQBMMGSA-N 445.903 2.502 0 40 IFAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 14000260 SJLNDOZZKWEACK-WWKNUYBVSA-N 425.529 2.649 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2ccc(Cl)cc23)c1 15972121 WWVKMMNZJNDWBR-BNFUDPRMSA-N 445.903 2.502 0 40 IFAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(I)c1 16481560 VOHMVGGOELMYFK-UHFFFAOYSA-N 437.281 2.758 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H](C)NC(=O)c3ccccc3)CC2)c1C 17603095 HPKBFUFJFQANII-LJQANCHMSA-N 436.556 2.595 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)CC1 19085335 YLUQPSXEDUBQQX-LJQANCHMSA-N 437.544 2.959 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(C(=O)COc3ccccc3)C2)n1 19694720 PQOJPQAQDBEITL-IBGZPJMESA-N 445.523 2.703 0 40 IFAB Nc1nc(C2CCN(C(=O)c3cnccn3)CC2)ccc1C(=O)NCc1ccccc1F 19765893 TYIVCHJAYGTGGP-UHFFFAOYSA-N 434.475 2.543 0 40 IFAB Nc1nc(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)ccc1C(=O)NC1CCCC1 19765897 NHZXNHLPLMRXRN-UHFFFAOYSA-N 436.560 2.958 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)s1 19767366 UGAUXMQZWYBGOP-GOSISDBHSA-N 427.574 2.562 0 40 IFAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 21351886 VSHKUWUUGVYCQF-QGZVFWFLSA-N 441.509 2.978 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229981 MKOFMPRKVKVQCR-IBGZPJMESA-N 446.525 2.972 0 40 IFAB CNC(=O)NC(=O)[C@H](OC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)c1ccccc1 23485299 VSCKWKYVJALGIT-FZKQIMNGSA-N 447.488 2.626 0 40 IFAB O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)nc1)N1CCCCC1 23845688 RJWZKSKUAWNQHE-UHFFFAOYSA-N 442.585 2.513 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 24924951 NTFYKCRUNGWEBJ-UHFFFAOYSA-N 438.575 2.523 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)NCCc1ccccc1 24983890 GSYXCFXUJYSPTL-UHFFFAOYSA-N 441.413 2.960 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)c1 24995147 QJSGOAZTONYWOI-UHFFFAOYSA-N 426.469 2.692 0 40 IFAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 29959361 YIZPWNAHGWUXMC-CQSZACIVSA-N 438.431 2.599 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccccc1F 30867202 ZFNKQJKOWRRUGM-UHFFFAOYSA-N 443.541 2.627 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1cccc(N2CCCC2=O)c1 32856051 ZAGXJJWCLFHOLL-RUZDIDTESA-N 446.507 2.926 0 40 IFAB CC(C)C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 35736487 ZCHUQDGMAGXSQB-BDXSIMOUSA-N 444.532 2.700 0 40 IFAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)O)c(C)c1 48302867 CHIWTJCDKSINJY-UHFFFAOYSA-N 432.907 2.909 0 40 IFAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 58203080 XXJGSXQBWQYVSI-AEFFLSMTSA-N 437.606 2.711 0 40 IFAB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CCN(C2CCCCCC2)C1 58230639 QZVQJJPWXURJGL-KRWDZBQOSA-N 427.998 2.922 0 40 IFAB COC(=O)C1CCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(F)cc2)CC1 58249338 SVXYXJUQLHCWLH-UHFFFAOYSA-N 426.491 2.713 0 40 IFAB CS(=O)(=O)/N=C(\O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 62696011 IDFFKHDTBMCWRG-UHFFFAOYSA-N 448.872 2.676 0 40 IFAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)NCc3ccc(F)cc3)c(=O)c2s1 67225755 LPNKQICALWSNSH-UHFFFAOYSA-N 437.500 2.945 0 40 IFAB Cc1cc(CN2CCOCC2)oc1C(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 72348215 MMRFFKLNBLJMSC-UHFFFAOYSA-N 448.523 2.826 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2cc3c(OC)cc(OC)cc3n2C)cc1 94992915 FZPKXZDWACNADS-CQSZACIVSA-N 425.485 2.639 0 40 IFAB COC(=O)c1csc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C 95464151 IWYSPCDOKSUKFJ-UHFFFAOYSA-N 436.433 2.779 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccccc1C 96521141 QPKKDMRXXNLTRS-MNOVXSKESA-N 433.105 2.947 0 40 IFAB Cc1ccc(CN(CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 223357056 SWFGMYSUTCTFSN-UHFFFAOYSA-N 442.541 2.774 0 40 IFAB COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)CC1 224139448 NOSRHGSRRUVZDK-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)c(F)c1 225102732 IAYOOYOYKITGNF-UHFFFAOYSA-N 432.267 2.965 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 225259348 XHWDHTNUOYAWBZ-OAQYLSRUSA-N 442.541 2.742 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 229678294 BNQWFBYQJUWALC-NMLBUPMWSA-N 435.867 2.946 0 40 IFAB Cc1ccccc1NC(=O)[C@H]1[C@@H]2C(=O)N(CC(C)C)[C@H](C(=O)NC(C)(C)C)[C@@]23C=C[C@H]1O3 245230478 SMHKVONVNIZTLM-PPYVPILRSA-N 439.556 2.655 0 40 IFAB c1cc(N2CCOCC2)n2cc([C@@H]3CN(Cc4nccs4)CCN3CC3CC3)nc2c1 306123486 AORHTJPPBILYFM-FQEVSTJZSA-N 438.601 2.896 0 40 IFAB COc1ccc(-c2cccc3nc([C@@H]4CN(C(=O)c5cnccn5)CCN4C)cn23)cc1 306134284 NHPAZBKNHDIHSW-QFIPXVFZSA-N 428.496 2.929 0 40 IFAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCC(=O)N3CCCCC3)cc2)N2NC=NC2=N1 334161238 XAXJKLNIIGOAQC-NRFANRHFSA-N 439.516 2.563 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)CC1 408606315 OVFAMGNKANNAHX-UHFFFAOYSA-N 443.569 2.751 0 40 IFAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)C1 408615630 RJHAZNVQFCTOIO-GOSISDBHSA-N 439.512 2.518 0 40 IFAB COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 408626593 ZSZOIKHTINSTQU-UHFFFAOYSA-N 427.320 2.858 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 408655703 LUJLKVULJGCZFV-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408662868 NYGPFZSIXUGCRB-ZYNNUQKQSA-N 446.459 2.802 0 40 IFAB CCOC(=O)C1CCN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 408704778 STMJLJKDOVTEJM-UHFFFAOYSA-N 430.526 2.930 0 40 IFAB CCOc1c(I)cc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC 409038192 OUTNMTWVMPCFHB-XFFZJAGNSA-N 432.283 2.728 0 40 IFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 409227139 PHDXKZFQZACUOU-LICLKQGHSA-N 439.468 2.806 0 40 IFAB COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 409234017 XSXWTGXLYYRTKS-MDWZMJQESA-N 430.276 2.985 0 40 IFAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)c2cc3c(nc2O)CCCC3=O)CC1 509418427 HRDVECWYJJJFBD-OAHLLOKOSA-N 447.495 2.875 0 40 IFAB C[C@H](Oc1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cn1)c1ccccc1 522690969 DORCILZMUKRZOT-KRWDZBQOSA-N 435.484 2.529 0 40 IFAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc([C@]5(C)NC(=O)NC5=O)c4)C3)[nH]c2c1 532650471 OOXCBNDNESSIEL-FYSMJZIKSA-N 431.496 2.946 0 40 IFAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 536371091 MVPBFWALXPKRCT-OAHLLOKOSA-N 445.520 2.936 0 40 IFAB CC(C)c1nn2c(=O)cc(CSCC(=O)Nc3c4c(nn3C)CSC4)nc2s1 604418986 CHJLQAIEBXQSIC-UHFFFAOYSA-N 436.588 2.627 0 40 IFAB O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)N1 1669117866 YAZBDFQDZQDMIC-CZUORRHYSA-N 439.390 2.642 0 40 IFAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775973554 NSAFZKHYQYUPSV-UHFFFAOYSA-N 445.401 2.958 0 40 IFAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1C[C@@H]2CN(c3ccc(C4CC4)nn3)C[C@H]2C1 1888879427 RNTCBAWSVARARM-GJZGRUSLSA-N 448.495 2.559 0 40 IFAB CC(C)n1cnc(S(=O)(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)c1 1889184594 LRIQITLNDFIPER-UKRRQHHQSA-N 429.468 2.777 0 40 IFAB CN(C(=O)[C@H]1C[C@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2)c1cccc(F)c1 2056225885 DWDLPANZUPSIPM-DNVCBOLYSA-N 440.397 2.662 0 40 IFAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)Nc1ccccc1C(F)(F)F 878402 BCZXYQIBJIAFOR-UHFFFAOYSA-N 432.406 2.834 0 40 IFAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)C1 1334594 RPPJAQDXJZAFCI-GOSISDBHSA-N 446.486 2.651 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 2391479 FOZWJHMEPVDZFK-GOSISDBHSA-N 431.533 2.575 0 40 IFAB Cc1cccc(OCCCC(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 9125059 BOMRLKRQNWIXMH-LJQANCHMSA-N 433.574 2.986 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)CC1 9190936 WCPPLTSIXDVQGM-KRWDZBQOSA-N 433.574 2.837 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCC2)cc1 9491840 LAZQTUPTICGIOO-OAQYLSRUSA-N 431.558 2.512 0 40 IFAB Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9747147 XPWBVNAQIUBKTJ-INIZCTEOSA-N 435.571 2.745 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccc(C)cc5)c(=O)n(C)c4nc23)cc1 9829390 CXKPSJJLULPIMW-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB COC(=O)c1ccc([C@H]2NC(=O)N(CCC(C)C)C(C)=C2C(=O)N2CCOCC2)cc1 10027041 UOXMQLDWHRQEFL-HXUWFJFHSA-N 429.517 2.718 0 40 IFAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)n1 12123875 YXUJSDWMNRDLCG-UHFFFAOYSA-N 435.484 2.872 0 40 IFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 12567835 QVSALOQOBZKRSJ-XNTDXEJSSA-N 428.489 2.994 0 40 IFAB CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)cc1 12711973 SESOGVISVMROGD-UHFFFAOYSA-N 429.531 2.687 0 40 IFAB CN(C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCCC1 12750056 ZDHHYWBDIWYEFN-UHFFFAOYSA-N 425.570 2.607 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CN(C)C)c3ccccc3)CC2)cc1 12920807 WLPQWJYMGSDWJO-JOCHJYFZSA-N 429.586 2.815 0 40 IFAB COc1ccc(CN[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12932759 QBQWLJSBSYVPKU-QGZVFWFLSA-N 431.558 2.987 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)cc1 13063560 OGJIQGUTGPQZIB-UHFFFAOYSA-N 429.571 2.880 0 40 IFAB CCn1c(CN[C@@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 13141431 VKNXGTGMRRYNCE-KRWDZBQOSA-N 428.558 2.928 0 40 IFAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13148741 GOOJHQHBEAOMDE-MDZDMXLPSA-N 431.514 2.982 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)cc2c1 13570769 WPNVCAUUWHEOKE-LJQANCHMSA-N 428.510 2.907 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16022077 XFGCKMHBTHYXGS-DWXBWDGESA-N 447.535 2.771 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnnn2Cc2ccc(OC)cc2)c1C 16369074 CADHAHBZNMONTM-ZDUSSCGKSA-N 429.502 2.825 0 40 IFAB O=C(NCCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 17114123 SAUAYCQDHVJGGF-UHFFFAOYSA-N 441.912 2.574 0 40 IFAB CCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527341 JCHHQGBCOQSDLM-FQEVSTJZSA-N 435.503 2.634 0 40 IFAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(C(N)=O)cc1 19689788 GMQSUSSKSJWOJV-FQEVSTJZSA-N 448.527 2.820 0 40 IFAB C[C@H]1CCCN(CC(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)C1 19756464 VIJHPQNKTSARFB-INIZCTEOSA-N 444.605 2.642 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3snnc3C)C2)ncc1C(=O)NCc1ccccc1 19763559 TXSYKEMJJAVBPS-QGZVFWFLSA-N 436.541 2.895 0 40 IFAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(C2CCCCC2)CC1 20358526 LGWKUIYXXYLSPN-UHFFFAOYSA-N 428.533 2.852 0 40 IFAB COc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1N1CCCC1=O 20461176 GAQYAYBELIWIDQ-UHFFFAOYSA-N 429.542 2.553 0 40 IFAB CCOC(=O)C1=C(CNCc2ccccc2F)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 20518231 QZFLRQOUMVQHIF-FQEVSTJZSA-N 427.432 2.515 0 40 IFAB COc1ccc(C(=O)CSc2nnc(SCC(N)=O)s2)cc1Br 21367528 YMJXGIOVSYZKJS-UHFFFAOYSA-N 434.362 2.862 0 40 IFAB COc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)CC(C)(C)O2 22362712 DZSRKSDVBIUTKX-QGZVFWFLSA-N 448.541 2.888 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 22804764 KWBABXXDEOQKGP-UHFFFAOYSA-N 428.964 2.775 0 40 IFAB CCOC(=O)CSc1nnc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)s1 22961875 MEZFCZGZGJJCQQ-CYBMUJFWSA-N 436.515 2.563 0 40 IFAB Cc1cccc(Oc2ccc(NC(=O)CN3CCN(C(=O)N4CCOCC4)CC3)cc2)c1 23669639 OGUAOOZMXJFKEE-UHFFFAOYSA-N 438.528 2.796 0 40 IFAB COc1ccc(-n2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2C(F)(F)F)nn1 24050043 VOPQYIUJAGJTRJ-UHFFFAOYSA-N 448.405 2.779 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 24609307 RDPQKVKKXXQTMX-UHFFFAOYSA-N 430.570 2.904 0 40 IFAB biogenic O=c1c(Cl)c(NCCCN2CCOCC2)cnn1CCOc1ccc(Cl)cc1 32837480 ZSULXGNHZCLLEN-UHFFFAOYSA-N 427.332 2.763 0 40 IFAB CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCCCC1 36447635 HGANDQYDNCNQPG-UHFFFAOYSA-N 425.570 2.702 0 40 IFAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccccn2)CC1 36690318 BOZALBIGZPGGPZ-UHFFFAOYSA-N 431.539 2.984 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 38565402 SKVBSOAZLNQDKE-MRXNPFEDSA-N 444.531 2.986 0 40 IFAB CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC(C)C)C1 40121297 BACVVMRGDHHJHW-UYAOXDASSA-N 429.561 2.701 0 40 IFAB Cc1nccn1-c1cc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccn1 48314795 NATOFZIYOPPXMH-UFYCRDLUSA-N 435.528 2.558 0 40 IFAB COc1cccc(Oc2nccn3c(=O)n(CC(=O)NCc4ccccc4Cl)nc23)c1 49008512 WWPXFBWXUKTJGT-UHFFFAOYSA-N 439.859 2.662 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2C)CC1 57948782 ZWZRGNJXHNNYFT-UHFFFAOYSA-N 435.616 2.893 0 40 IFAB CCOC(=O)c1cc2cc(NC(=O)NCCCn3nc4n(c3=O)CCCC4)ccc2s1 58158757 MLDFCNJOPJISFN-UHFFFAOYSA-N 443.529 2.984 0 40 IFAB O=C(NCCOc1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 59581667 JUWUSCWILXINIO-UHFFFAOYSA-N 440.521 2.670 0 40 IFAB COc1cc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)cc(OC)c1 64945636 JERHQVVFQPAURH-UHFFFAOYSA-N 439.497 2.640 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 64988502 NFBWMCLKESVUAY-LJQANCHMSA-N 432.498 2.728 0 40 IFAB COc1ccc(CC(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3CC(C)C)cc2)cc1 67896644 MQZZIFHCZMMAPA-ZJSXRUAMSA-N 426.513 2.793 0 40 IFAB biogenic,in-vitro Cn1ccnc1C[C@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 84331586 IBPYUSMTJVRHOF-RTWAWAEBSA-N 434.496 2.627 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)Cn1cc(I)cc(C)c1=O 89984896 LRVVJQDFQCMWLF-UHFFFAOYSA-N 446.266 2.638 0 40 IFAB CC/C(C)=N\OC(=O)[C@@H]1[C@@]2(C#N)C(N)=NC(O/N=C(\C)CC)(O/N=C(\C)CC)[C@@]12C#N 102442895 OBIYNLZSQMYIHU-DPWQEOJRSA-N 429.481 2.595 0 40 IFAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)N[C@H](c2ccccc2)c2cccs2)CC1 103299380 QEZSEJXFPFGLBH-HSZRJFAPSA-N 442.629 2.876 0 40 IFAB [O-][n+]1ccccc1S[Sn](Cl)(Cl)Sc1cccc[n+]1[O-] 195824354 NWWVFNJSWQQADV-UHFFFAOYSA-J 441.937 2.751 0 40 IFAB CC(C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 195999420 FLCBHLWHAWXPOA-UHFFFAOYSA-M 437.127 2.853 0 40 IFAB COc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc(OC)c1OC 219283591 DNZPNZRYPSNWBQ-UHFFFAOYSA-N 428.894 2.667 0 40 IFAB COc1cccc(NC(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)c1 220053659 AEXOJGQEQCCYBE-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 220350071 SKIOZRYKKYDFNF-OAHLLOKOSA-N 444.513 2.525 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220443751 SWTWTTBRYNQYGC-GFCCVEGCSA-N 426.441 2.935 0 40 IFAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)n2)c1 222486903 VUGUGUCFZYUVOO-UHFFFAOYSA-N 444.513 2.722 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 224172432 FYNXPBHAKQVZEK-IBGZPJMESA-N 448.541 2.888 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(Cl)c(C(=O)OC)c2)cc1 224603839 MJZGAPZUBDMAOT-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB C[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225060899 VOEAVUFVWBCBBQ-SNVBAGLBSA-N 441.481 2.671 0 40 IFAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(Cl)cc1)S(C)(=O)=O 225262321 UYTMBLQCBHLDPB-SJORKVTESA-N 438.933 2.841 0 40 IFAB CCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 225496786 WZMGWXUJWADEKX-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 225697184 AVYSEQHZZXDGBT-UHFFFAOYSA-N 434.905 2.669 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1F 257203005 AOFZUTYYYNYKIP-KRWDZBQOSA-N 438.507 2.960 0 40 IFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1OC 408535836 XCULDEHJTROJMN-UHFFFAOYSA-N 434.514 2.814 0 40 IFAB COc1cc(OC)cc(C2(F)CCN(C(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)CC2)c1 549030779 NAKAYZADZQCLAK-UHFFFAOYSA-N 440.475 2.689 0 40 IFAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCCc2ccncc2)CCO1 585287459 XFYSOSVGHURHQO-QFIPXVFZSA-N 431.920 2.610 0 40 IFAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)n1 1889147597 OKRBGQRJEZGEPK-UHFFFAOYSA-N 437.466 2.842 0 40 IFAB COC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)COC(C)(C)C3 2212244 VNILHJOUWAXVOG-UHFFFAOYSA-N 434.901 2.892 0 40 IFAB COc1ccccc1/C=C/C=c1/sc2nc(=O)c(Cc3ccccc3Cl)nn2c1=O 2260053 BWOPVGDPTXLRNR-YKIVCEQRSA-N 437.908 2.977 0 40 IFAB CCOc1cc2c(cc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)O[C@@H](C)C2 9220438 CFIYMDUXYCQLAF-NSHDSACASA-N 437.418 2.993 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C 9264093 XTCOAYRPUVTLNH-GFCCVEGCSA-N 446.558 2.638 0 40 IFAB CCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccccc3)C(=O)/C=C/C(=O)O)C2=O)cc1 9318143 LZIBDTOGLJLHGJ-DRUFCSCSSA-N 436.464 2.777 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(F)cc2)N2N=CC=C[C@H]32)cc1 9453736 MNXUUXAJHDZGSX-NCYKPQTJSA-N 431.423 2.625 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 9610007 JPUAHEVIKZFXKO-RUZDIDTESA-N 431.492 2.952 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@H]1C 9632555 RXRYRPFYOSLBSI-HLIPFELVSA-N 436.574 2.959 0 40 IFAB COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 9708134 NYVKKJXKVUBGIO-QFIPXVFZSA-N 433.508 2.867 0 40 IFAB C[C@H](C(=O)N1CCCC1)n1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 9727194 RURKIQKVFQENMN-QGZVFWFLSA-N 435.528 2.707 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ncn(-c3ccccc3)n2)c1 11474984 MANYMTHZMOIMIN-UHFFFAOYSA-N 426.454 2.571 0 40 IFAB CCOc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCCC2)cc1 11999593 ZIHPQXYMCLQXHK-FQEVSTJZSA-N 432.542 2.972 0 40 IFAB NC(=O)c1nc(-c2ccc(Br)cc2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 12080826 RGPIBLOTDKBXJP-UHFFFAOYSA-N 428.221 2.776 0 40 IFAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1c(-n2cnnn2)sc2c1CCCC2 12182715 SSYUZKZBQZDAKF-OAHLLOKOSA-N 449.540 2.521 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CCCOC)CC(=O)Nc2ccc(OC)cc2)cc1 12548760 PBBPLTJGAUMAME-UHFFFAOYSA-N 436.530 2.760 0 40 IFAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCN(c2ccccc2F)CC1 12632097 HGBAHPBHOAFZSY-UHFFFAOYSA-N 445.296 2.591 0 40 IFAB Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 12851882 OYRCTMKZOPEGNE-UHFFFAOYSA-N 437.949 2.743 0 40 IFAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CCNC1=NS(=O)(=O)c2ccccc21 13899406 YOUWTESXHCRIJV-PTNGSMBKSA-N 431.470 2.601 0 40 IFAB Cc1c(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCC3 14234931 ACWGHKVQDSYEFU-CQSZACIVSA-N 425.510 2.917 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(F)cc2Cl)cc1 14239919 WFCINSYFLZQWOI-UHFFFAOYSA-N 428.869 2.849 0 40 IFAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 14242838 UCNPYFGLLLNOFJ-FQEVSTJZSA-N 428.510 2.648 0 40 IFAB CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n21 18173760 IMGSSVNZFGBASN-FNGUVFISSA-N 449.532 2.592 0 40 IFAB Cc1cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCC(C)C)ccc1I 18193989 HGPAQNYSHOEDER-ZFWWWQNUSA-N 446.285 2.766 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 20013947 ZUIGYPQAZMVUHU-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB COc1ccccc1-n1c(SCC(=O)N2CCNC2=O)nc2cc(Cl)ccc2c1=O 21135617 QGUMEHMXVOTWPY-UHFFFAOYSA-N 444.900 2.692 0 40 IFAB O=C(CSCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134333 DIKFFHRGKZPBKK-UHFFFAOYSA-N 442.976 2.893 0 40 IFAB C[C@H](OC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 25644611 RBIHVHRTASYOFE-HNNXBMFYSA-N 427.482 2.601 0 40 IFAB O=c1nc2s/c(=C/c3cccc(Br)c3)c(=O)n2nc1Cc1ccc(F)cc1 26533996 ODPBZUBOXWEEQX-MHWRWJLKSA-N 444.285 2.551 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32946787 CNAXKQARJQQOSU-UHFFFAOYSA-N 440.934 2.614 0 40 IFAB CCNC(=O)C1CCN(c2cc(SCC(=O)NCc3ccc(C)cc3)ncn2)CC1 33312131 IRNFAWSFKRPAEJ-UHFFFAOYSA-N 427.574 2.546 0 40 IFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 33616325 SEFSTVVOCPVGPI-BOPFTXTBSA-N 432.498 2.533 0 40 IFAB C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2c(F)cccc2Cl)C[C@H](C)O1 35590445 YWVVOSOOEFJZIF-STQMWFEESA-N 432.887 2.662 0 40 IFAB COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2cccc(C(=O)O)c2)cc1OC 35685342 FEYAYRNOSGITBX-MRXNPFEDSA-N 436.424 2.788 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)=C2)c1 35828510 GJCPIFYGHCLPKC-OPAMFIHVSA-N 431.558 2.986 0 40 IFAB COc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(SC)cc5)no4)cnc32)cc1 44166602 JEJSSFMMQTUVJX-UHFFFAOYSA-N 447.480 2.806 0 40 IFAB COCCNC(=O)c1nnn(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)n1 71002651 UXNGOTKGFOKUFJ-UHFFFAOYSA-N 449.393 2.701 0 40 IFAB Cn1c(=O)n(C)c2cc(CN3CCC(c4cc(O)nc(-c5ccncc5)n4)CC3)ccc21 72392734 FKTXHEQWDABZNP-UHFFFAOYSA-N 430.512 2.814 0 40 IFAB COc1cc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc(OC)c1OC 72393290 YUHBFSFLJRJGTC-UHFFFAOYSA-N 426.469 2.510 0 40 IFAB Cn1nc(N2CCC[C@@H](C(=O)Nc3c(-c4ccccc4)nc4ccccn34)C2)ccc1=O 77100982 HVUHVZMYBSXNII-GOSISDBHSA-N 428.496 2.950 0 40 IFAB COc1cccc2c1OC(=O)[C@H]1[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H]2[C@H]34)[C@@H]1C(=O)O 85396575 LETQKJKEXLWDSX-NYPIKIQDSA-N 431.491 2.553 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3cc(C)nc4oncc34)CC2)c(OC)c1OC 94993133 IMTZJVXMCCYVQK-UHFFFAOYSA-N 426.473 2.515 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 95466709 KZJDVWUYHPYXMO-ORAYPTAESA-N 436.890 2.789 0 40 IFAB COc1ccc2cnn(CC(=O)NCCn3ccc4c(Cl)cccc43)c(=O)c2c1OC 95474027 LDFVAEGZFYJSJX-UHFFFAOYSA-N 440.887 2.838 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1NCc1cccnc1 95987678 FMSMKQZDGAHKQY-UHFFFAOYSA-N 430.464 2.944 0 40 IFAB CC[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC)c(OC)c1 219671880 DTEDQSBRSWUMLX-INIZCTEOSA-N 432.498 2.506 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222935012 NDSDGXNCXYNGRS-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223061601 VFAFQQQWAQFEGG-DEOSSOPVSA-N 437.584 2.731 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)Nc1nnc(-c3ccccc3)s1)CN2S(C)(=O)=O 223344211 HWKUKVDAHFLEMS-INIZCTEOSA-N 430.511 2.679 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223521490 JMUUQMDUYKTYQD-LJQANCHMSA-N 445.585 2.623 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)ccc1OC 223785840 XPGCVAYRDAYMFV-UHFFFAOYSA-N 445.541 2.872 0 40 IFAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c(OC)c1 223872471 NVRXKLMZKWEADP-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB COc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224348097 QJUXRGDCRRUZJV-UHFFFAOYSA-N 432.542 2.608 0 40 IFAB COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225118589 RVFMDPHVJUSQOF-UHFFFAOYSA-N 447.868 2.873 0 40 IFAB O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1n[nH]c2ccccc12 257226882 FMPKZCULOUKFTB-JCYRPKCISA-N 448.567 2.866 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@H](Cc2cnc3ccccc3c2)C1 257244407 ILDXTCHQGHUKDX-HXUWFJFHSA-N 432.524 2.798 0 40 IFAB Cc1ccc(CN(CC(=O)NCCCN2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1 260764771 MGCGTTFFBRGAIF-LJQANCHMSA-N 429.586 2.714 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc3ccccc3c2)Oc2ccccc21 260939198 QSSLXPQRDVXAFE-JOCHJYFZSA-N 440.521 2.952 0 40 IFAB CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CCN(Cc1ccc(F)cc1)C2 306143708 YKBLLGMLTPPINK-QHCPKHFHSA-N 426.540 2.570 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 408662015 PDQMLVUZOFBQEJ-BGYRXZFFSA-N 434.448 2.946 0 40 IFAB COC[C@@H]1CC2(CCN(C(=O)c3ccc(F)c(Cl)c3F)CC2)CN1S(C)(=O)=O 585104051 ZONJTLIVZBJOHA-LBPRGKRZSA-N 436.908 2.521 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CC4CCCC4)C[C@@H]23)c1 585106048 HPEOWIBIKTVPRP-YADHBBJMSA-N 441.572 2.547 0 40 IFAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCCc2ccncc2)CCO1 585287458 XFYSOSVGHURHQO-JOCHJYFZSA-N 431.920 2.610 0 40 IFAB Cc1cc(Br)ccc1CNC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 601225041 BIYUMCFWBNGLHA-IBGZPJMESA-N 445.361 2.811 0 40 IFAB CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H](CN(C)C)[C@H](CN(C)C)C1 1151536724 XEAUACIEWIWGNT-ZGFBMJKBSA-N 428.665 2.979 0 40 IFAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4)C3)C2)c1 2056225491 OPQFAJWKQSCBQR-GGAORHGYSA-N 432.467 2.650 0 40 IFAB O=C(c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1)N1CCOCC1 959975 IISLLXFKVYYLQV-UHFFFAOYSA-N 425.872 2.590 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCC(=O)NC4CC4)o3)cc2)CC1 1330191 SFHRJRHYUZVFFP-UHFFFAOYSA-N 436.559 2.528 0 40 IFAB CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCO)CC(=O)N21 2111919 XBYFOTWCMIAKLK-RDPSFJRHSA-N 433.508 2.634 0 40 IFAB biogenic Cc1cc(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccc1Br 2658363 AQJSCOXPJUCONO-DYVFJYSZSA-N 427.320 2.693 0 40 IFAB Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccc(S(N)(=O)=O)cc4)c(C)c3cc12 8790258 OZZXACJSHLGVNR-UHFFFAOYSA-N 440.477 2.662 0 40 IFAB biogenic COC(=O)[C@H](NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(C)C 8879304 BHGDYHTZYCEXBL-JOCHJYFZSA-N 425.437 2.858 0 40 IFAB biogenic Cc1csc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)n1 9262420 GEQFJCQVYFBXGD-LLVKDONJSA-N 434.522 2.941 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 9302619 YPEQOEBOCSTMRV-PSFFPDNBSA-N 435.358 2.807 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 9569990 ABEDGXBRUNOCHZ-UHFFFAOYSA-N 441.528 2.861 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 9633761 XWLRWGBDKPVMLL-SFHVURJKSA-N 432.498 2.648 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)CCCC2 9797554 RAOQTKGGYDBALG-UHFFFAOYSA-N 430.526 2.847 0 40 IFAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)COc3cc(C)ccc3C)ccc21 10223686 DWNYITFDDUURFK-UHFFFAOYSA-N 431.510 2.821 0 40 IFAB CCN(Cc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430574 BEWMCSWVHJDVFL-UHFFFAOYSA-N 429.318 2.956 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1=O 11865990 PUINMVYWUHPRNM-LBPRGKRZSA-N 445.522 2.700 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NC3CCC(C)CC3)CC1)NC2=O 12086513 TVJMROGWNJMYBW-TVUPWTFMSA-N 426.561 2.943 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)n(N)c2=O)cc1 12347959 ZAHVXKRFXHITCN-UHFFFAOYSA-N 439.541 2.689 0 40 IFAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 12444293 NBXWJHCGNMJHQI-UHFFFAOYSA-N 443.442 2.923 0 40 IFAB Cc1nn([C@H](C)C(=O)NCc2cccs2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12907030 BWTWMJIIHPJTDF-OAHLLOKOSA-N 436.559 2.853 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1 13072543 ZRBOTTFBAJQZAU-UHFFFAOYSA-N 435.465 2.707 0 40 IFAB COC(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)OC 13131489 MUPDZOMHVVBOJC-IBGZPJMESA-N 429.904 2.898 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)NCCSCc2cccc(Cl)c2)ccc1OC 13682172 ORHYJEOFVCWRBL-UHFFFAOYSA-N 428.963 2.920 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 14120783 UTMPCFGAQUMELD-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1OC 15739119 SDGCEGUWEJUWJT-UHFFFAOYSA-N 432.542 2.769 0 40 IFAB O=C(CC1CCCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1 19014600 OSKAUOWRQOVWLX-UHFFFAOYSA-N 428.577 2.593 0 40 IFAB O=C(C1CCCCC1)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)nc2C1 19014710 NMPHDPHLWQKNGM-VQTJNVASSA-N 442.560 2.880 0 40 IFAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)Cn4cncn4)C3)c2)cc1 19212570 CYKGYBLSSZRADT-RUZDIDTESA-N 431.540 2.803 0 40 IFAB O=C1NC[C@H](C2CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)c2ccccc21 19374949 RZJNJOURBPKNAA-HXUWFJFHSA-N 431.496 2.830 0 40 IFAB CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C[C@H]3CC=CCC3)[nH]c(=O)c2C1 19524165 QWPHMSAXUAZNNC-PXNSSMCTSA-N 436.560 2.678 0 40 IFAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCCC3)C1)C2=O 19699757 OJRKXRZKBGUADB-IBGZPJMESA-N 446.592 2.661 0 40 IFAB Cc1cc(C)nc(N2CCO[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)n1 19702697 AXASMKATTCHGLC-KRWDZBQOSA-N 439.541 2.753 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CCc3nc4cc(Cl)ccc4n3C)C2)ncc1C(N)=O 19763699 NBMQWUFAKMCPHW-CQSZACIVSA-N 440.935 2.763 0 40 IFAB CC(C)OCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O 20719815 FWZQMVPQGTXQQW-UHFFFAOYSA-N 447.495 2.672 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)sc(C(=O)NC)c1C 26890039 RLKUTYVSEVRQCM-LBPRGKRZSA-N 447.488 2.724 0 40 IFAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 29756703 JJWKQZZKNDWQLQ-SFHVURJKSA-N 429.952 2.570 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@@H]1c1ccc(C)o1 31741098 GIHZXSITMGLTLA-GOSISDBHSA-N 442.859 2.823 0 40 IFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)C1 35586470 SAFNFZZGUOGAOJ-ZETCQYMHSA-N 425.319 2.715 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)c1 38755351 KPFGRNZXEUJGPT-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB COCc1cc(=O)n(CC(=O)Nc2ccc(Br)c(C)c2)c(N2CCCC2)n1 67257038 FKNVELFBBYGEEB-UHFFFAOYSA-N 435.322 2.700 0 40 IFAB CCCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)Nc2ccc(F)cc2)c1=O 67350254 MSEVWTXKKQCEQX-UHFFFAOYSA-N 439.472 2.870 0 40 IFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(OC)cc(OC)c3)c2C)cc1 71327263 OOZOOKVLKVDWEH-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB Cc1nccn1CCC(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325550 VQHKKLINOUBIDZ-QFIPXVFZSA-N 443.935 2.568 0 40 IFAB C[C@H](NC(=O)c1ccc(=O)n(CC(=O)N(C)c2ccccc2)c1)c1nc2ccccc2[nH]1 72344614 ADCMYUVFAKWPFY-INIZCTEOSA-N 429.480 2.879 0 40 IFAB O=C(C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)c2ccccc21)N1CCOCC1 96052855 NFCLKFQVPCFSSF-HXUWFJFHSA-N 426.557 2.710 0 40 IFAB COc1cccc(NC(=O)N2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)c1 96144761 PSUPELYXTHNYSF-IBGZPJMESA-N 441.532 2.586 0 40 IFAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 101068681 IHTKLVMKCOTJQU-XPOUIUQRSA-N 426.516 2.967 0 40 IFAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)cc1 102091579 IKBUZJDGSJVNQY-WJQMWINMSA-N 434.414 2.991 0 40 IFAB CCn1c(S)nc2cc(C(=O)N[C@H](c3ccccc3OC)c3nccn3C)ccc2c1=O 102200173 DPXQJQSIXHEUDY-LJQANCHMSA-N 449.536 2.967 0 40 IFAB COc1cccc([C@H](CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)N(C)C)c1 105531651 ALEWYHKOYUJCTI-QRQCRPRQSA-N 431.558 2.574 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 220330579 UEUBLPKJFIHZEU-SFHVURJKSA-N 431.558 2.507 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 223059550 DNIODHVKDRWQPT-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB COc1cccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(C)(=O)=O)c1 224814166 TVRJCVMIBVVTKI-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccc(OC)cc1)S(C)(=O)=O 225061579 VHPHGXBDTWGGOM-MRXNPFEDSA-N 449.554 2.792 0 40 IFAB COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OCCN(C)C)nc3)CO2)cc1OC 225918534 CTTZGLBHWFUYHE-UHFFFAOYSA-N 445.516 2.730 0 40 IFAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 226074537 DGJYTBPOCJICBL-UHFFFAOYSA-N 448.541 2.776 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC1)O2 248337809 QHKMHFQSFOUDOV-CLKDMPPASA-N 441.572 2.952 0 40 IFAB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cccn2C)c1 257301711 RZOSTKBDACVMBN-LJQANCHMSA-N 426.517 2.819 0 40 IFAB COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 306133230 MGBCMGLUDXOWNN-AHWVRZQESA-N 444.535 2.882 0 40 IFAB O=C(NCCCn1ccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408597768 YBEYANUYNFGPKZ-FQEVSTJZSA-N 426.542 2.644 0 40 IFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(OC(=O)c2cccs2)cc1 408656332 HPIPZTZYBPCXIH-BOPXGEFASA-N 426.446 2.891 0 40 IFAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1S(=O)(=O)N1CCCC1 408698484 QCYKTAZGVVYHON-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)NC[C@@H]1CCCO1 409199965 GBRWOUFCZYOEGP-IAOKNECISA-N 425.304 2.781 0 40 IFAB Cc1ccc(SC2(CNC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CCCC2)cc1 551504038 WKGDUVXDANYLJH-FQEVSTJZSA-N 446.661 2.516 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@]3(CCCN3CC(=O)N(C)C)CC2)c(OC)c1 585100092 FQGKOVOTVWUQEH-DEOSSOPVSA-N 431.577 2.572 0 40 IFAB CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)NC1CN(c2ccncn2)C1 1683581667 LLHRCEVNFOLBCQ-UHFFFAOYSA-N 433.512 2.965 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775969732 IOMZAMZTUGLKND-AWEZNQCLSA-N 444.326 2.999 0 40 IFAB CC1(C)O[C@H]2[C@@H](COC(=O)c3ccccc3)OCO[C@H](COC(=O)c3ccccc3)[C@H]2O1 642043 PWLCYBVEONJDMJ-NCYKPQTJSA-N 442.464 2.962 0 40 IFAB CC(C)n1c(=O)c2c3c(sc2n(CC(=O)NCc2ccccc2)c1=O)COC(C)(C)C3 8769921 BIRVHAYXPCEBKI-UHFFFAOYSA-N 441.553 2.973 0 40 IFAB CCN(C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C1=CCCCC1 9170255 GDULLRXVJVJXFW-UHFFFAOYSA-N 445.589 2.723 0 40 IFAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(F)cc1 9666000 GGWYXPYYSGBGBW-UHFFFAOYSA-N 441.864 2.540 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 9828658 GYBNQVDCXGDMTD-UHFFFAOYSA-N 447.494 2.862 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccc(OCC)cc1 9969261 KVCNAGMPDZBJBN-FQEVSTJZSA-N 444.509 2.730 0 40 IFAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 12229771 RYIPDOCBKSHNRE-UHFFFAOYSA-N 443.573 2.650 0 40 IFAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 12497627 FRNWPTRXNLTCSJ-YWNPBTLJSA-N 426.469 2.840 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)NC1CCCCC1 12887150 XTTHMFBOEZYGMX-UHFFFAOYSA-N 434.389 2.749 0 40 IFAB C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)NCc1ccccc1Cl 12894513 NLNJIOJVMJSSQC-AWEZNQCLSA-N 436.917 2.742 0 40 IFAB O=C(CNC(=O)Cc1cccc2ccccc12)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 13138043 QJKNQGMWXOEKOU-DEOSSOPVSA-N 449.526 2.827 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1S(=O)(=O)N1CCCCC1 13149488 ZJVANEDVLSPFSZ-UHFFFAOYSA-N 432.498 2.671 0 40 IFAB O=C(CN(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1)NCc1ccco1 13501990 OKYWSTADRKOUNP-UHFFFAOYSA-N 432.527 2.862 0 40 IFAB CC1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14141774 VKUPANNQNQRMHP-HXUWFJFHSA-N 444.553 2.606 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 14235338 NBQLVSLQOGTUOW-IAGOWNOFSA-N 437.587 2.695 0 40 IFAB Cc1ccc(CN(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 14414125 ZMQLNOKNEMNGLS-UHFFFAOYSA-N 443.613 2.885 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 16103206 DCZOQJFKSYAJMB-UHFFFAOYSA-N 430.574 2.729 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C 18668174 CJBLKADRYPFCAN-ZIAGYGMSSA-N 432.571 2.946 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccc(O)nn2)C1 19449368 RSWNSEVWBJMKII-RUZDIDTESA-N 445.523 2.844 0 40 IFAB CN1CCC(c2nc(O)cc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)CC1 19588232 DARUVBWBTFFIOW-MRXNPFEDSA-N 434.537 2.699 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1S(=O)(=O)N1CCCC1 20628817 VVQYEGKNEJTCIK-UHFFFAOYSA-N 446.497 2.949 0 40 IFAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)NC(=O)NC1CC1 21462567 NAMJSUFBTUDSOI-AWEZNQCLSA-N 440.529 2.686 0 40 IFAB O=C(CCn1cnc2ccccc2c1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533735 CEYABZDMLQRYJN-UHFFFAOYSA-N 445.445 2.939 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 21600808 GSFWPNZSIUACGQ-HOTGVXAUSA-N 425.460 2.726 0 40 IFAB CC(C)c1n[nH]c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)n1 21761047 AWGMSTIARUXNST-UHFFFAOYSA-N 449.602 2.784 0 40 IFAB COc1ccc(CN2CCN(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)cc1 22921719 CFOFUJPYBVPSLS-UHFFFAOYSA-N 440.935 2.686 0 40 IFAB COc1ccc(OCCNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1 25263361 USMBRQSDWBOFMR-QGZVFWFLSA-N 436.306 2.752 0 40 IFAB CCC(=O)N(c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)s1)C1CC1 26202497 BEVISSVLHBIQCW-UHFFFAOYSA-N 426.589 2.986 0 40 IFAB CC(=O)Nc1ccc(OS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 26748663 TYIRZQBHXJOJSA-UHFFFAOYSA-N 441.259 2.506 0 40 IFAB COc1cc(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccccc45)C3)C2=O)cc(OC)c1OC 30903961 QGAXKBLJIUDUOZ-LJQANCHMSA-N 435.480 2.884 0 40 IFAB biogenic O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 36397950 STDRRONKXVDPJR-UXHICEINSA-N 441.528 2.843 0 40 IFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)c(C)c1 48301091 HMBJDOBKMNCUCI-HXUWFJFHSA-N 435.528 2.770 0 40 IFAB COc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1OC 57507005 HUZOCOLLTCRTEM-UHFFFAOYSA-N 447.542 2.671 0 40 IFAB COc1cc(CN2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)ccc1OCC(N)=O 72353448 VFFPODDFAKBHQF-SFHVURJKSA-N 448.527 2.868 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)nn2[C@H]2CCS(=O)(=O)C2)cc1 72405122 HWRBTWOIOMFDGI-INIZCTEOSA-N 426.498 2.874 0 40 IFAB COc1ccc(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(OC)c1OC 95424604 CYXYMMPJSLOOOW-SFHVURJKSA-N 426.469 2.938 0 40 IFAB COc1ccc(Cl)cc1NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)N(C)C)CC2 96096391 OECMTSZIMYXGEC-UHFFFAOYSA-N 445.954 2.614 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1ccccc1C 96521142 QPKKDMRXXNLTRS-GHMZBOCLSA-N 433.105 2.947 0 40 IFAB C[C@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 105631002 KMHFOMIMTGFSRX-ABHRYQDASA-N 428.938 2.897 0 40 IFAB C[C@H](C(=O)Nc1cc(F)ccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 108990372 LAZIENUAHAUXGN-ZIAGYGMSSA-N 430.455 2.988 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH]c(N3CCC[C@H](C)C3)nc(=O)c21 139085580 ATGIIJGGSJWIQH-WCQYABFASA-N 445.907 2.733 0 40 IFAB Cc1ccccc1CSCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 219988380 XOOSTIAAFWPHEC-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 220291912 SKGUOKSMYDMZMZ-ZDUSSCGKSA-N 434.543 2.831 0 40 IFAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220653011 PCAQOARTZVHXED-FQEVSTJZSA-N 434.558 2.997 0 40 IFAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 224401607 RPICIHGJIZHUAP-OAQYLSRUSA-N 446.569 2.916 0 40 IFAB Cc1cc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Br 224835336 WWYXTQYNHFDKAA-UHFFFAOYSA-N 442.287 2.809 0 40 IFAB CC(C)CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)s1 224922198 OBIUPWXZIPKBAH-UHFFFAOYSA-N 429.593 2.781 0 40 IFAB Cc1cc(C)cc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)c1 225276449 LSYVIZITHRPXDA-LJQANCHMSA-N 432.542 2.806 0 40 IFAB COCCOCC(=O)N1CCC[C@]12CO[C@H]1c3ccccc3O[C@@](C)(CCC(=O)O)[C@@H]1C2 257292195 QKLAZTXNIBVAIB-JMBSJVKXSA-N 447.528 2.804 0 40 IFAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CCOc3cccc(F)c3)CCO2)n1 257303307 SGRCFKHXNDAFKG-OAQYLSRUSA-N 437.475 2.937 0 40 IFAB COc1ccc(C)cc1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 409152508 BIVBKMKIJAGYEX-UHFFFAOYSA-N 439.541 2.722 0 40 IFAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 525094169 VEMVFSQLLTYDSA-SFTDATJTSA-N 440.931 2.862 0 40 IFAB CCc1noc(CCC(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)n1 643556574 MKUOCGGTWLSRJT-UHFFFAOYSA-N 434.924 2.991 0 40 IFAB Cc1nc(C(=O)Nc2ccc(Oc3cccnc3)nc2)nn1-c1n[nH]c(C(F)(F)F)n1 677798101 HMIQEZLDGWSLJW-UHFFFAOYSA-N 431.338 2.547 0 40 IFAB CN(C)C(=O)c1ccc2c(c1)CCCCCN(Cc1cscn1)CC[C@H](O)[C@H](O)CO2 1615123717 UUMQQYRLMJXFLN-LEWJYISDSA-N 447.601 2.564 0 40 IFAB CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@H]1c1ccccc1 1848352673 IIEJYHIFBDRRBO-QFIPXVFZSA-N 435.524 2.733 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 791660 SSVBXGQFZIMTLV-LJQANCHMSA-N 446.569 2.772 0 40 IFAB CCOC(=O)Cn1nnnc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 925857 VEJVCQCFPCTTQM-UHFFFAOYSA-N 438.532 2.721 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(I)cc2)cc1OC 2582345 ZTWKSCVJXHJBSF-UHFFFAOYSA-N 447.294 2.829 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 3280535 ZETRRZXKFLPPCP-INIZCTEOSA-N 426.469 2.896 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCC(Cc2ccccc2)CC1 3477702 NYOWBWSYEVWERP-RUZDIDTESA-N 433.508 2.698 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OCC 5687970 JAOBKTJRPLQIQU-UHFFFAOYSA-N 427.501 2.689 0 40 IFAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)c5ccccc5)CO[C@H]34)n2)cc1 6137856 CTGLCSBHEYLUDF-FNAHDJPLSA-N 432.480 2.529 0 40 IFAB biogenic,in-vitro CCCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2c1c(=O)n(C)c(=O)n2C 6162146 MLXBYWCRFUZPFO-UHFFFAOYSA-N 449.964 2.926 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 7451867 AWLXUSDENRAQPF-IBGZPJMESA-N 425.504 2.574 0 40 IFAB CN(CCCC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(F)cc1 8735782 LHJDGJGTQPKXJW-UHFFFAOYSA-N 433.505 2.757 0 40 IFAB CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)CC1 8952238 CTAWYAGATDHPST-UHFFFAOYSA-N 426.469 2.723 0 40 IFAB C=C1c2cc3c(cc2CCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1)OCCCO3 8994696 FBKAADIITKFZSV-UHFFFAOYSA-N 428.510 2.767 0 40 IFAB O=C(NCc1ccccc1)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 9253120 OGYRBPMZDIHULP-UHFFFAOYSA-N 447.491 2.573 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)Nc1ccc(Cl)cc12 9487012 UZFLCNCFVZZYLV-JOCHJYFZSA-N 438.823 2.810 0 40 IFAB COc1ccc(OCCSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 9508979 OSICKNVYUKLKIC-UHFFFAOYSA-N 430.530 2.504 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9514008 DLLRKEQFVSKWKH-VWLOTQADSA-N 449.507 2.590 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1C 9643406 HPIOKCSPPMJYHB-FUHWJXTLSA-N 440.496 2.624 0 40 IFAB Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c1[C@@H](C)CC2=O 10712758 OGQXHYVYAYLVGR-HNNXBMFYSA-N 429.494 2.925 0 40 IFAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 10883562 ULFWCBZXECFNHU-MRXNPFEDSA-N 447.538 2.790 0 40 IFAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12998958 JDPYAMCPADXXKM-HXUWFJFHSA-N 433.961 2.666 0 40 IFAB Cc1ccc(C)c(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 13682659 SCFHLQZLHWBNOB-GOSISDBHSA-N 433.549 2.946 0 40 IFAB CC(=O)Nc1ccc(OC(=O)CN2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 13839430 PPFZJIFEEDPZSQ-UHFFFAOYSA-N 446.257 2.782 0 40 IFAB CCOc1ccccc1-n1nnc2c(=O)n(Cc3nc(-c4cccc(C)c4)no3)cnc21 16843380 ODJRCFBSTZQZGM-UHFFFAOYSA-N 429.440 2.783 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c1 16851314 IMAZGKMCQAUOQG-UHFFFAOYSA-N 425.470 2.613 0 40 IFAB COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C 17579913 QOWRQPKFLLXCAN-HXUWFJFHSA-N 447.538 2.513 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1S(=O)(=O)N1CCOCC1 18702510 MKLNFZSQVJVHQI-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 19289005 XHSBCKHFKKZBKY-QFIPXVFZSA-N 437.931 2.783 0 40 IFAB O=C1CC[C@@H](C(=O)N2CC[C@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)N1 19373302 DHWAVXOWVMKZPE-HKUYNNGSSA-N 428.496 2.877 0 40 IFAB Cn1c(C(=O)N2CC[C@H](c3ncccc3C(=O)N3CCOCC3)C2)cc2cc(F)ccc21 19708043 IZTQMXXQSRNMDS-INIZCTEOSA-N 436.487 2.815 0 40 IFAB CNC(=O)c1cc([C@H]2CCN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C2)nc2ccccc12 19762666 BUSGYOSLNSHWKX-INIZCTEOSA-N 444.491 2.827 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22529264 KHEKQMWVNNPTGO-CVEARBPZSA-N 448.541 2.888 0 40 IFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)CS2 23078583 BQPONQOFTKTVRG-CRAIPNDOSA-N 429.464 2.935 0 40 IFAB CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3)[nH]c2=O)cc1 23119045 CRUSCNGVGYTFRJ-UHFFFAOYSA-N 443.550 2.574 0 40 IFAB CC(C)c1cc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c2cnn(C(C)C)c2n1 23462771 SBLFUJIBRPLWRJ-UHFFFAOYSA-N 447.547 2.775 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cc(F)ccc2Br)c1 25127357 UIUXJAQBLWYMBI-UHFFFAOYSA-N 429.311 2.913 0 40 IFAB NC(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 26817676 NWANDGFJGLFONL-WNRNVDISSA-N 428.275 2.994 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 30866450 KRTQYGJRKLAGTA-OAHLLOKOSA-N 434.514 2.848 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@@H]1c1ccco1 32776520 INWAIPXFPOTPSH-SJLPKXTDSA-N 446.843 2.651 0 40 IFAB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1nc2ccccc2c(=O)[nH]1 35307941 NOGMKVCJCYAIFB-UHFFFAOYSA-N 433.512 2.666 0 40 IFAB O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)o1 35597431 FYBRNCYSWYMOPS-CYBMUJFWSA-N 434.392 2.888 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)[C@H](c2ccccc2)C1 36387076 XXLNRXUKIIGSNG-SFHVURJKSA-N 441.475 2.656 0 40 IFAB C[C@@H]1CCc2nc(NC(=O)c3nn([C@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 40988238 ISZCLNQQYLQFFO-OLZOCXBDSA-N 434.587 2.955 0 40 IFAB CSc1nc(C)c(CCC(=O)O[C@H](Cn2cncn2)c2ccc(Cl)cc2)c(=O)[nH]1 48304310 NSYUYODLBDDPOA-MRXNPFEDSA-N 433.921 2.962 0 40 IFAB CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccccc3OCC)ncn2)CC1 49402050 ROROJQFLTXCBLL-UHFFFAOYSA-N 443.573 2.959 0 40 IFAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(F)cc3Cl)c2=O)CC1 49409142 NWJRCRJYHQQUJT-UHFFFAOYSA-N 441.912 2.700 0 40 IFAB COc1cccc(OC)c1Oc1ccc(CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cn1 58161371 WQVKZILIQAXPFG-AWEZNQCLSA-N 430.505 2.994 0 40 IFAB CCOc1ccc(C[C@H](CNC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C(N)=O)cc1 58162192 WARKHFYYSYJOGQ-CYBMUJFWSA-N 446.891 2.535 0 40 IFAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1cccnc1Oc1cccc(Br)c1 58425545 UUSJUAWMOHDZML-GFCCVEGCSA-N 425.304 2.801 0 40 IFAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)c(=O)c12 72347758 TVCMPUXAZGRFQW-MRXNPFEDSA-N 430.574 2.895 0 40 IFAB Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(-c3nnn(C)n3)c2)n1 79501779 GGGALOKAGXHHEP-FQEVSTJZSA-N 428.500 2.946 0 40 IFAB O=C(NCc1csc(-c2ccccc2)n1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124182 SXJPWFUXFXRHKJ-UHFFFAOYSA-N 446.540 2.714 0 40 IFAB COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1CC(C)C 96231416 PQQPNTRBJYIOAK-AWEZNQCLSA-N 444.513 2.577 0 40 IFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1 97020205 VVZPJTJTJAAVPD-QGZVFWFLSA-N 432.542 2.755 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(N[C@@H]3CC(=O)N(Cc4ccccc4)C3=O)cc2)no1 101826089 LHXVDNRMODRCLP-GOSISDBHSA-N 440.481 2.523 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220110145 HIMGJLXXQGHMKI-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1 223280275 LSQLXXWCVOUQFP-UHFFFAOYSA-N 434.495 2.614 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 226654836 MEQUQAJVQWRJRK-FBROZUCGSA-N 447.443 2.619 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1nnc(-c2cccnc2)o1 257231070 GFBTYVGIDXIQPX-INIZCTEOSA-N 428.470 2.819 0 40 IFAB O=C(C1CC=CC1)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306129885 IPQQTHZIKDVRSK-QHCPKHFHSA-N 439.537 2.602 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408651523 BEIDHJDAXHTFPR-YJKZWKBDSA-N 444.915 2.962 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1NC(=O)CC 408698140 OBRXIWSUXOHBGE-UHFFFAOYSA-N 447.557 2.953 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@H]2c2ccccc2)cc1 409058696 KKYJVAULILEZAY-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB COc1cc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)ccc1F 558788562 MCTDAZXBGVAAGL-NRFANRHFSA-N 425.504 2.717 0 40 IFAB O=C(NC1CCCC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1 585107395 UMSOVBYQROLRGI-DEOSSOPVSA-N 439.535 2.887 0 40 IFAB O=C(COc1cccnc1)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 590310259 YGBZDFOERLPVNQ-UHFFFAOYSA-N 438.488 2.720 0 40 IFAB O=C(Nc1ccccc1F)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 645223 NICCTWSYLINUJU-UHFFFAOYSA-N 443.294 2.861 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1 1941598 HNSHYSRTDOCAOU-UHFFFAOYSA-N 440.452 2.513 0 40 IFAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N 3286511 LWVXRGXCTDAGGQ-UHFFFAOYSA-N 432.333 2.517 0 40 IFAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 3553024 YLXJOFDLKOXOKC-UHFFFAOYSA-N 436.965 2.594 0 40 IFAB O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9245283 PYHFZWZEJNSYNU-UHFFFAOYSA-N 425.466 2.584 0 40 IFAB COc1ccc([C@H]2[C@H](C(=O)O[C@@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 9538538 JXUJEYSAOSCDJG-REDKUUPNSA-N 440.496 2.914 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccccc2N2CCN(C)CC2)c1 9672634 YBPYEVYCSUSTEO-UHFFFAOYSA-N 437.573 2.762 0 40 IFAB COc1cccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)c1 9829475 HXFWWESPDKZSFE-UHFFFAOYSA-N 447.470 2.951 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)/C=C/c3ccccc3F)CC2)cc1 10029591 KZRKKXUFGYVYFU-IZZDOVSWSA-N 445.516 2.767 0 40 IFAB CCOc1cc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc(OCC)c1OCC 10250794 QIALECXUVPXABG-UHFFFAOYSA-N 443.504 2.928 0 40 IFAB CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)[C@H]1CCS(=O)(=O)C1 11347790 VPOGIVFNDOIZFQ-ZDUSSCGKSA-N 434.543 2.736 0 40 IFAB O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1Cl 11455773 HRKUJBDXMHKQNI-HNNXBMFYSA-N 431.913 2.984 0 40 IFAB C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)N(CCN1CCCC1)c1ccccc1C(=O)N2 12231867 ITBOWPWXOCJLHP-NVQXNPDNSA-N 432.568 2.750 0 40 IFAB COc1ccccc1-n1cnnc1SCCOc1ccc(S(=O)(=O)N(C)C)cc1 12637031 ZBPFQOUBPUGHDX-UHFFFAOYSA-N 434.543 2.697 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCCCC3)CC2)cc1 12896776 SXIUKBNLDHLRAN-GOSISDBHSA-N 437.606 2.619 0 40 IFAB COc1cc(/C=C/C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc(OC)c1OC 13014707 VRALHAHOCXNEEK-XTXLJPNXSA-N 426.513 2.915 0 40 IFAB Cc1cccc(C)c1OC[C@H](O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13022882 SZPXQMDQXBGCKR-HXUWFJFHSA-N 436.549 2.579 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)cc1 13036854 ZOZSFOHNZDOVPT-UHFFFAOYSA-N 443.511 2.880 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc(F)cc1 13041646 LFVRMVJWRYRQFA-HXUWFJFHSA-N 436.505 2.606 0 40 IFAB COc1ccc([C@@H](CNC(=O)CN2CCC[C@@H](C(N)=O)C2)c2c[nH]c3ccccc23)cc1 13128793 SOWFAYDYJAUDDB-WIYYLYMNSA-N 434.540 2.622 0 40 IFAB CCOC(=O)CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 13372164 HKPARWIHRZGWAV-SFQUDFHCSA-N 431.286 2.899 0 40 IFAB NC(=O)C1CCN([C@@H](c2ccccc2Cl)c2nnnn2Cc2ccc(F)cc2)CC1 13504872 SMVOHGPNXJBDGD-IBGZPJMESA-N 428.899 2.801 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 13669161 HZNHIFJYBCRHLC-UHFFFAOYSA-N 448.516 2.817 0 40 IFAB Cc1ccc(N(CCCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1C 13681674 YARHJXFWKOTENW-UHFFFAOYSA-N 444.557 2.679 0 40 IFAB Cc1cc(C(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)c(C)n1C 15019768 QMBBRHFNFTZAMX-UHFFFAOYSA-N 447.586 2.712 0 40 IFAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 16753819 CDCSSHFNDURGCU-UHFFFAOYSA-N 442.950 2.605 0 40 IFAB CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(C)cc5)no4)cnc32)cc1 16843409 CANFHSJDXHTNAV-UHFFFAOYSA-N 429.440 2.783 0 40 IFAB NC(=O)c1ccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1 16848498 BQYAQXCLWCCCRW-UHFFFAOYSA-N 448.501 2.753 0 40 IFAB Cc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)cc1 17042428 NXKJJRBRFQYBTJ-UHFFFAOYSA-N 429.528 2.982 0 40 IFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)NCc3cccs3)CC2)C1 19219534 HABUHWHWDLYWSH-UHFFFAOYSA-N 427.570 2.948 0 40 IFAB C[C@H](C(=O)N1CC[C@@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459028 WYUUSSLKNWGKSU-GHTZIAJQSA-N 443.551 2.843 0 40 IFAB C[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 20045623 QOMNYUKEJUMBEM-OAHLLOKOSA-N 432.933 2.997 0 40 IFAB O=C(NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl 20745494 SMVYNXZDFSMRFB-HNNXBMFYSA-N 434.323 2.888 0 40 IFAB CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20769107 MWSLIAXVWJJJAR-UHFFFAOYSA-N 445.541 2.515 0 40 IFAB O[C@H](COCCOc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22916633 OPLJEWIACRGGDY-FQEVSTJZSA-N 448.947 2.643 0 40 IFAB C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(NC(=O)C2CC2)cc1 23103065 FZEXJRCRVFPYEP-HNNXBMFYSA-N 429.542 2.618 0 40 IFAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O 23674664 BMPBHAKRMSTRSE-CMJOXMDJSA-N 442.516 2.524 0 40 IFAB O=C1CN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c2ccccc2N1 24610813 CLLLIOBSORNPAV-UHFFFAOYSA-N 447.944 2.867 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1 31034241 UNXIKKPMRSJTNY-UHFFFAOYSA-N 443.525 2.635 0 40 IFAB CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 32510701 UVMDRICRANCMNW-SFHVURJKSA-N 431.452 2.919 0 40 IFAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 32913076 LGERGEKGUUEUFV-QGZVFWFLSA-N 436.578 2.583 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 38755800 BICCTBUQYGHMPQ-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB CCn1c(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nc2ccccc21 39980659 QUXIKPPXIYDPAC-UHFFFAOYSA-N 442.541 2.779 0 40 IFAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1 40072812 AJOZYZFEJYSPFK-UHFFFAOYSA-N 437.456 2.904 0 40 IFAB Cc1oc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1S(=O)(=O)N1CCCC1 48254020 UGEXAEWPFNENIH-UHFFFAOYSA-N 442.541 2.890 0 40 IFAB Cc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@@H](C)C4)nccn3c2=O)c(Cl)c1 49400277 OZLPQZVJTDJHBS-GASCZTMLSA-N 428.924 2.974 0 40 IFAB CC(=O)c1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 57507030 IYFHGJDPAYXZEE-UHFFFAOYSA-N 429.527 2.856 0 40 IFAB Cc1noc(CCC(=O)N2CCC(c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)CC2)n1 72371175 WPXDGKQXIAZUHF-UHFFFAOYSA-N 438.532 2.504 0 40 IFAB O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 79022668 QMPFBTTWSUSXCF-MRXNPFEDSA-N 426.904 2.652 0 40 IFAB O=C1N[C@@H](CCC(=O)N2CCC(c3nnc4ccccn34)CC2)C(O)=Nc2ccccc21 95476556 UOTRLORTAPPGRE-SFHVURJKSA-N 432.484 2.616 0 40 IFAB COc1cccc(NC(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)c1 96144762 PSUPELYXTHNYSF-LJQANCHMSA-N 441.532 2.586 0 40 IFAB Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 97996350 ACWQBUFCBSRDQM-LDADJPATSA-N 441.484 2.717 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCCn1nc(C)cc1C)NC2=O 100181950 QSDYHZULMVYJGK-ODNSNXTGSA-N 438.528 2.580 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 138882707 BGCPTNVQJJPEDH-CQSZACIVSA-N 430.844 2.661 0 40 IFAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219968267 UUHCTZDAOUPFMG-UHFFFAOYSA-N 432.527 2.654 0 40 IFAB CCc1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 223742817 ZHQHTEMNUVDRAL-UHFFFAOYSA-N 432.542 2.850 0 40 IFAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244998 MTGVTFQZUHXORO-HXUWFJFHSA-N 434.558 2.906 0 40 IFAB COc1cccc(OCCNC(=O)CCCN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c1 224850980 KXSGKIHAZCFDHJ-UHFFFAOYSA-N 448.541 2.639 0 40 IFAB CC(C)CSc1nnc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1 225092325 HGKMDDGAUFHBGW-UHFFFAOYSA-N 426.545 2.740 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCOCc3ccccc3)s2)c1 225147181 ITMCCUVEMLYDAA-UHFFFAOYSA-N 432.527 2.594 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225358640 TUMAXSLVSIZXHK-UHFFFAOYSA-N 445.541 2.581 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)c(O)nc2c1 253616920 SUAOACBKXJPNLK-UQASEVPWSA-N 438.532 2.936 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(Cc4ccncc4)C[C@@H]3c3cccnc3)C2=O)cc1 306124209 BJKXEURDONELMM-AOYPEHQESA-N 444.535 2.882 0 40 IFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408588189 CVVUHAXXJYAANE-HNNXBMFYSA-N 434.514 2.814 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1 408664892 PQIDTFCYKUJXGN-KDIGXEEGSA-N 446.459 2.802 0 40 IFAB O=C(CN1CCCN(S(=O)(=O)C2CC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 549454257 MOFSKEQGRKLCKB-UHFFFAOYSA-N 439.887 2.797 0 40 IFAB Cn1c(CCCC(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)nc2ccccc21 2037880150 JFEHUOILCNOWQG-HSZRJFAPSA-N 425.508 2.578 0 40 IFAB CO[C@H]1CN(C(=O)c2ccccc2Cl)CCCCc2ccccc2OC[C@@H](O)[C@H]1O 2037971357 UUPROFVJHIAFJM-BAGYTPMASA-N 433.932 2.934 0 40 IFAB O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCOCC1 1785746 WGSDCKNFJBOMHO-UHFFFAOYSA-N 439.899 2.633 0 40 IFAB COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 4259088 ZACRNRNWXGQQRE-LSDHHAIUSA-N 428.464 2.614 0 40 IFAB biogenic,in-vitro COc1cccc(CNC(=O)CCc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)c1 8604917 HROWQVWIOCTHTM-UHFFFAOYSA-N 433.512 2.958 0 40 IFAB C[C@@H](CCc1ccco1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9053610 LYMFNWDSFYKLDC-GJZGRUSLSA-N 448.570 2.823 0 40 IFAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OC(F)(F)O2 9119516 VHMFGMCJGIXOFK-HNNXBMFYSA-N 436.392 2.993 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 9128823 LIXLMKGVTQIFEU-QGZVFWFLSA-N 446.525 2.508 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9255869 VDOJNRNSJBJPLJ-HNNXBMFYSA-N 434.543 2.933 0 40 IFAB O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9303713 LVJOAHQOOXCRIT-MRXNPFEDSA-N 445.516 2.992 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 9390487 JRIIMUXEYXFBQC-UHFFFAOYSA-N 444.509 2.700 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 9463641 RODNHFUIRXROIK-VAWYXSNFSA-N 428.510 2.556 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnc(NC(=O)CC(C)C)s2)cc1OC 9599979 MSNJOJKLOMSUCY-UHFFFAOYSA-N 438.575 2.991 0 40 IFAB O=C(CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1c(F)cccc1F 11693269 VGEJZBBVOWXQBN-UHFFFAOYSA-N 427.386 2.706 0 40 IFAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 12126707 REEYQCUZVPMAQE-HFZDXXHNSA-N 433.552 2.717 0 40 IFAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc(Cc2ccccc2)c1=O 12347927 AKKUWTUPBKKQEJ-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1 12542836 IQEMLLDOFGPNPA-UHFFFAOYSA-N 441.912 2.575 0 40 IFAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)Nc2ccccc2O)CC1 12795363 ZMELIPNNXNVEGI-OAHLLOKOSA-N 425.485 2.841 0 40 IFAB Cn1c(SCCN2CCCC2)nnc1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 13565236 FTGCERLTTBCLLZ-MRXNPFEDSA-N 429.546 2.709 0 40 IFAB CN(C)CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 13671065 SJEDQQFHZMWTAG-UHFFFAOYSA-N 430.357 2.867 0 40 IFAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2ccc3c(c2)OCCO3)N1Cc1cccnc1 13692329 XVEUBSIQROLBBH-AUSIDOKSSA-N 438.505 2.702 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)C(=O)N(C3CC3)C1=O)CC2 14169525 ANRWEYBWOAMUHG-OAQYLSRUSA-N 435.480 2.562 0 40 IFAB COc1c(Br)cc(Br)cc1CNCCSc1nnnn1C 16363656 MDRQVNDOAVWIIX-UHFFFAOYSA-N 437.161 2.626 0 40 IFAB Cc1c(NC(=O)CNC(=O)c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C 17303404 TVRQQOUAIKVAFD-UHFFFAOYSA-N 443.301 2.615 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)cc1 19647821 ZYFXMZIMPQIGFU-RQWVFBBXSA-N 448.585 2.780 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)CCN2CCC(C)CC2)nc2c1CN(C(C)=O)CC2 19710371 QJHXPNPVESGHJE-NRFANRHFSA-N 442.608 2.599 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)COc2cccc(N(C)C)c2)ncc1C(=O)N(C)C 19765580 SWSMWAYCMKOSAL-FQEVSTJZSA-N 425.533 2.685 0 40 IFAB CCc1cccc2c(/C=C3\N=C(S)N(CC)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 20058669 ZZPSCVJTYFKSFD-BEWREHSGSA-N 440.569 2.988 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2nc(-c3cccc(OC)c3)n(-c3ccccc3)n2)CC1 20167841 RXNGEZRLZJHUTJ-UHFFFAOYSA-N 435.484 2.857 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1cc(C)no1)n2C 26468655 NOGOPRASPPYXNB-UHFFFAOYSA-N 434.518 2.576 0 40 IFAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 30913415 BQXZSRARISECOW-UHFFFAOYSA-N 429.567 2.989 0 40 IFAB Cc1cc(NC(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)ccc1Br 32814368 DSYKFNJKZLXDES-UHFFFAOYSA-N 436.287 2.749 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C(C)C)c1 32986426 NEBZSJIUDGVDKL-NFBKMPQASA-N 439.556 2.849 0 40 IFAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nn1c(C)nnc1SC 33689980 PJNZHYGCBZPVQE-UHFFFAOYSA-N 430.353 2.646 0 40 IFAB NC(=O)c1ccc(S(=O)(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 36397341 AWQUWKSWAZBTLB-FQEVSTJZSA-N 438.484 2.994 0 40 IFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 36676929 VFIZVVKLMJYHSO-AREMUKBSSA-N 442.519 2.956 0 40 IFAB CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 40156179 GJQRZPAHKGJJOY-KXBFYZLASA-N 446.598 2.981 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)cc1 54201838 FBKQYLAAGFSHAW-UHFFFAOYSA-N 431.242 2.794 0 40 IFAB Cc1cc(-c2cc(=O)[nH]nc2C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)on1 57761870 GTHHALGWZJFFAX-UHFFFAOYSA-N 436.440 2.580 0 40 IFAB O=C(NCCN1CCCS1(=O)=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 58159349 MBUOWKTXUYROSY-UHFFFAOYSA-N 434.905 2.551 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)cc3)c2C)cc1 67323165 VBBOINSMXROPNE-UHFFFAOYSA-N 437.456 2.663 0 40 IFAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)Cc4nonc4C)CC3)C1)c1cccn1-2 72327318 PTLZWLQODXGSCR-DEOSSOPVSA-N 449.511 2.822 0 40 IFAB CCS(=O)(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)Cc3ccccc3)o2)CC1 72344881 FYSROJVTJKXXOO-IBGZPJMESA-N 446.573 2.895 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(CN(C)C(=O)CC(C)C)o2)cc1 72373147 SZOKMJUIUQLQAC-KRWDZBQOSA-N 436.534 2.609 0 40 IFAB COc1ccc(C2(CN3CCC(NC(=O)[C@H]4CC(=O)N(C)C4)CC3)CCCCC2)cc1 72393603 RPQGAVDQOFTPES-IBGZPJMESA-N 427.589 2.956 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nnc(Cc2ccccc2)s1 79488130 QRKIWNIYWOLTMB-OAHLLOKOSA-N 431.543 2.554 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 85420741 DIWBIBLNZXIFIW-MCNSXXNHSA-N 434.279 2.893 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 89768323 NBGBHYQDHLNULT-GJZGRUSLSA-N 427.328 2.880 0 40 IFAB Cn1cc(CN2C[C@@H]3CN(C(=O)C4CCCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 96251465 QZBPZMVKRIAMAQ-RDGATRHJSA-N 441.620 2.567 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc(C4CCN(Cc5cccnc5)CC4)nn3c(O)c2C1 100232603 NTEBRMZGOKZUEY-UHFFFAOYSA-N 432.528 2.504 0 40 IFAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)c1 108234028 DAEUQYJMWHGXSC-XLRKYUMYSA-N 436.464 2.638 0 40 IFAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219968453 ZMNPIYVCLMYIAL-UHFFFAOYSA-N 446.554 2.996 0 40 IFAB Cc1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 224479305 KCOUMXJMPPETAV-IBGZPJMESA-N 438.933 2.679 0 40 IFAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)[C@@H](C)N 247997803 NDFFDCQDPHAPKQ-LZCPXLSCSA-N 448.611 2.780 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C[C@H]2C)c1 248105484 LHAIHZNXGFPJCX-GLDPYIMESA-N 443.613 2.950 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257235259 GXCBRSWMGNQLBC-OAHLLOKOSA-N 428.876 2.587 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1cccc(F)c1 409132074 KWJJZJZPDNHMMG-UHFFFAOYSA-N 448.257 2.835 0 40 IFAB CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 549930179 NSZVHKQJEKKSMM-MRXNPFEDSA-N 429.947 2.976 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)CC2=O)c(OC)c1 583652474 BGPFQDZGMFYZOP-QAPCUYQASA-N 440.496 2.878 0 40 IFAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 583652911 XQNNTLJCYWXRQB-SXWKCWPCSA-N 443.588 2.788 0 40 IFAB biogenic OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 604382211 KWQOOBAYOWFZGB-UAFMIMERSA-N 437.462 2.943 0 40 IFAB biogenic,in-vitro Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)N2CCOCC2)C(=O)C(C)(C)O3)cc1 1342421 XBCLUAUCIWAIOI-UHFFFAOYSA-N 437.496 2.610 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCCc2ccccc21 3433907 TVIVWSPHSYVWIR-OAQYLSRUSA-N 442.537 2.822 0 40 IFAB CCN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)[C@H]1CCS(=O)(=O)C1 4195375 ZCXWTPJSCMRCLU-HNNXBMFYSA-N 449.529 2.912 0 40 IFAB CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc1ccccc1 4806389 KNENAMJIAODDGM-MOPGFXCFSA-N 426.579 2.615 0 40 IFAB CCn1c(SCC(=O)N(CC(C)C)CC(C)C)nc2cc(S(N)(=O)=O)ccc21 5071557 BSZVGWFVLXCGJZ-UHFFFAOYSA-N 426.608 2.936 0 40 IFAB COc1ccc(/C=C/C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCOCC1 8692940 PRVWWPUFKKMAFS-ZRDIBKRKSA-N 436.574 2.958 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 9194233 SKHWODOACHFSMF-UHFFFAOYSA-N 434.905 2.635 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9313991 HLRSUOOYGGUJEN-VQIMIIECSA-N 430.526 2.878 0 40 IFAB Cc1csc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1 9612826 MEFLODAJWFRAFQ-UHFFFAOYSA-N 447.991 2.857 0 40 IFAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC(=O)N3CCCC3)c2)cc1 9618595 RBACPHJSURIJTR-UHFFFAOYSA-N 429.542 2.562 0 40 IFAB O=C(Cc1ccc2c(c1)OCCO2)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9870217 ANNMBFSIJGVMLN-UHFFFAOYSA-N 443.459 2.527 0 40 IFAB COC(=O)[C@@H]1C(=O)Oc2c(Br)cc(Br)cc2[C@@H]1[C@@H]1CCOC1=O 9972329 XOPIUKPSKNRAHB-BKDNQFJXSA-N 448.063 2.567 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 10009174 KNLSOAOBGUVENE-MGPUTAFESA-N 445.541 2.771 0 40 IFAB COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S[C@H](C)C(N)=O)nc2c1 10783861 HGJBEGHKHONWME-LLVKDONJSA-N 431.901 2.851 0 40 IFAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)NCc1ccco1 12140775 BGCDHAQJSAFRLG-UHFFFAOYSA-N 433.395 2.947 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c(OC)c1 12237683 ONHWRACHCNIKEU-UHFFFAOYSA-N 439.859 2.892 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NC(=O)NC(C)(C)C 12553555 COXIGFYHUBQIDA-CQSZACIVSA-N 442.607 2.751 0 40 IFAB COc1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCOCC1 12803050 DLLUJSAZWMCOFB-SYJIQKIWSA-N 442.537 2.707 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)c1 12864637 GNESOCQLAHPJRI-OKILXGFUSA-N 429.498 2.941 0 40 IFAB CS(=O)(=O)NC1CCN(CC(=O)Nc2ccccc2SCc2ccccc2)CC1 12998529 BVNRGDVAGKMHCG-UHFFFAOYSA-N 433.599 2.931 0 40 IFAB CCN(C(=O)CCCOc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13040614 MRUJWILKRJTKOZ-UHFFFAOYSA-N 436.512 2.688 0 40 IFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O 13040747 PCHXZQDCDYYUDR-UHFFFAOYSA-N 432.521 2.629 0 40 IFAB CC(C)CCN(C(=O)COc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13063282 XNNAFXRWAMFTID-UHFFFAOYSA-N 436.512 2.625 0 40 IFAB COc1ccc2c(=O)c(Oc3ccc(C(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)coc2c1 13729079 NJXCCHWGLCVKTD-CQSZACIVSA-N 429.450 2.511 0 40 IFAB biogenic Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1C 15245291 HGGKFARIOZHVIN-SBUREZEXSA-N 426.469 2.547 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)sc2c1CCC2 16689555 NRDYCOCIZJHUED-UHFFFAOYSA-N 444.538 2.856 0 40 IFAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ncccc32)cc1 17041872 SAUVTNOCGFHXPT-UHFFFAOYSA-N 442.475 2.756 0 40 IFAB O=C(CCN1C(=O)COc2ccccc21)Nc1cc2c(cc1Br)OCCO2 17365898 PNGQRNDPZABSQY-UHFFFAOYSA-N 433.258 2.975 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nnnn2-c2ccccc2)c1 17530824 XQXWQXPZNKXXMH-UHFFFAOYSA-N 449.492 2.844 0 40 IFAB COc1cc(Br)c(CC(=O)O[C@H](C)C(=O)NCc2ccco2)cc1OC 19298793 RILVPLCDXKLGEF-LLVKDONJSA-N 426.263 2.850 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)COc4ccccc4F)CC3)c(=O)c2c1C 19561377 HXIUMEUUKQUPIS-UHFFFAOYSA-N 445.516 2.646 0 40 IFAB CC(=O)NCc1ccc([C@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]2C(=O)N(C)C)cc1 19698710 AJGFHCITUBEHJH-PKTZIBPZSA-N 446.551 2.677 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)Nc1nccs1)CN(Cc1ccc(N3CCCC3=O)cc1)C2 19701405 DNJZDVHNSPILRM-SFHVURJKSA-N 436.541 2.742 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2csc(C)n2)C1 19703101 AZBGSPINRFPWLX-AWEZNQCLSA-N 444.582 2.996 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)nc2c1CCN(C(C)=O)C2 19708656 NVBMBCYYJMUBBD-NRFANRHFSA-N 442.608 2.597 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744281 MHHBUEXEYTWVKR-GOSISDBHSA-N 434.475 2.724 0 40 IFAB Cc1ccccc1CSCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245229 WVQNHIQEXLILRB-UHFFFAOYSA-N 439.578 2.797 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 20354175 RQDXLWJUUMFQKK-IBGZPJMESA-N 448.523 2.875 0 40 IFAB CN1CCN(CN2C(=O)[C@](O)(CC(=O)c3ccc4ccccc4c3)c3ccccc32)CC1 20414351 IBBHEKRWZBXGJQ-SANMLTNESA-N 429.520 2.852 0 40 IFAB COc1ccc(CCN2C(=O)c3ccc(C(=O)NCc4cccnc4)cc3C2=O)cc1OC 20744653 OIPLFRORZJMMCZ-UHFFFAOYSA-N 445.475 2.868 0 40 IFAB CN(CCCC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 21005299 NPKRTBWWKRTOLD-UHFFFAOYSA-N 433.549 2.571 0 40 IFAB CSc1ncc(C(=O)NCc2ccc(N3CCOCC3)nc2)n1-c1ccc(F)cc1 23199991 OHGXHWLQSSHYIF-UHFFFAOYSA-N 427.505 2.895 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)nn1-c1ccccc1F 23820165 KIROTCXOLJDLBB-UHFFFAOYSA-N 448.498 2.573 0 40 IFAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 32833591 PTJPRTJFABIUHU-UHFFFAOYSA-N 428.470 2.711 0 40 IFAB CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=S)N1C 37224389 IOSAZKOERPLFJJ-LLGFUMIMSA-N 432.929 2.952 0 40 IFAB COc1ccc(OC)c(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)c1 38753056 QNMQNXFCGMSJBW-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB CC[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856895 GMWGFYDAMZESPY-JXFKEZNVSA-N 448.541 2.888 0 40 IFAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)cc3OC)c2C)cc1 71327032 CEBWBSPHVUWHNN-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(Cl)nn4)CC3)C2)cc1 89629626 WHVGBVQOHPLTBH-SFHVURJKSA-N 427.936 2.639 0 40 IFAB CCNC(=O)COc1ccc(CN2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1 97164435 BXQAPAJRMDASEQ-UHFFFAOYSA-N 445.585 2.795 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117843 AMELWWFURHWRLW-LRTAWVDHSA-N 447.535 2.875 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1OC 216417141 QWCBZIAWBCOFBA-UHFFFAOYSA-N 446.569 2.870 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(OC)cc1)S(C)(=O)=O 220660861 SOFBKBDQSOZZEV-SFHVURJKSA-N 444.513 2.606 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2-n2ccnc2C)cc1 223325285 ZCUCQVVTNOEJIU-UHFFFAOYSA-N 444.582 2.840 0 40 IFAB O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@@H](N2C(=O)COC2=O)C1 225701280 WJJJCHQRBGDALX-GFCCVEGCSA-N 447.232 2.563 0 40 IFAB Cc1noc(-c2cccn3c(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)nnc23)n1 225749650 OPTBMZBYYJCRFV-UHFFFAOYSA-N 432.362 2.845 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 225914419 XBBXSXQDYZUMTH-UHFFFAOYSA-N 439.541 2.854 0 40 IFAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4ccc(=O)[nH]n4)CC3)CO[C@H]21 257276837 NVJAVMQRDVZLGM-OXJNMPFZSA-N 439.512 2.950 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccn(C(F)F)n2)CC1 257344002 ZVJPICBBRZCATL-WOIUINJBSA-N 434.487 2.728 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)C1 260712530 IKNINFKGUPOADJ-AWEZNQCLSA-N 438.575 2.861 0 40 IFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 575425707 HLRVQYHJBRXUDU-OAHLLOKOSA-N 441.914 2.540 0 40 IFAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)c2ccon2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262427 BESDTPJLXBKNRW-CZYKHXBRSA-N 425.460 2.625 0 40 IFAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCc3cccc4c3OCO4)CC2)cc1 585271490 AGQKLWVFYHKFQL-DEOSSOPVSA-N 426.513 2.636 0 40 IFAB Cc1nnc2n1C[C@H](C(=O)NCC1(c3ccc(Br)cc3)CCOCC1)CC2 676808842 XYGIMDZTXVHJBR-OAHLLOKOSA-N 433.350 2.776 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 3341858 KGEZJXZFZHBYJT-NSHDSACASA-N 430.404 2.798 0 40 IFAB COC(=O)CNC(=O)COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 3346225 HANSZMRLQNVFLI-MDZDMXLPSA-N 439.493 2.506 0 40 IFAB COCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 4353921 YANWBLYEOSGQMZ-UHFFFAOYSA-N 441.509 2.950 0 40 IFAB CCN(C(=O)CSc1nnc(Nc2ccccc2C)s1)[C@@H]1CCS(=O)(=O)C1 8684927 PVANHDLTMUBGEG-CYBMUJFWSA-N 426.589 2.718 0 40 IFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8943818 CEBABNYUKDHQKX-IBGZPJMESA-N 435.480 2.605 0 40 IFAB Cn1c(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 9202492 RBZLIWPZPYARED-QGZVFWFLSA-N 429.567 2.881 0 40 IFAB COc1cccc(/C=C2\SC(=O)N(CCC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)c1 9348853 XKJCFUGZBBTDPQ-WRDGEJPTSA-N 440.521 2.841 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccnn1Cc1ccccc1 9376333 VOVQYCLHBRORJN-UHFFFAOYSA-N 430.555 2.959 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)n2N)cc1OC 9442154 KJVUKYFHZKNUFJ-IIAWOOMASA-N 433.578 2.633 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)cc1OC 9474855 QTKUJOQVWVNMIT-UHFFFAOYSA-N 444.491 2.830 0 40 IFAB COCCNC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C)sc2c1CCCC2 9666750 MRISWTMXYOUTOQ-UHFFFAOYSA-N 449.602 2.740 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(F)c(C)c3)n2)cc1 9844851 VAEOIMJHGJYJNH-UHFFFAOYSA-N 431.489 2.735 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375859 AZDMUXPGLFQBFE-UHFFFAOYSA-N 432.590 2.668 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 11251929 UEKWMPPAYCPTIP-UHFFFAOYSA-N 430.448 2.946 0 40 IFAB Cn1c(=O)c2c(nc3n2CCN3c2ccc(OCc3cccc(Cl)c3)cc2)n(C)c1=O 11692414 WSJGEOAJJIFVRL-UHFFFAOYSA-N 437.887 2.818 0 40 IFAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1 12289048 JYZSKDQUXLWXAP-UHFFFAOYSA-N 429.480 2.630 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)n(N)c2=O)cc1 12347908 LQWMTRFCPDZUHH-UHFFFAOYSA-N 445.932 2.726 0 40 IFAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN([C@@H]1CCS(=O)(=O)C1)C3 12442536 DIFVSOAUUZNMME-CQSZACIVSA-N 427.478 2.808 0 40 IFAB biogenic COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 12551780 YDRUWIGTLFUMRZ-IRXDYDNUSA-N 432.542 2.765 0 40 IFAB COc1cc(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(OC)c1OC 12583470 SHUYUEMSHOURCK-UHFFFAOYSA-N 425.485 2.762 0 40 IFAB O=C1COc2ccc(S(=O)(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2N1 12735709 QMHIPUVOCNVROZ-UHFFFAOYSA-N 430.404 2.575 0 40 IFAB COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)on2)cc1 12745403 RJYQCVDYRPQNPF-UHFFFAOYSA-N 431.489 2.996 0 40 IFAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1 12891320 ZHNJUMDDCLWGMY-VAWYXSNFSA-N 431.536 2.923 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 13145570 XZBIGZPYTYUXIS-UHFFFAOYSA-N 446.554 2.636 0 40 IFAB CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713424 KTYABCCWKOJTDT-JOCHJYFZSA-N 429.586 2.884 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N=c3[nH]c4ccccc4[nH]3)ccc2Cl)C[C@H](C)O1 16019821 DTUQYTKDSDCNRV-STQMWFEESA-N 448.932 2.688 0 40 IFAB CC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16039234 UCASHEFULBEDKL-CADBVGFASA-N 438.281 2.917 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(Cl)c2)c1 16188183 VKPBSXQLBHUZSN-UHFFFAOYSA-N 428.894 2.625 0 40 IFAB COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1OC 16851178 AXHQCJYHPSSQLC-UHFFFAOYSA-N 428.470 2.672 0 40 IFAB NS(=O)(=O)c1ccc(C(=O)OCc2nc(-c3cccc(Br)c3)no2)cc1 19037994 IVCBAQGNFODQGI-UHFFFAOYSA-N 438.259 2.504 0 40 IFAB O=C(C1CCCCC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400087 WDKDOHVGINGSQK-NRFANRHFSA-N 449.555 2.997 0 40 IFAB Cc1ncsc1-c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)o1 19563090 YRXVNHZWWDUHOO-ZDUSSCGKSA-N 434.499 2.799 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)nc2c1CCN(C)C2 19708537 GSNFHFRTDZYWFC-KRWDZBQOSA-N 440.567 2.878 0 40 IFAB Nc1n[nH]c2nc(C3CCN(C(=O)COC[C@H]4CCCCO4)CC3)cc(C(F)(F)F)c12 19745110 GJHMGDHVEYOCSR-CYBMUJFWSA-N 441.454 2.851 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCCC4)C2)ncc1C(=O)N1CCCC1 19757371 LXPKJZXBOPUNJC-GOSISDBHSA-N 449.555 2.608 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4cnc(C)cn4)C3)nc2C)cc1 19766234 WDHQZAIRCRCUFE-MRXNPFEDSA-N 432.484 2.774 0 40 IFAB CCOC(=O)c1c(NC(=O)C[C@@H](NC(C)=O)c2cccs2)sc(C(=O)NC)c1C 21487772 SKBKXARROQFKJV-GFCCVEGCSA-N 437.543 2.860 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnnn1-c1cccc(F)c1 22255968 JADIVDDLGSHXQH-UHFFFAOYSA-N 434.884 2.644 0 40 IFAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22784753 UKUDJBGHTLCBRZ-WMZHIEFXSA-N 437.565 2.897 0 40 IFAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2CN2CCN(c3ccc(F)cc3)CC2)C1 23908269 NTCSWQRHWFXPPV-SFHVURJKSA-N 442.560 2.932 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1)OCO2 24991068 DWGKQRAIRYHBHX-UHFFFAOYSA-N 425.485 2.525 0 40 IFAB Cc1ccc([C@@H](NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c2cccs2)cc1 26492840 FIIYMXOHRJDRRJ-LJQANCHMSA-N 425.510 2.996 0 40 IFAB CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccccc4OCC)sc3nc2=O)cc1 26779348 LWGBDQPKAZLSAW-RCCKNPSSSA-N 449.532 2.837 0 40 IFAB CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 26783843 SVHFPROJDNYEGR-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB Cc1cccc(N2C[C@H](C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2=O)c1C 31241245 DUZCGOBOKWDKTB-JOCHJYFZSA-N 434.584 2.985 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@H]2CCCO2)NC(=O)N[C@H]1C 32747095 HCUCHQZEOIBPPC-UONOGXRCSA-N 434.514 2.633 0 40 IFAB CC[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O 32947216 AJTFAPPQWZJZOY-GHMZBOCLSA-N 428.352 2.547 0 40 IFAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)c1cnccn1 38620171 WDPLNCPQBJKJKL-NRFANRHFSA-N 449.486 2.638 0 40 IFAB CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cccc4ncccc34)CC2=O)cc1 65564008 GYRYRERTCOOQFR-AWEZNQCLSA-N 441.534 2.815 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 69291751 DGLDEDDVDFSSPW-QFBILLFUSA-N 440.009 2.515 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)C1=O 69380023 QKVREXIEZUCDHT-MRXNPFEDSA-N 433.512 2.852 0 40 IFAB C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(C(C)(C)C(N)=O)CC1 72308864 ZQRSIVOMWSUHIK-KRWDZBQOSA-N 441.601 2.582 0 40 IFAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)NCCc3ccco3)CC1)CC2=O 72327719 GORZGXQTARBCPT-FYSMJZIKSA-N 440.496 2.752 0 40 IFAB Cn1cc(C(=O)N2CCCC[C@@H]2Cc2c(C(=O)NCCO)sc3ccccc23)cn1 72370401 KINFTDKXUJXAOD-MRXNPFEDSA-N 426.542 2.594 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2ccc(C)nc2)CCN3CC2CC2)cn1 96230386 VYTHELNUKMTMSH-UHFFFAOYSA-N 433.556 2.827 0 40 IFAB CN(C)S(=O)(=O)N1CCc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2C1 96335303 VPFBEACNFGPIDK-UHFFFAOYSA-N 434.465 2.579 0 40 IFAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 101079202 TZBQMUIKNROKBM-GFCCVEGCSA-N 429.498 2.851 0 40 IFAB CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 115176007 ROBQYWANUNCPCX-INIZCTEOSA-N 432.542 2.770 0 40 IFAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)c1 222625919 NDTCGRPOOFNBGU-HNNXBMFYSA-N 436.505 2.907 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N[C@@H](C)c1ccccc1C 223716070 HACOJILYOMJMNQ-SFHVURJKSA-N 446.569 2.835 0 40 IFAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224322013 QMGSDQGCMBSVCL-GOSISDBHSA-N 446.569 2.996 0 40 IFAB COC[C@H](C)NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224797072 URLFMTARUDWXFK-AWEZNQCLSA-N 440.949 2.934 0 40 IFAB O=C(O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224823774 MSZVGSXSCUCAEL-UHFFFAOYSA-N 428.260 2.500 0 40 IFAB O=C1CN(C(=O)CN2[C@H]3CCCCC(=O)N[C@@H]3C[C@H]2Cc2ccccc2)c2ccccc2N1 257209393 BQEJKBIDBWVZFV-LSWJPFSZSA-N 446.551 2.716 0 40 IFAB CCc1noc(C)c1C(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O 257287668 PRACMEKGWZZRSN-AWRGLXIESA-N 427.545 2.995 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1C 408558061 IHMOQNSEQUJDLS-UHFFFAOYSA-N 426.579 2.726 0 40 IFAB COC(=O)c1cc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(C(=O)OC)c1 408563489 NLHIURKJVNXZNO-VQHVLOKHSA-N 429.425 2.938 0 40 IFAB Cc1cccc(NC(=O)CSc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)c1 409390685 LCXVOIJUSDSUDG-UHFFFAOYSA-N 436.541 2.913 0 40 IFAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1ccccn1 524734550 PYYPNJNSSBMESB-HSZRJFAPSA-N 426.476 2.945 0 40 IFAB C[C@H]1CN(C(=O)CN2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)C[C@H](C)O1 1888994955 CCQLTHBABYGSCU-ROUUACIJSA-N 446.555 2.902 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 2056223580 UHJWOGQAAGZPOA-HSZRJFAPSA-N 443.569 2.920 0 40 IFAB CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)O[C@@H]1OC(C)(C)O[C@H]21 2667049 DYPWYALADNLMHN-WZYWGQKZSA-N 433.379 2.920 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)NCc2ccccc2)cc1 3260021 ZWXBHNGQTGNAJZ-NTCAYCPXSA-N 430.526 2.590 0 40 IFAB COC(=O)CCC1(CCC(=O)OC)CCCC(CCC(=O)OC)(CCC(=O)OC)C1=O 4683419 UXLAVQMGIIMWRJ-UHFFFAOYSA-N 442.505 2.525 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 5981478 DGFWNQTURIHIDN-OAHLLOKOSA-N 445.566 2.820 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(-c3ccoc3C)n1C)n2CC 8723965 JSYZUBHZWHDTSS-UHFFFAOYSA-N 443.533 2.696 0 40 IFAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 8940967 PNYAQJAKAIQWBL-UHFFFAOYSA-N 448.976 2.566 0 40 IFAB CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NC1CCCCC1 9335969 ZHVUTPOSEYOLPS-GOSISDBHSA-N 443.997 2.794 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)CC2=O)cc1 9452136 OCXWVYMCAVPLDJ-AQOAWAETSA-N 435.524 2.747 0 40 IFAB NC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)sc2c1CCC2 9486809 WKVKUCKZGFVXIX-UHFFFAOYSA-N 430.917 2.768 0 40 IFAB O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9545337 VAMNMIFRCVTUBI-UHFFFAOYSA-N 447.797 2.705 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1 9828614 LEQWGNGQSCSLEB-UHFFFAOYSA-N 430.511 2.532 0 40 IFAB COc1ccc2c(CC(=O)OCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1 9981954 GCRZLHANFVPVKL-UHFFFAOYSA-N 449.463 2.964 0 40 IFAB COc1cccc2sc(N3CCN(C(=O)CS(=O)(=O)Cc4ccccc4)CC3)nc12 10619773 XYHCMHTWEMPXPT-UHFFFAOYSA-N 445.566 2.569 0 40 IFAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1 10808913 KNCXTWWZYZMMBC-UHFFFAOYSA-N 443.529 2.594 0 40 IFAB Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1S(=O)(=O)N1CCOCC1 12679886 BVPCKFBCICFDET-UHFFFAOYSA-N 449.554 2.678 0 40 IFAB CCCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)[C@H]1CCS(=O)(=O)C1 12749776 FIIXMBHWUFBQHA-INIZCTEOSA-N 438.571 2.796 0 40 IFAB O=C(/C=C/c1ccc(Br)o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12781432 NCBHZQQEXMXNQX-DBWMJRBXSA-N 447.285 2.566 0 40 IFAB O=C(Nc1ccccc1I)c1ccc(S(=O)(=O)NC2CC2)cc1 12797980 MRSOSIABRIMILC-UHFFFAOYSA-N 442.278 2.984 0 40 IFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(I)cc1 12893998 QKLDEMVYFJSCQJ-UHFFFAOYSA-N 439.184 2.886 0 40 IFAB O=S(=O)(c1cccc(F)c1)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 12972461 CKXYIYJLKFHVFJ-UHFFFAOYSA-N 436.896 2.634 0 40 IFAB C[C@H]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2S1 13038551 ULDGJIUMFMZBER-SFHVURJKSA-N 445.610 2.910 0 40 IFAB CCCNC(=O)CN(C)Cn1nc2n(CCC(C)C)c(=O)c3ccccc3n2c1=S 13071549 YCCORDKDSMIWGA-UHFFFAOYSA-N 430.578 2.642 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 13164720 FLRQQFXQOVMKEW-UHFFFAOYSA-N 439.537 2.956 0 40 IFAB Cc1nc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)sc1C 13496164 ZRSROTLAIBDSDD-UHFFFAOYSA-N 439.544 2.912 0 40 IFAB COc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1S(=O)(=O)NC1CC1 14129092 MJLNTNROCIHCKO-UHFFFAOYSA-N 429.502 2.714 0 40 IFAB O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 16344219 RBCCYOMDNYKCRR-UHFFFAOYSA-N 442.324 2.865 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 16644486 FCTAOZUQYRHODQ-KRWDZBQOSA-N 435.977 2.972 0 40 IFAB Cc1ccccc1NC(=O)CSc1ncc(CO)n1CC(=O)NCc1ccc(F)cc1 17135962 BBGSGYKWSNSLKI-UHFFFAOYSA-N 442.516 2.870 0 40 IFAB CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 19116977 GIGNYQOLKCZXFV-HOCLYGCPSA-N 425.455 2.923 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)N2CCCN32)cc1 19171248 OCXOEGZKKXKHMB-QRVBRYPASA-N 442.313 2.993 0 40 IFAB Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 19236913 YOUIWECYOLOKDI-HSZRJFAPSA-N 444.597 2.724 0 40 IFAB COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2c1 19631901 VSYKEBWZACKRIZ-UHFFFAOYSA-N 440.525 2.790 0 40 IFAB CN(C(=O)CN1CCO[C@@]2(CC=CCN(Cc3ccccc3)C2=O)C1)C1CCCCC1 19704265 MTRSCBUJXAQLKK-VWLOTQADSA-N 425.573 2.837 0 40 IFAB CNc1cc(C2CCN(C(=O)c3cccc(C)c3OC)CC2)nc(CN(C)C(C)=O)n1 19710095 OCBNFZWPUGGTLX-UHFFFAOYSA-N 425.533 2.833 0 40 IFAB Cc1nc(C2CCN(C(=O)c3ccc(N)nc3)CC2)ncc1C(=O)NCc1ccc(F)cc1 19765932 GXXHEWUPNIJGBT-UHFFFAOYSA-N 448.502 2.851 0 40 IFAB COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2C(=O)NC2CC2)c1 19766977 WRDRXZUGJDOKIR-HXUWFJFHSA-N 438.528 2.991 0 40 IFAB Cc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 19938208 LGYHIRTWNLTSBH-RMKNXTFCSA-N 427.570 2.619 0 40 IFAB CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O)CCCC2 21602440 GZQYRYSVDRYGFU-SECBINFHSA-N 435.527 2.930 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C(=O)OC)cn1 22963292 JYYISNCNUKAYQD-UHFFFAOYSA-N 435.502 2.550 0 40 IFAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cc(Cl)c2c(c1)OCCO2 24175483 ZFSCRASLAAJFBY-QFIPXVFZSA-N 442.855 2.763 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(NC(=O)C3CC3)c2)s1 25752480 HXODFEJGFADRFL-GOSISDBHSA-N 447.582 2.875 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 29362043 SEOQLPBPWNVDPY-AWEZNQCLSA-N 426.330 2.747 0 40 IFAB O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30256583 IBVLGEHATODJJP-UHFFFAOYSA-N 440.475 2.708 0 40 IFAB COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc3ccccc3nc2C)c1 32741685 PFZACWMTQIBMSK-UHFFFAOYSA-N 449.916 2.873 0 40 IFAB O=c1c(Cl)c(N2CCC3(CC2)OCCO3)cnn1CCOc1ccc(Cl)cc1 32829567 BJEHCMZQPIDJKP-UHFFFAOYSA-N 426.300 2.972 0 40 IFAB CN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 32916502 NDDLTSOJFYPZLS-UHFFFAOYSA-N 427.492 2.931 0 40 IFAB Cc1cccc(NC(=O)CCCSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 35414292 AIZHHOJNDTWDEY-UHFFFAOYSA-N 448.614 2.837 0 40 IFAB COc1ccc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1OC 43957255 DBOBOKCUALLRII-UHFFFAOYSA-N 434.514 2.893 0 40 IFAB COc1ccccc1N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)S(C)(=O)=O 44874045 LUFYGXMBKNMEAL-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1OC 49008937 YCOUSBBDQPMFMA-UHFFFAOYSA-N 443.529 2.972 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1c(N2CCc3ccccc3C2)nc(C)cc1=O 57506482 ULEHQQWEVQBVFQ-UHFFFAOYSA-N 432.480 2.540 0 40 IFAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58111581 XFUHEVVPGSWOGG-TZIWHRDSSA-N 431.558 2.834 0 40 IFAB CN1CCCN(c2ccc(NC(=O)NCCCNC(=O)c3cccc(O)c3)cc2F)CC1 58177645 GGJGDXPKFBTDPX-UHFFFAOYSA-N 443.523 2.615 0 40 IFAB COc1cc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)cc(OC)c1 64593464 VSNXXQCIDZDDSG-UHFFFAOYSA-N 437.481 2.628 0 40 IFAB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 67284181 YRMMJIYIPNRRCJ-UHFFFAOYSA-N 434.500 2.797 0 40 IFAB COCCn1c(S[C@H](C)C(=O)NC2CC2)nc2ccc(Br)cc2c1=O 68888038 GQBCITWROHZHLD-SNVBAGLBSA-N 426.336 2.565 0 40 IFAB CC(C)N1CCC(C(=O)N2CCC[C@H](c3cc4nc(N(C)C)ncc4c(O)n3)C2)CC1 72341521 CQIWINKUGOWLEQ-KRWDZBQOSA-N 426.565 2.623 0 40 IFAB Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)c2ccc(OCC3CC3)cc2)c1 89702536 GWMVQGUZEXPEGG-UHFFFAOYSA-N 426.498 2.869 0 40 IFAB CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 95458130 HPAGTDHZHSJOPE-QKKBWIMNSA-N 436.505 2.589 0 40 IFAB O=C(CN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O)Nc1ccccc1F 96850682 IUKWACOETVQQGM-XDHOZWIPSA-N 448.410 2.846 0 40 IFAB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nnc(SCc2ccccc2)s1 100954388 DITNQGRWJUCZBS-OTRWWLKZSA-N 440.550 2.966 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 101166517 XQPTWDUEAMYXSE-IRXDYDNUSA-N 442.273 2.689 0 40 IFAB COc1ccc(N2C(=O)CC(=O)N=C2SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106175639 XJGRQEOYNRMBRY-LLDVTBCESA-N 429.542 2.989 0 40 IFAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113870330 WGFAGEPWAUQQQB-UHFFFAOYSA-N 441.303 2.776 0 40 IFAB CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N1C(=O)c2ccccc2C1=O 135658829 HPTBZTZXWZMVHL-FVJLSDCUSA-N 433.508 2.505 0 40 IFAB biogenic COCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(Cl)c1 222834152 CNTYQFFVKANMSW-CQSZACIVSA-N 438.933 2.621 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC3CCN(C)CC3)c2)cc1 224285995 DAXLHBAGLUDZRA-UHFFFAOYSA-N 445.585 2.982 0 40 IFAB COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 224351826 UYYCCCDVCILZDG-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(N2CCCCS2(=O)=O)cc1 224383121 CGGGQXWOHMLGBZ-UHFFFAOYSA-N 441.553 2.669 0 40 IFAB COC(=O)CSc1nnc(NC(=O)COc2ccc(Br)c(C)c2)s1 224675437 LEHWMOWJQINXFM-UHFFFAOYSA-N 432.321 2.892 0 40 IFAB COc1cccc(N(CCCC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 225012692 BRYDLAUHVPFAKL-UHFFFAOYSA-N 447.557 2.717 0 40 IFAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)cc1 225401309 FLYJKAPBFYZXTL-RBUKOAKNSA-N 427.555 2.969 0 40 IFAB Cc1ccc(C(=O)N2CCN3[C@@H](C2)CN(S(=O)(=O)c2ccccc2)CC3(C)C)cc1 253399091 IKIWYXXSKRRPML-FQEVSTJZSA-N 427.570 2.605 0 40 IFAB biogenic,in-vitro COCCN1C(=O)CN(C2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)C1=O 253399951 KDUJONBKPLSCJR-UHFFFAOYSA-N 449.507 2.826 0 40 IFAB COc1ccccc1[C@@H]1CN(C(=O)c2cccc(OCCN3CCOCC3)c2)CCN1C 257303348 SGVJQDAYYQFOGD-QHCPKHFHSA-N 439.556 2.535 0 40 IFAB COCCN1CC[C@]2(CN(Cc3cccc(OC)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306139813 UBKDJCLRXSRJOU-XUZZJYLKSA-N 426.561 2.937 0 40 IFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 408693273 MFMLDFUAOKTMJR-UHFFFAOYSA-N 432.498 2.827 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408693939 CJGPPZVZGYWMOY-UHFFFAOYSA-N 439.484 2.852 0 40 IFAB O=C(C1CC(O)C1)N1CCC2(CC1)C[C@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103950 XDQDUBVXILJDPV-ATKRNPRHSA-N 426.557 2.707 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CN(Cc1ccc(CO)o1)C2 1549168039 SNTXQEPTANFGFF-QFIPXVFZSA-N 437.540 2.597 0 40 IFAB CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)C1 1556638381 MGWNQFAATNCXMO-RTBURBONSA-N 440.548 2.836 0 40 IFAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 3237701 XECBQNYKAPWXKP-HNNXBMFYSA-N 439.468 2.686 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1 3328909 LHMJDUNEWNTROV-UHFFFAOYSA-N 437.525 2.548 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCc1ccccn1 6165994 VZBQDNPBMPSBCT-UHFFFAOYSA-N 437.521 2.814 0 40 IFAB CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(S(N)(=O)=O)ccc21 9126825 VYGPLFLQTVWOEO-UHFFFAOYSA-N 430.555 2.923 0 40 IFAB CCOc1cc(N[C@@H](C)C(=O)NC(=O)NC)c(OCC)cc1NC(=O)c1ccccc1 9220412 WTRDIBWIILOISE-AWEZNQCLSA-N 428.489 2.992 0 40 IFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 9253543 OAEFQXHIVGVLMP-HNNXBMFYSA-N 434.514 2.869 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 9498230 NAQTWFLTZJXSGM-UHFFFAOYSA-N 447.601 2.726 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NC1CCN(Cc2ccccc2)CC1 9585429 VVXWODHUSXXMIP-UHFFFAOYSA-N 440.632 2.882 0 40 IFAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N[C@H]1CCS(=O)(=O)C1 9612449 DHGPJYLUAKPLQR-KRWDZBQOSA-N 440.550 2.601 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 9631219 PTCHTVANBMRPRW-HDDQXRTFSA-N 436.574 2.778 0 40 IFAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(OC(F)(F)F)cc1 10518364 NPCWSFZZUFJTTP-UHFFFAOYSA-N 436.433 2.827 0 40 IFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1F 10833791 FYLWINFIJYQKPM-CYBMUJFWSA-N 445.310 2.809 0 40 IFAB O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(F)cc1 11594972 HSIPYVJERLWQIE-UHFFFAOYSA-N 433.461 2.547 0 40 IFAB Cc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)s1 11694551 RABIZPOOGJRQAO-UHFFFAOYSA-N 433.490 2.658 0 40 IFAB O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031353 IEQSXGBERDQXLS-AWEZNQCLSA-N 431.894 2.692 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)cc1C 12604784 IBDBZMOUWHDFIW-UHFFFAOYSA-N 445.585 2.945 0 40 IFAB Cn1ncc2c(N3CCN(Cc4ccc(C(=O)Nc5ccccc5)cc4)CC3)ncnc21 12848937 HZLYIVILQJAPQL-UHFFFAOYSA-N 427.512 2.938 0 40 IFAB COc1cc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@@H]2NC(=O)c2ccco2)ccc1OC(F)F 12982021 ZVVLVAPDIQHAKQ-IAGOWNOFSA-N 446.410 2.814 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2cccc(C)c2)CC1 13084796 JWADYYMNGZFPTO-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1I 13358556 XSMVVWDVZVSSHD-UHFFFAOYSA-N 433.223 2.799 0 40 IFAB CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2I)C1=O 16046320 DOKSOOSMUDEVLV-QGZVFWFLSA-N 443.285 2.976 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1 17094818 MGSFTDAWOKSRAH-LTCOOKNTSA-N 426.473 2.575 0 40 IFAB Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)Cn4nc(C)nc4C)CCNC3=O)cc2)c1 19235413 JJJHLHJSUWRYLI-HSZRJFAPSA-N 431.540 2.688 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)cc1 19647826 ZYFXMZIMPQIGFU-RRIIRSAJSA-N 448.585 2.780 0 40 IFAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1 20512620 IRMUKTVOJHDYFJ-YHELAOLJSA-N 434.565 2.739 0 40 IFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc(Cl)s2)CC1 23640478 CBQULWHYVYSBBF-UHFFFAOYSA-N 438.981 2.691 0 40 IFAB CCOC(=O)c1oc2ccc(Br)cc2c1Cn1cnc2c(cnn2C)c1=O 24424953 IDJKBQWXWSFXPD-UHFFFAOYSA-N 431.246 2.864 0 40 IFAB Cc1ccc(-n2c(S[C@@H](C)C(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1F 24713115 WUJQGIYFKJGSCS-ZDUSSCGKSA-N 426.473 2.866 0 40 IFAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 24842417 NMFGWAOLPWQNLT-UHFFFAOYSA-N 442.478 2.705 0 40 IFAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 25162513 LRFIXQKBCKBMST-KSMMKXTCSA-N 433.530 2.707 0 40 IFAB COc1ccc(OCc2noc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 29660813 PVUKBTMJNLWTRD-UHFFFAOYSA-N 426.448 2.754 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H](C(=O)O)C[C@@H]2CCCC[C@H]21 35335172 VXFJYXUZANRPDJ-OFOKGCAXSA-N 430.545 2.773 0 40 IFAB in-vitro CCCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 48302633 JQRUHHHJIAXMHV-IAGOWNOFSA-N 447.557 2.598 0 40 IFAB Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)nn2)c1 49406403 AUCNFQGOFNXDFZ-UHFFFAOYSA-N 447.495 2.647 0 40 IFAB COc1ccccc1NC(=O)CN1CN(c2ccc(F)cc2)c2ncccc2S1(=O)=O 49411556 LCEFYNYYJUBWMW-UHFFFAOYSA-N 442.472 2.968 0 40 IFAB COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 56998177 OAICUUDHJRMJRG-MSOLQXFVSA-N 426.966 2.886 0 40 IFAB Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2cc1C 57589926 GWICLXDGNRSVLB-QHCPKHFHSA-N 444.539 2.726 0 40 IFAB Cc1c(-c2nc(-c3cccnc3)no2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 64948511 UUDNHPLDRIKNMG-UHFFFAOYSA-N 426.454 2.874 0 40 IFAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)CCNc3ccc(Cl)cn3)CC1)O2 72393690 NCOSTCPSGGHIGY-UHFFFAOYSA-N 444.919 2.729 0 40 IFAB CN(C(=O)CCNC(=O)c1ccc(F)cc1F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 89335241 JMGGKBJHCWTGKE-MRXNPFEDSA-N 442.871 2.725 0 40 IFAB CC(C)Cn1c(CNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96222849 CVNBOAFKBPGBMF-IBGZPJMESA-N 433.512 2.839 0 40 IFAB biogenic CCOc1ccc(OCCNC(=O)COC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1 97164523 YPMFFUYCHVGRIH-QFIPXVFZSA-N 441.528 2.573 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 101167061 ODWOKVLCQOARLV-IRXDYDNUSA-N 445.273 2.960 0 40 IFAB CC(C)COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102085672 VFKSJBKTHFNPEF-GWSLLXFZSA-N 436.508 2.880 0 40 IFAB COC(=O)/C(C)=C/C=C\[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@@H](CC(OC)OC)[C@@H](C)[C@@H](O)[C@H]1C 104168826 IUPRBAQOWNNLEG-GKTPJZQMSA-N 428.566 2.705 0 40 IFAB CN(C)C(=S)/N=c1/ss/c(=N/S(=O)(=O)c2ccccc2)n1-c1ccccc1 104276736 DDYHZFMYFSEZGK-YWNVXTCZSA-N 436.609 2.637 0 40 IFAB Cc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1N1CCCCS1(=O)=O 222577831 XGAGSLNQCRALAU-UHFFFAOYSA-N 426.498 2.905 0 40 IFAB C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 223019085 WURLUGVTSODRQT-LLVKDONJSA-N 445.360 2.961 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 223188143 LVTDUVXPSMDVCC-UHFFFAOYSA-N 435.571 2.806 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC 225302242 BUXXHQOOKRMQEU-UHFFFAOYSA-N 447.557 2.657 0 40 IFAB CN1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2N)CC1 226263376 RXIQLVDQCAVWPU-UHFFFAOYSA-N 436.297 2.878 0 40 IFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C1 247797105 CZRQCSFQSMBRPC-GUDVDZBRSA-N 433.556 2.888 0 40 IFAB CNC(=O)c1cnn([C@H]2CCCN(C(=O)C3(c4ccccc4F)CCOCC3)CC2)c1 257335206 YJCYHEQHDQAQEO-SFHVURJKSA-N 428.508 2.684 0 40 IFAB CC(=O)N1CCN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC12CCCCC2 534287454 AISWENSMBHXCIM-HSZRJFAPSA-N 441.620 2.552 0 40 IFAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCc4ccc(O)cc4)[C@H](O)[C@@]3(O)[C@@H]1C2 585261626 QKVMAWCCFAVROP-YFQPGXIDSA-N 439.508 2.662 0 40 IFAB Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)ncn2)n1 585291455 PSKDXOHNWGZNBS-DKFQHHCZSA-N 432.532 2.855 0 40 IFAB O=C(CN1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1cc(C(F)(F)F)ccc1Cl 653323831 NBKQZKBZWPGDLV-CYBMUJFWSA-N 433.858 2.868 0 40 IFAB O=C(Cc1ccc(F)cn1)N1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1 1565549940 KJUPQRIWVBDRQD-LJQANCHMSA-N 442.535 2.939 0 40 IFAB COc1ccccc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(C)on1)c1ccnn12 1772596398 DKNLWTMWCBWWDB-UHFFFAOYSA-N 435.484 2.757 0 40 IFAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC[C@@]1(O)CCCN(c2ccccn2)C1 2037879988 FWOXCOGZQHJJFJ-FQEVSTJZSA-N 433.434 2.598 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1 886877 DBIVQCFSOOQINR-FQEVSTJZSA-N 432.542 2.884 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1 1463507 FLEFPLQXAAOEFT-UHFFFAOYSA-N 431.514 2.929 0 40 IFAB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 2373712 PWCGGNVMACVEPR-XSFVSMFZSA-N 436.489 2.747 0 40 IFAB CCc1ccc(N2C(=O)C[C@@H](N3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)cc1 8694547 GJQADHRXOFQAMQ-GOSISDBHSA-N 436.541 2.933 0 40 IFAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 8767443 HOZLIFOBQUNCMT-LVQVYYBASA-N 430.302 2.778 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@H]1c1ccc(OC)cc1 9224010 PHKWQCLAICURPS-RBBKRZOGSA-N 434.500 2.999 0 40 IFAB COc1ccccc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 9519976 NNGGPYCOFUUHCV-QGZVFWFLSA-N 428.920 2.986 0 40 IFAB CC(=O)N1C[C@@H](C(=O)NCC(=O)Nc2ccc(Br)cc2C)Oc2ccccc21 9690985 AOTVWVXGRLCNRD-SFHVURJKSA-N 446.301 2.626 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 9698689 WVVMVJCMCQXTCZ-UHFFFAOYSA-N 434.514 2.552 0 40 IFAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 9740159 PMVSCKWXVSUUKI-LJQANCHMSA-N 446.912 2.881 0 40 IFAB O=C1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C2(CCCCC2)C(=O)N1 9882112 HHFRUESCWHGXED-UHFFFAOYSA-N 434.905 2.670 0 40 IFAB CCOc1ccc2nc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)sc2c1 10188054 PJQUZYIDFCLBNY-UHFFFAOYSA-N 431.495 2.868 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 11310986 MZZYLOXFHXLLTD-UHFFFAOYSA-N 447.799 2.861 0 40 IFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N1CCSc2ccccc21 12554980 DOBUKIUNCOTXQR-UHFFFAOYSA-N 434.587 2.920 0 40 IFAB O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12586603 BGIOARBZNGIJEG-UHFFFAOYSA-N 429.329 2.605 0 40 IFAB CSCC[C@@H](C(=O)O[C@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O 12813842 CLDXTHJTSQRUTP-KDOFPFPSSA-N 432.542 2.785 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1C 12821319 WAYKWYRGYLPVBK-UHFFFAOYSA-N 439.541 2.767 0 40 IFAB COC(=O)[C@H](C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1 12891134 CEOORNUSJFXOLH-LHSJRXKWSA-N 428.485 2.931 0 40 IFAB biogenic COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1F 12891752 ZUHRVFMWMHWQSU-UHFFFAOYSA-N 433.911 2.952 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)N(CC)CC(=O)NCc2cccs2)CC1=O 13004039 DCDRDXDUAGKHGO-MRXNPFEDSA-N 429.542 2.665 0 40 IFAB CSCC[C@H](C(=O)NCCn1c(C)nc2ccccc21)N1C(=O)c2ccccc2C1=O 15135860 YXFRDCKUSKLJOM-HXUWFJFHSA-N 436.537 2.879 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 15894234 GLTDUOHUWOPDNP-KWNHSTDBSA-N 443.503 2.822 0 40 IFAB biogenic CN1CCN(C(=O)c2ccc([C@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)nc2)CC1 19705926 XMLJHYPAESQIBP-NRFANRHFSA-N 438.547 2.947 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2ncc(C(=O)NCc3ccccc3)c(C)n2)CC1 19755226 PJSWWXAOUWSCMQ-QFIPXVFZSA-N 449.555 2.637 0 40 IFAB COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1cccn1 19764555 XLCFEHPPXPOIBV-LJQANCHMSA-N 434.500 2.505 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)ncc1C(=O)NCc1ccc(F)cc1 19764917 BUGORQXDFJCOPW-HXUWFJFHSA-N 436.491 2.955 0 40 IFAB CCc1cccc2c(/C=C3\N=C(S)N(CC)C3=O)cn(CC(=O)NCCCOC)c12 20058667 REMGCWOMRDYTLA-PDGQHHTCSA-N 428.558 2.845 0 40 IFAB CC[C@H](NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 20111006 YYBHYRMVWZURCT-SFHVURJKSA-N 436.530 2.746 0 40 IFAB Cc1cccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)c1C 20486663 LGMUUFFQKFZJPD-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C 25179874 RRWBIQMHBLCTDO-NRFANRHFSA-N 440.496 2.834 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccccc1F 30855612 AYOZMLWJYQJLNB-UHFFFAOYSA-N 427.929 2.841 0 40 IFAB COCCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ncccc2c1=O 31616133 NXHWBFMSAUPMBB-UHFFFAOYSA-N 428.558 2.615 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)N(C)C[C@H]3COc4ccccc4O3)c(C)n2n1 32739249 FTOOSGOROKAIIU-HNNXBMFYSA-N 427.530 2.694 0 40 IFAB CCOc1cc2c(cc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@H](C)C2 32748140 RRMLMNFMVQUANM-CVEARBPZSA-N 432.542 2.700 0 40 IFAB CCc1nn2c(=O)cc(CN[C@H](C)c3ccc(S(=O)(=O)N(CC)CC)cc3)nc2s1 32759429 KLPPGVVYCOPAKI-CQSZACIVSA-N 449.602 2.595 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 32830334 RHBVULOFHMPCGI-UHFFFAOYSA-N 425.470 2.575 0 40 IFAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)NC2=O)cc1 35445322 YANYSPUFGODIMY-UHFFFAOYSA-N 447.944 2.757 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 36398666 ZJZUCGZSXHOZAI-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 38756660 ZSGOIDVXOLVIFO-QGZVFWFLSA-N 442.541 2.742 0 40 IFAB Cn1nnnc1-c1cccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 48265139 ZCSHIFNUMKWGIM-UHFFFAOYSA-N 432.410 2.645 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 48333672 JIEQYFBULUHBLI-UHFFFAOYSA-N 447.967 2.735 0 40 IFAB COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 55408679 OAICUUDHJRMJRG-ZWKOTPCHSA-N 426.966 2.886 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccccc1Cl 57312334 UDEKJDMJOIYCGF-CYBMUJFWSA-N 425.938 2.888 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN[C@H](c2ccc(OC)c(OC)c2)C(F)(F)F)cc1 57996315 GDLRRDPCMOVITD-GOSISDBHSA-N 425.407 2.895 0 40 IFAB CC(=O)Nc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 60213981 FFBOEQHIOCKBGE-NRFANRHFSA-N 426.860 2.630 0 40 IFAB COc1cccc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)c1OC 72394395 OYEYUZADRXMUPX-UHFFFAOYSA-N 446.569 2.893 0 40 IFAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 100148252 HWBBDXZXILTPHO-FGTMMUONSA-N 428.558 2.672 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166683 FFQCBSBQOGULGE-QZTJIDSGSA-N 428.485 2.907 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@H]3C2=O)cc1OC 101272281 YHPPSWAMTMFCJY-RTBURBONSA-N 448.439 2.556 0 40 IFAB COc1cccc2c1OC(=O)[C@H]1[C@H]3C[C@H]([C@@H]1C(=O)O)[C@H]1Sc4[nH]c(=O)sc4[C@H]2[C@@H]31 101998794 LETQKJKEXLWDSX-PGIUAUMUSA-N 431.491 2.553 0 40 IFAB O=c1n(CCNS(=O)(=O)c2ccccc2C(F)(F)F)nc(-c2ccco2)n1C1CC1 211076155 PXGPRZXLSMKAHC-UHFFFAOYSA-N 442.419 2.637 0 40 IFAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1 220184023 DKSMIVMNBFZMQA-OAHLLOKOSA-N 431.514 2.615 0 40 IFAB COC(=O)c1cn(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c2ccccc12 222608078 WQAJZSQWENWLEM-UHFFFAOYSA-N 433.461 2.520 0 40 IFAB Cc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1N1CCCCS1(=O)=O 224399550 JJLLLWRTFLKGMI-UHFFFAOYSA-N 441.553 2.982 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 225192766 BSSCSUFOMRYJCJ-GOSISDBHSA-N 445.585 2.739 0 40 IFAB COc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 257311843 ULFVORPZRBQULU-SFHVURJKSA-N 446.573 2.899 0 40 IFAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1C 257319563 VTBIXCDKRQCPPS-IBGZPJMESA-N 441.513 2.694 0 40 IFAB O=C(Cc1ccco1)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306123243 AIFNBQYLESVCRG-WIOPSUGQSA-N 449.482 2.780 0 40 IFAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1 409154736 KKHQPOIUHIXSIZ-UHFFFAOYSA-N 425.514 2.967 0 40 IFAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c1 409357978 LGMIIVAPAOJRNW-ZDLGFXPLSA-N 439.493 2.843 0 40 IFAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1 1888866741 CPURDQYUQSQSDT-CVEARBPZSA-N 443.573 2.604 0 40 IFAB COC(=O)c1cccc(-n2ccn3c(=O)n(Cc4c(F)cccc4Cl)nc3c2=O)c1C 1889101392 NWXQGISOAXXUAT-UHFFFAOYSA-N 442.834 2.583 0 40 IFAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 802460 HNQVBAZGAITUDJ-HXUWFJFHSA-N 435.524 2.666 0 40 IFAB CCCNCC(=O)O[C@@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 1609316 WSYVQVSIRSEFSJ-RUZDIDTESA-N 447.491 2.630 0 40 IFAB Cc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C)c(Cl)c1)CN=3)C(=O)N2 2259643 QCJDLNQTUIAUDX-ZPHPHTNESA-N 438.940 2.694 0 40 IFAB CC[C@@H](CO)NS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C 2381896 CGARWUFWLQVPFG-INIZCTEOSA-N 425.514 2.611 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(N1CCOCC1)c1ccccc12 2693299 IDUQRGLKFTYJAO-UHFFFAOYSA-N 429.889 2.600 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3352902 BRTWMHNNDJEDJL-QGZVFWFLSA-N 438.528 2.623 0 40 IFAB NC(=O)c1c(NC(=O)COC(=O)c2cncc(Br)c2)sc2c1CCCC2 3408331 WHCBXYSFRPYCGQ-UHFFFAOYSA-N 438.303 2.679 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCOC)c1 4400374 BFUCORISFKDKGJ-UHFFFAOYSA-N 441.509 2.950 0 40 IFAB C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@@H](CN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C2 5440964 QXKIUFQFTLFBKF-NDIJEHHESA-N 427.526 2.648 0 40 IFAB biogenic,in-vitro CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 6821131 WVDFZVBVGUQFSK-CQSZACIVSA-N 449.602 2.756 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 8720167 RGWZXQZHAFRFHM-IQGLISFBSA-N 445.523 2.993 0 40 IFAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)NC1CCCCC1 8883674 CVQNXXSBGAFKKV-UHFFFAOYSA-N 449.463 2.803 0 40 IFAB Cn1c(=O)c2c(nc3n(C[C@@H]4CCCO4)c(-c4ccc5ccccc5c4)cn23)n(C)c1=O 9126716 ABVQPXMVJPHEJM-SFHVURJKSA-N 429.480 2.686 0 40 IFAB COc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1 9127223 HGBJJLUWTOTXRK-UHFFFAOYSA-N 427.482 2.517 0 40 IFAB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(F)cc3)C2)cc1 9380814 HSTRDVLHTUSIMC-GOSISDBHSA-N 425.507 2.698 0 40 IFAB Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCN1c1ccc(Cl)cc1 9406699 SHJAUASVHVSNIJ-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1ccccc1 9510423 PAAMENHQRHRYJB-FQEVSTJZSA-N 430.386 2.951 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 9570220 UOBOUGRWTMWGAU-UHFFFAOYSA-N 441.475 2.587 0 40 IFAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc(N2CCCC2=O)cc1 9580480 CKHDWJCQYAHNAX-HNNXBMFYSA-N 433.559 2.987 0 40 IFAB COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(Br)cc1F 9634056 WWBGZLTUNNGYOU-UHFFFAOYSA-N 439.237 2.509 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)cc1 9672668 UVYSWQJUGSNURU-UHFFFAOYSA-N 441.513 2.721 0 40 IFAB CCc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 9713269 XERGDDCRUWKHGW-UHFFFAOYSA-N 443.507 2.750 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 9844559 RAYDPAIBUDCUAJ-UHFFFAOYSA-N 449.916 2.559 0 40 IFAB COc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c(F)c3)n2)cc(OC)c1OC 10220826 QUVMLWBDYMOQIZ-UHFFFAOYSA-N 431.395 2.853 0 40 IFAB COc1cc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1 11164648 KNARJSIIWFXLIS-UHFFFAOYSA-N 429.425 2.620 0 40 IFAB Cc1nccc(-c2sc(C3CCN(C(=O)CN4C(=O)CSC4=O)CC3)nc2C)n1 12186217 ZTYQVVIZVMMAAJ-UHFFFAOYSA-N 431.543 2.618 0 40 IFAB COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCC(Cc2ccccc2)CC1 12602553 LOEPJUWSXNHSMD-KMDXXIMOSA-N 444.689 2.762 0 40 IFAB biogenic,in-vitro CCOC(=O)CNC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)C[C@@H](C)CC4 13499829 QNCCVOYGVWVDHK-NSHDSACASA-N 447.586 2.798 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC[C@H]1CCCO1 13567053 YNPQHPNNUSWJEK-LJQANCHMSA-N 444.553 2.811 0 40 IFAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccccn2)CC1 13804994 XNFJUGZXYWPICQ-UHFFFAOYSA-N 427.892 2.764 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccnc3Cl)CC2)c(C)c1 14921497 IDPCXVYUBDXAAE-MRXNPFEDSA-N 436.965 2.685 0 40 IFAB O=C1C[C@@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(Br)cc1 18137036 OQFXOSDQVDMIJR-GOSISDBHSA-N 430.302 2.609 0 40 IFAB CS(=O)(=O)Nc1cccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 18216127 CZVRAZIJDYMWGZ-UHFFFAOYSA-N 436.843 2.967 0 40 IFAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19078321 HKVOOVOIECISAI-YHUYYLMFSA-N 435.475 2.983 0 40 IFAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2nnc(N)s2)C1 19331572 CUGZZUVQRYECLL-NRFANRHFSA-N 441.582 2.728 0 40 IFAB CSc1nc2nc(C)c(CC(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)c(C)n2n1 19614753 SVYFJALJCCYGAX-OAHLLOKOSA-N 439.541 2.522 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(NC(C)C)n[nH]c3n2)C1 19742150 QRQMUQDCLQYFJR-LBPRGKRZSA-N 426.443 2.639 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)c(C)c1 20004342 JQTNEMAVLWCNNL-RTWAWAEBSA-N 430.570 2.797 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)Cc1ccccc1Cl)CSC2)NC[C@@H]1CCCO1 23139175 OODTZVKIFMPMLE-AWEZNQCLSA-N 434.949 2.760 0 40 IFAB O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NCc1ccc2c(c1)OCO2 23257745 PMMSHAQQHKAXJL-UHFFFAOYSA-N 435.446 2.868 0 40 IFAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(c2ccccc2)CC1 23762375 VKJKSLRJTGHIIU-UHFFFAOYSA-N 433.478 2.571 0 40 IFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c(OC)c1 28207972 ZPLANRWWXJHXOF-UHFFFAOYSA-N 428.894 2.625 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCc2cccc3cccnc23)cc1C 29851369 LKCAHIQQTOODTI-FPOVZHCZSA-N 440.521 2.719 0 40 IFAB Cn1c(Cc2cccs2)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 32829886 RQSMBPSBZXQFIH-UHFFFAOYSA-N 431.499 2.637 0 40 IFAB CCOC(=O)c1ccccc1C(=O)Cn1nc(N)n(Nc2ccc(OC)cc2)c1=S 36625665 SERYKEAXBQVFKS-UHFFFAOYSA-N 427.486 2.940 0 40 IFAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)c(F)c1)CC(=O)N2 40390598 YXXVEYCJSOKWTF-STQMWFEESA-N 431.443 2.882 0 40 IFAB COc1ccc2sc(N3C[C@]45C=C[C@H](O4)[C@H](C(=O)NC4CCCC4)[C@H]5C3=O)nc2c1 43732510 IYFIFVRJEYGKAR-JVGYHMDPSA-N 425.510 2.650 0 40 IFAB COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)CC1 43943674 GWZWXOJRNBQXRG-KRWDZBQOSA-N 438.528 2.933 0 40 IFAB CC1CCN(C(=O)[C@@H](NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)CC1 48373945 XXWUZJSOZHBCPS-QHCPKHFHSA-N 436.556 2.916 0 40 IFAB COc1ccc([C@@H](NCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1 58157543 PDWIFBGPAZIJLM-QFIPXVFZSA-N 425.510 2.660 0 40 IFAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(-n2cnnn2)c1 60060259 YSXFYZPZYDCPSE-UHFFFAOYSA-N 443.407 2.507 0 40 IFAB COc1ccc(NC(=O)C2(NC(=O)CN3CCCCCCC3=O)CCCC2)cc1OC 72310331 UOGDWCZLBJAGKV-UHFFFAOYSA-N 431.533 2.864 0 40 IFAB O=C(COc1ccc(I)cc1)OCC(=O)N1CCc2ccccc21 72331028 ASSAAEAPNHYNBT-UHFFFAOYSA-N 437.233 2.803 0 40 IFAB O=C(c1ccc(OC2CSC2)cc1)N1CCC2(CC1)C[C@@](O)(c1nccs1)CO2 72335502 VWVRRHVEPGOMFN-NRFANRHFSA-N 432.567 2.920 0 40 IFAB Cc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)c1 79112311 OEQJPOXTVCBWHP-IBGZPJMESA-N 429.498 2.909 0 40 IFAB NC(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)[nH]n1 84560017 CVMNBZSMYQYJSO-UHFFFAOYSA-N 427.424 2.814 0 40 IFAB Cc1nn(C[C@@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c(C)c1Br 102004237 MWXPKEYOSCSCGP-SECBINFHSA-N 436.335 2.667 0 40 IFAB C[C@@H]1[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCC[C@H]1C 104747658 XTLWQNKCRURYSP-GJYPPUQNSA-N 427.998 2.587 0 40 IFAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 222608518 SNLDFNXAYLXPFG-UHFFFAOYSA-N 442.459 2.797 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 224484472 RYVIAUJYWNNOKX-UHFFFAOYSA-N 430.404 2.517 0 40 IFAB COc1ccc(CNC(=O)CCCN(c2c(F)cccc2F)S(C)(=O)=O)cc1OC 224887032 GXRATTUNPQVCEZ-UHFFFAOYSA-N 442.484 2.845 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 225206306 CLGXMJXUGMSECR-GOSISDBHSA-N 445.585 2.739 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 260894882 GDSDKIXFUYYXFI-QGZVFWFLSA-N 431.558 2.879 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1 408562018 XAWJDBOOODYDFS-LLVKDONJSA-N 428.894 2.671 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658643 LJAWYZZSXZTYSO-PWDCEVBCSA-N 437.279 2.671 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)ccc1Br 409224300 JWBXUPHAZDFANW-UHFFFAOYSA-N 443.253 2.982 0 40 IFAB COC(=O)c1cn([C@H]2CCCN(c3nnc(-c4cc5c(s4)CC[C@H](C)C5)n3C)C2)nn1 507961004 IDJRTAWYEPXNSC-ZFWWWQNUSA-N 441.561 2.888 0 40 IFAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 514288807 FRQNWDUJOORMDW-REWPJTCUSA-N 433.980 2.640 0 40 IFAB biogenic,in-vitro COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)c1 585105074 XONMDJRPFWEQCI-JTAQYXEDSA-N 446.588 2.950 0 40 IFAB Cc1ccccc1OCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585282727 AENLMCIZNRSMSG-JOCHJYFZSA-N 432.904 2.579 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4C)C3)CC2)cc1 585285093 CHOWAHPBBNCAGU-SANMLTNESA-N 440.584 2.777 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCn1ccnc1 604403965 GIFJABRHDMBCKY-JOCHJYFZSA-N 429.480 2.595 0 40 IFAB biogenic CC(=O)N1CCCN(C(C)C)CCN(C(=O)c2ccc(=O)n(C)c2)Cc2ccc(F)cc21 643558145 JYNKUTFIFYGRQG-UHFFFAOYSA-N 442.535 2.634 0 40 IFAB COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)c1 2469152 ONBDZNATNZFQDU-UHFFFAOYSA-N 449.348 2.787 0 40 IFAB CN1CCCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1 3455659 CRASDDHLSDMQQP-UHFFFAOYSA-N 428.602 2.867 0 40 IFAB COCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1 3494091 WMSSFRXXLWHVON-UHFFFAOYSA-N 425.942 2.961 0 40 IFAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1C[C@H]1COc2ccccc2O1 3543032 YLRGYKRQDVEQGK-AWEZNQCLSA-N 425.514 2.874 0 40 IFAB Nc1cccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3ccc(F)cc3)nn2)c1 8254456 TXXGRCSCHZRUSU-YHYVQYDKSA-N 434.519 2.693 0 40 IFAB biogenic,in-vitro Cc1ccc(OCc2nc(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)cs2)cc1 8754227 PJMPANKAAUTYNR-UHFFFAOYSA-N 428.514 2.859 0 40 IFAB COc1ccc(CCNC(=O)c2nnn(-c3ccc(Br)cc3)c2N)cc1OC 8991823 JPCZVSVJMDWQBS-UHFFFAOYSA-N 446.305 2.602 0 40 IFAB COc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 9119632 OXLAHEWMXXOGIK-UHFFFAOYSA-N 425.938 2.669 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)c(C)n1C1CC1 9155592 GGJGUSJPNPCRIZ-DEOSSOPVSA-N 435.480 2.775 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C(=O)O)C(C)C 9169015 VUXYGWVIHPLBTM-FCLVOEFKSA-N 446.548 2.819 0 40 IFAB biogenic O=C1O[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Cc2ccccc21 9467818 FLQXCAVRDKJESL-MRXNPFEDSA-N 429.479 2.664 0 40 IFAB Cc1cc(NC(=O)CSc2nnc(SCC(=O)Nc3cc(C)on3)s2)no1 9635116 PEUWZAAWCHVOJO-UHFFFAOYSA-N 426.505 2.593 0 40 IFAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9639933 DIYVGDJGURQVLF-CQSZACIVSA-N 426.897 2.780 0 40 IFAB CCOC(=O)c1[nH]c(COC(=O)/C(=C/c2ccccc2)NC(C)=O)c(C(=O)OCC)c1C 9670849 SNAVITNXCIOVFJ-ATVHPVEESA-N 442.468 2.897 0 40 IFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1c(F)c(F)c(F)c(F)c1F 10021511 ONACRCMUDVJZMP-UHFFFAOYSA-N 434.342 2.554 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCCc2ccccc21 11904772 RYRXVPSJTPHLKM-UHFFFAOYSA-N 434.539 2.511 0 40 IFAB Cc1cc(C)n2nc(CC(=O)N3CCC([C@H]4CC(=O)c5cc(F)ccc5O4)CC3)nc2n1 12154172 WKPRFSYIEFXLNK-HXUWFJFHSA-N 437.475 2.695 0 40 IFAB Cc1sc(NS(=O)(=O)c2ccccc2)nc1C(=O)N1CCN(c2ccccn2)CC1 12324105 OVGWZTNSLFRRAX-UHFFFAOYSA-N 443.554 2.610 0 40 IFAB CC1CCN([C@H](CNC(=O)NCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 12919139 YTOFBJOXVUHVJU-OAHLLOKOSA-N 442.632 2.729 0 40 IFAB COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)N2CCCC2)cc1 13010616 PFQBFNZJYJLJEQ-NRFANRHFSA-N 425.529 2.777 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)C1 13533336 QNFNFTMTYSRXEG-HUUCEWRRSA-N 429.517 2.917 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1C 13580487 QBCWUQZXYQQVTO-UHFFFAOYSA-N 427.570 2.978 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 13686883 WULDXKMCPZMBAX-INIZCTEOSA-N 435.480 2.610 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](c3cccs3)C(C)C)cc2)CC1 15182669 IVEKHQUAVAYZJS-FQEVSTJZSA-N 449.598 2.728 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1 16399316 QCUSIFVTLXEQKV-UHFFFAOYSA-N 444.431 2.744 0 40 IFAB O=C([C@@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 19405325 JALPJLODKMASBQ-PZJWPPBQSA-N 433.556 2.967 0 40 IFAB CC(=O)Nc1ccc(OCC(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc1C 19570911 GOXQTPPTIYTREY-UHFFFAOYSA-N 445.541 2.537 0 40 IFAB O=C(C1CCCC1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699881 OFLHUTCHBPTQNC-NRFANRHFSA-N 438.572 2.754 0 40 IFAB CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)ccc1OC 20025035 DEPHIVRFCLQQQE-CQSZACIVSA-N 436.530 2.892 0 40 IFAB CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20613098 JVIANRMEEDOXTR-UHFFFAOYSA-N 430.526 2.557 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 21005427 GTGKNHKBYGEVRG-HXUWFJFHSA-N 445.560 2.571 0 40 IFAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)NCc1ccccc1CN1CCOCC1 21761491 KMDZIJJVVOCUQL-UHFFFAOYSA-N 433.508 2.783 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nnc(SCc2ccccc2)s1 21954486 JTVVRURHKCPEDA-UHFFFAOYSA-N 428.495 2.928 0 40 IFAB COc1ccccc1N1CCN(c2nnc(SCC(=O)Nc3cc(C)on3)s2)CC1 23139934 DNAZIKDOBJBTPM-UHFFFAOYSA-N 446.558 2.901 0 40 IFAB COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)N2CCCC2)cc1 23994263 WFGNYUQAXGZDPQ-FQEVSTJZSA-N 432.542 2.972 0 40 IFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 24754907 WHXLNKMAIAOYFP-SJORKVTESA-N 437.562 2.914 0 40 IFAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 29871563 QZSKXSNDACHUEM-FQEVSTJZSA-N 432.542 2.508 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)c(C)c1 34889291 FBPZIPSMHQFHHV-FQEVSTJZSA-N 429.586 2.970 0 40 IFAB Cc1nn(C(F)F)cc1S(=O)(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2 36614809 RJZPGSKECJIREH-UHFFFAOYSA-N 427.399 2.659 0 40 IFAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 40105173 JGHICULFFFGHIK-UHFFFAOYSA-N 435.509 2.755 0 40 IFAB O=C(NCc1ccc(N2CCCCC2)nc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 40121461 LREUPOPXFFIVRH-OAQYLSRUSA-N 442.585 2.932 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 40399184 HGQLEYXICMPQSG-INIZCTEOSA-N 432.440 2.536 0 40 IFAB O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1ccc2c(c1)OCO2 49406622 KGZIPSMRGSQJSU-UHFFFAOYSA-N 436.443 2.979 0 40 IFAB Cc1csc(C2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)CC2)n1 58310336 BTAJBDASFFKECZ-UHFFFAOYSA-N 436.603 2.984 0 40 IFAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CCn2cc(Br)ccc2=O)C1 72281726 SWBMEFFXMOFIPH-OAHLLOKOSA-N 432.318 2.878 0 40 IFAB O=C(CN1CCn2cccc2[C@H]1c1ccccc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 84525726 ITKSIONSXRUPDD-ZJSXRUAMSA-N 441.597 2.851 0 40 IFAB COC(=O)c1nc(NC(=O)COc2cn(C)c(C)cc2=O)sc1Cc1ccccc1 95472413 YSPUTKLXEKDMPY-UHFFFAOYSA-N 427.482 2.545 0 40 IFAB CCOC(=O)c1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)s1 95965585 XWRRHHRULUFXBR-UHFFFAOYSA-N 446.938 2.651 0 40 IFAB CN(c1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)S(C)(=O)=O 95993303 DZHJTUVKKUMXGS-KRWDZBQOSA-N 439.541 2.887 0 40 IFAB CN(C)[C@H]1CCN(C(=O)c2ncn3c(C4CCN(Cc5ccccc5)CC4)ccnc23)C1 96155700 MXINIOJZZDKPLW-NRFANRHFSA-N 432.572 2.885 0 40 IFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Cc1ccc(OC)cc1)CC2 96263302 AQJXCATUBQWJHH-UHFFFAOYSA-N 448.571 2.688 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1F 96319796 RCHYYIOWBPJQSH-DLBZAZTESA-N 433.802 2.859 0 40 IFAB C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 100235050 FHRVTIBMWSJZFC-DHSIGJKJSA-N 425.533 2.685 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)C2=O 110539588 FYBNOXKYJXCUMG-JIQFQSSQSA-N 429.517 2.772 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 220213488 PCJJMKPFFYSQKE-CQSZACIVSA-N 442.559 2.501 0 40 IFAB C[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220463686 FAAXESSPDHZTOL-OAHLLOKOSA-N 425.501 2.762 0 40 IFAB CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224071932 ZDLMLDDOWLTRFU-UHFFFAOYSA-N 444.538 2.918 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257328310 XFCGHXJGUCDIKY-OAHLLOKOSA-N 428.876 2.587 0 40 IFAB O=C(Cc1ccco1)N1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306123242 AIFNBQYLESVCRG-RDGATRHJSA-N 449.482 2.780 0 40 IFAB O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@H](c1ccccc1)N1CCC(O)CC1 544233122 JSMNZIFDPGADPL-SFHVURJKSA-N 444.333 2.535 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(Cc4ccc(F)c(C)c4)C[C@@H]23)n1 1549161641 HQLUYAANPLDUSA-HXUWFJFHSA-N 425.508 2.908 0 40 IFAB CC(C)CC(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4cccc(Cl)c4)c3[nH]2)C1 1325256 KPTZXTMJLHUETA-OAHLLOKOSA-N 428.924 2.968 0 40 IFAB O=C(Cc1ccccc1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1334972 SSVOMOJICLIRKF-IBGZPJMESA-N 428.496 2.512 0 40 IFAB CC(C)N(C(=O)CO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21)c1ccccc1 5224168 NJHYYAKMLCLPQN-URZNZNTCSA-N 435.517 2.841 0 40 IFAB biogenic Cc1cccc2nc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cn12 8707993 DKYYZSKPJPOLMB-UHFFFAOYSA-N 425.448 2.783 0 40 IFAB Cc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4cccs4)s3)CC2)cc1 9252330 CHJFFFFNRJICCH-UHFFFAOYSA-N 449.583 2.671 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(C)c2)cc1OC 9252649 HUVIAALICGSMSA-RTWAWAEBSA-N 434.496 2.937 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C 9263815 LZIMQHMARZRZIG-UHFFFAOYSA-N 447.467 2.763 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 9493199 MOBCSWSSPSSAIW-UHFFFAOYSA-N 448.925 2.609 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 9509378 MTQGNBNKZFDVPX-UHFFFAOYSA-N 432.498 2.521 0 40 IFAB CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1S(C)(=O)=O 9517134 LUCOZOCCMPSAKG-GOSISDBHSA-N 437.543 2.568 0 40 IFAB CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)s1 9591767 HGNKNFNTEQACJD-HSZRJFAPSA-N 439.537 2.987 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4)nc32)c(OC)c1 9739201 DYHLXGIDLOXKMV-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1 9821358 HXEIJMHMHXMDDE-UHFFFAOYSA-N 446.463 2.506 0 40 IFAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1cnc2sccc2c1=O 9987982 NMMKBRUGWLICMF-UHFFFAOYSA-N 443.916 2.787 0 40 IFAB COc1ccccc1CNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 10220817 ZZXLLSZKSNPYNA-UHFFFAOYSA-N 428.286 2.998 0 40 IFAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 12321882 WADVTMGOWRZZCC-UHFFFAOYSA-N 430.505 2.847 0 40 IFAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 12551781 YDRUWIGTLFUMRZ-IAGOWNOFSA-N 432.542 2.765 0 40 IFAB CCOc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N(C)OC)ccc2Cl)cc1 12786229 VDGUOBVHQXPVOK-UHFFFAOYSA-N 442.921 2.729 0 40 IFAB O=C(Nc1ccc(F)cc1F)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 12961185 RCWZUPBKSRJPLE-FQEVSTJZSA-N 433.480 2.726 0 40 IFAB CC[C@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 13063299 IYGHVJDSJJTHNF-AWEZNQCLSA-N 432.448 2.923 0 40 IFAB O=C(NCc1ccco1)C(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 15554048 GRXZMKPPCKZNOU-PLRJNAJWSA-N 436.855 2.617 0 40 IFAB Cc1ccccc1NC(=O)CSc1c(CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 15883657 BEZRJQGSYMMWCQ-UHFFFAOYSA-N 426.542 2.870 0 40 IFAB CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(F)cc1 16678326 RHXVKTUSSAOBEW-UHFFFAOYSA-N 439.940 2.839 0 40 IFAB Cc1cc(C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c(C)n1C1CC1 16695216 YDFYKHQZSSTIKR-IBGZPJMESA-N 436.574 2.945 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)s1 16708843 JJSWKMOUDNKZFL-UHFFFAOYSA-N 438.962 2.990 0 40 IFAB NC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)c2ccc(O)nn2)C1 19331310 JRZADKLYMZTZFV-DEOSSOPVSA-N 434.471 2.939 0 40 IFAB O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)C1 19336702 HYUVTUBBICEMDR-SJLPKXTDSA-N 442.534 2.915 0 40 IFAB O=C(c1ccccc1)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19368761 VLSJGDBTBOWMMA-NRFANRHFSA-N 432.528 2.910 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2N1 19520682 MGHNZQZAGVVGQK-QHSBEEBCSA-N 434.484 2.679 0 40 IFAB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)c2c1C 19650188 LIVABMCACROXOO-UHFFFAOYSA-N 428.470 2.540 0 40 IFAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCN2C(=O)COc2ccc(F)cc2)C1 19707904 XHYISGRJPWTQCU-QGZVFWFLSA-N 445.495 2.910 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4cnn(C)c4)nc32)cc1 19744343 JEUCKLJNVSPBQG-HXUWFJFHSA-N 446.511 2.594 0 40 IFAB COc1ccccc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 19758557 QGXJVXYSIOMHOJ-UHFFFAOYSA-N 447.539 2.849 0 40 IFAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCC(C(N)=O)CC3)nn1-c1ccccc1)C2 20720894 WBQHAQZZHUXFBT-UHFFFAOYSA-N 446.507 2.798 0 40 IFAB O=C(CN1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1)NCc1ccccc1 22285691 VNEUQDQJLHLBJY-UHFFFAOYSA-N 436.339 2.833 0 40 IFAB COc1ccc(CCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1OC 22386089 IHEFEMICRHLVBZ-UHFFFAOYSA-N 434.558 2.754 0 40 IFAB O=C1CN(C(=O)CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc2N1 22797502 UVIHPGWJVHEXQF-UHFFFAOYSA-N 432.446 2.808 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 22971565 QJZOLZLCTFLHNT-NYYWCZLTSA-N 428.432 2.822 0 40 IFAB COc1ccccc1CCC(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 23076350 LEHRHMDJUKSKAG-KRWDZBQOSA-N 437.496 2.996 0 40 IFAB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 23508604 QHDPIHOCWYFNLR-FMAYLGMYSA-N 438.524 2.993 0 40 IFAB NC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1 24761929 MTPLTSWDIXDXBY-UHFFFAOYSA-N 429.523 2.620 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 31066193 VKLGORLOQRKCQY-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 31517063 NSEAGHWYWDERQT-ZDUSSCGKSA-N 447.285 2.993 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)n1N 32957525 HWAPRWJVMBDQEV-UHFFFAOYSA-N 443.529 2.729 0 40 IFAB CN(CC(=O)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ncccn1 40087938 SJAVAUUVWLSDSC-HNNXBMFYSA-N 441.538 2.957 0 40 IFAB Cc1oc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1S(=O)(=O)N1CCCC1 40131031 SGYBDEGRPLDPEP-UHFFFAOYSA-N 442.497 2.589 0 40 IFAB Cc1oc(C(=O)NCCNc2ncc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 40154660 BXRKCDHSMKEJSW-UHFFFAOYSA-N 447.344 2.916 0 40 IFAB Cc1cccc(CSCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 44900406 URTFKGFESMYCTQ-UHFFFAOYSA-N 439.578 2.797 0 40 IFAB COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)cc1 49406339 IKQBHJSUNFVOBK-UHFFFAOYSA-N 433.512 2.927 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)N[C@H](C)c4ccc(F)cc4)ncn3n2)cc1 51316950 HMJSPYNDPPCXSO-OAHLLOKOSA-N 435.459 2.973 0 40 IFAB CCCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945449 IEYWMZCNSPVHGX-HXUWFJFHSA-N 430.524 2.705 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)C3(NS(C)(=O)=O)CCCCC3)cc2F)C[C@@H](C)O1 58416137 RJSRFNXBYRYRMM-GASCZTMLSA-N 427.542 2.630 0 40 IFAB CCOC(=O)[C@H](CSC(=O)c1ccc(CO[N+](=O)[O-])cc1)NC(=O)c1ccccc1 68605748 WDOLSUUZMQRGNR-KRWDZBQOSA-N 432.454 2.630 0 40 IFAB biogenic CCCOc1c(Br)cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1OC 72272938 RQXWKBYNOWRJHK-HNNXBMFYSA-N 442.398 2.860 0 40 IFAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CN2CCCCCC2)cc1 72377104 OOJILMYXFQQGMU-HXUWFJFHSA-N 436.560 2.754 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cn2cncn2)C1 72391202 UFAPRRLTNCRMBV-HSZRJFAPSA-N 437.569 2.994 0 40 IFAB CNC(=O)c1cccc(-c2noc(C3CN(S(=O)(=O)c4cccc(Cl)c4C)C3)n2)c1 77191234 CIOICZLHZCZNDU-UHFFFAOYSA-N 446.916 2.846 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@@H](C)Cc3ccc(O)cc3)CC2)c(F)c1 79099699 HTXLSOHVOMAEKB-KRWDZBQOSA-N 427.520 2.946 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(Br)cc3)C2)cc1 95454851 KQZSDCBIWIABAY-UHFFFAOYSA-N 440.319 2.652 0 40 IFAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3c(C)nn(CC)c3C(=O)OC)cc2)c1C 95983215 RJCXIUUKMMKPLJ-UHFFFAOYSA-N 439.472 2.921 0 40 IFAB O=C(C1[C@H]2CCCC[C@H]12)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C1 100239295 CZRQCSFQSMBRPC-QYZOEREBSA-N 433.556 2.888 0 40 IFAB CCc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@@H]32)cc1 101168907 BENCHFZVYZZRJZ-RBUKOAKNSA-N 441.875 2.843 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1Br 105436244 JHNVNOGLOUZHRL-UHFFFAOYSA-N 435.340 2.699 0 40 IFAB Cc1cccc(N(CCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 113955503 DNSUBGJLKQHUCR-UHFFFAOYSA-N 444.601 2.932 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222959371 COLNUGUNLZZJCV-OAQYLSRUSA-N 445.585 2.641 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 224126228 PZKFYCCCKHECTP-HNNXBMFYSA-N 438.571 2.621 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(CN2CCCCC2)c1 224686778 LXOSCJVBHHEQBL-UHFFFAOYSA-N 441.553 2.524 0 40 IFAB COCCNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)n1 225899559 XGOFPSRUBGCJGX-UHFFFAOYSA-N 440.495 2.755 0 40 IFAB Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)[C@H]3Cc2ccccc2)c(=O)n1 257266473 MDEFRSYAHLKIFB-FMLGWJCWSA-N 434.584 2.945 0 40 IFAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ncccn3)n2C)C(C)C)cc1 409175101 PVBWXRSVCWWGKH-KRWDZBQOSA-N 439.545 2.771 0 40 IFAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148508 PEHQELHAERQSJS-UHFFFAOYSA-N 435.406 2.508 0 40 IFAB COCCN1C(=O)CCC[C@@H]2[C@H]1CCCN2CC1(O)CCN(c2ccc(F)cc2)CC1 585284026 QQZOMQXTFHHEFS-FGZHOGPDSA-N 433.568 2.649 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccccc2)no1 604419014 KAYLYBNYRZLKCL-IQOKHDRSSA-N 432.480 2.895 0 40 IFAB O=C(O)C[C@@H]1COCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 675094986 BEOSQIDSTNBSEK-APWZRJJASA-N 430.888 2.903 0 40 IFAB CC(=O)OCC(C)(COC(C)=O)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 1642066 HHQBIFUBJNKSFA-BWWMBTDCSA-N 447.487 2.764 0 40 IFAB Cc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3430636 GHZLMFACOZODLQ-UHFFFAOYSA-N 428.466 2.862 0 40 IFAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 4522134 QNFJSZLAVLYOII-FZKQIMNGSA-N 434.518 2.518 0 40 IFAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 8587403 AITNIQPKLSYMNP-UHFFFAOYSA-N 445.560 2.716 0 40 IFAB O=C(O)c1ccc(C[n+]2nn(Cc3ccccc3)c(O)c2C(=O)NCc2ccccc2)cc1 8773578 TVMPOILLFFJRLW-UHFFFAOYSA-O 443.483 2.601 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)C2CCCCC2)cc1Cl 9191324 SWTMUNWUTGVAPK-MRXNPFEDSA-N 444.981 2.967 0 40 IFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9495255 UGBLBUIWPQHUAO-KRWDZBQOSA-N 425.416 2.777 0 40 IFAB Cc1ccccc1-n1c(SCc2nnnn2-c2ccccc2)nnc1N1CCOCC1 9864147 BFCJEBWGQMMZBM-UHFFFAOYSA-N 434.529 2.680 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 9992313 NTYLVPDNSZXZDL-DEOSSOPVSA-N 435.480 2.594 0 40 IFAB COc1cc([C@@H]2NC(=O)NC3=C2C(=O)N(CCCc2ccccc2)C3)cc(OC)c1OC 11665671 ASMCUSJPMRUNOQ-NRFANRHFSA-N 437.496 2.795 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccccc3F)CC1)NC2=O 12086541 XLEMGYUUEKODHW-GYCJOSAFSA-N 438.503 2.703 0 40 IFAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12789910 OPQXIBCUMOJAHA-UHFFFAOYSA-N 443.500 2.946 0 40 IFAB C[C@@H]1CCc2c(sc3ncn(C[C@@H](O)COCc4ccc5c(c4)OCO5)c(=O)c23)C1 12910280 JXFGKSKJNKSNLU-UKRRQHHQSA-N 428.510 2.889 0 40 IFAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccc(Cl)cc1 12992674 MFBZTXWNMAIUQQ-SFHVURJKSA-N 428.964 2.943 0 40 IFAB O=C(NCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 13127868 VBGUXTVILJAYNN-RDJZCZTQSA-N 441.429 2.745 0 40 IFAB CN1CCN(C(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)CC1 13382136 UBIDLTHYPKQOQS-UHFFFAOYSA-N 433.390 2.531 0 40 IFAB CCn1c(SC)nnc1[C@H]1CCCN(CC(=O)Nc2ccccc2N2CCOCC2)C1 13565192 ODZQRPUZDCIDIV-KRWDZBQOSA-N 444.605 2.675 0 40 IFAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1 13567085 BZXJVXYXBYTQNI-UHFFFAOYSA-N 436.555 2.755 0 40 IFAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N4CCC(C(N)=O)CC4)cc3)cc2c1 13719223 RJOOQYCBUGQXIS-UHFFFAOYSA-N 436.464 2.571 0 40 IFAB O=C1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)NC(N2CCN(c3ccccc3)CC2)=N1 14607014 ZEFLVRDVNAJMAC-GOSISDBHSA-N 445.445 2.711 0 40 IFAB COc1ccc(NC(=O)C(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1Cl 16955202 BJSKJLQNSCTDLY-FQEVSTJZSA-N 431.920 2.867 0 40 IFAB O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19339361 AOYVXFBJGOVNSV-HXUWFJFHSA-N 435.553 2.691 0 40 IFAB Cc1ncc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c(C)n1 19552539 XQPLUMLFLARVAQ-NRFANRHFSA-N 426.480 2.953 0 40 IFAB Cc1nnsc1C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 19563396 BLRDFKVDFMZQJQ-UHFFFAOYSA-N 434.525 2.926 0 40 IFAB CN(CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1)Cc1ccc(F)cc1 19709847 HBLSRUOAEIELFE-FQEVSTJZSA-N 428.556 2.587 0 40 IFAB O=C(Nc1ccc(F)cc1)c1cccn(CC(=O)N2CCCC[C@H]2CN2CCCC2)c1=O 19750346 WTXKYWRAQOWIHW-FQEVSTJZSA-N 440.519 2.717 0 40 IFAB Cc1cnc(C(=O)N2CCC(Cc3ncncc3C(=O)NCc3ccccc3F)CC2)cn1 19756775 AUNOIWXXNAAIGM-UHFFFAOYSA-N 448.502 2.739 0 40 IFAB COc1cccc(N2C(=O)/C(=C/NCC(C)(C)N3CCOCC3)c3ccccc3C2=O)c1 20664336 BQARVGUWXQQUCB-CJLVFECKSA-N 435.524 2.924 0 40 IFAB COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)n[nH]2)cc1S(=O)(=O)N(C)C 21806332 CZVXTACQPACCIC-UHFFFAOYSA-N 428.514 2.574 0 40 IFAB O=C(c1ccccc1I)N1CCN(C(=O)N2CCCCC2)CC1 22476442 ZFBXERXWHPXYBB-UHFFFAOYSA-N 427.286 2.655 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 24289786 LTRXVNQQEOUJTJ-UHFFFAOYSA-N 445.516 2.992 0 40 IFAB CC(C)(C)OC(=O)NC1(CNC(=O)CCn2nnc3ccccc3c2=O)CCCCCC1 24495581 LJVOXNFWHJICIF-UHFFFAOYSA-N 443.548 2.916 0 40 IFAB O=C(CCN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1Cl 24854452 WHJLHAVXZBUIPG-UHFFFAOYSA-N 443.903 2.953 0 40 IFAB O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 40069449 YHPBGGLZYPYWQG-OAQYLSRUSA-N 431.536 2.949 0 40 IFAB C[C@]12CCC(=O)N1[C@@H](C(=O)NC1CCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 40134442 UPCCZQSAXWKURL-KDOFPFPSSA-N 428.480 2.639 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 48309430 JMECWIFXTNSHJA-QGZVFWFLSA-N 433.549 2.921 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@H]1c1ccc(OC)cc1 49605843 ADFFSZVJACTIJC-RBBKRZOGSA-N 429.561 2.712 0 40 IFAB COc1ccc(-c2noc(CN3CCN(Cc4nccn4CC(F)(F)F)CC3)n2)cc1 58356750 LNGHSXOTPXJFSA-UHFFFAOYSA-N 436.438 2.822 0 40 IFAB CNC(=O)c1ccc(CN(C)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1 58392484 UKKNKADKTJFWQF-UHFFFAOYSA-N 444.557 2.885 0 40 IFAB Cc1cc(CN2CCN(CC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)no1 71810690 CMXXHLBHZLOLKL-JOCHJYFZSA-N 445.995 2.707 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@@H]3CCO)ccc2Cl)C1 89929825 YWQPFIFRIUSSQQ-HOCLYGCPSA-N 447.022 2.701 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1Cl 100033040 SFHMKYVPEYZSNF-MSOLQXFVSA-N 427.848 2.589 0 40 IFAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1cccnc1 223134067 AOSVNYYXTIDCSH-XZOQPEGZSA-N 448.596 2.880 0 40 IFAB CCc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224314429 MZVMSINQKUSWDE-UHFFFAOYSA-N 432.542 2.608 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cc[nH]n3)C2)nc2c1CCC(=O)N2CCc1ccccc1 257245678 IQOYBCZBGSKGRK-SFHVURJKSA-N 430.512 2.660 0 40 IFAB CC(=O)N[C@@]12CCNC[C@@H]1[C@@H](c1ccccc1)N(C(=O)c1cc3cc(F)ccc3n1C)C2 257329587 XKQMVLZKAVLDCB-QFZRFWILSA-N 434.515 2.999 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)cc1 408562050 XIWDEEMGRIOGTD-GOSISDBHSA-N 432.542 2.811 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)c(OC)c1 408673323 ZYSHPGOMNRTWRK-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccccc3OCC(=O)O)C2=O)cc1 409213795 TWSGHYSMXQNAJZ-ZDLGFXPLSA-N 440.477 2.811 0 40 IFAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409376852 DKPMYLHCVVBHQP-MRXNPFEDSA-N 441.875 2.850 0 40 IFAB O[C@@H](C1CCN(c2cc(N3CCC([C@H](O)C(F)(F)F)CC3)ncn2)CC1)C(F)(F)F 533335527 SVNAULIAYVKKFR-HOTGVXAUSA-N 442.404 2.756 0 40 IFAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 548109316 VWNFIACWJAYPBV-LJQANCHMSA-N 446.473 2.983 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(I)c2)[C@H](c2ccccc2)C1 610081261 NFBYKXJWVGNHAY-KRWDZBQOSA-N 442.322 2.969 0 40 IFAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccncc2)n1)Nc1ccc(F)c(F)c1 1775964036 OWNUIXVHKHLIHC-INIZCTEOSA-N 428.399 2.928 0 40 IFAB biogenic,in-vitro Cc1nc(C)n(C[C@@H](C)C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccc(F)c3)c2)n1 1848351754 ACYFJQWRQWOYKU-WAIKUNEKSA-N 449.530 2.907 0 40 IFAB COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1 2649862 KMCARZDEUSLZQH-UHFFFAOYSA-N 448.526 2.523 0 40 IFAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2Br)n1 3346339 LYRSRVSUVUULMS-UHFFFAOYSA-N 434.113 2.608 0 40 IFAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H](C)O1 3353416 STSYDKZAZRNIJR-MGPQQGTHSA-N 434.890 2.900 0 40 IFAB CCN(CC)CCCNC(=S)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4132879 RMBXDGWCJVQIPD-UHFFFAOYSA-N 432.634 2.936 0 40 IFAB COc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](n4cc(CC5CCCCC5)nn4)CO[C@H]23)cc1 5409742 JJROYFCOPWJMRO-FNAHDJPLSA-N 426.517 2.547 0 40 IFAB biogenic,in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 8432639 LSQBWNAZHMKJMI-GTENMVSRSA-N 426.469 2.839 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 8788694 QSMPYFQFROLBBF-JXMROGBWSA-N 429.469 2.636 0 40 IFAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 9305174 RREVFILYIRQLJU-UHFFFAOYSA-N 440.953 2.500 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)c1 9340481 YIZDFQHPOKSVMG-IZZGNVEXSA-N 448.475 2.797 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12C(=O)Nc1ccc(F)cc12 9446600 HZDYOIJXRNORLZ-QHCPKHFHSA-N 434.427 2.684 0 40 IFAB Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2n1 9509800 UPATWNSHMMMERP-UHFFFAOYSA-N 427.482 2.589 0 40 IFAB CCc1cccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2N2CCOCC2)c1 9726593 DEHNQVZMWRYPCD-UHFFFAOYSA-N 449.540 2.521 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccco2)cc1 9740180 LNWLNJUPPVCERE-IBGZPJMESA-N 430.457 2.997 0 40 IFAB CN(C)[C@@H](CNC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1)c1ccco1 9767931 XURFDUIKGGOEQY-ZDUSSCGKSA-N 426.370 2.738 0 40 IFAB Cn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nnc1-c1ccco1 9951381 SZGFCZIFNJIRDC-UHFFFAOYSA-N 432.527 2.762 0 40 IFAB CCCn1c(C)cc(C(=O)COC(=O)CSc2ncc(C(=O)OCC)c(N)n2)c1C 9988452 QABOHBJMPBATKW-UHFFFAOYSA-N 434.518 2.582 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 10280976 LUNDZENRBOLBFH-UHFFFAOYSA-N 440.562 2.958 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)cc(OC)c4)ncn3n2)cc1 11666435 QNFWECVBKFHIFY-UHFFFAOYSA-N 449.467 2.613 0 40 IFAB COc1ccc(C(=O)CSc2nc(C3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 12140400 DPXJRWZXUZRSJG-UHFFFAOYSA-N 440.525 2.668 0 40 IFAB Cn1c(SCC(=O)NCc2ccccc2)ncc(C(=O)Nc2ccc(F)cc2)c1=O 12236828 NZSXQUPKFFCFKO-UHFFFAOYSA-N 426.473 2.580 0 40 IFAB COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 12391649 JNYSSHBMTUEGSF-INIZCTEOSA-N 428.514 2.521 0 40 IFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 12585151 XPRVMOWQJUBJFU-UHFFFAOYSA-N 444.534 2.821 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3nc4ccccc4o3)CC2)cc1 12770782 VHBVZZLWKYVEBW-UHFFFAOYSA-N 429.498 2.900 0 40 IFAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12783383 BPEFGSDAHBUMDN-OAHLLOKOSA-N 438.908 2.563 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 12793879 IUSZGJURWRLKBI-GOSISDBHSA-N 431.558 2.732 0 40 IFAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 12806509 FBSDJVUDUSCEKI-LJQANCHMSA-N 431.489 2.510 0 40 IFAB CC[C@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1CCN1CCOCC1)N(C)C 12897556 RYOFMDZERJLQMB-OAQYLSRUSA-N 444.649 2.775 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 14235350 NBQLVSLQOGTUOW-IRXDYDNUSA-N 437.587 2.695 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 14900007 FCPTUGPIKDESRF-SNVBAGLBSA-N 434.378 2.661 0 40 IFAB Cc1noc(CCC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)n1 19741554 CEQGERNMQMPKOA-KRWDZBQOSA-N 438.532 2.504 0 40 IFAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Br)cc1 20021428 SICJDNHMRADZLB-ZDUSSCGKSA-N 441.347 2.956 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1cccc(C)c1 20801358 JGQSGLPHHUCJOI-FCHUYYIVSA-N 434.540 2.519 0 40 IFAB COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)c1 21155721 MIUYFCWGUMHAPA-QHCPKHFHSA-N 432.524 2.888 0 40 IFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)c1 21371014 XOONQTUCBLDLFI-UHFFFAOYSA-N 431.466 2.765 0 40 IFAB COc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)S(C)(=O)=O)c1 22332371 DCEKTFKGLZYGMR-LJQANCHMSA-N 448.541 2.888 0 40 IFAB COc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)S(C)(=O)=O)cc1 22332720 WJKSSFJWWVSBPL-LJQANCHMSA-N 448.541 2.888 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 23681106 QXDGBTLUKVWMQR-YLJYHZDGSA-N 437.587 2.562 0 40 IFAB CN(Cc1cccc(F)c1)C(=O)CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 32929819 LXZDWNNEWWKEAL-UHFFFAOYSA-N 427.881 2.824 0 40 IFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1n[nH]c(=O)c2ccccc12 32960715 DZHLCJBCXBOVMX-UHFFFAOYSA-N 432.889 2.613 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc(Br)c1)O2 38833968 UDCBXPBLJDGRSQ-MRXNPFEDSA-N 425.304 2.923 0 40 IFAB COc1ccc(C(=O)NCCNC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1 48300038 CGOXUIQMOTYBEM-UHFFFAOYSA-N 442.466 2.865 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)NCc4ccccc4Cl)c(=O)n3c(C)n2)cc1 49407203 PXZFAAFYJFIZFG-UHFFFAOYSA-N 437.887 2.845 0 40 IFAB O=c1oc2cc(Cl)ccc2n1CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 58160780 RBQXRPJTVLPGPW-UHFFFAOYSA-N 439.896 2.741 0 40 IFAB Cc1nc(-c2cccc(NC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cs1 58166532 GIGOMAOORFSWGM-KBPBESRZSA-N 438.575 2.679 0 40 IFAB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N[C@@H](CN1CCCC1=O)c1ccccc1 58248309 LLUHHLZFRVTXHE-NRFANRHFSA-N 436.512 2.644 0 40 IFAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(OC)ccc2OC)c1C 71327300 SOIPOVVAIVIILH-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB COc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321241 BRXUPIUIJISVOC-ZJSXRUAMSA-N 447.491 2.804 0 40 IFAB biogenic,in-vitro FC(F)(F)c1ccc2c(c1)nnn2[C@@H]1CCCN(Cc2cnc(N3CCOCC3)nc2)C1 72347976 FOFFHHGIFWLNLD-QGZVFWFLSA-N 447.465 2.914 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3sc(-c4cccs4)nc3C)n2)n1 77196928 FXLCAEDUXLYISU-UHFFFAOYSA-N 440.554 2.969 0 40 IFAB C[C@@H]1CN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CCN1C1CCN(C)CC1 95455954 QQVXLYFBMORURZ-MRXNPFEDSA-N 446.393 2.875 0 40 IFAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102858772 JMGMPYKPDRIXKE-CHWSQXEVSA-N 438.311 2.732 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 219222312 NMBWEMMEBXAWRA-UHFFFAOYSA-N 442.497 2.693 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 220334610 NVXMPDYSQICZSE-LJQANCHMSA-N 445.585 2.503 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 223672959 MJWSQZIIQFWWMH-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccccc1)O2 224489430 FNYFHDYARVJXGB-FQEVSTJZSA-N 432.542 2.706 0 40 IFAB COc1ccccc1N(CCCC(=O)Nc1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O 224827762 IEEGGEZOCQQHCD-UHFFFAOYSA-N 433.530 2.582 0 40 IFAB COc1ccc(OC)c(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 224870749 JWJUSOQDKNPGGD-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB O=C(NCCCN1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225533918 IQKXLOWPZKVQGX-SFHVURJKSA-N 425.570 2.609 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2nnc(-c3ccccc3)s2)Oc2ccccc21 225642301 PNMVIGGLINDTME-INIZCTEOSA-N 430.511 2.761 0 40 IFAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 226649587 LRHOREJRTCMJCN-HULNYRCFSA-N 447.443 2.619 0 40 IFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOCc1ccccc1)S(C)(=O)=O 260841717 BXBSHROPXOJOLO-OAHLLOKOSA-N 440.949 2.836 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccc(OC)cc2)cc1Cl 408611363 WUARZUMDKKJZEC-AWEZNQCLSA-N 440.949 2.773 0 40 IFAB Cc1c(Cl)cccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 409025515 WGTJOZSHEILYCK-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCC(N)=O 409219979 SHZJWPSSFAZSIG-ODLFYWEKSA-N 440.477 2.869 0 40 IFAB C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CCN1C(=O)Cc1ccc2c(c1)CCCO2 585097045 FCWHXVZFDCGGPG-QGZVFWFLSA-N 448.523 2.806 0 40 IFAB Cc1c(NCC(C)(C)[C@]2(O)CCCOC2)ncnc1NCC(C)(C)[C@]1(O)CCCOC1 630094479 ICONRFCJJXXWMS-GOTSBHOMSA-N 436.597 2.744 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4cccc(C(F)(F)F)c4)C3)n2)n1 1565523686 XIWULJYHTJZHOE-UHFFFAOYSA-N 431.418 2.837 0 40 IFAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)Nc2ccccc2Cl)CC1 1772595366 PSWYJPFHLHPQPH-LJQANCHMSA-N 431.968 2.532 0 40 IFAB Cc1cc(C)c2cc(CN(CCCN(C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 4162011 VXADBPQZFHBQSI-IBGZPJMESA-N 430.618 2.952 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 9128826 LIXLMKGVTQIFEU-KRWDZBQOSA-N 446.525 2.508 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 9304327 RCZKHSSCZFZJHL-ZDUSSCGKSA-N 432.527 2.739 0 40 IFAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9726504 GGTTYOUPSATQFA-AWEZNQCLSA-N 438.550 2.661 0 40 IFAB CCOc1ccc(-c2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)n2N)cc1 9861674 DVQXFEMAFVXFMQ-UHFFFAOYSA-N 433.559 2.600 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nn1-c1ccccc1F 9993357 BLFQHOPMJHASAJ-UHFFFAOYSA-N 447.470 2.800 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1n1c(-c3c(F)cccc3Cl)nnc1n2Cc1ccc(F)cc1 10965904 RRKMBXOLAWYZDY-UHFFFAOYSA-N 442.813 2.718 0 40 IFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(S(=O)(=O)CC)C1 12156721 NRFPUAWEXXZEHZ-XLIONFOSSA-N 426.510 2.704 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)c(OC)c1 12230940 SMKOLQVQWRMKME-UHFFFAOYSA-N 442.443 2.715 0 40 IFAB CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)[C@@H]1CCS(=O)(=O)C1 12633926 YCYNWJPFANYRIM-CRAIPNDOSA-N 434.587 2.825 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2ccccc2)CC1 13073468 USSGKDMMYYWYIY-UHFFFAOYSA-N 427.570 2.583 0 40 IFAB COc1ccc(CNC(=O)Cn2c(SCC(=O)NC(C)C)nc3ccccc32)cc1 13082947 WVUOZIPUBFAVBT-UHFFFAOYSA-N 426.542 2.978 0 40 IFAB O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 13149397 UCWAFPKSDIPGHA-SFTDATJTSA-N 433.476 2.969 0 40 IFAB O=C(CSc1nncn1-c1ccccc1F)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13398625 MRZPTVUFOKTEFW-QGZVFWFLSA-N 439.472 2.792 0 40 IFAB C[C@H]1C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(=O)N1c1ccc(Cl)cc1 14159493 ZWMJNOPMJLRWAJ-ZDUSSCGKSA-N 428.876 2.838 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)c2ccccc2SCC(=O)N(C)C)[C@@H]1C 14185580 GIRBUONXRWSUBU-INMHGKMJSA-N 449.573 2.674 0 40 IFAB COc1ccc(COC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC 14247489 GVIYQPKSQZBMAB-MRXNPFEDSA-N 444.509 2.608 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)NC3CCCC3)CC2)cc1C 14253793 NSJHCYQMDHIITF-KRWDZBQOSA-N 436.574 2.695 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cncc(Br)c3)CC2)cc1 14393982 IPWVQULSCMYRKR-UHFFFAOYSA-N 438.347 2.736 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 16699078 KEWTZVCRCNGCSZ-UHFFFAOYSA-N 429.524 2.831 0 40 IFAB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 18219717 ZYQNSJJSVZYJKZ-GFCCVEGCSA-N 438.488 2.974 0 40 IFAB CCc1nnsc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 19521899 RHYUZLBMCGNEHQ-GOSISDBHSA-N 432.509 2.960 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)COc4cccc(F)c4)CC3)c(=O)c2c1C 19561374 PASRWTMEGVHGDN-UHFFFAOYSA-N 445.516 2.646 0 40 IFAB Cc1nc([C@@]2(O)CCCN(C(=O)CN3CCCC3=O)CC2)sc1COc1ccccc1 19705344 LMINZKTWSZMHFR-HSZRJFAPSA-N 443.569 2.853 0 40 IFAB Cc1noc(C)c1CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 19759169 QVMKNGJSKUOSSN-UHFFFAOYSA-N 449.555 2.979 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)nc2)N2CCOCC2)cc1OC 21199955 HBYRENQBFOIKFA-INIZCTEOSA-N 439.434 2.921 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1OC 22517353 CBLUVDMDQLLZDK-CQSZACIVSA-N 434.514 2.550 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)cc1 23025679 LASBKMGQRYTFAQ-UHFFFAOYSA-N 432.514 2.816 0 40 IFAB O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@H](O)CN1CCOCC1 24989918 KGTXAUYYVPVBJA-QGZVFWFLSA-N 444.329 2.519 0 40 IFAB O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 25286983 DEVMAVYMSVFLEO-UHFFFAOYSA-N 435.390 2.648 0 40 IFAB NC(=O)C1CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)CC1 25397813 UBPYMIWVFZUGCH-UHFFFAOYSA-N 437.569 2.892 0 40 IFAB O=C1N[C@H](CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C(O)=Nc2ccccc21 35686229 UXZNMIRMFSIOMA-GOSISDBHSA-N 427.888 2.940 0 40 IFAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 37503513 WEFOLVTZWYTPIB-SJCJKPOMSA-N 448.324 2.643 0 40 IFAB Cc1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1Br 38850312 QAQGNSOBQRAWHY-INIZCTEOSA-N 425.304 2.923 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CN2CCCCC2)cs1 40037697 YDQNAIDKMNANIK-CYBMUJFWSA-N 426.539 2.574 0 40 IFAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c(Cl)c1 40478083 ZHFZVGNFSOMVJL-UHFFFAOYSA-N 444.829 2.915 0 40 IFAB COc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(F)cc4)ccc3=O)CC2)c1 41252923 RBDPLZSPVGNXCC-UHFFFAOYSA-N 436.487 2.797 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1C 44911756 CPVVVMCIJHMKAE-IBGZPJMESA-N 432.498 2.728 0 40 IFAB O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)Nc1ccc(Br)cc1 45970559 DSHGVDPWFPALTR-UHFFFAOYSA-N 434.319 2.854 0 40 IFAB COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O 49581392 AFJKQBSTILPNIU-QGZVFWFLSA-N 441.915 2.686 0 40 IFAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)COCCN3CCCC3=O)n2)n1 72375548 FHSRSEINMVFQMY-LJQANCHMSA-N 438.532 2.535 0 40 IFAB CCn1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)cn1 72399215 FNVQZONCURVEAO-HXUWFJFHSA-N 440.592 2.728 0 40 IFAB O=C(Nc1ccc(Br)cc1F)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O 77099860 TWLMDWQYXMUQCQ-UHFFFAOYSA-N 436.212 2.878 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2ccccc2I)C1=O)N1CCCC1 108262591 ZXUKYJZMDHQAHL-UKTHLTGXSA-N 442.278 2.950 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(F)cc1)S(C)(=O)=O 219117976 OWESQURUAYPEBE-QGZVFWFLSA-N 432.477 2.737 0 40 IFAB COCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222883513 OGUNBQDZFNQAHL-QGZVFWFLSA-N 446.519 2.955 0 40 IFAB COC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3)no2)ccc1Cl 223910474 NKHKENARKMNYDI-UHFFFAOYSA-N 437.861 2.664 0 40 IFAB CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)c1F 253473223 SSGLMYBSPCTXAX-VIFPVBQESA-N 436.328 2.844 0 40 IFAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)C(C)(C)OC)CC3)[nH]c2C(N)=O)cc1 257277710 NZBWZHNALXYJPU-KOMQPUFPSA-N 428.533 2.999 0 40 IFAB Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)COCCN3CCCC3=O)C2)n1 257286434 PLOYYKOUZUDEIP-KRWDZBQOSA-N 441.507 2.623 0 40 IFAB O=c1c(=O)n2c(nn1Cc1cccs1)[C@@]1(CCN(Cc3ccc(Cl)cc3)C1)CC2 306130507 JIONJBOTXJJXOB-NRFANRHFSA-N 428.945 2.716 0 40 IFAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N1 409040299 SZAPIFXRJIQJPE-JAORQVBISA-N 448.500 2.527 0 40 IFAB COc1ccc2nc(C[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 514288404 CUWYQFVSVARFER-HOTGVXAUSA-N 443.525 2.916 0 40 IFAB biogenic,in-vitro CSCC[C@@H](C(=O)NC1CC(C)(C)NC(C)(C)C1)n1c(O)nc2ccccc2c1=O 524732289 HBXRLONHYIOHGZ-KRWDZBQOSA-N 432.590 2.822 0 40 IFAB COCc1noc([C@H](C)N2CCC[C@@]3(CCCN([C@H](C)c4nc(COC)no4)C3)C2)n1 583052482 BCHKVYOUIJZDTG-VWKPWSFCSA-N 434.541 2.746 0 40 IFAB CC(=O)N1CCCN(Cc2ccccn2)CCCN(C(=O)CN(C)C)Cc2ccccc21 643581227 FPDQXZANHZUMDR-UHFFFAOYSA-N 437.588 2.621 0 40 IFAB O=C(N[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2nccnc12)c1cc(F)cc2nccnc12 647620538 QEYNGKVUCCNKQC-IRXDYDNUSA-N 448.433 2.932 0 40 IFAB O=C(CCn1nc(O)c2ccccc2c1=O)N1CC(Cc2ccc(Br)cc2)C1 1558647150 VECKKQCWHZUCJR-UHFFFAOYSA-N 442.313 2.956 0 40 IFAB CSCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(F)cc4F)ccc3NC(=O)[C@H]12 8296866 XGSJFLKXDNUFHK-HKUYNNGSSA-N 431.464 2.646 0 40 IFAB biogenic,in-vitro COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccccc2N2CCOCC2)C(C)C)c1 8670949 FPBSMRYTIJPQED-QFIPXVFZSA-N 441.528 2.934 0 40 IFAB COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 8860946 BDVYVQZEQBUOEU-UHFFFAOYSA-N 430.526 2.968 0 40 IFAB CC(=O)N1N=C(c2ccc(N(C)C)cc2)C[C@@H]1N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 8863624 NDVWHSOKUWWYHL-DHIUTWEWSA-N 433.512 2.802 0 40 IFAB CCOc1ccccc1C(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 8915742 QSRZEKUXGYTTPI-QGZVFWFLSA-N 433.526 2.932 0 40 IFAB Cc1ccc(CC(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1C 9244852 NEFZUYVGEMCAFQ-UHFFFAOYSA-N 432.274 2.960 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 9297193 YADHSDUPGXGYHI-KRWDZBQOSA-N 441.919 2.647 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccccc2F)cc1 9356305 VIRYEHIMHAQOQC-UHFFFAOYSA-N 430.505 2.732 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1 9630996 WDMXVAQSOJAIOT-UHFFFAOYSA-N 447.557 2.571 0 40 IFAB C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9633129 GUZKGVPNCOUIPI-ZDUSSCGKSA-N 441.509 2.878 0 40 IFAB Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc(Cc2ccccc2)c1=O 12347915 IWOXHAGQNCTPND-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC[C@@H](c2nnc3ccccn23)C1 12391945 MNMQWOFVDIRITJ-LJQANCHMSA-N 449.536 2.567 0 40 IFAB CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 12406443 WLZITUKKHHQEKY-BLDNINTCSA-N 429.263 2.751 0 40 IFAB biogenic Cc1cccc(OCC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1 12462852 NYAAIMXAEFHHNC-UHFFFAOYSA-N 438.915 2.922 0 40 IFAB O=C(Nc1ccccc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O 12483490 VKLCWLNJXNQWEQ-ZSXJVMONSA-N 437.540 2.616 0 40 IFAB biogenic,in-vitro C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F 12520029 QOHVAAORUMCCEH-LLVKDONJSA-N 429.470 2.874 0 40 IFAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(OC(F)(F)F)cc1 12560982 ISZQKCZZUWPUGK-UHFFFAOYSA-N 436.433 2.827 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 12975631 BQJPGOPKMLPBDR-UHFFFAOYSA-N 445.629 2.695 0 40 IFAB COc1ccccc1COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 13039240 MTOWAVNLMOTEFK-UHFFFAOYSA-N 431.514 2.508 0 40 IFAB CCCN(CC(=O)Nc1sccc1C(N)=O)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13096428 QRWGLWGEQUSANU-UHFFFAOYSA-N 433.921 2.588 0 40 IFAB COc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1S(=O)(=O)N1CCCC1 13096775 ANFFDMPBAPNZEO-LJQANCHMSA-N 431.558 2.512 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 13668757 NHGWARJRPXEGNL-UHFFFAOYSA-N 442.965 2.930 0 40 IFAB CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 15927950 SRSMBLYPSDDJFI-UHFFFAOYSA-N 435.409 2.814 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cncc(Br)c1 17360448 AYIQYKOQPUKWSM-UHFFFAOYSA-N 426.292 2.587 0 40 IFAB Cn1c(SCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)nnc1C(F)(F)F 18975576 SKFSKULEYCMRFO-UHFFFAOYSA-N 439.916 2.985 0 40 IFAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)Cn4nc(C)ccc4=O)CC3)cc2n1 19522456 YENHENFAMRFERY-UHFFFAOYSA-N 448.449 2.582 0 40 IFAB Cc1noc(C)c1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)CC1 19579877 MDJGFTVYRGSNBS-UHFFFAOYSA-N 438.532 2.826 0 40 IFAB CN(C)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccc(O)nn2)CC1 19700319 SUJAIWFTMMQZOL-UHFFFAOYSA-N 445.523 2.798 0 40 IFAB CCN(Cc1ccccc1)[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1CCOC 20083766 FGNFPNMACDNWRA-JOCHJYFZSA-N 448.527 2.781 0 40 IFAB COc1cc(C(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)cc(OC)c1OC 20789810 WDTQIZOQFUQHPS-UHFFFAOYSA-N 427.862 2.583 0 40 IFAB COc1cc(C(=O)NC[C@H]2CCCO2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253329 HUIBQUUTEBYENS-QGZVFWFLSA-N 448.541 2.579 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)c1 24193356 QQWZXTBWRUCKCA-UHFFFAOYSA-N 427.526 2.759 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3ccco3)C2)cc1 26111170 GJSPERZDKSHJEU-MRXNPFEDSA-N 438.571 2.739 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(I)cc1 27383947 KIQKQBBONMPURX-LLVKDONJSA-N 444.294 2.772 0 40 IFAB COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)sc2C)cc1 28058552 NRIIQRKVEHSXTO-INIZCTEOSA-N 429.585 2.752 0 40 IFAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1ccccc1Cl 49544678 VRJFXMBTGUZJGO-UHFFFAOYSA-N 432.267 2.656 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 85420759 HIRQDSRUPIDXSW-MCNSXXNHSA-N 434.279 2.893 0 40 IFAB Cc1cnc2c(c1)N(C(=O)CN1C(=O)N[C@@](C)(c3ccc4ccccc4c3)C1=O)CCO2 95445554 MRWJTVXIOWYHME-DEOSSOPVSA-N 430.464 2.736 0 40 IFAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)CC1 96104199 WGXDOZLJTFTSLO-UHFFFAOYSA-N 444.488 2.825 0 40 IFAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)[C@@H]1CN(C(C)=O)C2 96143767 SNJMSZGHAMEOSL-PGRDOPGGSA-N 432.952 2.959 0 40 IFAB COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(=O)c2cc(C)on2)CC3)cc1 96146961 HRKZGUFTGXMSDA-UHFFFAOYSA-N 426.498 2.619 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101363580 HBSIGFMAIRSOTN-AJOUPAOOSA-N 449.532 2.921 0 40 IFAB COC(=O)COc1ccc(Br)cc1/C=c1\sc2nc3ccccc3n2c1=O 197855052 JAGILRJJSPSHNO-SXGWCWSVSA-N 445.294 2.771 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CCCN1CCOCC1 223169735 PYKSQRXWLFKGSS-GOTSBHOMSA-N 448.596 2.962 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4ccccc4C)no3)ccc21 224530854 KCFKXVFJRDYYJR-UHFFFAOYSA-N 426.498 2.823 0 40 IFAB CC(C)Sc1nnc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)s1 225603173 GQKSUIROKSNOCJ-ZDUSSCGKSA-N 428.561 2.594 0 40 IFAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)c1 225965576 MECNHLLUHKDXBU-UHFFFAOYSA-N 445.570 2.780 0 40 IFAB O=C(NC[C@H]1CC[C@H](C(=O)N[C@H](C(=O)O)c2ccccc2)CC1)[C@@H]1Cc2ccccc2CN1 248029135 NTLOSRFHIIJIAF-UJFGGOPNSA-N 449.551 2.566 0 40 IFAB CN(C(=O)c1c[nH]nc1C1CCN(C(=O)COc2ccccn2)CC1)C1CCCCC1 257244235 IKLRVHLENAYAFA-UHFFFAOYSA-N 425.533 2.994 0 40 IFAB Cc1nonc1CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 257248293 JCZJFZJTNLKGHW-QFIPXVFZSA-N 439.516 2.989 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 408651266 CYMFCFGTBZEMNV-QGZVFWFLSA-N 430.501 2.916 0 40 IFAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)O 408983438 BROOSYJNTPRZPQ-FQEVSTJZSA-N 425.441 2.815 0 40 IFAB COC(=O)c1cn(NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc2c(O)nnc1-2 524734053 RHEGKPDKIRZHOV-IBGZPJMESA-N 428.448 2.951 0 40 IFAB O=C(NCc1ccco1)c1cccc(CNC(=O)N2CCOC3(CCOCC3)CC2)c1 547420967 WAKXYYISKYQTGK-UHFFFAOYSA-N 427.501 2.691 0 40 IFAB CCNC(=O)c1cnn2c([C@H]3CCCN(C(=O)Cc4ccc(OC)c(F)c4)C3)ccnc12 1565554651 DBKTUEQUUOPZGH-INIZCTEOSA-N 439.491 2.575 0 40 IFAB Cc1ccc(NC(=O)CSc2nc3ccccc3o2)c(S(=O)(=O)N2CCOCC2)c1 3354130 XUZKQIJYAJPMCM-UHFFFAOYSA-N 447.538 2.888 0 40 IFAB CCCCn1c(SCc2cc(=O)n3ccsc3n2)nc2cc(S(N)(=O)=O)ccc21 6153593 FPDKVEUNICQHHO-UHFFFAOYSA-N 449.583 2.846 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1 6578076 KTASRFWXRCUZHV-UHFFFAOYSA-N 441.538 2.979 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)N2CCCC2)cc1 8724372 PKOCWSZDPQNWOM-QFIPXVFZSA-N 443.569 2.584 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1=O 9126218 RVXRKYYKQZFIFD-HXUWFJFHSA-N 435.524 2.990 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1S(=O)(=O)NC1CC1 9469165 GXIPFMAMKDQDLF-UHFFFAOYSA-N 449.960 2.752 0 40 IFAB Cc1cc(C(=O)Cn2c(=O)c(F)cn([C@@H]3CCCO3)c2=O)c(C)n1Cc1cccs1 9548861 FQUQKXMHXWYEDN-IBGZPJMESA-N 431.489 2.869 0 40 IFAB COc1ccccc1CNC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9659257 WHKLPZGVXPXYGN-UHFFFAOYSA-N 425.466 2.992 0 40 IFAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(c2ncccn2)CC1 9788786 ABKPVGGHRVJRGI-UHFFFAOYSA-N 447.524 2.758 0 40 IFAB COc1cccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5C)c(=O)n(C)c4nc23)c1 9829382 ATEJFCVZSPPVHI-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1nonc1NC(C)=O 9877769 SSSBPJNVRQLNOU-UHFFFAOYSA-N 433.519 2.759 0 40 IFAB Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)ccc1Br 10518355 KLOIELMCOPVEEO-UHFFFAOYSA-N 445.360 2.999 0 40 IFAB CCC(=O)c1cc(F)ccc1OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 12548926 QCWJLIFCBRTEJZ-UHFFFAOYSA-N 438.477 2.695 0 40 IFAB CNS(=O)(=O)c1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1C 12601075 ZMSFHUHLOMRJAK-UHFFFAOYSA-N 430.530 2.786 0 40 IFAB C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(S(N)(=O)=O)cc1 12747868 QERNFLLOSBNIMO-ZDUSSCGKSA-N 428.489 2.639 0 40 IFAB COC(=O)c1ccc(OCc2nnc3n(C)c(=O)c4ccccc4n23)c(Br)c1 12788897 DMPCUQUBNMMIGV-UHFFFAOYSA-N 443.257 2.709 0 40 IFAB O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 13013045 GSYUQTYLDWBDDH-CYBMUJFWSA-N 431.352 2.533 0 40 IFAB CCOc1ccc(CCNC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1OCC 13109021 QEBJJRHKTPBCJO-UHFFFAOYSA-N 438.480 2.841 0 40 IFAB Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)C3CCN(S(C)(=O)=O)CC3)nc12 13789181 QZBCRGIMSNUODM-INIZCTEOSA-N 437.587 2.788 0 40 IFAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 14240534 DYLCWZCPQHGRSA-KRWDZBQOSA-N 439.541 2.545 0 40 IFAB COCCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14254795 WGQQTOMTYYGYNB-UHFFFAOYSA-N 446.592 2.751 0 40 IFAB CCc1cc(C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)sc1C 14506610 FCJCGURUDKDCRH-UHFFFAOYSA-N 442.541 2.545 0 40 IFAB COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)ccn3n2)cc1 16841989 YRCDLYUVPMTMFZ-UHFFFAOYSA-N 443.419 2.999 0 40 IFAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846513 CZRQWGFTQDCCPK-UHFFFAOYSA-N 426.460 2.922 0 40 IFAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)c1 19234757 PQUSOVVGYYRQQP-OAQYLSRUSA-N 434.540 2.669 0 40 IFAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19404154 WBGZBSQRLDHVMN-RXVVDRJESA-N 436.560 2.952 0 40 IFAB COc1ccc([C@H]2N(C(=O)CN3Cc4ccccc4C3=O)CCC[C@]23CCC(=O)N3)cc1 19557371 HCVQJRRPGLAXAZ-NOZRDPDXSA-N 433.508 2.664 0 40 IFAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 19819174 IHVLPRVSDFFIDL-INIZCTEOSA-N 426.400 2.993 0 40 IFAB NC(=O)c1ccccc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 20461503 FPIUUURXWXNSKZ-UHFFFAOYSA-N 425.441 2.739 0 40 IFAB Cc1cc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)ccc1Br 23990048 SDGVNAZFFJCCNQ-QGZVFWFLSA-N 439.375 2.937 0 40 IFAB C[C@@H]1CCN(C(=O)COC(=O)c2cccnc2N2CCOCC2)c2ccccc2S1 27806524 HNRVLCWDLQAJRW-MRXNPFEDSA-N 427.526 2.993 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCSCc1ccc(Br)s1 30203925 RQGQEWRNCMWWOC-STQMWFEESA-N 443.388 2.811 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 30855347 KBGGZUMDNOWFPN-OAHLLOKOSA-N 431.514 2.615 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 31408935 GDPYSCGBXHVDGY-KRWDZBQOSA-N 449.598 2.863 0 40 IFAB Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)n(-c2ccc(F)cc2)n1 32858181 UVIOWGKRUULCFO-SUMWQHHRSA-N 441.463 2.628 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(OC)cc1 44849244 MYDDBCPSRGRQGV-LJQANCHMSA-N 448.541 2.890 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 48309344 CWUVMZIUIDIEMG-UHFFFAOYSA-N 426.608 2.717 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCCO5)C3)ncn2)n1 70656055 VGQNCHDMAWJWMR-QGZVFWFLSA-N 434.500 2.905 0 40 IFAB Cc1cc(CN2CCN(CC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2)no1 71810689 CMXXHLBHZLOLKL-QFIPXVFZSA-N 445.995 2.707 0 40 IFAB CNc1cc([C@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)c3ccccc3)CC2)n1 72341538 NMQRIPGREXCNKY-IBGZPJMESA-N 437.544 2.500 0 40 IFAB COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cnc(-c5ccccc5C)nc4)C[C@@H]32)c(OC)n1 72395411 KUXYUQBFQUBGIX-QLWBXOBMSA-N 447.539 2.989 0 40 IFAB C[C@@H](NC(=O)CN(c1ccccc1Br)S(=O)(=O)N(C)C)c1ccccc1 79016361 WMTVYCXBNXHBCP-CQSZACIVSA-N 440.363 2.939 0 40 IFAB COc1cc(NC2CCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc(OC)c1 79025644 OHIRDJRIRPLWGE-HRAATJIYSA-N 432.565 2.985 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2CCCC[C@@H]2CNC(=O)OC(C)(C)C)n1 96012943 CVXRFVGLNCFOQE-OAHLLOKOSA-N 440.566 2.566 0 40 IFAB CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccc(F)cc3)CC2)O1 96263063 DCLDDMNIDCPFMC-GOSISDBHSA-N 429.496 2.716 0 40 IFAB Cc1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 219860132 DCZFDIFLWPZGML-UHFFFAOYSA-N 427.570 2.745 0 40 IFAB CSc1cccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 220064300 NPPNCDUWGOZAMC-UHFFFAOYSA-N 433.599 2.519 0 40 IFAB CCCN1CCN(C(=O)Cn2cccnc2=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257303143 SFZJMGIQPSJJBT-QHCPKHFHSA-N 444.535 2.602 0 40 IFAB Cc1ccc2c(CC(=O)N3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)coc2c1 257336586 YPBZPKNWNYXMHK-KRWDZBQOSA-N 436.512 2.885 0 40 IFAB c1ccc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCOCC5)cccc4n3)C2)nc1 306128087 GPUGOCUXLDLCFV-HSZRJFAPSA-N 432.572 2.835 0 40 IFAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1 408698728 RYMVMDUNSVZYLE-UHFFFAOYSA-N 432.498 2.529 0 40 IFAB COCCN1C(=O)S/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O 409142381 KBPMDPQGUOEAKP-XYOKQWHBSA-N 449.266 2.991 0 40 IFAB Cn1c(=O)c2cc(C(=O)N3CCc4ccccc4[C@H]3Cc3ccccc3)n(C)c2n(C)c1=O 535655210 JKTLWDAIXVPNSP-OAQYLSRUSA-N 442.519 2.558 0 40 IFAB O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(C3CC3)nn2)CC1 575619163 IDVBAJOBZKCFIB-UHFFFAOYSA-N 429.365 2.689 0 40 IFAB C[C@@H](c1ccccc1)N1C[C@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585103221 ACLHURMQRXUDSG-CYFREDJKSA-N 442.581 2.902 0 40 IFAB COc1cccc2cc(C(=O)NCCN3c4ccccc4N(C4CC4)S3(=O)=O)oc12 585147594 BPZOFGFZHVJBGC-UHFFFAOYSA-N 427.482 2.905 0 40 IFAB Cc1ncnc(C(=O)NC[C@H]2CC[C@H]3CN(C(=O)NC(C)C)c4ccccc4CN32)c1C 1565555772 HEBANERNXRKYOV-UXHICEINSA-N 436.560 2.794 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(COc2cc(-c3ccccc3)ncn2)CC1 1775970326 BUNOFRVDTVPSJI-UHFFFAOYSA-N 441.557 2.974 0 40 IFAB COc1cc(=O)n(C)cc1C(=O)N1CCC(CN(C)c2cc(C(F)(F)F)ccn2)CC1 1888856614 KGYXTEDWWRCIFR-UHFFFAOYSA-N 438.450 2.796 0 40 IFAB CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OC 1808646 NJCMUJJXHAGTSB-QNGOZBTKSA-N 449.532 2.837 0 40 IFAB COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1 2438343 BROLJNNZZCNPRE-UHFFFAOYSA-N 431.496 2.690 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1 3279070 JLXJZVIFHCHJSG-LPGQDOADSA-N 440.477 2.688 0 40 IFAB Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1 4388382 DSOHSACOIMDKRI-WJOKGBTCSA-N 441.597 2.771 0 40 IFAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 6073652 DPWMHMRBKXYYIA-UHFFFAOYSA-N 445.903 2.813 0 40 IFAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 6444335 SCSQFXKZDYLPRS-UHFFFAOYSA-N 439.541 2.962 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(CN(C)C)c1-c1ccccc1 8815570 DNVJIRTVKIGXGK-UHFFFAOYSA-N 431.558 2.924 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCOc1ccccc1)c1ccc(C)cc12 8843701 VARTTYDZMCEQKN-JOCHJYFZSA-N 438.509 2.576 0 40 IFAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2cc(S(N)(=O)=O)ccc21 8862078 HYJGCMRGJBSWLQ-LLVKDONJSA-N 448.526 2.552 0 40 IFAB CCCn1c(=O)n(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c2ccccc21 8923037 CAKJAPUESLXZGO-KRWDZBQOSA-N 429.542 2.874 0 40 IFAB COc1ccc(CNC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 9238692 GNOZNLOLQBTFKV-OALUTQOASA-N 425.514 2.679 0 40 IFAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@H](C)NC(=O)c1ccccc1F 9263910 PDHAQZYUGDXWEL-JTQLQIEISA-N 449.537 2.819 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)c1 9420257 AHHTZASPXDEEPT-IBGZPJMESA-N 439.468 2.711 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3cccc(N4CCCC4=O)c3)C2=O)cc1 9585183 MUTMTSCYANWURG-RUZDIDTESA-N 449.507 2.948 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2cccnc21 9830968 LLUUFSCWWUJAKH-UHFFFAOYSA-N 444.491 2.838 0 40 IFAB COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4ncccc4c3)CC1)NS2(=O)=O 12142601 OAHCKPUWZCDAOV-UHFFFAOYSA-N 438.509 2.580 0 40 IFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1Cc1ccco1 12806212 FALDCZAYULSZMY-UHFFFAOYSA-N 427.526 2.893 0 40 IFAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 13014810 ZTJASOWGHLMSHN-UHFFFAOYSA-N 428.432 2.998 0 40 IFAB Cn1c(=O)c2c(nc(Cl)n2CCCC(=O)c2ccc(Br)cc2)n(C)c1=O 13057743 VXMMYRAZTPANCF-UHFFFAOYSA-N 439.697 2.513 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)COC(=O)c1ccc(Br)s1 13156194 KHDFSXJMWLQZRL-NSHDSACASA-N 426.288 2.966 0 40 IFAB C[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O 13844300 ZNJXOJWEXGNUGB-JTPHSUOKSA-N 427.570 2.699 0 40 IFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C)c1 14119121 VUUZNZRBZCWUFJ-UHFFFAOYSA-N 431.558 2.783 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc2c(c1)OCO2 14398000 TVZAXGRGSSOLHN-UHFFFAOYSA-N 436.555 2.621 0 40 IFAB Cc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)[C@H]1CSC(=O)C1 15935971 LFYSGRLLMMPJFN-MRXNPFEDSA-N 426.494 2.653 0 40 IFAB Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18285161 QBZFOJBKWDXBPC-HDICACEKSA-N 444.491 2.617 0 40 IFAB CNC(=O)c1[nH]c([C@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)nc1-c1ccc(OC)cc1 19698832 WUPAOOMHZIKKJA-KRWDZBQOSA-N 448.527 2.872 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)n1 19709931 YLGOQCMYGFKMKY-GOSISDBHSA-N 426.521 2.754 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2cccc(C)c2C)c1=O 20611068 UCMVSRRRJARWJC-OAQYLSRUSA-N 432.480 2.573 0 40 IFAB biogenic CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc3ccccc23)cc1 22229363 VBGFWHNMXSXIMN-UHFFFAOYSA-N 439.537 2.824 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)c(OC)c1 22229929 ZYXBYFAVYVMZCH-SFHVURJKSA-N 434.514 2.813 0 40 IFAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 24592929 OPALYRCAXPRTSU-QGZVFWFLSA-N 437.496 2.525 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)sc2c1 32093286 LBZHOCLWOJOTHA-ZDUSSCGKSA-N 447.513 2.826 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)ccc1OC 32745319 UGGXKCUCKLOJJV-LBPRGKRZSA-N 447.469 2.580 0 40 IFAB Cc1cccc(N2N=C(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CCC2=O)c1 32999979 KWNMQUQMDKALBV-LJQANCHMSA-N 426.542 2.729 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1cc(C)ccc1C 35374264 PBTDMSPFKZKYPS-UHFFFAOYSA-N 435.484 2.585 0 40 IFAB COc1cccc2cc(C(=O)N3CCN(C(=O)[C@H]4C[C@@H]4c4cccs4)CC3)c(=O)oc12 38730705 QINHOPIEUKLPGW-HOTGVXAUSA-N 438.505 2.951 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 44905676 OCFWRHYDASUPNW-QVKFZJNVSA-N 448.541 2.888 0 40 IFAB COc1ccc(CNC(=O)c2nnn(Cc3nc(-c4ccc(OC)cc4)oc3C)c2N)cc1 49004476 LHAPJIVMSWCFMI-UHFFFAOYSA-N 448.483 2.819 0 40 IFAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)cc(OC)c1 71327281 QLOJTXOZZBOMEK-UHFFFAOYSA-N 431.399 2.773 0 40 IFAB CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c1 71327344 IEDAPRQRQNPWGM-UHFFFAOYSA-N 443.410 2.932 0 40 IFAB O=C1CC[C@H](C(=O)N2CC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)N1 72391355 DHWAVXOWVMKZPE-IEBWSBKVSA-N 428.496 2.877 0 40 IFAB COc1cccc(C(=O)N2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)c1 96145473 KPSQCYHNTSIEEC-IFMALSPDSA-N 428.554 2.804 0 40 IFAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(S(C)(=O)=O)cc1)C2 96296298 VFRFLRZNBSOWAM-KRWDZBQOSA-N 427.526 2.651 0 40 IFAB biogenic,in-vitro COc1cc(/C=C2/N=C(c3ccc(OC(C)C)cc3)OC2=O)cc(OC)c1OCC(N)=O 96920266 FZECYGMKGLRQIK-RQZCQDPDSA-N 440.452 2.700 0 40 IFAB COCCOc1ccc([C@@H](C)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1OC 97165379 MVDWKEZHKFBTAX-QGZVFWFLSA-N 442.512 2.968 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c1 101387424 UALHWNPGGNHCJV-IRXDYDNUSA-N 429.889 2.994 0 40 IFAB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1cccc(OC)c1)S(C)(=O)=O 222726464 JBEJWWKFRJVWQH-KXBFYZLASA-N 448.541 2.888 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223310283 DFXPKSSLNAFLTA-HNNXBMFYSA-N 440.949 2.694 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 223696330 JOHQTJACBUJKQN-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB O=C(COc1ccccc1F)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224416509 VDLZGEIGTHJWET-UHFFFAOYSA-N 436.505 2.574 0 40 IFAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 247956634 OPPOWRYJUILWOL-NPGKMWDHSA-N 429.561 2.798 0 40 IFAB COCCN1C(=O)CCC[C@H]2CN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 257228908 FVUNRNBSXJFIMR-GHTZIAJQSA-N 445.604 2.698 0 40 IFAB NC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)C2)CC1 390825824 GQACHLJRZDSUHL-UHFFFAOYSA-N 449.960 2.703 0 40 IFAB CCOc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408592177 LKKSTILGKBBJNY-BJMVGYQFSA-N 448.067 2.588 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408601409 AUBFMJJRFLUTAB-GFCCVEGCSA-N 440.905 2.831 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408661254 FIKKEVNBKXWGPJ-UHFFFAOYSA-N 425.441 2.748 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408670815 XGUYTIZVBDNTGP-UKTVDESPSA-N 438.402 2.607 0 40 IFAB Cc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)cc1Cl 409026901 FMDZKBZKDIXKAF-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@@H](C)C1 581961495 BVJHIKFMVMWNEO-AQERJUQKSA-N 446.588 2.915 0 40 IFAB O=C(c1ccccc1F)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643555630 CSQDZVRYSHTODR-XMMPIXPASA-N 426.488 2.959 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(Cc1nccn1C)CC2 1549168393 WDVNDXSLMDSGGW-JOCHJYFZSA-N 435.572 2.635 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)CC1 1633262498 OXTLDTANLQLWOM-UHFFFAOYSA-N 427.876 2.972 0 40 IFAB CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@@]12C(=O)Nc1ccccc12 705597 UKWFZUIKTIRWAZ-XMMPIXPASA-N 434.448 2.658 0 40 IFAB COc1cc(S(=O)(=O)N(Cc2ccc(C)cc2)Cc2ccco2)ccc1-n1cnnn1 934100 YYIJYIFHVLDCMP-UHFFFAOYSA-N 439.497 2.963 0 40 IFAB C[C@H](NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 3318037 OYTUOJRBJNQHBJ-KRWDZBQOSA-N 430.526 2.895 0 40 IFAB O=C(CSc1nnc(NC2CCCCC2)s1)NN1C(=O)NC2(CCCCC2)C1=O 3407381 PDNVXICSFOPFRQ-UHFFFAOYSA-N 438.579 2.661 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2CCCO)n1 3455080 WTKGKMFCCKUNTN-UHFFFAOYSA-N 449.540 2.890 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccc(C)cc4[nH]3)CC2)cc1 6371913 PNVUUUONXRNTMY-UHFFFAOYSA-N 444.582 2.805 0 40 IFAB CCCCCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc21 8670766 JIGNOZFREQGVOQ-UHFFFAOYSA-N 429.546 2.571 0 40 IFAB CN(Cc1ccc(Br)s1)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 9590531 RRBUXLGMAWQURC-UHFFFAOYSA-N 442.360 2.598 0 40 IFAB CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 9789381 DUKUAZVBJSQJNS-ORAYPTAESA-N 429.498 2.550 0 40 IFAB Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1Cc1cccs1 9963813 APPJJOSYYZLWAQ-UHFFFAOYSA-N 443.525 2.805 0 40 IFAB CCc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)s1 11694559 LZHFRSYGRSGIDM-UHFFFAOYSA-N 447.517 2.912 0 40 IFAB CCCCc1ccc(NC(=O)CSc2nc(CC)nc3c2c(=O)n(C)c(=O)n3C)cc1 11758065 ZHRDVQOFAZSMBU-UHFFFAOYSA-N 441.557 2.663 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)cc1Cl 12537433 JXJIHUPOWPHXCE-LJQANCHMSA-N 433.867 2.544 0 40 IFAB COc1cc(Br)c(S(=O)(=O)Nc2cccc3c2C(=O)NC3)cc1OC 12560709 ULKAKLHYHTYIKG-UHFFFAOYSA-N 427.276 2.511 0 40 IFAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccc(I)cc1 12949878 STMJTQVPMMHIBB-UHFFFAOYSA-N 433.271 2.593 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 13082920 YQUFSHYCEGVTIO-IAGOWNOFSA-N 430.574 2.777 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)CC1 13681175 CRSMEIYJJGTFGU-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB O=C(c1ccccc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 15821091 YWCSWJCLBQQAGT-UHFFFAOYSA-N 431.521 2.776 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccco2)c2cccs2)cc1 17043338 MFSVSAOJZJTMEH-GOSISDBHSA-N 432.523 2.597 0 40 IFAB Cc1cccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccc(F)cc2)c1 17135350 XAXTWLMZBWMPFI-UHFFFAOYSA-N 442.516 2.870 0 40 IFAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H](C)c1nn(CC)c(=O)c2ccccc12 19520537 QZFKGUHFNYMAPZ-AEFFLSMTSA-N 445.523 2.825 0 40 IFAB COc1ccc(-c2noc([C@@H]3CN(S(=O)(=O)CCOc4ccccc4)CCO3)n2)cc1 19558531 IMELPAVMXJYUOS-IBGZPJMESA-N 445.497 2.527 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccccc2OC)CCO1 19591867 GFVLCQFRRNCAPH-SANMLTNESA-N 445.519 2.957 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(CC(=O)N2CCCCC2)CCO1 19697576 LHRPVBRNBWXPDV-GOSISDBHSA-N 445.585 2.663 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 19708864 BURKYBLKSUZTCC-QGZVFWFLSA-N 446.555 2.853 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)c1 20017158 MRJBIYJWKFVNQM-MRXNPFEDSA-N 436.505 2.560 0 40 IFAB COc1ccc(OC)c(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 20033408 NRBRVLYKIUMYLX-UHFFFAOYSA-N 432.542 2.737 0 40 IFAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20493819 GVADJQNEJNNDOZ-OAQYLSRUSA-N 430.570 2.986 0 40 IFAB CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCC(C(N)=O)CC4)[nH]c(=O)c23)C1 21882636 QZJATGWZKQNJSF-CQSZACIVSA-N 444.601 2.792 0 40 IFAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1F 23735060 VTROVOOINPWAME-UHFFFAOYSA-N 434.411 2.947 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 24755805 LUKSMNSCJYCZCA-UHFFFAOYSA-N 438.955 2.544 0 40 IFAB COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4cccc(F)c4)CC3)on2)cc1 25064420 WKPNZTJSMGWTLE-UHFFFAOYSA-N 431.489 2.996 0 40 IFAB CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 33026849 LZFKNKXWRWMDRI-UHFFFAOYSA-N 433.549 2.966 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)N(C)CC(=O)NCc1ccco1 33028497 IEJJTSRPZDLMEG-UHFFFAOYSA-N 447.557 2.587 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(OC)cc2)n1C 33786858 SZQKJFCIYASTDJ-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 35436351 ADORENBWWCNFAZ-VQTJNVASSA-N 429.586 2.519 0 40 IFAB CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)cs1 36594784 UFTWVSUMCJOKOW-GDBMZVCRSA-N 432.571 2.681 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)cc1 40146719 RCTAVYHVAHYGLK-LJQANCHMSA-N 431.439 2.723 0 40 IFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H]2COc3ccccc3O2)CC1 40161510 DGRKSDUNONBGIQ-INIZCTEOSA-N 442.459 2.852 0 40 IFAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4c(C)cccc4Cl)cnc32)c1 40478175 YMYQDUONIQTWIZ-UHFFFAOYSA-N 438.875 2.645 0 40 IFAB CSc1ncccc1C(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 44001479 GCTRJVXIVCEYFV-IBGZPJMESA-N 427.526 2.612 0 40 IFAB Cc1csc(SCc2ccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)n1 48325516 UMDFQECXXGNRPY-UHFFFAOYSA-N 430.599 2.780 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 69485451 GUKISLRNJKVOOO-INIZCTEOSA-N 445.497 2.629 0 40 IFAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)C(=O)Nc1ccccc1C(F)(F)F 70893703 NGXZORKBIHOZNF-UHFFFAOYSA-N 434.418 2.708 0 40 IFAB CCOc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 71771861 ZVCOJDSGBNSHAI-UHFFFAOYSA-N 439.541 2.617 0 40 IFAB Cc1nc(C2CCN(C(=O)CCc3cc(Cl)no3)CC2)nc(N2CCOCC2)c1C 72337166 HOYHRDSBXOZTTR-UHFFFAOYSA-N 433.940 2.910 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77159958 PQRPPRYARYFNAE-UHFFFAOYSA-N 444.532 2.704 0 40 IFAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 95477422 QMQROJKJKXFJNV-DHZHZOJOSA-N 436.600 2.908 0 40 IFAB c1cncc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 96900875 HOERYMIIMXODNO-HSZRJFAPSA-N 447.543 2.819 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)CCc4nc5ccccc5oc4=O)C3)cc2n1 100138221 VEPMAMRNNFBEPT-HNNXBMFYSA-N 447.495 2.838 0 40 IFAB CC(C)C(=O)N1CCc2c(nc3cc(C4CCN(CC5=CCCOC5)CC4)nn3c2O)C1 100232753 MQOJFLHWBKJOHW-UHFFFAOYSA-N 439.560 2.502 0 40 IFAB CCOCCn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cc(S(N)(=O)=O)ccc21 100873587 ABGMDJLVASWKLX-UZYVYHOESA-N 439.946 2.781 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(F)c(F)c3)C(=O)[C@@H]21 101169309 LICGIZAKOGILKS-DLBZAZTESA-N 433.802 2.859 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)[C@@H]1O 106611428 VMCFTVWDHVWSOB-ANXROKJOSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1F 107151762 WGXOMGVFFROYDG-OXJNMPFZSA-N 433.549 2.716 0 40 IFAB O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 206680591 HXKWVHFLEAJWFO-UHFFFAOYSA-N 437.477 2.954 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1C 216448109 PSEIYOZGPQBLOC-GOSISDBHSA-N 426.542 2.960 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223074826 CIVIPJSDWQWENQ-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 224492038 OJIQYEGYMBLNSS-UHFFFAOYSA-N 430.935 2.934 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1cc(Cl)cc(Cl)c1 225244367 UIBGMCJUHJIZJD-OAHLLOKOSA-N 445.324 2.716 0 40 IFAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225724578 RCKZLWOBJONZLB-UHFFFAOYSA-N 439.899 2.728 0 40 IFAB COCC(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCCCC3)c(C)n2n1 257218565 DDOZOBVDCGJWGS-FQEVSTJZSA-N 427.549 2.601 0 40 IFAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC[C@@H]2O)CC1 257228403 FTRRYKHSGFPMHA-PMACEKPBSA-N 445.947 2.730 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)Cc1ccc(Br)cc1 408621786 ODTKVVPVPFRIPY-UHFFFAOYSA-N 437.359 2.796 0 40 IFAB CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)C1 538920692 RSWNESWBQXMVGW-QGZVFWFLSA-N 447.582 2.643 0 40 IFAB O=S1(=O)CC[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575424123 SRXWFXWKPPSYCQ-OAHLLOKOSA-N 430.345 2.832 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3cc(C)nc(C)n3)C2)c(C)c1 575610273 VCCZJUOUKYSDIU-SFHVURJKSA-N 432.546 2.982 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1cn(C)c3ccccc13)C=C2 604405838 SDXUFIAMYFUSNU-UHFFFAOYSA-N 433.508 2.910 0 40 IFAB biogenic COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)c1 2056223586 UKVHZHXMRVPCTR-KDURUIRLSA-N 431.558 2.632 0 40 IFAB COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc21 6178072 GFIMJNFSXJYUDG-JOCHJYFZSA-N 430.512 2.930 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccn3)o2)cc1 9428047 ZZNKXDLFKQTXRB-CQSZACIVSA-N 427.486 2.947 0 40 IFAB Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3cccc(F)c3)nc2n(C)c1=O 9517605 NOKISNMPPCPWGU-UHFFFAOYSA-N 436.468 2.808 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9684143 FSBJRROORPUNRI-GOSISDBHSA-N 430.526 2.821 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(CCNC(C)=O)cc2)C1=O 9789737 ROSWTVBHHQEJOE-QHCPKHFHSA-N 425.460 2.544 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(C(=O)C(C)(C)C)C2)on1 12184132 LTIPMGATZIUWBW-QGZVFWFLSA-N 426.565 2.944 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)c1 12864630 GNESOCQLAHPJRI-ZIAGYGMSSA-N 429.498 2.941 0 40 IFAB COc1cc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)ccc1OC(F)F 13158102 RSZHJHFYLOSQFL-CQSZACIVSA-N 437.395 2.752 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc(O)nc(-c4cnc(C)cn4)n3)C2)cc1 13227799 VXMCMLDVNGUWIV-OAHLLOKOSA-N 441.513 2.525 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(F)cc2)cc1 13565832 BPPITPRLABGEHD-UHFFFAOYSA-N 429.473 2.741 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1 14188053 STIWTCPWGKDFOA-UHFFFAOYSA-N 442.541 2.814 0 40 IFAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 16024419 MPGCYCLFUUVWSD-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB CCOC(=O)C1=C(CSc2nnc(C(F)(F)F)n2C)NC(=O)N[C@H]1c1cccs1 16044408 ZPWWJFPUSIURTA-NSHDSACASA-N 447.464 2.859 0 40 IFAB CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccc(F)cc1 16678338 OPNPKSWSGJDNJH-UHFFFAOYSA-N 433.549 2.802 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1C 16684885 IBBOIIFXUNXPHD-INIZCTEOSA-N 447.509 2.742 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1F 16689715 IWWSUFMDAAMHNB-AWEZNQCLSA-N 439.534 2.575 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1C 22247324 XMVXKTUZOACGIR-FPOVZHCZSA-N 446.569 2.579 0 40 IFAB CCOC(=O)C1=C(CN(C)Cc2cnn(C)c2C)N(CC)C(=O)N[C@H]1c1ccccc1 22469409 VHUQMZXWAYOSKN-NRFANRHFSA-N 425.533 2.764 0 40 IFAB O=C(CNC(=O)c1occc1CS(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 23039130 ZZDJGKDLINLADZ-UHFFFAOYSA-N 434.420 2.900 0 40 IFAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 24681470 SOBNMUUQFXUNJF-IBGZPJMESA-N 430.530 2.875 0 40 IFAB COc1cc(OC)cc([C@@H](Nc2ccc(S(=O)(=O)NC(C)C)cn2)c2nccn2C)c1 32863493 RDIHKHOTSPXOKU-HXUWFJFHSA-N 445.545 2.721 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 36351202 OGYXNURAVRCPQT-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2cn(CCC(=O)O)c3cc(F)ccc23)CC1 36359336 USORUPPNRFSOHO-IBGZPJMESA-N 449.479 2.934 0 40 IFAB COc1cccc(N2C[C@H](C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3C)CC2=O)c1 38677574 RFEDMZVRXDYSLK-MRXNPFEDSA-N 443.525 2.535 0 40 IFAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 40390625 YSHGITFKPHSHGR-GJZGRUSLSA-N 439.516 2.920 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)CC1 41252922 FZGVDELRILUIOX-UHFFFAOYSA-N 436.487 2.797 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 49549461 XFBVABZFYJPYLK-KRWDZBQOSA-N 434.468 2.966 0 40 IFAB CCOC(=O)[C@H](CNC(=O)c1cccc(S(=O)(=O)NC(C)C)c1)Cc1ccccc1 58003364 WYBYWCOUWUDEJE-IBGZPJMESA-N 432.542 2.525 0 40 IFAB CN(C)C[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H](O)c1ccccc1 58146483 XBGIHIPTYWXXSD-BEFAXECRSA-N 439.965 2.776 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O 62580349 QHMYISDXHPOZEJ-FATZIPQQSA-N 437.500 2.512 0 40 IFAB CCN1CCN(C(=O)CN2CCCC2=O)[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351467 MYNJIEOHRJLPHP-HSZRJFAPSA-N 449.551 2.586 0 40 IFAB COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1-c1ccccc1 83962588 UCTFSADCJSBIAU-JOCHJYFZSA-N 445.519 2.695 0 40 IFAB CCc1cc(=O)c2cc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2[nH]1 95465572 OCRCLJPAZZLXDA-UHFFFAOYSA-N 442.493 2.664 0 40 IFAB O=C(NCC(=O)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1)OCc1ccccc1 96371052 RZZFYPNJAMHSPW-GOSISDBHSA-N 436.917 2.641 0 40 IFAB CC(=O)Nc1nc(C(=O)N2CCC[C@@H](c3cc4nc5c(c(O)n4n3)CCCC5)C2)cs1 100138517 LBZCTPICSGDWIJ-CYBMUJFWSA-N 440.529 2.748 0 40 IFAB Cn1cc(C(=O)NC[C@H]2CC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)CC2)ccc1=O 100223510 GSTPUHTXZGCRHZ-KHYOSLBOSA-N 428.558 2.646 0 40 IFAB COCCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(OC)c(OC)cc21 101035748 IJIGYCOVCDTFED-ZREAOVPFSA-N 430.482 2.634 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 209616194 LMTKZMPIMPVEEZ-KRZKXXONSA-N 447.988 2.864 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)cc1 220070901 UKSLOOYKLNKTSO-HNNXBMFYSA-N 438.571 2.767 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1OC 220238609 DMLDQFYLAFBQJC-HNNXBMFYSA-N 438.521 2.746 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220339708 UPXUOBIVIFITND-MRXNPFEDSA-N 447.557 2.937 0 40 IFAB CC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220721875 FUAQYIAQZGJHHX-INIZCTEOSA-N 430.954 2.605 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 222620798 WJKOXUNEYXVNFN-UHFFFAOYSA-N 429.542 2.617 0 40 IFAB CSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)s1 224298883 TUBQKPWXHIDJSQ-HNNXBMFYSA-N 440.616 2.873 0 40 IFAB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224956217 AOTJGRSTIYRYDY-UHFFFAOYSA-N 427.862 2.504 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C 225041410 UMOAJUAIHNTKON-UHFFFAOYSA-N 431.539 2.945 0 40 IFAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCCC2)cc1OC 225757296 WGJXEMZQMKVLGU-MNDPQUGUSA-N 427.501 2.670 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)c1 260760826 AWXXHTWFRRCGCA-CQSZACIVSA-N 430.592 2.650 0 40 IFAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3C)cc2)C1 408615366 PMRCHFRXKHMFKG-GOSISDBHSA-N 439.512 2.518 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2)cc1 408623312 SHAJSDBCGNQHPQ-UHFFFAOYSA-N 426.542 2.589 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)c1 408663153 LOZCSPICGXGVLP-UHFFFAOYSA-N 428.441 2.807 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1ccc2c(c1)OCO2 408732270 SZMFDXNFQSSCQU-RZXXJPOTSA-N 448.500 2.636 0 40 IFAB C[C@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@@H](C(F)(F)F)CC2 504652428 SPDQRCUBFSRAFI-SWLSCSKDSA-N 443.857 2.858 0 40 IFAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)Cn3cncn3)Cc3ccccc31)N2CC 643577883 HINWEWYDBIMYCY-RTWAWAEBSA-N 438.576 2.697 0 40 IFAB O=C(CN1CCCCCCOc2ccccc2Nc2ncccc2C1=O)NCCCO 643585021 NPJPJPRICNSCDE-UHFFFAOYSA-N 426.517 2.719 0 40 IFAB Cc1nnc(N2CCN(C(=O)c3cc4c(ccc5ccccc54)[nH]3)CC2)c(C(N)=O)c1C 1251660057 NLBLQLGNCXNYJL-UHFFFAOYSA-N 428.496 2.789 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)nc(OC)n1 1085379 GUGYQKYUEGXHKI-UHFFFAOYSA-N 428.470 2.855 0 40 IFAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NCCN1C(=O)CSC1=O 2637612 QFUDBZMWEIBKQV-UHFFFAOYSA-N 428.495 2.549 0 40 IFAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 2656883 JPBVBPYIVKVWAA-JOCHJYFZSA-N 441.509 2.819 0 40 IFAB COc1ccc(N(CC(=O)Nc2cccc(C)c2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 2693803 SGENEIQKBHNWDQ-MOPGFXCFSA-N 445.566 2.717 0 40 IFAB O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCOCC1 2722272 XEQLEJOYFXRZGE-UHFFFAOYSA-N 432.929 2.976 0 40 IFAB Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 8755101 WZKJVRPCECDVRN-LBPRGKRZSA-N 431.967 2.811 0 40 IFAB COc1ccc(C(=O)NCc2nnc(S[C@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 9264008 SMWKNNABDJEAKW-GFCCVEGCSA-N 446.558 2.638 0 40 IFAB COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)C(C)(C)C)cc(OC)c1OC 9561737 SYOKQBCHXVCHMS-AWEZNQCLSA-N 441.546 2.722 0 40 IFAB Cc1sc2nc([C@H](C)OC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)[nH]c(=O)c2c1C 9594052 FEVMRWFHKGQCGM-QMMMGPOBSA-N 441.918 2.820 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)cc1 9676775 BODYQHDRWIVFJS-UHFFFAOYSA-N 438.933 2.697 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1F 12085359 XWCZKWFYFPKYCM-ZDUSSCGKSA-N 437.522 2.650 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2CO)cc1OC 12231091 CBUIDDSCAJQVIU-UHFFFAOYSA-N 442.443 2.715 0 40 IFAB C=C(OCC)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 12391015 ZPJFWZFDTBFWIL-KRWDZBQOSA-N 437.500 2.832 0 40 IFAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12536713 QZIVKDFJTCKOIT-UHFFFAOYSA-N 446.529 2.821 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCS[C@@H]1c1ccccc1F 12617679 OXMKGRITRZTHMO-JOCHJYFZSA-N 435.484 2.996 0 40 IFAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 12736642 AVFUUBBZRNHBBV-GOSISDBHSA-N 429.473 2.826 0 40 IFAB Cc1ccc(Cn2ccs/c2=N\C(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 12739330 YROLCAKJGLVLLT-GYHWCHFESA-N 433.541 2.688 0 40 IFAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)COC[C@H]4CCCCO4)C3)cc2n1 13225640 QWFQWPWHNDAGTJ-HUUCEWRRSA-N 426.439 2.958 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 13566754 HYCJITWYLNYMNQ-IBGZPJMESA-N 445.585 2.815 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 14117759 IXUQBUGEAOOVNT-UHFFFAOYSA-N 436.950 2.928 0 40 IFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 15518159 CBDGGJNBUHNWGZ-IBGZPJMESA-N 434.544 2.731 0 40 IFAB COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)/C=C/C(=O)O)cc3)C2=O)cc1 17094800 LNVOUSBJUKABPX-DVQDXYAYSA-N 426.450 2.699 0 40 IFAB CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 17813091 MSWZHSAGWFEQLP-UHFFFAOYSA-N 442.025 2.979 0 40 IFAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 19020917 BGTHXKQJVAPCER-QUCCMNQESA-N 428.558 2.709 0 40 IFAB CC(C)NC(=O)[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1ccnc(N2CCCC2)n1 19450078 FTLMFEDYMSEZGQ-PMACEKPBSA-N 445.571 2.760 0 40 IFAB CN(Cc1cc(N(C)C)nc([C@H]2CCCN2)n1)C(=O)CN1CCC(c2ccccc2)CC1 19709804 CIZCFZZCZRBPTO-JOCHJYFZSA-N 436.604 2.805 0 40 IFAB CC[C@H]1C(=O)NCCN1C(=O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 19748166 TUKQPMXHKZDBFU-NRFANRHFSA-N 425.573 2.864 0 40 IFAB CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 22615072 SCPUNCCAVBBECG-UKRRQHHQSA-N 430.530 2.605 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 22907521 NYOVAZVQJPQLNJ-IBGZPJMESA-N 433.464 2.863 0 40 IFAB COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)cc1 23107585 ZWTZCODSWDRQSK-HSZRJFAPSA-N 433.508 2.977 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)cc1 23652171 VPQWESOLLBGMHX-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 26130885 GSSQFZARRMCJIU-UHFFFAOYSA-N 431.533 2.533 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 28340936 BBQFCRCEWJOBCV-AWEZNQCLSA-N 425.551 2.501 0 40 IFAB CC(C)n1c(N2CCN(C(=O)C3CCCC3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555841 XIHIJLDSNPTECV-UHFFFAOYSA-N 426.517 2.587 0 40 IFAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(OC(F)(F)F)c3)cc2)C1 32084891 STQZNSZHKVBGBE-NSHDSACASA-N 444.387 2.824 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(c4noc(C)n4)CCCC3)CC2)cc1 32901911 WUJXYAYKWSDXIT-UHFFFAOYSA-N 432.546 2.673 0 40 IFAB CCN(CC)C(=O)N1CCN(Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)CC1 32923249 DAGFZIDXWBDYNV-GOSISDBHSA-N 446.577 2.500 0 40 IFAB COc1cc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)ccc1OCC(C)C 34792622 AEFIHNFVLKZOBX-FYJGNVAPSA-N 449.532 2.693 0 40 IFAB CN1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)C(C)(C)N)CC1 36734325 IWRBDSYVHNRBMV-YJBOKZPZSA-N 440.510 2.940 0 40 IFAB Cc1cnc2c(S(=O)(=O)N3CCN(Cc4noc(C(C)(C)C)n4)CC3)cccc2c1 40153504 CWIUWPDTHBISLB-UHFFFAOYSA-N 429.546 2.730 0 40 IFAB COCCn1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 57615888 OHUCYLQEKYESGH-UHFFFAOYSA-N 426.521 2.505 0 40 IFAB CCOc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 57738398 PLYIDAGUNBEPRI-PMACEKPBSA-N 434.945 2.753 0 40 IFAB COc1ccc(S(=O)(=O)Nc2c(OC)ccc(Br)c2C(=O)O)cc1OC 72301093 OQZBGFVUJOHYEO-UHFFFAOYSA-N 446.275 2.974 0 40 IFAB CNc1cc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3F)C2)nc(CN(C)C(C)=O)n1 72370135 LZOHHSHQIUUTPF-OAHLLOKOSA-N 447.486 2.560 0 40 IFAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395663 PVNYURZBKUKRSI-UHOFOFEASA-N 449.458 2.703 0 40 IFAB O=NN(C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)C[C@H](O)[C@H]1CCc2cc(F)ccc2O1 77311874 TXDRIMZKXCWKRC-YHDSQAASSA-N 434.439 2.757 0 40 IFAB in-vitro CCCNC(=O)CN(CCC)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 79069803 SBQPZINXZICEES-CQSZACIVSA-N 447.395 2.624 0 40 IFAB COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 89420771 OOBUMAYJAICKIW-UHFFFAOYSA-N 443.363 2.804 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 89969036 NRNXRCOMKGGRJJ-LAUBAEHRSA-N 447.601 2.641 0 40 IFAB O=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 90592070 PXMTWSFGSHWZCO-IEBWSBKVSA-N 449.486 2.619 0 40 IFAB CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C(C)C)CC4)C1 100234520 UHRJJINEMXFVHU-JKSUJKDBSA-N 427.549 2.728 0 40 IFAB COc1ccc2c(c1)s/c(=N\C(=O)CSCC(=O)N1CCc3ccccc31)n2C 100825340 NAQVTZWOWHSRPL-DQRAZIAOSA-N 427.551 2.998 0 40 IFAB O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C(=O)N1c1cccc(Cl)c1 101027213 RMEDJTYVJVFEDI-HZPDHXFCSA-N 448.262 2.649 0 40 IFAB COc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 102014729 HMFVNIBUVSOZIM-CADBVGFASA-N 447.896 2.848 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 113966191 DSIJDWBGSORGKV-UHFFFAOYSA-N 437.512 2.860 0 40 IFAB C[C@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOC(=O)[C@H](C)Oc1ccc(N=C=O)cc1 114672427 SDAXBDFPLILPQN-HOTGVXAUSA-N 440.408 2.942 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCC(=O)O 214643477 NIQXFUAXBDECOV-LICLKQGHSA-N 442.449 2.834 0 40 IFAB COC(=O)CSc1nnc(NC(=O)c2ccc(C)cc2I)s1 225032201 OFNQYFMDGTWZHD-UHFFFAOYSA-N 449.295 2.969 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccc(C)cc4O3)ccc21 225109139 JOGHIFOKTQOIPS-KRWDZBQOSA-N 447.538 2.557 0 40 IFAB COCC(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCCC3)c(C)n2n1 257218566 DDOZOBVDCGJWGS-HXUWFJFHSA-N 427.549 2.601 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c3c2CCCC3)CC1 257317190 VISOLTIDZCQVQV-WRALFONMSA-N 438.572 2.738 0 40 IFAB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)c1 408657889 PSLGMUOAXBJPAR-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408667542 UHVNRRBRWQMAKE-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)NC1=S 409212449 QCYSDFITXIFOAK-SXGWCWSVSA-N 430.457 2.644 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1CCN(c2ccccn2)C1 510847526 CGLTYWVEHSUTHW-HNNXBMFYSA-N 444.542 2.739 0 40 IFAB CC(C)(C)c1ccc(=O)n(C2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)n1 1775969986 WBARLSLAOJUYJB-UHFFFAOYSA-N 430.516 2.906 0 40 IFAB Cc1cccc(C)c1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O 656050 GKBCJTDJMFLTEN-UHFFFAOYSA-N 442.541 2.506 0 40 IFAB CCOC(=O)c1nnn2c1nc(Sc1nnc(-c3ccncc3)n1C)c1ccccc12 1035691 CHXMMGWPOXHYNA-UHFFFAOYSA-N 432.469 2.796 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3525763 HYDSYLWXOJALOV-UHFFFAOYSA-N 436.555 2.948 0 40 IFAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(OC(F)F)cc1 3533892 LPFZRKGSEKDMJW-UHFFFAOYSA-N 435.412 2.720 0 40 IFAB COc1cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2ccccc2)cc2ccccc12 4534131 YXDSWEZHWDTWLL-HXUWFJFHSA-N 433.512 2.849 0 40 IFAB CCOCCCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 6195379 FGJPAUIDPRKKLE-UHFFFAOYSA-N 429.908 2.586 0 40 IFAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CC(=O)Nc2ccccc21 8686290 MFMIVCJCMOXWBL-UHFFFAOYSA-N 444.520 2.813 0 40 IFAB O=C1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)ccc2N1 8706656 ZVLDKZCVQBZGLZ-UHFFFAOYSA-N 437.403 2.972 0 40 IFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8877050 HKBYEHNTKISRIN-SJORKVTESA-N 446.503 2.858 0 40 IFAB biogenic COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(OC)c(OC)c2)C[S@](=O)C3)cc1 9413234 VMPZBSDSWMHNDM-WJOKGBTCSA-N 441.509 2.842 0 40 IFAB O=C(COC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9439185 ZPKVLPKKCCJKMR-UHFFFAOYSA-N 428.919 2.982 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CCCOc1ccccc1)n2CC 9588978 XGPQBEZUBHSDSP-UHFFFAOYSA-N 428.489 2.609 0 40 IFAB CN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 9612466 NLCYPUZVHJSPCE-AWEZNQCLSA-N 444.534 2.766 0 40 IFAB O=C(c1cnc2ccccc2n1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9885642 QZWUNPDVUQRUBI-UHFFFAOYSA-N 446.898 2.792 0 40 IFAB COc1ccc(C(=O)CSc2nc(=O)c(NC(C)=O)c(O)n2-c2ccccc2)cc1 10060475 WOUFNQAMOPIWDJ-UHFFFAOYSA-N 425.466 2.880 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)c4sc5nc[nH]c(=O)c5c4C)C3)cc2n1 12134600 HKPKOHVUPICELE-GFCCVEGCSA-N 438.513 2.624 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 13566300 VAACTKVUDNIEAJ-UHFFFAOYSA-N 431.514 2.837 0 40 IFAB O=C1NC(=O)[C@@H](CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)S1 14066411 IYZACZJBSKMVQS-GOSISDBHSA-N 445.491 2.940 0 40 IFAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)Nc1ccc2c(c1)OCO2 14095631 QESHCYUQZWJJGM-UHFFFAOYSA-N 432.436 2.702 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)NCCOc2ccccc2)cc1 16695782 RGEOALJWWKBPNY-SFHVURJKSA-N 433.574 2.563 0 40 IFAB O=C(C1CCC1)N1CCc2c(nc([C@@H]3CCN(Cc4cccc(F)c4F)C3)[nH]c2=O)C1 19292707 LUQGAIBFTUWCJA-MRXNPFEDSA-N 428.483 2.722 0 40 IFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499388 KEVVMLYFPQQZKR-HRAATJIYSA-N 440.544 2.742 0 40 IFAB CCN(CC)CCCNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 19526370 AOCPGBLNRNGCOP-HOYKHHGWSA-N 429.561 2.640 0 40 IFAB Cn1cc(C(=O)N2CC[C@H](c3ccc4c(NCc5ccccc5)n[nH]c4n3)C2)ccc1=O 19705151 CSMVYOBEKJIEJB-KRWDZBQOSA-N 428.496 2.898 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)COc1c(C)cccc1C)C2 19707512 SUFRDAPSRIQOGH-FQEVSTJZSA-N 437.544 2.782 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2n(C)c1=O 19743299 KYDVWHCBQORSDL-CYBMUJFWSA-N 438.450 2.547 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 20108832 AQTWPAHGVIQCBE-UHFFFAOYSA-N 433.555 2.914 0 40 IFAB COc1cccc2sc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)nc12 22024802 KUBLQOFRWFJESY-UHFFFAOYSA-N 427.454 2.890 0 40 IFAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3F)CC2)C1 32760392 ZFPDOZDSBBMRFG-MRXNPFEDSA-N 429.517 2.724 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325482 IIBYDCMTZBQTPS-AWEZNQCLSA-N 445.522 2.995 0 40 IFAB O=C(NCCCn1ccnc1)c1nnsc1NC(=O)N1CCCC[C@H]1c1cccnc1 33436072 YOIIROVFZBWRJQ-INIZCTEOSA-N 440.533 2.709 0 40 IFAB CCCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c1c(=O)n(C)c(=O)n2C 35312954 NRJSGLPNOHPQBU-UHFFFAOYSA-N 443.573 2.890 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1cccc(F)c1 57415592 SSJZFFHPNQFWFT-QFIPXVFZSA-N 438.503 2.737 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 60111210 QJFRLYVFZCOIMT-SFHVURJKSA-N 447.601 2.751 0 40 IFAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN2C(=O)CN2CCOCC2)n1 72354855 YWTYGNYHHSNJCA-QGZVFWFLSA-N 435.450 2.740 0 40 IFAB Cn1ccnc1C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)c1ccccc1 79102778 OLMIYIYCWAALAZ-FQEVSTJZSA-N 428.496 2.704 0 40 IFAB COc1cccc(NC(=O)CCC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 94993008 GKAKVRPPRDLJNN-UHFFFAOYSA-N 434.496 2.880 0 40 IFAB O=C(O)c1ccc2c(cc(I)n2S(=O)(=O)c2ccccc2)n1 96321336 HSXZATPYPSUTMC-UHFFFAOYSA-N 428.207 2.576 0 40 IFAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(Cl)cc3)c(=O)n12 100936236 AJQGTQBEYHJKPB-KGKWURJLSA-N 440.908 2.512 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(C)ccc4C)[C@@H]3C2=O)cc1Cl 101168866 RODLKIMCNVZDPM-OALUTQOASA-N 441.875 2.897 0 40 IFAB CCSc1nnc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)s1 222792937 USRXAUKRCJFJQY-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2C1=O 223002304 KGFWRIWOEWPAQU-OAQYLSRUSA-N 435.524 2.925 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224752090 ZBOHRJXOCLFBSF-LJQANCHMSA-N 445.585 2.705 0 40 IFAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 225442728 HWWHAUREXHSRAC-AWEZNQCLSA-N 434.514 2.879 0 40 IFAB O=c1[nH]c(-c2ccc(I)cc2)nc2nc(Br)cnc12 225733862 YAYDPMVCWPOFRA-UHFFFAOYSA-N 429.015 2.747 0 40 IFAB CCCc1nnsc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 257228945 FVYIJHKHXYHXFW-JLMWRMLUSA-N 430.574 2.598 0 40 IFAB COc1cccc(-n2nccc2-c2nc(C(=O)NCCN3CCCCC3)c3cnccn23)c1 306128074 GPJAHKXNIMGCEY-UHFFFAOYSA-N 445.527 2.806 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 408665491 FNCIMDBXHKZKAK-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB FC(F)CN1CCCN(c2cc(C3CC3)nc(N3CCCN(CC(F)F)CC3)n2)CC1 561241484 VGLKDGHGAOQFLR-UHFFFAOYSA-N 444.521 2.908 0 40 IFAB COc1ncc(CN2CC[C@H]3[C@H](CC(=O)NCCC4CCOCC4)OC[C@H]3C2)cc1C 585109566 WXRBANIFEWBJKN-VSKRKVRLSA-N 431.577 2.559 0 40 IFAB NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cc1 585150202 GKMZVGSTSLACTB-UHFFFAOYSA-N 426.498 2.551 0 40 IFAB O=C(NC[C@H]1CCCN1CCCO)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 1668276765 JIQRARZGIRAWJA-GOSISDBHSA-N 431.924 2.956 0 40 IFAB CCc1ccc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)cn1 2055793305 NGJOWIIZLYNNPW-DEOSSOPVSA-N 436.560 2.777 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3373254 YQISFWOGHFWUDG-UHFFFAOYSA-N 444.443 2.818 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1cc(Cl)c(OC)c(OC)c1 3451225 RDCNEVUSDBMQJK-UHFFFAOYSA-N 443.861 2.931 0 40 IFAB O=C(CNC(=O)C(=O)NCc1ccco1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 8850551 NTIIZQPOYXBMRH-HXUWFJFHSA-N 425.872 2.571 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(C)C)C(=O)O 8877380 JZLWYSPHIJJBDU-FCLVOEFKSA-N 446.548 2.819 0 40 IFAB biogenic C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 9056659 ZRSOSHJILVYIKG-GKVSMKOHSA-N 445.475 2.563 0 40 IFAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9415314 SDEHAMYVZNRKDC-UHFFFAOYSA-N 447.944 2.838 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc(C(F)(F)F)c1 9664874 IFRJPJBLDSGTHY-UHFFFAOYSA-N 432.420 2.982 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9729482 OMROKDBGHRSBJK-FQEVSTJZSA-N 427.526 2.679 0 40 IFAB COC(=O)c1ccc(NC(=O)c2nnn(Cc3cccc(Br)c3)c2N)cc1 9749034 PWTCIXHLDMPTCE-UHFFFAOYSA-N 430.262 2.710 0 40 IFAB COc1ccc([C@@H]2CCCCCN2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 9789204 SQTKFTOKFRMNTM-QFIPXVFZSA-N 445.585 2.619 0 40 IFAB COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)cc1Cl)C(C(=O)OC)=C(N)O2 10166048 DIYCEQIDQSUAHA-HNNXBMFYSA-N 439.295 2.978 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 10542052 QTMWZTUODISSGG-UHFFFAOYSA-N 444.553 2.628 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1 11671323 GGIMCJKVRKOXSC-GOSISDBHSA-N 436.917 2.914 0 40 IFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)c4ccc(F)c(F)c4)nn23)c1 11693901 LCHIEKIDVGBCMJ-UHFFFAOYSA-N 425.395 2.887 0 40 IFAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)CCn4cncn4)CC3)C1)c1cccn1-2 12086235 HLMQUGSCILHTCV-XMMPIXPASA-N 448.527 2.570 0 40 IFAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 12229950 WSGOUKXPEDQZPF-UHFFFAOYSA-N 443.573 2.650 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)cc1 12520960 GSBHSBGVFZDIEY-UHFFFAOYSA-N 431.558 2.636 0 40 IFAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548409 FBBPETIDHUSDPS-CYBMUJFWSA-N 431.445 2.977 0 40 IFAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 13129479 CMPRXYPQQQMZDU-UHFFFAOYSA-N 447.509 2.584 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(Cl)c(Cl)c1 13566733 XUQMFLCXPLOYIH-UHFFFAOYSA-N 445.324 2.800 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c1C 14129598 HUMWQQAFKQRMDF-UHFFFAOYSA-N 439.468 2.944 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 14226820 FVQKNGHAJSGOIJ-RMKNXTFCSA-N 427.570 2.845 0 40 IFAB O=C(NCCc1ccc(Br)s1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 14810171 CHVJTHZXCODQSA-UHFFFAOYSA-N 432.365 2.596 0 40 IFAB C[C@H](CNS(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 15081322 LENCUNYTTMYRJV-JWEZACLISA-N 432.586 2.942 0 40 IFAB COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)N(C)C)cc1 15387765 OUSRBAFGAQEEJC-IBGZPJMESA-N 448.361 2.997 0 40 IFAB O=C(N[C@H](ON1C(=O)[C@H](O)Oc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 16476697 CRHXCVKJKBPJKB-HZPDHXFCSA-N 431.659 2.788 0 40 IFAB CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@H](c2ccccc2)C1 18030313 TUPXLMWYCKYIEY-NRFANRHFSA-N 445.560 2.742 0 40 IFAB Cc1ccc2nsnc2c1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19221696 KMXAFNVBMQBLTR-UHFFFAOYSA-N 432.575 2.886 0 40 IFAB O=C(CCn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19406124 IAMIQPDDJDJCAE-OAQYLSRUSA-N 438.576 2.801 0 40 IFAB O=C(CCN1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1)N1CCOCC1 19692880 LSNOGUVUNSTFMS-QFIPXVFZSA-N 429.948 2.948 0 40 IFAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19751883 MDMTZIDQVHVDTG-NRFANRHFSA-N 438.528 2.562 0 40 IFAB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566961 AQBCUPGBFSNXOC-KKPNIWNPSA-N 442.519 2.930 0 40 IFAB CSc1nnc(NC(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 27913403 FNFIITBJGKXDPB-UHFFFAOYSA-N 425.967 2.981 0 40 IFAB COc1ccc(N[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1S(=O)(=O)N(C)C 28853258 AMWZGYVZGGMAMO-AWEZNQCLSA-N 445.541 2.538 0 40 IFAB O=C(COC(=O)/C=C/c1c(Cl)nc2sccn12)NC(=O)Nc1ccc2c(c1)OCO2 40010039 OJULZWQVGJWDCN-DUXPYHPUSA-N 448.844 2.683 0 40 IFAB Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)no1 40015981 SPRCJAYVJRYXHA-UHFFFAOYSA-N 448.545 2.637 0 40 IFAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(-n2cccn2)nc1 40040741 ZOVZKKMJQZVGCG-UHFFFAOYSA-N 434.525 2.624 0 40 IFAB COc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44907152 JGLJAXVPUCSJCE-IBGZPJMESA-N 438.933 2.625 0 40 IFAB O=C(NCc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 48331774 FCUJURBNPUXENB-UHFFFAOYSA-N 441.507 2.618 0 40 IFAB COc1ccc(CCNC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1OC 57477907 HOFWSMIQGCTOGE-UHFFFAOYSA-N 425.460 2.734 0 40 IFAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351740 BXBYVONCSVQTCJ-GOTSBHOMSA-N 448.567 2.607 0 40 IFAB O=C1CCCN1CCOCC(=O)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 72375545 BPXAVNTZHQPQLA-SFHVURJKSA-N 427.480 2.662 0 40 IFAB CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 78869313 SYMOHWGCVKWTJE-ZWKOTPCHSA-N 432.517 2.548 0 40 IFAB Cc1ccccc1CN1CCCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 84243904 RFXHZLVNRWXALW-ONTIZHBOSA-N 430.618 2.755 0 40 IFAB O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 84618182 BGVWYBFLUWPJNJ-UHFFFAOYSA-N 435.575 2.548 0 40 IFAB COc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1C(=O)NC(C)C 223001808 LTSUXYFIYMVAPM-UHFFFAOYSA-N 446.569 2.860 0 40 IFAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 223407331 VKLGXUFKYIZFGZ-QFIPXVFZSA-N 429.948 2.878 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 225619944 VDINJTSCICXNFC-HNNXBMFYSA-N 436.530 2.526 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225732652 NEDFIOPBNXUDQY-OAHLLOKOSA-N 428.432 2.944 0 40 IFAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)CCCN3C(=O)CNC3=O)C2)n1 257205396 AYVGWQAGKLQIBX-QGZVFWFLSA-N 436.516 2.567 0 40 IFAB CCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nc1C 257235550 GYGSSDJOKCHCNG-KRWDZBQOSA-N 440.544 2.809 0 40 IFAB Cc1nc2cc([C@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)N1CCOCC1 257253898 KASYPIOIQIGGAH-HSZRJFAPSA-N 448.571 2.870 0 40 IFAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2cccc(OC)c2)cc1 408560614 DQCBXYHJMOKFJI-UHFFFAOYSA-N 437.452 2.898 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 409066237 HPRMQCPYMLOJDR-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1c(C)cccc1C 409379188 VNKOPMJNBMHYOR-QGZVFWFLSA-N 435.484 2.896 0 40 IFAB Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1cccc(N3C(=O)NC4(CCCC4)C3=O)c1)C2 521948501 WUXPYMPRFIKKLS-GOSISDBHSA-N 448.527 2.511 0 40 IFAB CSCC[C@H](NC(=O)c1c(-n2cnnn2)sc(C)c1C)c1nnc2ccccn12 604418595 CTRZVFLJYCDKCJ-ZDUSSCGKSA-N 428.547 2.608 0 40 IFAB O=C(NCc1ccncc1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595983 XGINJFBQYLYWHL-GIWBLDEGSA-N 425.504 2.945 0 40 IFAB COc1ccc(-c2ncnc(N3CCN(C(=O)Cc4c(C)noc4C)CC3)c2F)cc1 1775974474 HHRILMBLUDQIAY-UHFFFAOYSA-N 425.464 2.787 0 40 IFAB CC[C@H]1CCCCN1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1 2433407 SVULNGAEWAIQRI-HNNXBMFYSA-N 433.530 2.968 0 40 IFAB O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4004903 WNVMTNHPFYTUMJ-UHFFFAOYSA-N 434.540 2.538 0 40 IFAB CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O 6089656 KJCHFQOTHGBLAW-ZDUSSCGKSA-N 431.924 2.683 0 40 IFAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 8725349 YNYUUCIHSSJSRC-UHFFFAOYSA-N 436.541 2.508 0 40 IFAB COc1ccc(CNC(=O)COC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 8824790 CSXKYXIUQQFYEG-UHFFFAOYSA-N 436.917 2.880 0 40 IFAB COC(=O)C1CCN(C(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)CC1 8879671 PTCUNTNDRJMBNI-UHFFFAOYSA-N 443.496 2.995 0 40 IFAB biogenic COc1ccc(OC)c2sc(N3CCN(S(=O)(=O)c4cccs4)CC3)nc12 8967140 SSGDYGRZLKYRNI-UHFFFAOYSA-N 425.557 2.886 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1 9222187 CCWFUYTTXHCSFJ-UHFFFAOYSA-N 430.555 2.913 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 9442868 RMWBDBKXPXFZJJ-HXUWFJFHSA-N 432.432 2.590 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 9986645 CPMDJFUTIYUKDJ-OSPHWJPCSA-N 431.496 2.825 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 10288518 SIALJSNZEZMMRO-UHFFFAOYSA-N 449.381 2.997 0 40 IFAB O=C(NCc1ccc(C(F)(F)F)cc1)c1nc(CS(=O)(=O)c2ccccc2)no1 12376824 WJCKJEOBRBPILE-UHFFFAOYSA-N 425.388 2.992 0 40 IFAB COc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c2nccn2C)cc1 12520716 JSMWBORMYIOSOA-HXUWFJFHSA-N 442.541 2.507 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)ccc1C 13029679 ZXVDCRJRUWUJEL-UHFFFAOYSA-N 440.543 2.833 0 40 IFAB O=C(Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O)N1CCOCC1 13719427 FZQOKAUSQZAZCR-UHFFFAOYSA-N 436.493 2.614 0 40 IFAB O=C([C@@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 15604443 QQWVAMAYCSQBRA-SFHVURJKSA-N 440.443 2.542 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 16009951 DAOJFFLKJUBXET-JVGYHMDPSA-N 425.485 2.504 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 16685046 HXBUYEDMYNAGKR-LJQANCHMSA-N 440.887 2.874 0 40 IFAB Cc1cc2nc(C)c(CCC(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)c(C)n2n1 19357650 ANMWHZGBHHNBKD-UHFFFAOYSA-N 425.876 2.992 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccccc1 19632739 HCCYBOLXZWVINL-WOJBJXKFSA-N 440.931 2.868 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(C)CCC3)c(C)n1 19706097 MFHKQVFSTXDLHH-SFHVURJKSA-N 432.594 2.998 0 40 IFAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1 19708393 TYEWJUCNRZDSPW-QGZVFWFLSA-N 444.601 2.648 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CCN(C)C2 19708819 BFYQUDNZTYQROF-INIZCTEOSA-N 427.524 2.820 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N3CCN(CCc4ccccn4)CC3)c(=O)oc2c1 20646842 XRRWWMUMRIXYHK-UHFFFAOYSA-N 435.524 2.825 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2F)n1N 21097439 CNDMJTMITVVKKV-LBPRGKRZSA-N 426.477 2.654 0 40 IFAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CCCN(Cc2ccccc2)CC1 22611179 NZZMLONBGQAAMD-CPNJWEJPSA-N 427.570 2.701 0 40 IFAB Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)no1 25329687 PLOIXZCZAPDTFA-UHFFFAOYSA-N 440.525 2.742 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCCCCOc1ccc(F)cc1 25342044 IMVRGEHGUFVKFN-GOSISDBHSA-N 439.509 2.559 0 40 IFAB O=C(CSc1ncnc2ccccc12)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 25929557 FTGBNKQQWXSGHC-AWEZNQCLSA-N 433.580 2.999 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H](c2cccs2)N(C)C)C(C)C)c1 27676168 FUTDVGCLRMYCNB-AZUAARDMSA-N 433.574 2.939 0 40 IFAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 32095472 BFOBFKLWCPQKMC-KXNSMUHISA-N 427.501 2.653 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)C1 32805987 SEEIOXKGHDVQFJ-YRPNKDGESA-N 432.584 2.514 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cc1 32868730 YNRRCJWYHPGHHX-CQSZACIVSA-N 431.470 2.579 0 40 IFAB CC[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O 32947224 AJTFAPPQWZJZOY-QWRGUYRKSA-N 428.352 2.547 0 40 IFAB CSc1nc2nc(C)c(CC(=O)NCc3ccc(-n4nc(C)cc4C)nc3)c(C)n2n1 40145585 WZOQMAVEVQACOY-UHFFFAOYSA-N 436.545 2.519 0 40 IFAB C[C@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 44871868 FCVYBHWQVRBFEC-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318367 OHCZCQOEWDJONA-QHCPKHFHSA-N 434.540 2.907 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3OC)c(=O)c3sccc32)cc1 57490750 GEXPRLRTIUEQRR-UHFFFAOYSA-N 437.477 2.870 0 40 IFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N[C@H](C(=O)O)c1ccccc1 71333008 CNUNCEQHGXLPHP-IBGZPJMESA-N 442.269 2.615 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 84692178 IDRLNYZFMULJKG-CYBMUJFWSA-N 432.874 2.913 0 40 IFAB COc1ccc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)c(OC)c1OC 85876224 LEKLGAYQDLJCEW-UHFFFAOYSA-N 430.409 2.827 0 40 IFAB biogenic O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 95351750 ALKJEYNSWGETEL-UEXGIBASSA-N 428.492 2.914 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)N[C@@H]3CCC[C@@H]3C(=O)O)cc2)cc1 95970126 XTEDWTVICROTBJ-PQVOINGWSA-N 444.509 2.879 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233633 PEPVHGJNVGBOSM-INIZCTEOSA-N 441.576 2.724 0 40 IFAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1 100819990 CIDCRIMIHOEDLH-IRXDYDNUSA-N 429.542 2.641 0 40 IFAB C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)N1CCCCCC1 101480825 NSCTWIWQFBGWJF-SLFFLAALSA-N 449.617 2.679 0 40 IFAB CCn1ncc(-n2c(S)nnc2C23C[C@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)c1C 102639221 VLDXSBXWISHEAJ-SNEKZUEESA-N 425.566 2.623 0 40 IFAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(C)ccc1OC 139119245 YSHGITFKPHSHGR-HUUCEWRRSA-N 439.516 2.920 0 40 IFAB COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225156181 QWXRFBVRQUUTJH-GOSISDBHSA-N 444.509 2.713 0 40 IFAB Cc1ccc(N([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl 225274399 BCAYWBBICZWYKU-GOEBONIOSA-N 438.933 2.759 0 40 IFAB Cc1cccc(C)c1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 225777225 WFFPSTIMIWLKDT-UHFFFAOYSA-N 430.570 2.934 0 40 IFAB COc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 226065661 SANQOOBBQDTYMK-UHFFFAOYSA-N 426.922 2.636 0 40 IFAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1 257207292 BHCSITJBAALILM-GOSISDBHSA-N 431.558 2.559 0 40 IFAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccccc2CN2CCCCC2)C1 257283857 PADRITBKCMTVBY-GOSISDBHSA-N 444.601 2.894 0 40 IFAB CN(C[C@@]1(O)CCN(c2cccc3nccn23)C1)C(=O)c1ccc(CN2CCCC2)cc1 257304254 SKTDKJMKGMSASU-VWLOTQADSA-N 433.556 2.644 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCc2nc(C(C)C)no2)(c2ccccc2)CC[C@@H]1O 257309224 UAALKEJMHUBZOO-SKPFHBQLSA-N 442.560 2.619 0 40 IFAB Cn1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)n1 306133235 MGFLBZWGOYJNBX-UHFFFAOYSA-N 446.555 2.903 0 40 IFAB Cc1cccc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)c1 306143251 XXCLNCGGWFMQGK-RTWAWAEBSA-N 436.537 2.621 0 40 IFAB COc1ccc2c(c1)CC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C2 680058807 NANRNEIBUXYTFY-PKOBYXMFSA-N 434.583 2.974 0 40 IFAB Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 2693564 FTFFMWZCZKQYBN-WBVHZDCISA-N 435.596 2.709 0 40 IFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc[nH]1 3377924 KPTBSBXPXBOLEM-UHFFFAOYSA-N 444.431 2.860 0 40 IFAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3404739 XKUPUMZOZVHMSL-UHFFFAOYSA-N 430.468 2.726 0 40 IFAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(S(=O)(=O)c3ccccc3)C1)C2)c1ccco1 5437960 CPLFNHBZEPLUKQ-JKSUJKDBSA-N 439.493 2.502 0 40 IFAB biogenic,in-vitro COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 8604900 WHKMMPYVAZVFKB-UHFFFAOYSA-N 448.454 2.701 0 40 IFAB CNC(=O)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 9195535 TZUKVUCGBJXZGO-UHFFFAOYSA-N 447.413 2.685 0 40 IFAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9303947 MZVWRUPUDMQSLC-INIZCTEOSA-N 445.516 2.992 0 40 IFAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(OC)c(OC)c2)cc1 9344372 JQGJDPIJNCHTMK-ROUUACIJSA-N 448.566 2.987 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(=O)OC)C1 9347569 YVGUYLLMDVNOTP-HNNXBMFYSA-N 446.481 2.828 0 40 IFAB COC(=O)c1cnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)s1 9469770 AGPPTGAIUQBHNR-UHFFFAOYSA-N 434.499 2.663 0 40 IFAB COc1ccc(CCNC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)cc1OC 9661334 ZIXSEZNALJTFKD-UHFFFAOYSA-N 432.480 2.666 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)cc3C)C2=O)cc1Cl 9674978 OFCXBSSECDPKIU-MOPGFXCFSA-N 441.875 2.897 0 40 IFAB CCn1c(CCC(N)=O)nnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 9796767 XYKCEXNWPNDRRI-UHFFFAOYSA-N 445.545 2.878 0 40 IFAB COc1ccc(C(=O)N2CCC(N[C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 9933866 AIPMWMAWCQNJRO-FQEVSTJZSA-N 441.915 2.875 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 10008525 HDCXFTWYDGQZRD-INIZCTEOSA-N 432.498 2.521 0 40 IFAB CCOC(=O)C1=C(COc2ccc(Cl)cc2C(N)=O)NC(=O)N[C@@H]1c1cccs1 11267588 RZUVFPZWSYKBII-MRXNPFEDSA-N 435.889 2.751 0 40 IFAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cc(Cl)ccc2Cl)=C1 12155177 SLVZVJYMGASXOQ-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCCn3nccc3C)CCOCC2)C1 12156946 FVCXEPYYSLIHEH-SFHVURJKSA-N 426.517 2.696 0 40 IFAB O=C(Cc1ccsc1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 12572498 BESLHAHUIFYJPL-UHFFFAOYSA-N 446.532 2.831 0 40 IFAB Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 12778221 XEJOGZPAHRTQBE-UHFFFAOYSA-N 436.556 2.515 0 40 IFAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 13061383 NPSCWKQXOGTLKN-UHFFFAOYSA-N 444.509 2.505 0 40 IFAB Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 13098798 LBZQMGCQGBIHNC-SCWSEQNSSA-N 432.567 2.844 0 40 IFAB O=C(COC(=O)CCC1=NC(=O)[C@@H]2C3=C(CCC3)S[C@@H]2N1)NCc1ccc(Cl)cc1 14136193 SIOMVONNCLDFPR-FPOVZHCZSA-N 447.944 2.935 0 40 IFAB COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccc(Br)cc2)N(C)C)cc1 15387764 OUSRBAFGAQEEJC-LJQANCHMSA-N 448.361 2.997 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)c1 15421371 LAIYRSQPOVDRDW-UHFFFAOYSA-N 429.542 2.847 0 40 IFAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)n1 19285825 MDORKMJVMPHYQD-AWEZNQCLSA-N 440.573 2.824 0 40 IFAB CN(Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1)C(=O)c1ccccn1 19700972 SDTFFTBDXQHTGO-INIZCTEOSA-N 448.502 2.869 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(CC(=O)N(C)C2CCCCC2)CCO1 19702720 JAKWABFOZOJGPT-KRWDZBQOSA-N 430.574 2.820 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 19707369 WDOMZBKSGSMBCM-KRWDZBQOSA-N 449.964 2.602 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19707892 MBTVYYZBCRZAQY-SFHVURJKSA-N 439.535 2.901 0 40 IFAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1 19708392 TYEWJUCNRZDSPW-KRWDZBQOSA-N 444.601 2.648 0 40 IFAB CN1CCc2nc([C@@H]3CCCCN3C(=O)COc3ccc(F)cc3F)nc(N(C)C)c2C1 19710367 DIECFUBSMCEPCQ-IBGZPJMESA-N 445.514 2.941 0 40 IFAB O=C(NCc1ccccc1N1CCCC1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19748019 KBAHYVYRSRPJLS-GOSISDBHSA-N 431.533 2.753 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)Cn1cccc(C(=O)NCc2ccccc2)c1=O 19749955 YKHVROLWYBMOAC-UHFFFAOYSA-N 441.491 2.818 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1 19857852 OOIILCUJLZWAGJ-SFHVURJKSA-N 430.526 2.962 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccs1 20559099 MYOHWRUVDAWMAA-HXUWFJFHSA-N 432.590 2.870 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C(F)(F)F)n(C)c3=S)CC2)c(C)c1 21322011 WSZSGFZHKZKRMO-UHFFFAOYSA-N 449.524 2.551 0 40 IFAB C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N1CCc2ccccc2C1 21327681 QBUOKKUNGJXNLC-SFHVURJKSA-N 433.508 2.920 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1C 22225182 VSULLISDCBPQLW-ZDUSSCGKSA-N 439.559 2.817 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)Cn2c(C)csc2=O)c1 22559304 DXZKJSNRQYJUSN-UHFFFAOYSA-N 441.575 2.675 0 40 IFAB COc1cccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)c1OC 23139287 BBEAJDSINBOAAI-UHFFFAOYSA-N 442.497 2.809 0 40 IFAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)s1 23141737 SFNZIMLDZBNFDQ-UHFFFAOYSA-N 433.603 2.636 0 40 IFAB O=C(CN1C(=O)CCOc2ccccc21)Nc1cc2c(cc1Br)OCCO2 26782073 ORYGUAWTEFPOPF-UHFFFAOYSA-N 433.258 2.975 0 40 IFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 27124113 YIRHRTSLEGDRKK-UHFFFAOYSA-N 435.933 2.647 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)O2 30942610 AHFZQKMZGDOLOC-LJQANCHMSA-N 445.541 2.689 0 40 IFAB O=C(C1CC1)N1CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 32837525 OIANYYGBVVTCCV-UHFFFAOYSA-N 437.327 2.688 0 40 IFAB O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 32900971 GMOOESHEJHGVSY-GFCCVEGCSA-N 444.376 2.623 0 40 IFAB Cc1nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)cc(N2CCOCC2)n1 38488296 IPOLACYMCCAJLG-UHFFFAOYSA-N 440.331 2.536 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1C 49406327 HTWXKSOMNYHJCL-UHFFFAOYSA-N 447.495 2.647 0 40 IFAB Cc1sc2ncnc(SCCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1C 49545755 QEVCXNRZRJDCHM-UHFFFAOYSA-N 436.584 2.754 0 40 IFAB CCOc1ccc(-n2ccn(CC(=O)NCc3ccc(F)c(Cl)c3)c(=O)c2=O)cc1 67256152 QUPFNGDSMIRUQQ-UHFFFAOYSA-N 431.851 2.507 0 40 IFAB Cc1nc(CCNC(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)sc1C 95418782 DTKKFAQCVRAVSZ-AWEZNQCLSA-N 439.607 2.978 0 40 IFAB COCCCn1ccc(NC(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)n1 95461252 GABICQWCCSIPNR-UHFFFAOYSA-N 436.394 2.701 0 40 IFAB CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)c2ccc(Cl)cc2)CC3)C1=O 96144042 UDUUTXPNMQOGJZ-HSZRJFAPSA-N 439.947 2.721 0 40 IFAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O 96262669 DXECHWQFKSPDRO-XMMPIXPASA-N 434.544 2.850 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139112 WRIFRSPQDJHICX-AUUYWEPGSA-N 446.511 2.711 0 40 IFAB COc1ccc(-c2csc(C3=C(O)CN(CCN4CCOCC4)C3=N)n2)cc1OC 102733246 OXFJIYMRZCZUNO-UHFFFAOYSA-N 430.530 2.721 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](C(=O)c2ccc(Cl)cc2)n2ccccc2=O)CC1 199415569 VTUDDJRVLTZXAF-LJQANCHMSA-N 430.888 2.727 0 40 IFAB COc1ccc(CCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1OC 219726746 BPIDKUJGCHSEQS-UHFFFAOYSA-N 434.558 2.854 0 40 IFAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220601826 AHGJTCQBYFCPHT-HNAYVOBHSA-N 438.521 2.963 0 40 IFAB CCOc1ccc(N([C@@H](CC)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 220666650 ZDSKPWMHEYAUOD-QFIPXVFZSA-N 445.585 2.979 0 40 IFAB COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(C(=O)CCc3ccccc3)C2)cc1 306140874 VFYOAJPJWFDRDI-RUZDIDTESA-N 430.508 2.821 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c(C)c1 408668175 VAGTZIMYJUUCMR-NHUSPQTBSA-N 426.513 2.841 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 408701368 WTTIVKSUXUKRTO-GOSISDBHSA-N 431.558 2.931 0 40 IFAB CCC(=O)Nc1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 520018964 WDTVQPHHGKHWEH-UHFFFAOYSA-N 440.499 2.779 0 40 IFAB C[C@@]1(c2cccc(C(=O)N3CCC[C@H](c4n[nH]c(-c5ccccc5)n4)C3)c2)NC(=O)NC1=O 540850913 IVZBEBJZHMNYII-XDHUDOTRSA-N 444.495 2.546 0 40 IFAB O=C1CN2CCN(C(=O)c3nccs3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594608 PHNARWBVSDLABA-SFHVURJKSA-N 434.521 2.968 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(OC)ccc3OC)CC2)cc1 783935 VHSYGKLJLDSIIN-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB NC(=O)C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 1440068 GRBNEEWJSVWWJR-CQSZACIVSA-N 437.308 2.516 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1OC 2305426 DUBSORMYUKZIFB-SQWSFHKJSA-N 438.505 2.708 0 40 IFAB COc1ccc2cc(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 6176809 BIVQUQVSSYLWEW-HXUWFJFHSA-N 438.553 2.987 0 40 IFAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c(C)c32)c1C 8764893 WDQMALAQNAYLIS-OAHLLOKOSA-N 431.510 2.961 0 40 IFAB biogenic CC(C)Cn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nc2ccccc21 9115575 PGCMVUQBNCDXFV-UHFFFAOYSA-N 428.558 2.972 0 40 IFAB COc1ccc(O)c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(CCN(C)C)c2)c1 9244376 SSCHAAJPONCOGE-UHFFFAOYSA-N 432.480 2.898 0 40 IFAB O=S(=O)(c1ccc(SCc2cc(Cl)c3c(c2)OCCO3)nc1)N1CCOCC1 9244609 RKJWSBACYZLFFV-UHFFFAOYSA-N 442.946 2.819 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)c1ccccc1 9303571 HRIUFRFTCFQMRZ-ZBFHGGJFSA-N 430.555 2.969 0 40 IFAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc21 9356533 ATFSLRQMRFWTQJ-UHFFFAOYSA-N 436.493 2.930 0 40 IFAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)OCc3ccccc3)c2=O)cc1OC 9616130 OVVOBCPUDNVSCO-UHFFFAOYSA-N 446.459 2.913 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C)c(C)c1 9806463 UGFPDESYPJBPEO-LJQANCHMSA-N 443.569 2.828 0 40 IFAB Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1 9829415 SUNGDNALKWQZQI-UHFFFAOYSA-N 430.306 2.866 0 40 IFAB Cc1ccccc1-n1c(SC[C@@H](O)COc2ccccc2)nnc1N1CCOCC1 10350263 AJUZLDXFJQURIN-SFHVURJKSA-N 426.542 2.944 0 40 IFAB CCCOc1ccc(OCCOC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 10734382 MXOLZRXMYYZCCP-UHFFFAOYSA-N 449.525 2.732 0 40 IFAB Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccccc4F)n3N)CC2)c1 11554229 QTLZXNPNZOVFQY-UHFFFAOYSA-N 426.521 2.547 0 40 IFAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 12545263 KLDRACAJPQYKPE-UHFFFAOYSA-N 439.541 2.974 0 40 IFAB COc1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 12682809 SCKHUZDFAANDHD-MCMMXHMISA-N 433.505 2.788 0 40 IFAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc(C(C)(C)C)cs2)c1 12711892 XHJJUZAWAQQIPX-UHFFFAOYSA-N 432.531 2.934 0 40 IFAB C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC(C(N)=O)CC1 12768253 DWGBKCZKRBKQTC-SECBINFHSA-N 433.144 2.736 0 40 IFAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12908725 ZTTSROYYYOVKAG-CQSZACIVSA-N 445.570 2.557 0 40 IFAB NC(=O)c1c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2c1CCC2 12985681 QDEOLZNDDOGUSV-HNNXBMFYSA-N 427.526 2.883 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 13003541 WXMOZSCOSXPVHL-UHFFFAOYSA-N 443.507 2.886 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccc(F)cc3)cc2c1 13512958 PAPMXJXPKSHAOS-LJQANCHMSA-N 446.500 2.582 0 40 IFAB CCOc1ccc(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC 13751715 UXYXLAAOJCIWQN-ODLFYWEKSA-N 439.493 2.790 0 40 IFAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)n2)cc1 13801209 NGZRMEBXENMDQS-KRWDZBQOSA-N 435.480 2.921 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 14242843 AHXAFGZPDGRFGY-MJGOQNOKSA-N 425.554 2.985 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 14254380 UDGFTCCKHILLQE-QKFKETGDSA-N 439.468 2.694 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cc1 14370503 VDUFMFCMLSOXLK-QHCPKHFHSA-N 434.452 2.540 0 40 IFAB Cc1nc(COc2cccc(C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)c2)cs1 14853724 YCQABVYSFPHPNZ-UHFFFAOYSA-N 449.540 2.670 0 40 IFAB Cc1c(OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc2c(-c3ccccc3)cc(=O)oc12 16702831 FLCHZMSPHZQWKG-QGZVFWFLSA-N 441.505 2.793 0 40 IFAB biogenic COc1ccccc1CCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1 19448480 XQGLZMRYIUAHEJ-UHFFFAOYSA-N 438.572 2.884 0 40 IFAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)n1 19693193 HOPOIHHNLMVNOR-INIZCTEOSA-N 438.507 2.867 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 19707440 ZOCNWIBXXWOBAQ-HXUWFJFHSA-N 443.573 2.566 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1C 20009033 OHDKAUUIEXSQAX-NRFANRHFSA-N 448.585 2.825 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 20011994 YPTWFPDSEGYFAY-CYBMUJFWSA-N 441.347 2.956 0 40 IFAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1 20020591 JMPWOVIMLFBZCE-OAHLLOKOSA-N 438.933 2.617 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)c1 20111169 JJCBMMCQDMELBL-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB Cc1ccc2nc(NS(=O)(=O)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)sc2c1 21010594 QNYQNXUQHUFZDM-CYBMUJFWSA-N 440.572 2.578 0 40 IFAB Cc1nc(CSc2ccc(C(=O)N3CCCN(CC(=O)N(C)C)CC3)cc2)cs1 24712096 AHSPELSYGQFHLR-UHFFFAOYSA-N 432.615 2.980 0 40 IFAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)CC1=O 25670295 GCHJBJYDMBRUQP-CYBMUJFWSA-N 435.477 2.506 0 40 IFAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 27934850 BJJVZEMECWUUJS-UHFFFAOYSA-N 428.392 2.751 0 40 IFAB COc1ccc([C@@H](CNC(=O)NCCOc2cccc(C)c2)N2CCOCC2)cc1OC 29338470 DSJODKWNWQRTLZ-OAQYLSRUSA-N 443.544 2.764 0 40 IFAB CCc1nn2c(=O)cc(CN(CC)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)nc2s1 32759241 RSLGLIPPIXWMEL-UHFFFAOYSA-N 430.921 2.625 0 40 IFAB Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 32991013 STXPDPYAFAFEPZ-OPTNLHPUSA-N 445.566 2.602 0 40 IFAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 33047647 SDONZMFGHCASRE-UHFFFAOYSA-N 448.488 2.968 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 35292615 SWJUTFJLMLCLLN-FQEVSTJZSA-N 435.977 2.825 0 40 IFAB CC(C)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 36384645 WBQPUHTWVCIUSA-GFCCVEGCSA-N 441.903 2.578 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccco2)Oc2ccc(Cl)cc21 38852135 IOMXSNQRYFLWAT-MRXNPFEDSA-N 430.935 2.510 0 40 IFAB O=C(NCCCC(=O)N1CCC[C@H](C(=O)Nc2nncs2)C1)c1ccc(Cl)cc1 40151022 WLZGCOXLOTZHAH-AWEZNQCLSA-N 435.937 2.579 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@@H]1c1ccccc1 57414242 NQXABCZTFGLNQI-HSZRJFAPSA-N 434.540 2.907 0 40 IFAB CCn1c2cc(C)oc2c2cnn([C@@H](C)C(=O)N3CCC(O)(c4ccncc4)CC3)c(=O)c21 57731419 VIIMMADTZIOPKC-INIZCTEOSA-N 449.511 2.739 0 40 IFAB CCN(CC)[C@@H](CNS(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccccc1Cl 60062056 CFJFFGRZBKXKGD-IBGZPJMESA-N 434.953 2.677 0 40 IFAB CCn1c(SCC(=O)Nc2cccnc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 72191591 QIPHIBAWXRPJIK-CQSZACIVSA-N 440.529 2.923 0 40 IFAB C[C@H](c1ccc2c(c1)OCCCO2)N(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C1CC1 72274686 ZEJWSNKLFPCMHR-FATZIPQQSA-N 427.501 2.620 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccccc3N3CCC(O)CC3)ccc21 78624194 URFKVSVOQUQSAH-UHFFFAOYSA-N 429.542 2.612 0 40 IFAB CC(C)COC(=O)N1CCC(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)CC1 89840251 BTAVIGCJPWNLPJ-UHFFFAOYSA-N 430.549 2.555 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 96083085 OWJLIACUIRMBPD-BVAGGSTKSA-N 449.599 2.609 0 40 IFAB CCCC(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCC5)C4)nn3c(O)c2C1 100234491 SFUGLFXUAXKVFW-INIZCTEOSA-N 425.533 2.626 0 40 IFAB O=C1NCCCc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)sc21 211128612 OMHJUJQQQNRIAQ-JTQLQIEISA-N 449.330 2.573 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)ccc1Cl 220172651 GKMXKJHMUWSSEK-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1C 220452155 ASXXGQUKLIDEHT-GFCCVEGCSA-N 426.441 2.853 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)CN2S(C)(=O)=O 223139237 BKBSVAHIHQSHEE-KRWDZBQOSA-N 428.432 2.857 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)s2)cc1 225088834 BJPRETAZDJYURR-UHFFFAOYSA-N 436.490 2.758 0 40 IFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC 225353982 VOQOJYNVSFIOQW-ZFWWWQNUSA-N 443.880 2.871 0 40 IFAB CCS(=O)(=O)N(C)c1cccc(C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)c1 225965291 GCPPCNCOQKRBFZ-UHFFFAOYSA-N 436.530 2.771 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCC[C@@H](C)C3)CC1)O2 248334566 LTILUIFHQLGOCN-QZTZHPFYSA-N 427.545 2.516 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 253601850 FXGCNPNVFBQWKA-PFBKUSTMSA-N 442.556 2.809 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1 257244406 ILDXTCHQGHUKDX-FQEVSTJZSA-N 432.524 2.798 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)c(C)n1 257245179 IOKBQVUUIBRJHD-KRWDZBQOSA-N 428.518 2.507 0 40 IFAB CSc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1 408609532 TYBMISZERDGYMI-HNNXBMFYSA-N 436.555 2.835 0 40 IFAB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1C 408612793 YWDPAZXLNGINLQ-UHFFFAOYSA-N 427.320 2.935 0 40 IFAB O=C1C[C@H](c2cc(Br)ccc2OCC(=O)Nc2ccccc2)N2NC=NC2=N1 409376888 DTWPTHHQBQBKKF-OAHLLOKOSA-N 442.273 2.643 0 40 IFAB O=C1C[C@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CN1Cc1cncs1 585103647 LHPILRRRTFYCBU-OAQYLSRUSA-N 441.582 2.913 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)c1 585105081 XONMDJRPFWEQCI-TXTKFYIRSA-N 446.588 2.950 0 40 IFAB CCOC(=O)c1sc([C@@H]2CCN(S(=O)(=O)c3cn(CC(C)C)cn3)C2)nc1C 1194138139 HHUIBHJGFFRFIH-CQSZACIVSA-N 426.564 2.659 0 40 IFAB O=C(c1ccc(N2CCCCC2)nn1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888890561 OLJXJDHMBXVBOP-OPAMFIHVSA-N 426.496 2.717 0 40 IFAB CCn1c(CCC(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)nc2ccccc21 2037880233 WBOPRCKHQYJOGG-QHCPKHFHSA-N 425.508 2.671 0 40 IFAB CC(C)CNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 891287 BHUDLWMQMBRXDK-KRWDZBQOSA-N 431.558 2.811 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)Nc1ccc(F)cc1)OCO3 6445572 UBEJVFVSNWEPIH-UHFFFAOYSA-N 429.473 2.977 0 40 IFAB COc1ccc(NC(=O)CSc2nc(O)cc(NS(=O)(=O)c3ccccc3)n2)cc1 8582926 QFQKHZIFKGTBCE-UHFFFAOYSA-N 446.510 2.722 0 40 IFAB aggregator O=C(NCCc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 9059476 WIGNBVAGFMPULN-UHFFFAOYSA-N 448.545 2.590 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3F)n2C)c1 9190123 GFOKHBPOSFXDHD-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O 9263034 IPBRFHRVUSGQLF-KEXZDQNZSA-N 433.223 2.595 0 40 IFAB CCS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)nn1 9572708 MJQAUOKSSUDYBD-UHFFFAOYSA-N 433.511 2.747 0 40 IFAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 9716640 LXDOWMUGHCMKBN-UHFFFAOYSA-N 438.527 2.750 0 40 IFAB Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1cccnc1 10521434 GPNXIEBGVXFAOC-UHFFFAOYSA-N 441.261 2.825 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc1 10754653 NTLHZIWAHDZMNB-UHFFFAOYSA-N 432.542 2.535 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC(N)=O)c2ccccc2)cc1 12792017 GTAWIQFJGQWPER-QGZVFWFLSA-N 429.542 2.772 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12904775 FRCZKVYGJUCCNW-OAHLLOKOSA-N 448.570 2.976 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 13001494 KDEGCJYJYYNTGR-SFHVURJKSA-N 426.494 2.507 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1CC(F)(F)F 13096916 FANJOBLIHUQNIK-KKUMJFAQSA-N 440.418 2.733 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)CCn2c(C)csc2=O)sc(C)c1CC 13101594 WUVPNBRXKBHTFF-UHFFFAOYSA-N 440.543 2.899 0 40 IFAB O=C(c1cc(F)ccc1Br)N1CCN(S(=O)(=O)c2ccccc2)CC1 14181353 RFSVGVHZUZSTAP-UHFFFAOYSA-N 427.295 2.735 0 40 IFAB O=C1N[C@H](c2cccc(Br)c2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 15906050 PIAWJZCYXTZLCX-XJKCOSOUSA-N 444.207 2.948 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]21)Nc1cccc(F)c1 18162417 LHBZJKUSTCADTK-JKSUJKDBSA-N 446.236 2.520 0 40 IFAB COC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 18372704 DQGKTOUZCAXUEE-XNKRGLCLSA-N 441.524 2.695 0 40 IFAB O=C(CN1CCC(c2ccncc2)CC1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19405050 QFDMNNQWLMEZNQ-UHFFFAOYSA-N 449.599 2.950 0 40 IFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 19708634 ZTFZVOJJGUCHIB-KRWDZBQOSA-N 429.590 2.691 0 40 IFAB CNc1nc(C2CCN(C(=O)c3c(C(C)C)noc3C)CC2)nc2c1CN(C(C)=O)CC2 19711410 BAWUODKBPPWMLE-UHFFFAOYSA-N 440.548 2.863 0 40 IFAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)Cc3nnc(N)s3)CC[C@]21C 19713702 CBGDNWQZUGCXAY-VGOFRKELSA-N 427.574 2.934 0 40 IFAB Cc1nc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19766177 GONCKRXKJRDLJG-HNNXBMFYSA-N 449.964 2.821 0 40 IFAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC(=O)NC(C)(C)C 22188651 KHFJDLQWMYFKMI-AWEZNQCLSA-N 431.562 2.567 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22529257 KHEKQMWVNNPTGO-JKSUJKDBSA-N 448.541 2.888 0 40 IFAB CCN1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 22929677 QTASYEJHAMFAKO-NRFANRHFSA-N 440.935 2.830 0 40 IFAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccccc3Br)cc2)CC1 23862698 QKWLTSYDHMZRRL-UHFFFAOYSA-N 439.331 2.885 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1CCCN1CCOCC1 24148133 TVIJWHZJRLPELF-OAQYLSRUSA-N 438.455 2.905 0 40 IFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 25252233 FGBQNOJFUILOMV-TZIWHRDSSA-N 445.560 2.617 0 40 IFAB Cc1cc(N2CCN(C(=O)CCn3cnc4c(C)cccc4c3=O)CC2)nc(C(C)C)n1 27161642 COYXBDXSROSBGV-UHFFFAOYSA-N 434.544 2.666 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 29144074 MBYWTAQPADBULW-UHFFFAOYSA-N 431.562 2.907 0 40 IFAB O=C(NCc1ccccc1CN1CCOCC1)C1CCN(C(=O)OCC(F)(F)F)CC1 29932032 CBTAWUDEOSAILX-UHFFFAOYSA-N 443.466 2.546 0 40 IFAB O=C(Cc1cc(Cl)cc2c1OCOC2)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 30256484 RNLDOMZPQLZKIG-MRXNPFEDSA-N 425.890 2.558 0 40 IFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1OC 30868118 UVIAXCLRYSAAMF-CQSZACIVSA-N 436.530 2.890 0 40 IFAB C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 31212841 VIHGVKOKEYVCOT-INIZCTEOSA-N 435.977 2.825 0 40 IFAB COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)c1 32731801 LDVLECYUDGLOOZ-QFIPXVFZSA-N 436.424 2.527 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 38834807 XRFJUBWSQDQXLE-SFHVURJKSA-N 440.905 2.913 0 40 IFAB Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 40390697 LNSSXFPWNHAHNJ-KRWDZBQOSA-N 429.480 2.706 0 40 IFAB CCn1c(SCCn2nc3ccccn3c2=O)nc2sc3c(c2c1=O)CCCC3 48343809 HFHVTARVQGNMMV-UHFFFAOYSA-N 427.555 2.958 0 40 IFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)c1 57490184 BHFUQDFVEMUUGP-UHFFFAOYSA-N 449.488 2.567 0 40 IFAB O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 67284306 QHYGARNGCMAVFI-UHFFFAOYSA-N 440.891 2.888 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 67287276 DZRATKYHBLYJOL-QFIPXVFZSA-N 444.551 2.947 0 40 IFAB O=C(CN1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2)NCc1ccccc1 67317634 FBITYXVPUKBZBO-UHFFFAOYSA-N 448.445 2.975 0 40 IFAB NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CSc1nc2ccccc2s1 89878631 RQJSCUYITMMZER-UHFFFAOYSA-N 428.539 2.963 0 40 IFAB O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)N1CCOCC1 90610195 LUINAGYYKJDCNI-UHFFFAOYSA-N 435.253 2.966 0 40 IFAB O=C(NCCCN1CCOCC1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037953 URJSIXDATCDCMK-UHFFFAOYSA-N 444.539 2.698 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)CCCn3cnc4ccccc4c3=O)cc2n1 100139097 USEUWEALGNUSQP-FQEVSTJZSA-N 446.511 2.851 0 40 IFAB CN(C)c1ncc(C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cn1 100688433 ZQQPJSDCZWOVTQ-OKILXGFUSA-N 438.557 2.955 0 40 IFAB COc1cc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc(OC)c1OC 222521228 NKGCMHQAJWQCSN-UHFFFAOYSA-N 442.921 2.692 0 40 IFAB CC(=O)c1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 222671941 ATQXWIOZBRTUHR-UHFFFAOYSA-N 432.498 2.845 0 40 IFAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC(=O)OCC)cc2)ccc1OC 222922449 WHSASUUTKKDGLH-UHFFFAOYSA-N 434.514 2.741 0 40 IFAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 223407264 VKLGXUFKYIZFGZ-JOCHJYFZSA-N 429.948 2.878 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3ccnc3)cc2C)cc1 224226419 SFHZTCCVHCLRGK-UHFFFAOYSA-N 442.541 2.845 0 40 IFAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224649796 XZHFXWXEMZDZAS-UHFFFAOYSA-N 435.498 2.857 0 40 IFAB COc1cccc(N(CCCC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 224691503 JBGCACGVPNNDAS-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(Cl)cc1 225111810 FYQKMFWRNQTRLK-CQSZACIVSA-N 426.922 2.698 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)n[nH]c1=O 225549155 GEYXTGGVIRIANS-MRXNPFEDSA-N 443.548 2.563 0 40 IFAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)CCOCC2)cc1 225568809 MCXMCCGVAFNJRQ-UHFFFAOYSA-N 438.524 2.920 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccccc4OC)C[C@@H]2C3)cc1 306125784 DCDCUXJHAJFNOC-ROUUACIJSA-N 433.512 2.852 0 40 IFAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 409388269 CQVUXDBKFOOTTG-GOSISDBHSA-N 432.542 2.729 0 40 IFAB O=C(C[C@]1(COc2ccc(F)cc2)CN(Cc2ccccc2F)CCO1)N1CCOCC1 585273449 OJALWRFGFVKVIP-XMMPIXPASA-N 446.494 2.864 0 40 IFAB Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccc(C)cc4)CC3)C2)cc1 585285274 WVUMQPQJFPKUQA-AREMUKBSSA-N 440.584 2.777 0 40 IFAB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(CCCc1ccccc1)CC2 643565520 HWKLTNKOAYWVDU-NRFANRHFSA-N 429.605 2.913 0 40 IFAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N(C)C[C@@H](O)CO)ccc21 643575012 AVTKZHCZSSINSJ-JOCHJYFZSA-N 433.593 2.639 0 40 IFAB C[C@@](NC/C=C/CN[C@@](C)(C(N)=O)c1cccc(Cl)c1)(C(N)=O)c1cccc(Cl)c1 674250314 MCHWYJWNLAZXJX-UFICKVLRSA-N 449.382 2.830 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)NC2COC2)C12CCN(Cc1cccnc1)CC2 1549168734 YWAPMLBWTLNAKD-HSZRJFAPSA-N 448.567 2.579 0 40 IFAB CCOP(=O)(CS(=O)(=O)c1ccc(OCCCN2CCOCC2)cc1)OCC 1857793874 NIEMPHLOLLQRFV-UHFFFAOYSA-N 435.479 2.785 0 40 IFAB CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1C(=O)c2ccccc2C1=O 2151366 HPTBZTZXWZMVHL-LLGFUMIMSA-N 433.508 2.505 0 40 IFAB biogenic O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)NCCc1ccc(F)cc1 2649609 YKXVOGQELMGIQN-UHFFFAOYSA-N 437.471 2.778 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)/C=C/c2cccc(F)c2)cc1 3211372 OECSCSKSLQYAAL-MDWZMJQESA-N 448.516 2.843 0 40 IFAB COCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C 6552145 UHDBNGRLQAVRRV-UHFFFAOYSA-N 441.513 2.960 0 40 IFAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)NC(C)C)n(C)n2)cc1OC 8635531 LIZLIABBAGNGSM-UHOSZYNNSA-N 441.576 2.990 0 40 IFAB biogenic,in-vitro O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCC1CCCCC1 8671157 NNIKRIPJCINMPU-UHFFFAOYSA-N 434.514 2.611 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCc3cccs3)cc1O2 8765302 QKRBOPKTGRKDMI-UHFFFAOYSA-N 428.510 2.790 0 40 IFAB biogenic CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 8834418 WLZITUKKHHQEKY-PAURTPPISA-N 429.263 2.751 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)NCc1ccccc1 9156467 QLVHXFZIIJYNCQ-UHFFFAOYSA-N 448.508 2.702 0 40 IFAB CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3 9244825 OTWLYTROWNMFBW-UHFFFAOYSA-N 430.570 2.965 0 40 IFAB COC(=O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 9260466 JAMYEDPAWUJDRJ-SXGWCWSVSA-N 445.294 2.771 0 40 IFAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)cc1OC 9290096 GFUHQHMAXMCZIL-UHFFFAOYSA-N 447.538 2.928 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)Cc2ccccc2)cc1 9316274 BQIPVQGOVHYDFN-QZTJIDSGSA-N 444.553 2.716 0 40 IFAB COc1cccc([C@H]2OCCn3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 9348252 GFKVANNGOUCSKP-HSZRJFAPSA-N 447.491 2.848 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 9495198 NHKKPDNSCAAPKX-MZNJEOGPSA-N 437.496 2.696 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9742925 PGFAFIUASPOXDJ-IBGZPJMESA-N 429.542 2.683 0 40 IFAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)N1CCNC1=O 9778598 RGRUHFZLVMFRAK-ZDUSSCGKSA-N 437.481 2.695 0 40 IFAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(c2ncccn2)CC1 9876054 UNIQYZGCKZMDQI-UHFFFAOYSA-N 427.559 2.572 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 9886560 ASLLBELIYOPKRG-QGZVFWFLSA-N 435.977 2.972 0 40 IFAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(OC)c1 10272041 KGBKJFFVLVGZQU-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB O=C(CSc1nnnn1CCc1cccs1)Nc1cccc(C(=O)NC2CC2)c1 10859398 ZXOODMBTVQNTGT-UHFFFAOYSA-N 428.543 2.600 0 40 IFAB Cc1ccc(-c2nnc3n(Cc4cc(C)ccc4C)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10968883 RSRBACWZFMQKGT-UHFFFAOYSA-N 428.496 2.722 0 40 IFAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12808684 UUTPAKPWISDPIA-OAHLLOKOSA-N 438.908 2.563 0 40 IFAB COc1cccc(-c2nnc(SCC(=O)NC[C@H]3CCCO3)n2Cc2ccco2)c1 13120657 UMMWDTBKLBWEBD-QGZVFWFLSA-N 428.514 2.982 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1OC 13696665 IRLLEDPSLROUNG-IBGZPJMESA-N 432.498 2.573 0 40 IFAB C[C@@H]1C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(=O)N1c1ccc(Cl)cc1 14159496 ZWMJNOPMJLRWAJ-CYBMUJFWSA-N 428.876 2.838 0 40 IFAB Cc1nc(CSCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cs1 14245307 HJRNNVRBVNFXHM-GOSISDBHSA-N 439.006 2.709 0 40 IFAB COc1ccc(CN2CC3(Cc4c2ccc2ccccc42)C(=O)NC(=O)NC3=O)cc1OC 15024473 GCKKQGMFTNDOJB-UHFFFAOYSA-N 445.475 2.772 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 16024749 OGPXOPVGYZCTOV-YRKFHGTDSA-N 447.535 2.772 0 40 IFAB CC(C)Cn1c(SCC(=O)N[C@H]2CCOc3ccccc32)nnc1N1CCOCC1 19353604 SIMCGFTUCOEXEC-KRWDZBQOSA-N 431.562 2.503 0 40 IFAB O=C(NCCCn1cncn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372558 HDTXHQUZEMJPKX-FGZHOGPDSA-N 435.503 2.555 0 40 IFAB COCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC(C)C)C1 19449683 KQBMAELWWCEPHC-XMMPIXPASA-N 428.504 2.804 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(CC(=O)OCc4ccccc4)CC3)c(=O)c2c1C 19561486 QQCZGSSCRSWGBF-UHFFFAOYSA-N 441.553 2.645 0 40 IFAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCCC[C@H]2CN2CCCC2)c1 19751291 FQHIILOJSVAYQG-NRFANRHFSA-N 440.519 2.717 0 40 IFAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C(=O)COc3ccccc3)CC2)n1 19758555 CDQQEPAMDABCAL-UHFFFAOYSA-N 439.541 2.989 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(-c3ccccc3F)c1=O)NCC2 20332817 VWURNQPHZCRVAB-GOSISDBHSA-N 429.473 2.992 0 40 IFAB O=C(COc1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)NCc2ccccc2)s1 20486119 AWYAZEIPBWVIOV-UHFFFAOYSA-N 438.918 2.688 0 40 IFAB C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCCc2ccccc21 21833303 XLNXUZOFJJEFRM-INIZCTEOSA-N 428.510 2.751 0 40 IFAB CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 22285897 ZORPVNMLWUHTSF-SZNDQCEHSA-N 435.546 2.556 0 40 IFAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(C(=O)OC)cc3)C2=O)cc1 23817773 AWRFXYZYMYLURF-XMMPIXPASA-N 437.496 2.509 0 40 IFAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 24601398 WNIBGACWDIPSCY-UHFFFAOYSA-N 436.434 2.894 0 40 IFAB O=C(NCCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccco1 25920099 QERGQQVGKYTTKU-UHFFFAOYSA-N 426.469 2.682 0 40 IFAB Cc1nc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)sc1CC(N)=O 32871390 MXNMOUQAYSBDKV-UHFFFAOYSA-N 447.582 2.928 0 40 IFAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 32915294 DEMDCNLAPDWWQL-GOSISDBHSA-N 447.601 2.582 0 40 IFAB CCOC(=O)c1sc2ccsc2c1Cn1cc(S(=O)(=O)N(C)C)ccc1=O 32934993 YZZKGZNPLXMXFG-UHFFFAOYSA-N 426.541 2.600 0 40 IFAB C[C@@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 32940004 KRNGJMMSVZBNAO-XJKCOSOUSA-N 425.323 2.806 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCS(=O)(=O)c1ccccc1 32976447 UAECLYIJAFMBEI-UHFFFAOYSA-N 439.331 2.676 0 40 IFAB NC(=O)N[C@H](CC(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(Br)c1 32999649 KIHOWMSTWKZLEC-MRXNPFEDSA-N 448.317 2.679 0 40 IFAB CCOc1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)cc1 33077546 DITSMRIFNTWLPV-UHFFFAOYSA-N 430.574 2.813 0 40 IFAB O=c1c2nnn(Cc3ccc(Cl)cc3)c2ncn1Cc1nc(-c2cccs2)no1 38486751 RYBMWAFXSCNZAL-UHFFFAOYSA-N 425.861 2.850 0 40 IFAB C[C@H](C(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 48301314 DYLDDMOORDLZDR-MSOLQXFVSA-N 438.532 2.949 0 40 IFAB NC(=O)c1ccc(CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C2CC2)cc1 48310960 IRQZTTNATHJUDA-UHFFFAOYSA-N 434.540 2.627 0 40 IFAB CCN1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 58377676 IMMWMISTYZLZMZ-IBGZPJMESA-N 430.549 2.692 0 40 IFAB COc1ccc(CNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1OC 59336931 NTAUBXMKFMQBFF-UHFFFAOYSA-N 426.473 2.832 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc(Br)c1 61719901 WGEUIJIIUAJRKJ-AWEZNQCLSA-N 432.322 2.703 0 40 IFAB CNc1nc(C2CCN(C(=O)[C@@H](c3ccccc3)N3CCCC3)CC2)nc2c1CCNC2 72372411 AHYPVPZRPDKHHO-JOCHJYFZSA-N 434.588 2.707 0 40 IFAB Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)C2=O)c1 84083707 GNTGEOFEWKOEMP-MSOLQXFVSA-N 444.329 2.762 0 40 IFAB C[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 95455456 GKVKUHAUDZPPEK-ZIAGYGMSSA-N 434.480 2.742 0 40 IFAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(S(=O)(=O)c4ccccc4F)C3)C2)cc1 96225161 ILGAKXSECOGGGS-NRFANRHFSA-N 447.488 2.773 0 40 IFAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1C1CCCCC1)[C@H]1[C@H]2C(=O)N(C4CCCCC4)C(=O)[C@@H]2[C@H]31 100088222 KSOCXRSCFJVURG-UDWPLSEGSA-N 436.552 2.916 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)C1 100180239 WZKRWHFOROLCRA-QRRDKYOPSA-N 426.513 2.743 0 40 IFAB COc1ccc(-c2csc(C3=C(O)CN([C@@H]4CCS(=O)(=O)C4)C3=N)n2)cc1OC 102732416 HADVVCMRMJTYDT-GFCCVEGCSA-N 435.527 2.576 0 40 IFAB O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nnc(SCc2ccccc2)s1 103180535 DITNQGRWJUCZBS-XJNFMUPTSA-N 440.550 2.966 0 40 IFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 113965965 YIGAIWFPFIWSSF-UHFFFAOYSA-N 426.441 2.921 0 40 IFAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 135645119 YAVWLTGQSCTQLK-VWPQPMDRSA-N 448.567 2.647 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)s2)cc1 223050445 HPTSKKPCDXVKBP-UHFFFAOYSA-N 432.527 2.781 0 40 IFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1F 225013091 BNSWUTVSGYOENZ-UHFFFAOYSA-N 435.521 2.847 0 40 IFAB Cc1ccc(CN(CC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)S(C)(=O)=O)cc1 225822118 LJAJPCKDZIIEJB-UHFFFAOYSA-N 442.541 2.774 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@H](C)C(=O)NC3CCCC3)[C@H]4C2=O)c1 245227230 HDJFCOMZLLMTGQ-WERZEZIMSA-N 438.524 2.580 0 40 IFAB CCCN1CCN(C(=O)C2CCNCC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257204844 AWMSXXCMISCBQQ-QHCPKHFHSA-N 434.584 2.988 0 40 IFAB Cc1ccc(F)cc1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 257332186 XWECLSMCMVMOFO-UHFFFAOYSA-N 425.570 2.989 0 40 IFAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c1 408597949 WYENETWWAGYSQC-OAHLLOKOSA-N 433.530 2.985 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c(OC)c1 408656172 IOMWZIHSKMCKLO-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1 409060902 WYHRYQVQBRMRBZ-RPWUZVMVSA-O 443.527 2.777 0 40 IFAB CN(C)c1ccc(CC(=O)N2CCC3(CC2)CO[C@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)cc1 585103531 HEPWPPWSMNEPJC-HJOGWXRNSA-N 443.632 2.928 0 40 IFAB Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c(C)c1 585274205 UPCYHQTYSSHELV-QHCPKHFHSA-N 428.573 2.886 0 40 IFAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1cccnc1)CC2 643581520 KECZYOKXTAIFGH-UNMCSNQZSA-N 444.620 2.902 0 40 IFAB O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 644700322 JCYKYHHITYCNHT-SFHVURJKSA-N 434.945 2.852 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2COC2)C12CCN(Cc1ccncc1)CC2 1549166085 ABIUXPPDKBMVRW-QHCPKHFHSA-N 448.567 2.579 0 40 IFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 802571 TYCPVSDREMVEHV-NRFANRHFSA-N 439.468 2.904 0 40 IFAB CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(C(=O)OC)cc3)N2C1=O 2247692 GJVSZPHCDCMKTK-WBVHZDCISA-N 432.498 2.702 0 40 IFAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc(F)cc3)ccc12 2712352 BGAAFMPMYBBQHT-HNNXBMFYSA-N 426.444 2.787 0 40 IFAB CC(C)OC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2c1CCCC2 2803656 REZMHEVQRAPJJA-UHFFFAOYSA-N 428.576 2.802 0 40 IFAB O=C1C[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc2c(c1)OCO2 9037511 AFTQIPIAOJZZTQ-LBPRGKRZSA-N 442.415 2.766 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccccc3)s2)cc1OC 9405068 SJRFIUGRVQCLGB-UHFFFAOYSA-N 448.526 2.628 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 9460290 YTHKGKVPRYVBRQ-RHSMWYFYSA-N 449.960 2.717 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3cc(F)ccc3C)c2)CC1 9491009 QYBYUWVWDZRZCV-UHFFFAOYSA-N 449.504 2.849 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)sc(C)c1C 9634625 QFJNVQYOYGQBDX-UHFFFAOYSA-N 443.481 2.503 0 40 IFAB Cc1cc(C)n2nc(SCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)nc2n1 9963385 ZDPOZAGARFAVAU-UHFFFAOYSA-N 425.923 2.529 0 40 IFAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 9980707 KLIJNALXERTMOE-CYBMUJFWSA-N 438.527 2.670 0 40 IFAB CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 10601623 UPCLFANFRVMQSF-UHFFFAOYSA-N 447.538 2.889 0 40 IFAB COc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1 11696173 DDEGOQSBFXOGKT-MRXNPFEDSA-N 440.525 2.667 0 40 IFAB Cc1cc(-c2cncnc2C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)on1 12154474 VDKSSJGGGMUSRP-UHFFFAOYSA-N 442.497 2.780 0 40 IFAB CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)c(C)n1 12155637 GMFGBNZEVFSEHN-UHFFFAOYSA-N 441.435 2.732 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181133 FFQCBSBQOGULGE-ZNXRZULTSA-N 428.485 2.907 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n(N)c2=O)cc1 12348041 IYQOFYBZGMQZEV-UHFFFAOYSA-N 445.932 2.644 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1OCC 12520938 GEIYZRNCPROGBT-UHFFFAOYSA-N 440.543 2.726 0 40 IFAB COc1cc(COC(=O)c2ccc(CCNS(C)(=O)=O)cc2)ccc1OC(F)F 12904949 PZIVKFRKYHFTAL-UHFFFAOYSA-N 429.441 2.745 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)CC1 12997234 YIAAOHOPQJNUJI-UHFFFAOYSA-N 439.559 2.828 0 40 IFAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12998081 UEYFZXZFIYGLFD-DNBYOKIBSA-N 449.592 2.606 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3C)CC1 13565036 NISJUQDWOTUATR-UHFFFAOYSA-N 438.528 2.902 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 13679815 ZLHKLLYUEZEYRI-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB O=C(O)/C(=C\c1cnn(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCCC2)s1 14022685 JIVRWVVKCOFAPC-VBKFSLOCSA-N 430.511 2.739 0 40 IFAB O=C(CCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 14140472 FEDDBWDYWZPQLA-UHFFFAOYSA-N 433.530 2.901 0 40 IFAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 14231285 WTTRJKFXNXCTGU-IBGZPJMESA-N 438.908 2.706 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OC 15582967 RKBLVQWUMYJNJS-MRXNPFEDSA-N 436.505 2.560 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)nn1-c1ccccc1 16506361 XCEAFCNSWPLLNN-UHFFFAOYSA-N 430.508 2.710 0 40 IFAB CCc1nc2ccccc2n1CC(=O)OCc1nc(N)nc(Nc2ccccc2OC)n1 16668229 WUCYWQONJAEPEE-UHFFFAOYSA-N 433.472 2.862 0 40 IFAB Cc1cccc(CN2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 19236157 WGVJQMHFKQDVPD-QGZVFWFLSA-N 447.514 2.800 0 40 IFAB Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19237068 JEGCUPFLLUQKCM-HSZRJFAPSA-N 443.551 2.938 0 40 IFAB C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459051 FTQUUPWIGVPNNY-WIYYLYMNSA-N 443.551 2.843 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 19530605 ATPZCYDCIVHRFN-UHFFFAOYSA-N 430.530 2.561 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 19568194 UQSWWTXAFZOTHD-QFIPXVFZSA-N 448.502 2.740 0 40 IFAB CN1C[C@@H](C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccccc3F)CC2)CC1=O 19695314 JNSKCVHAZYGONP-INIZCTEOSA-N 425.508 2.533 0 40 IFAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCC[C@H](CN3CCCC3)C2)c1 19751349 PPWQFJBURIFVSD-GOSISDBHSA-N 440.519 2.574 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc12 19940887 SLBFFSWPQDGFDN-HSZRJFAPSA-N 443.555 2.517 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1-n1ccnc1 20106115 QCVMPCKQIGDZAQ-UHFFFAOYSA-N 440.525 2.595 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n([C@@H](C)c2ccccc2)c1=O 20757510 CXGJFWDEGVAWEI-YEJXKQKISA-N 432.480 2.577 0 40 IFAB biogenic COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1 25747493 FUOBHCITEUGUSQ-LBPRGKRZSA-N 435.860 2.568 0 40 IFAB CS(=O)(=O)N1CCC(NC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 29993241 MNBSVSIANDHSPA-UHFFFAOYSA-N 444.582 2.780 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)sc(C(=O)N(C)C)c1C 32674916 RWCFKPLXPBJICG-AWEZNQCLSA-N 430.482 2.655 0 40 IFAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 32902705 NFLIWUURYOXHOZ-LFYBBSHMSA-N 445.516 2.721 0 40 IFAB CC(=O)Nc1ccc2nc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)sc2c1 35312013 CECMNZLSXZJXFG-GFCCVEGCSA-N 432.527 2.869 0 40 IFAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CN(C)CCOc2ccc(F)cc2)C1=O 49581085 UWJWNPUFMRQCMV-HSZRJFAPSA-N 427.476 2.886 0 40 IFAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCCC(=O)N1CCCC1 58372153 BUFAEOXFFPMICG-UHFFFAOYSA-N 436.434 2.819 0 40 IFAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc2c(c1)OCO2 67261094 XHFJQOGERWRGSG-UHFFFAOYSA-N 434.427 2.737 0 40 IFAB Cc1nc(-c2ccccc2)n(CC(=O)NCc2ccc(F)c(Cl)c2)c(=O)c1CCO 67300354 TVRXMFQEVNPPKN-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)CCCn2cncn2)c2ccccc2)c(C)c1 72297594 CWKMOADSNOSSTL-FQEVSTJZSA-N 441.557 2.511 0 40 IFAB O=C(COc1ccc(Br)cc1F)N1CCN(c2cc(Cl)ncn2)CC1 78879542 LBZVCJVOVHIBPH-UHFFFAOYSA-N 429.677 2.759 0 40 IFAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccc(Br)cc21 79476981 GOKPNMDJSMQTMQ-UHFFFAOYSA-N 432.318 2.839 0 40 IFAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2)C1 95456111 ALBLZTDCLVJBTB-VGOFRKELSA-N 449.555 2.991 0 40 IFAB CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccc(Cl)cc1)CC2 96143574 XVNRQVIFNPTDMX-LEWJYISDSA-N 438.959 2.930 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccncc3)cn12 96156813 ICEBMFORFHMYJE-JOCHJYFZSA-N 447.587 2.574 0 40 IFAB CN(C)c1nc(N2CCOCC2)nc2c1CCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 96254917 OZUFMLPYYREEOG-UHFFFAOYSA-N 449.477 2.639 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1OC 100595243 UZOHNHKUCYISLW-ZIAGYGMSSA-N 427.482 2.717 0 40 IFAB COC(=O)Cn1/c(=N/C(=O)c2c[nH]c3ccccc23)sc2cc(S(C)(=O)=O)ccc21 100877934 PSHAIWPCQZLVSN-XDOYNYLZSA-N 443.506 2.502 0 40 IFAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 101068683 IHTKLVMKCOTJQU-OOJBBXMBSA-N 426.516 2.967 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Br)cc1 113870637 VHHKAWLMRIVBFQ-UHFFFAOYSA-N 427.276 2.687 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 253601583 CEFIGYGDDALBDP-FROCWPDGSA-N 430.520 2.940 0 40 IFAB COc1ccc(Cc2cc(C)nc([C@@H]3CN(C(=O)Cc4nnc(N)s4)CCO3)c2)cc1 257316485 VFVJFRLHYJNSDV-IBGZPJMESA-N 439.541 2.566 0 40 IFAB O=C(CCN1CCOCC1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257343568 ZTNBNQMPIBXYDY-JOCHJYFZSA-N 429.948 2.948 0 40 IFAB CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1)S(C)(=O)=O 260924442 HUGCOGYLRQRHCK-BEFAXECRSA-N 438.571 2.512 0 40 IFAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 390829920 HMDQPEOELYHMMP-UHFFFAOYSA-N 438.488 2.870 0 40 IFAB COc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)cc1 408564453 YIZDENNNQSDADY-UHFFFAOYSA-N 437.452 2.898 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652331 CGWNAIQXPWNGTG-HPSDOGTCSA-N 439.295 2.895 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c(OC)c1 408671766 UPZZEPKTUCHKQH-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CCOc1ccc(-c2noc(CS(=O)(=O)CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 514429566 NMUHUPIDHJCFNS-RIVXBTQJSA-N 447.557 2.991 0 40 IFAB O=C(Cc1ccccn1)NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12 585110219 YGHMNTKMCVAUNJ-GOTSBHOMSA-N 441.535 2.829 0 40 IFAB OC[C@H]1[C@H](O)C[C@@H](NC2Cc3ccccc3C2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382223 LMDXYFNSTULQAJ-WMMXXEOUSA-N 433.527 2.940 0 40 IFAB biogenic,in-vitro COCCS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 606342197 RDRGEIHOSVHZHP-UHFFFAOYSA-N 438.449 2.894 0 40 IFAB Cc1ccccc1O[C@H](C)CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1229012295 IQEDLDMNWWRXQX-MRXNPFEDSA-N 444.536 2.645 0 40 IFAB Cc1cccc(C)c1NC(=O)C1(N(CC(C)C)C(=O)Cn2nnnc2N)CCCCC1 974349 KGRCXUIMUXLRGO-UHFFFAOYSA-N 427.553 2.698 0 40 IFAB COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1OC 3627111 LOBAHERHRVIINR-SFHVURJKSA-N 441.337 2.588 0 40 IFAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)C[C@H]1Oc2ccccc2NC1=O 7735806 OHKWFVJTRYRQCJ-HXUWFJFHSA-N 425.485 2.507 0 40 IFAB CCn1c(SCC(=O)N(C)Cc2ccccc2C)nc2cc(S(N)(=O)=O)ccc21 8860728 RSGGPZWQHRLQLV-UHFFFAOYSA-N 432.571 2.763 0 40 IFAB Cc1ccc(C)c(NCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 9218315 JHBPFZIVSVCSFD-UHFFFAOYSA-N 449.555 2.885 0 40 IFAB CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1[C@@H](C)NC(=O)c1ccccc1 9263949 YHXQGNOLOONXQG-LLVKDONJSA-N 431.547 2.680 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc2c(c1)OCCO2 9416414 KKFJGMDDRRQPBE-UHFFFAOYSA-N 437.843 2.646 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 9709006 HVEXMBJSXSTQIT-NBVRZTHBSA-N 448.504 2.708 0 40 IFAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)[C@H]4CC=CCC4)CC3)cc21 9783293 AJPSHVVAQQGBKC-HNNXBMFYSA-N 427.476 2.864 0 40 IFAB Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 9806317 ASLLBPMGZCGWDM-FQEVSTJZSA-N 443.569 2.828 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 10095730 KDXZLNKKTULWJM-UHFFFAOYSA-N 447.435 2.727 0 40 IFAB COc1cc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc(OC)c1OC 10313213 WHHMTRZRKJAAFX-UHFFFAOYSA-N 438.484 2.981 0 40 IFAB CCn1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc2ccccc21 10652095 KBYYJNVRCNHUTE-HNNXBMFYSA-N 431.518 2.700 0 40 IFAB Cc1ccc(-c2nnc3n(Cc4ccc(Cl)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10969290 JEHHOMGGIJEWIM-UHFFFAOYSA-N 434.887 2.759 0 40 IFAB COc1ccc(-c2cc(NS(=O)(=O)c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 11795868 JKEOISLHQHEOQF-MRXNPFEDSA-N 447.538 2.719 0 40 IFAB CC(=O)N1CC2(CCN(C(=O)CCc3nc4ccccc4oc3=O)CC2)Nc2ccccc21 12086153 YSUBTZBCOUMCMG-UHFFFAOYSA-N 446.507 2.960 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)CCN4CCC(C)CC4)CC3)c(=O)c2c1C 12188661 SUYNTOWTBVBXFU-UHFFFAOYSA-N 446.617 2.550 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-n4cnnn4)ccc3Cl)sc2c1 12391242 UERYNHKUVIOKCJ-UHFFFAOYSA-N 434.890 2.581 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(-n4cccn4)nc3)C2)s1 12522345 HCASRHONUCPWCH-HNNXBMFYSA-N 431.543 2.677 0 40 IFAB O=C(CN1CCCCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12586574 OZNCVAWQAVYDLB-UHFFFAOYSA-N 429.970 2.566 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)cc1 12773382 BSSNTELQNHTXGE-UHFFFAOYSA-N 446.617 2.976 0 40 IFAB CCCn1nnnc1CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 13127813 WUHLLGRQXIAXCV-UHFFFAOYSA-N 449.562 2.600 0 40 IFAB CCSc1nnc([C@@H]2CCCN2CC(=O)N2CCN(c3ccccc3F)CC2)n1C 13565241 VVNBCUCTYLDZDN-SFHVURJKSA-N 432.569 2.552 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)c3ccc4c(c3)OCCO4)CC1)C2=O 14317064 PLHVXPZAKFBQMV-UHFFFAOYSA-N 441.528 2.811 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@@H](C)CS4(=O)=O)cc3)CC2)c1C 15842780 XUIDZWHKIZFFTF-KRWDZBQOSA-N 441.553 2.578 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCOCC3)cc2)c1C 15934937 IXOXGUUGZCYMIE-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB CC1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 15980098 IISKMPUVCCISBT-ROUUACIJSA-N 436.574 2.769 0 40 IFAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)n1 19693736 ZWJPSKQGZPDGKP-CQSZACIVSA-N 442.470 2.616 0 40 IFAB Nc1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)ccc1C(=O)N1CCOCC1 19765950 HIKLSGZEGRMHBF-UHFFFAOYSA-N 445.523 2.704 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 19935215 SSMQJOCBBOCRKN-UHFFFAOYSA-N 438.933 2.828 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 20245850 VALCLTLHICFHJI-UHFFFAOYSA-N 444.557 2.808 0 40 IFAB CSCC[C@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20519197 TYLRUVIEZBZHEU-YUWJWYLASA-N 433.961 2.756 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)c1 22229947 SBLSWZNAPIMJDX-KRWDZBQOSA-N 432.498 2.567 0 40 IFAB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)n(C)n3)nc2c1 22768202 SEOOMGQWLXKRLE-UHFFFAOYSA-N 429.546 2.716 0 40 IFAB COc1ccc(O[C@@H](C)C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 27295305 NXJXIXCAELTSQG-LPHOPBHVSA-N 437.496 2.907 0 40 IFAB COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)NCc2ccccc2)cc1 32103645 DRJSVUFPOPIXSD-UHFFFAOYSA-N 435.505 2.754 0 40 IFAB CCN(C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 32797215 JACBJQUJVSKVKD-WBVHZDCISA-N 435.615 2.900 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C)N1C(=O)c2ccccc2C1=O 34878959 CBIUMCNXKYONIF-ZTFGCOKTSA-N 432.542 2.642 0 40 IFAB Cc1cccc(C)c1NC(=O)Cn1nc2c(N3CCSCC3)nc3ccccc3n2c1=O 35425841 IMTVCWVIPAYODM-UHFFFAOYSA-N 448.552 2.853 0 40 IFAB O=S(=O)(NC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1)c1cccs1 40025171 RUSCDJLFKMFITG-UHFFFAOYSA-N 440.554 2.824 0 40 IFAB COc1ccc(OC)c2c1CN(CN1C(=O)[C@@H](C)N(c3ccc(C)cc3)C1=O)C[C@H]2O 40091160 ZZOBLQWYPSUENP-CRAIPNDOSA-N 425.485 2.676 0 40 IFAB O=C(NCc1ccccc1-n1ccnc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 44903377 YLJCXEZRCPVDSP-KRWDZBQOSA-N 430.555 2.651 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)CC1 48262712 QDBMTCJGDUIWFK-ZFGGDYGUSA-N 444.620 2.520 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cccc(C)c3)C3=C2COC3=O)c(OC)c1 49403052 FBWUYFJAROBJCW-NRFANRHFSA-N 437.452 2.528 0 40 IFAB Cc1nc(C)c(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)s1 49449863 VDHQNHQVKADXRS-LLVKDONJSA-N 439.544 2.663 0 40 IFAB COc1cc(C)c(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)cc1C 72334361 JAGBRLFANVIKDB-GJZUVCINSA-N 435.568 2.947 0 40 IFAB COc1ccc(CNC(=O)CN2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1 72394431 WEMSVXHFQJICQB-UHFFFAOYSA-N 437.540 2.587 0 40 IFAB C[C@](O)(CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 77184377 FXZMUBUBQZKXMO-VWLOTQADSA-N 432.476 2.722 0 40 IFAB CCS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C(F)F)cc1 79017743 QLCOJHDQSPZUKK-UHFFFAOYSA-N 443.497 2.746 0 40 IFAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCCCO)cc32)n1 96156530 OEULJJZFWQXTKH-FQEVSTJZSA-N 433.512 2.764 0 40 IFAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(Br)cc1 96520804 PDXMAWFQMHEZDQ-QMMMGPOBSA-N 436.947 2.971 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 103139549 MAKXRHGKYHEXQX-PNOQVMMESA-N 435.471 2.996 0 40 IFAB COc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1OC 207984170 LXOLFQXVBNPLTE-SFHVURJKSA-N 436.505 2.991 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222934655 YDCGELSLQIYROP-FQEVSTJZSA-N 445.585 2.623 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCCOC)ccc21 224912535 UTDDABYQIUAQRL-UHFFFAOYSA-N 445.541 2.553 0 40 IFAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)NCc3ccccc3)CC2)cs1 225466334 KQAWVKXBGFMFHP-LJQANCHMSA-N 444.601 2.947 0 40 IFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(Br)c3)CC2)cc1 225616969 KXRBPYYTJRIAAS-UHFFFAOYSA-N 437.359 2.833 0 40 IFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccc(OC)cc2O1 247956624 OPPOWRYJUILWOL-AQWIKTBWSA-N 429.561 2.798 0 40 IFAB O=C(C[C@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1Oc1ccc(F)cc1)N1CCCCC1 257203047 AOKYGNMLBSQNPC-RXVVDRJESA-N 428.508 2.721 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)C2CCN(C(C)C)CC2)(c2ccccc2)CC[C@@H]1O 257292280 QKTUBSWKCFGCHF-LSQMVHIFSA-N 429.605 2.601 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccccc1OCC 408739452 WJGJROPJCQJHGL-LUDQZLGDSA-N 449.532 2.592 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1 409075260 YDTDCRFTKLYRJO-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB C[C@@H](C(=O)NCCCNC(=O)[C@@H](C)N1CCc2ccccc2C1)N1CCc2ccccc2C1 553180865 LJESJNJRWPLXPH-OYRHEFFESA-N 448.611 2.503 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575414931 RFIVEQUNGZJGKT-QZTJIDSGSA-N 440.537 2.913 0 40 IFAB CN(C(=O)c1cncc(Br)c1)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523521 QTZUKARRDWCXME-UHFFFAOYSA-N 442.321 2.510 0 40 IFAB NC(=O)c1cc2cc(NC(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)ccc2[nH]1 1663946392 ZZMOYUWTQZFDMS-AWEZNQCLSA-N 436.390 2.847 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc(F)cc1 3437925 NSROJVMDXOOCAP-UHFFFAOYSA-N 448.516 2.864 0 40 IFAB COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1OC 4143513 MLIFRKPNGRYUGC-UHFFFAOYSA-N 425.470 2.810 0 40 IFAB COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC)[C@@H]1OC 4213849 FPGCYQVKNKEGRQ-SXLQGMKLSA-N 428.529 2.935 0 40 IFAB in-man CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 6410174 XNWQMFJQMMCXND-UHFFFAOYSA-N 442.537 2.921 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2Cc1cccc(Br)c1 8934187 FQUZQBJZMSMCNS-UHFFFAOYSA-N 432.322 2.615 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)cc1 9223098 UULFUWJQQSIIJX-GOSISDBHSA-N 441.553 2.659 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)CC2=O)cc1 9288730 STPAJHYGXDXKPK-OAHLLOKOSA-N 440.452 2.650 0 40 IFAB COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 9306270 AETJOYCYSYABOQ-RTBURBONSA-N 446.550 2.513 0 40 IFAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 9405078 JQSRTLWQJFOBOO-AWEZNQCLSA-N 432.527 2.765 0 40 IFAB CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 9791384 HBRDXVCHXGNFBI-XOBRGWDASA-N 433.530 2.863 0 40 IFAB CCCN(CC(=O)Nc1ccc2c(c1)CCN2C(C)=O)Cc1nc2ccsc2c(=O)[nH]1 10089444 ZNKPYWRMWPRIEO-UHFFFAOYSA-N 439.541 2.744 0 40 IFAB COc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)N4CCCC4)cc3C[C@H]2C)cc1 10119342 RRXFKUZFPPYKLL-OAHLLOKOSA-N 436.555 2.620 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 11665878 PRPYMAQWIRUQTK-UHFFFAOYSA-N 431.475 2.929 0 40 IFAB CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NC3CCCCCC3)cs2)CC1 12160612 BEDANRSKOQUMLG-UHFFFAOYSA-N 437.566 2.831 0 40 IFAB COc1ccc(CN2CCN(C(=O)C3=NN(c4ccccc4)C(=O)CC3)CC2)cc1OC 12795920 FKHLSTPLVBUNOE-UHFFFAOYSA-N 436.512 2.531 0 40 IFAB Cc1cccc(NC(=O)CSCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 12910469 MVOSOEGJCICIEH-UHFFFAOYSA-N 441.553 2.740 0 40 IFAB COc1cc(OC)c(N2C[C@@H](C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2=O)cc1Cl 12947355 VJVNPXBLBSXRGV-JTQLQIEISA-N 430.848 2.518 0 40 IFAB CCSc1ccccc1C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12980063 LRWZARTXWCQKCW-MRXNPFEDSA-N 425.572 2.914 0 40 IFAB CSc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12981108 GOQOUDPAXGQLFR-UHFFFAOYSA-N 445.610 2.842 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H]1C 13165113 QJWQBNBLMGDWSK-RBSFLKMASA-N 434.027 2.649 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)c1 16187555 CURSQFAGPGUWOQ-UHFFFAOYSA-N 446.569 2.806 0 40 IFAB O=S(=O)(CCCCCCS(=O)(=O)Nc1ccccc1O)Nc1ccccc1O 16450477 XSCLAZLVYQWUGT-UHFFFAOYSA-N 428.532 2.842 0 40 IFAB CCC(CC)C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O 16850555 NRXDPPQNVSTMFB-UHFFFAOYSA-N 429.492 2.575 0 40 IFAB O=C(c1ccccc1)N1CC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19700764 UIWDIRAQUGSKQH-JOCHJYFZSA-N 446.551 2.530 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738821 BWZIOHNPXNYMLD-GOSISDBHSA-N 430.512 2.628 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CCn2c(=O)cc(C)c3ccccc32)ncc1C(N)=O 19764680 QKTNOMIKTNDFQT-HXUWFJFHSA-N 433.512 2.651 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20047686 JLZAOELHFWMBHG-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB CCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1 20178443 JWTCHJNPUMGSGC-JXMROGBWSA-N 436.512 2.764 0 40 IFAB O=S(=O)(c1ccc(OCCSc2nccc(C(F)(F)F)n2)cc1)N1CCOCC1 26341545 ZJBLUXPQWYAVEJ-UHFFFAOYSA-N 449.476 2.687 0 40 IFAB COc1cc(F)c(S(=O)(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)cc1OC 28038917 DXZGUSJUMYPPAJ-UHFFFAOYSA-N 436.505 2.688 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)c(C)c1 34887472 YOJITNJGQJKTHU-FQEVSTJZSA-N 429.586 2.796 0 40 IFAB COc1ccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)c(OC)c1 57506444 IUDJXLPKEITMSL-UHFFFAOYSA-N 434.496 2.770 0 40 IFAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 58046644 OXDVVOLFOOVOMM-JKSUJKDBSA-N 447.557 2.553 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCO)Cc2ccccc2Br)C1=O 58159905 HVXBXLFHAXPDDD-HNNXBMFYSA-N 447.329 2.974 0 40 IFAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 65604504 CAKIERMAPFLPAJ-OAHLLOKOSA-N 426.542 2.942 0 40 IFAB CCOc1ccc2sc(NC(=O)Cn3c(N4CCCC4)nc(COC)cc3=O)nc2c1 67257050 MSENUCABULNZPL-UHFFFAOYSA-N 443.529 2.637 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 69485452 GUKISLRNJKVOOO-MRXNPFEDSA-N 445.497 2.629 0 40 IFAB CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc1 72307392 KQKUUZPEAQGKCC-CQSZACIVSA-N 431.498 2.755 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn(-c2ccc(Br)cc2)n1 77100505 FKMNACNRKOSQJH-UHFFFAOYSA-N 441.333 2.819 0 40 IFAB COc1ccc([C@@H](CNC(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 89919341 QIYOYRQKOMCVEB-YKSBVNFPSA-N 447.576 2.974 0 40 IFAB COCCN(CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C(=O)OC(C)(C)C 97212509 YJOFPODHZROXRE-UHFFFAOYSA-N 432.464 2.839 0 40 IFAB COC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccc(Cl)cc3)c(=O)n12 100936241 AJQGTQBEYHJKPB-FZRMFGLYSA-N 440.908 2.512 0 40 IFAB CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1C(=O)c2ccccc2C1=O 104674144 HPTBZTZXWZMVHL-FIKGOQFSSA-N 433.508 2.505 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)cc1 220491815 ZLGMTNBOZQGCNX-HNNXBMFYSA-N 446.504 2.997 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496004 DEVNTIBTQDBQKT-OAHLLOKOSA-N 439.921 2.631 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 222973804 ZKEIWQVMYKKDSQ-MRXNPFEDSA-N 439.487 2.755 0 40 IFAB CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225083729 WBBBDMBDXMCQTO-UHFFFAOYSA-N 429.498 2.669 0 40 IFAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225102316 PFCPNXKZLOQAJZ-UHFFFAOYSA-N 427.450 2.610 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225271869 RCGQGRSRRBWGLL-MRXNPFEDSA-N 442.541 2.660 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCO[C@@H](c3cc(-c4cncnc4)cc(C)n3)C2)c(C)n1 257245211 IONJDZDIKRNAIU-HXUWFJFHSA-N 442.545 2.524 0 40 IFAB CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCOC)cc2Cl)cc1 408636156 MBNXUPZIDHNSNN-UHFFFAOYSA-N 426.922 2.845 0 40 IFAB C[C@@]1(O)CCN(Cc2ccc(S(C)(=O)=O)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 514289640 AEACLOSWDATJJD-WPFOTENUSA-N 442.581 2.683 0 40 IFAB biogenic,in-vitro Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)n1 585293069 VZERFFJRCPRKQU-DKFQHHCZSA-N 432.532 2.855 0 40 IFAB C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1ncc(-c2ccccc2)o1 1629645277 VQQJZNRACJFURO-QSFXBCCZSA-N 437.471 2.862 0 40 IFAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1772595186 ASNFAVWRIJVPRS-LJQANCHMSA-N 431.968 2.532 0 40 IFAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccc(F)cc4)C3)C2)c1 2056225493 OPQFAJWKQSCBQR-JTHBVZDNSA-N 432.467 2.650 0 40 IFAB O=C(CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12)NC1CCCCC1 1325728 VJTSSQTWUIZSGT-UHFFFAOYSA-N 440.573 2.847 0 40 IFAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1361953 KYVHKLTZIAQEFC-UHFFFAOYSA-N 446.525 2.896 0 40 IFAB COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 3300422 RTWMWGQNZSBNIF-UHFFFAOYSA-N 445.781 2.674 0 40 IFAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(C(=S)NCc2ccco2)CC1 3504038 QDLUWJXFIYLHOT-UHFFFAOYSA-N 434.370 2.967 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2 3601495 BZXYOVZCBJERAB-JOCHJYFZSA-N 440.477 2.974 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 9255448 ZNYCNXHQWXWVDM-DEOSSOPVSA-N 435.480 2.742 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1ccc(C)cc1 9761757 MQKGVDOCMKCSQJ-UHFFFAOYSA-N 425.416 2.874 0 40 IFAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCC(=O)N1CCOCC1 9799666 RSKJLAZZLKVDSU-HSZRJFAPSA-N 437.496 2.662 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)c1 9807120 PWZXFSFVKNLJNL-GOSISDBHSA-N 449.960 2.865 0 40 IFAB CCc1ccccc1-n1c(SCc2nnnn2-c2ccccc2)nnc1N1CCOCC1 9836088 RCJYTZPGJQCHMU-UHFFFAOYSA-N 448.556 2.934 0 40 IFAB Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)c1 9860699 DHGASWJTXWJWCY-WOJBJXKFSA-N 443.594 2.956 0 40 IFAB Cc1nc2cc(C(=O)N3CCC4(CC3)C[C@]3(CO4)NC(=O)c4ccccc4N3)ccc2n1C 12085464 RMBRCFYYTRYXEC-RUZDIDTESA-N 445.523 2.829 0 40 IFAB COc1ncccc1[C@@H](Cc1ccsc1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 12228860 RIYSDVXLPSQZGI-QGZVFWFLSA-N 442.541 2.806 0 40 IFAB COc1ccccc1CNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233049 NBWWQDJXYLBENZ-KRWDZBQOSA-N 447.520 2.944 0 40 IFAB CCCn1c(=O)n(CC(=O)c2ccc(C)c(C)c2)c2c(C(N)=O)nc(-c3ccco3)nc21 12242254 RXOKACKVIXYJPV-UHFFFAOYSA-N 433.468 2.862 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)CCn1c(=O)oc2ccccc21 12870317 VAPYYKMOOVVDNA-UHFFFAOYSA-N 432.274 2.844 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(F)cc3)cc2)CC1 12998039 UMBPCADSSAZBMU-UHFFFAOYSA-N 449.548 2.950 0 40 IFAB CC(C)(C(=O)N1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1)c1ccccc1 13013150 NGTSQVFCGZDQBI-UHFFFAOYSA-N 448.567 2.639 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 15284863 VKZFDOWRNGSJIG-QGZVFWFLSA-N 429.498 2.851 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 15364087 NUXOHJIGWKPSQA-UHFFFAOYSA-N 436.580 2.905 0 40 IFAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCN(c2cccc(Cl)c2)CC1 17149974 QETPKDNRGSKLPY-INIZCTEOSA-N 430.961 2.771 0 40 IFAB O=C(COC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc2nsnc12 19108416 ZVODTAOPLLNTOI-UHFFFAOYSA-N 437.481 2.590 0 40 IFAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19293544 MXPATUUQZKXMNK-OAQYLSRUSA-N 433.487 2.840 0 40 IFAB COc1cc2cc(N)c(C3CCN(C(=O)CN4C[C@H](C)O[C@H](C)C4)CC3)nc2cc1OC 19497398 JDDFZLLWTILDIX-IYBDPMFKSA-N 442.560 2.649 0 40 IFAB CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527636 CBWQRFVGCQBNQR-YADHBBJMSA-N 433.552 2.681 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(c2nc(C)c3c(n2)N(C)CCC3)CC1 19705692 WBDCORSGGTUCEO-UHFFFAOYSA-N 434.537 2.883 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1Cl 20824033 REHFKDSRNVKTJM-KRWDZBQOSA-N 426.860 2.932 0 40 IFAB CC(=O)N1CCN(Cc2nc(O)c3cc(Br)cc(Br)c3n2)CC1 22405990 MJCFAAGGHJCBTQ-UHFFFAOYSA-N 444.127 2.525 0 40 IFAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(CC(=O)N2CCCCCC2)CC1 22933755 QBHQPZALZRVLJG-KRWDZBQOSA-N 438.519 2.635 0 40 IFAB O=C(Nc1cccc(-c2nnco2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 23075390 FYPMAJCBCYOIOT-HNNXBMFYSA-N 430.461 2.915 0 40 IFAB COc1cc(OC)cc([C@H](NC(=O)CSc2nc(C)cc(C)n2)c2nccn2C)c1 24021683 GYVKTVWQVVHLFH-IBGZPJMESA-N 427.530 2.842 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc(OC)c1 26113985 LWJGLVUJRWDHBZ-AATRIKPKSA-N 436.555 2.748 0 40 IFAB COc1cccc2c([C@@H](C(=O)O)N3CCN(c4ncc(Br)cn4)CC3)c[nH]c12 32103551 PSXPABOSNXRMHV-KRWDZBQOSA-N 446.305 2.677 0 40 IFAB C[C@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](C)O1 32895550 LMHRIBWDLVJGHZ-PHIMTYICSA-N 443.875 2.583 0 40 IFAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N[C@H]1CCCc2ccccc21 34854121 MNUBQOOLSPNZGB-HKRNCWMRSA-N 439.581 2.799 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)C(=O)Nc1c(F)cccc1F 36422091 YVDWXQRHZMPDLV-UONOGXRCSA-N 430.455 2.988 0 40 IFAB O=C(CN1CCS(=O)(=O)CC1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 40145133 KHTUIGZFLIWRHH-UHFFFAOYSA-N 434.370 2.710 0 40 IFAB COc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3[nH]ncc3c2=O)cc1Cl 51316642 FBQQOPVMTXSZRE-UHFFFAOYSA-N 445.888 2.772 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)CC1 57427455 YZHSKBDRXWGYMM-UHFFFAOYSA-N 432.524 2.885 0 40 IFAB COc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)CC1 71283226 LVDOGAMXYSGAJX-UHFFFAOYSA-N 438.915 2.921 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)c(F)c3)c2C)c(OC)c1 71327042 CKDOSMTZQNEPJZ-UHFFFAOYSA-N 431.399 2.773 0 40 IFAB CC(=O)NCc1cnc([C@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F 72356020 OJNFCAJCRZRWOJ-OAHLLOKOSA-N 427.452 2.969 0 40 IFAB CNC(=O)Cn1ccc2ccc(NC(=O)CCC(=O)Nc3nnc(C(C)C)s3)cc21 89893812 VHLLGNLTBAEZLF-UHFFFAOYSA-N 428.518 2.720 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H](c2ccccc2)n2cnnn2)sc1-c1ccc(F)cc1 96118531 JBPIEYIJBQGWCB-INIZCTEOSA-N 438.444 2.950 0 40 IFAB COC(=O)c1cnc2cc(I)n(S(=O)(=O)c3ccccc3)c2c1 96321338 LJPLQFLZDABHPE-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(Cl)cc1Cl 102127609 VVDUUCYWPGYQJE-HUUCEWRRSA-N 441.311 2.718 0 40 IFAB C[C@@H]1[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCC[C@H]1C 103966934 BTAPIGPJDGLGEM-GJYPPUQNSA-N 427.998 2.587 0 40 IFAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc(OC)c(OC)c1 218795041 HQPABVSTRCYRND-IERDGZPVSA-N 448.541 2.888 0 40 IFAB COc1cccc(N([C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220186646 XEXHUTOKOAANBO-OAHLLOKOSA-N 444.513 2.558 0 40 IFAB C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220449230 SVYDSWXHUTVRRN-CQSZACIVSA-N 441.475 2.607 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 222747501 MAWDEXQQSPHUDU-UHFFFAOYSA-N 448.541 2.840 0 40 IFAB CCOc1cccc(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 223218095 WCHFJQBDIJWLTA-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1Cl 223911841 YEZJPGHNSGHSER-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CC(C)(C)OC[C@H](O)CN1CCN(CCNC(=O)c2ccc(Cl)cc2Cl)CC1 252500169 SOFMGXJUXZLLPU-MRXNPFEDSA-N 432.392 2.517 0 40 IFAB Cc1cccc(CNc2cc(-c3c[nH]nc3[C@@H]3CCN(S(=O)(=O)N(C)C)C3)ccn2)c1 257228585 FUKRTZRTOMJCFT-LJQANCHMSA-N 440.573 2.988 0 40 IFAB CCOCC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 257267125 MGBFTQLDEUNRHH-JOCHJYFZSA-N 438.952 2.613 0 40 IFAB CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1)S(C)(=O)=O 260924444 HUGCOGYLRQRHCK-DNVCBOLYSA-N 438.571 2.512 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1 408661640 FXNXHAQMFRJTLM-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 408664435 QUDSZWTVHXZWAI-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccccc3OC)c2=O)=N1 409038983 QDYKPZMWVIFPED-PHJXOXRPSA-N 434.517 2.807 0 40 IFAB O=c1n(CCNS(=O)(=O)c2ccccc2Cl)nc(-c2ccc(F)cc2)n1C1CC1 585199070 MCORWCVQDJLYQX-UHFFFAOYSA-N 436.896 2.818 0 40 IFAB Cn1cc(CCC(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)cn1 643559785 AIXLMRNHZAGJHD-VWLOTQADSA-N 438.572 2.883 0 40 IFAB Cc1cccc(OC[C@H]2CCCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)n1 1775969338 LYVLLDXGICDQIE-KRWDZBQOSA-N 443.525 2.523 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 2021839 JSDRRTOADPPCHY-VOQZNFBZSA-N 438.524 2.567 0 40 IFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(C)cs3)CC2)c(C)c1 3288976 HCPMYQZGWWOKMQ-UHFFFAOYSA-N 425.601 2.694 0 40 IFAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)C3CCCCC3)cc2C1=O 3308687 NJFOKZBBZGNQDQ-UHFFFAOYSA-N 428.485 2.709 0 40 IFAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1cccc(N3C(=O)CCC3=O)c1)n2C 8642692 GDEOVZOGQUWNTL-DQRAZIAOSA-N 425.466 2.652 0 40 IFAB COc1cc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc(OC)c1 8662167 QTAXBYVLCHGYCZ-UHFFFAOYSA-N 437.481 2.857 0 40 IFAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)C1=O 8752085 KDSOKXDQDDTZKQ-GIGQVBGESA-N 449.558 2.767 0 40 IFAB O=C(CSc1ccc2ccccc2c1)OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8778242 ZAVVMTUFBRGVRN-GOSISDBHSA-N 433.551 2.653 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1OC 8883468 WGFFWNRRQUHOEU-HOYKHHGWSA-N 437.496 2.665 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1Cl 9001587 GWNWZXKYGQFCAW-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(OC)c2)cc1 9009767 YRUVRDUCVLYZKM-UHFFFAOYSA-N 445.479 2.750 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1N1CCCC1=O 9254448 LZGZTMJEQWVWRW-UHFFFAOYSA-N 438.513 2.919 0 40 IFAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)cc1C 9382962 DPVQMMNUKRTTTO-UHFFFAOYSA-N 442.523 2.548 0 40 IFAB COCCCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 9508784 HYAQSZZCMAXFQL-UHFFFAOYSA-N 435.329 2.930 0 40 IFAB Cc1ccc(CNC(=O)CSc2nc(N)c(NC(=O)c3ccc(C)cc3)c(=O)[nH]2)cc1 9518137 YOUUTVVBYXHLRH-UHFFFAOYSA-N 437.525 2.630 0 40 IFAB COCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2c(C)cc(C)cc2C)c1=O 9616734 OVYILZPBSAWRJL-UHFFFAOYSA-N 437.540 2.680 0 40 IFAB CNC(=O)c1ccc(NC(=O)CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 10173251 NDOOMUHJLROTES-UHFFFAOYSA-N 444.557 2.662 0 40 IFAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 12378039 CVQRHMLKWFJPEG-ZOPQSODPSA-N 448.544 2.982 0 40 IFAB O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1 12609805 PRDWZMUOAXQLEH-UHFFFAOYSA-N 430.921 2.883 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O 12679164 ZIQBVWPFPWFONG-UQBPGWFLSA-N 449.507 2.979 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)CC1 12817049 QHIFIXQOSWJKDF-FQEVSTJZSA-N 449.960 2.608 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC(N)=O)c3ccccc3)cc2)CC1 13008682 SCDIXFWTZQOQPM-UHFFFAOYSA-N 429.542 2.629 0 40 IFAB O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13109716 RDBIMMHRRADRAV-UHFFFAOYSA-N 448.566 2.545 0 40 IFAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCC(C)C)cc1OC 13362239 QIYXMKSDMXNPDJ-FQEVSTJZSA-N 446.569 2.982 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715520 QHLCVSCBACPQCZ-IBGZPJMESA-N 437.512 2.858 0 40 IFAB O=C(Cn1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCOCC1 14009935 DOKXIDKRDMUWKK-STZFKDTASA-N 444.491 2.593 0 40 IFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCOc1ccccc1 14095451 ZDPQDDUNHXTSOR-UHFFFAOYSA-N 429.476 2.677 0 40 IFAB CCn1c(SCC(=O)c2ccc(OC)c(Br)c2)nnc1N1CCOCC1 14141813 KQYQIPRZJFASPV-UHFFFAOYSA-N 441.351 2.881 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)(F)F)cc1 14237212 WAHYGXONLHVXCA-UHFFFAOYSA-N 444.431 2.536 0 40 IFAB Nc1nc(CSCC(=O)Nc2ccc3c(c2)OCCO3)nc(Nc2ccc(F)cc2)n1 15496025 KBJIDBUCEATQEH-UHFFFAOYSA-N 442.476 2.980 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337529 KAVKSDDAJXJMAH-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 19706961 GCHVJUPSLOTQIK-NRFANRHFSA-N 435.572 2.622 0 40 IFAB CNC(=O)c1cnc([C@H]2CCN(C(=O)c3cccc(OCc4c(C)noc4C)c3)C2)nc1C 19757528 VGEAKIHRJUOUFK-SFHVURJKSA-N 449.511 2.958 0 40 IFAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccccc4)CCO3)nc3ccccc23)CC1 19762004 UTXXIULCCYACHD-DEOSSOPVSA-N 444.535 2.836 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)ncc1C(=O)NCc1ccc(F)cc1 19765480 AFXRDTBVDXAIPL-SFHVURJKSA-N 448.502 2.851 0 40 IFAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc1N 19765971 NFIZAEFMJDSFKR-UHFFFAOYSA-N 434.500 2.678 0 40 IFAB COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCc2ccccc2C1 20082082 NJBTZQHILKULKR-QFIPXVFZSA-N 430.512 2.617 0 40 IFAB NC(=O)c1cc([C@H](O)CNC[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1 22589472 MUDKZNGUXRBVIH-PZJWPPBQSA-N 434.492 2.828 0 40 IFAB COc1cc(CN(C)C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)ccc1OC(F)F 23498358 HSQCXXVYKMBZCX-UHFFFAOYSA-N 439.459 2.900 0 40 IFAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc(Cl)cc2)CC1 23990174 KQZMJWFRRCNEPO-UHFFFAOYSA-N 432.952 2.629 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(COc3ccc(F)cc3)o2)NC(=O)N[C@@H]1C 24463054 QLPRXWYTXDKVKE-GFCCVEGCSA-N 432.404 2.673 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 24606950 QOKAKKJAXOERSL-KRWDZBQOSA-N 449.598 2.506 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)n(C)c1 26865261 UJNQPAWSQLGBOX-NRFANRHFSA-N 449.573 2.954 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 27977242 HKSUMNYVZQWTFI-UHFFFAOYSA-N 432.480 2.783 0 40 IFAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 32719777 OUWXFOTWDNVJJX-GOSISDBHSA-N 447.557 2.813 0 40 IFAB COC(=O)c1c(CC(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)[nH]c(C(C)=O)c1C 32776486 NPUHROPIDMXLLJ-DOMZBBRYSA-N 426.469 2.764 0 40 IFAB Cc1ccc(-c2cnc(CCC(=O)N3CCCN(CC(=O)NC(C)C)CC3)o2)cc1C 32831240 PREWZHHGARCAPE-UHFFFAOYSA-N 426.561 2.950 0 40 IFAB CCCn1c(=O)n(CCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c2ccccc21 32841783 WMHRGKHOVCSCFE-UHFFFAOYSA-N 435.528 2.979 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 32966844 TWMOTJIYINXRBM-QGZVFWFLSA-N 432.432 2.988 0 40 IFAB O=C(CN1CCN(C(=O)CN2CCC[C@@H]2c2cccs2)CC1)Nc1cccc(F)c1 35392794 CIXHQNPFPAFECA-LJQANCHMSA-N 430.549 2.807 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cccc(Cl)c1 38199958 SWZVFPHIRMLWSN-MRXNPFEDSA-N 441.875 2.932 0 40 IFAB COC(=O)c1cccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 40144493 ADOUHGZMOVOODA-UHFFFAOYSA-N 428.798 2.898 0 40 IFAB COC(=O)CN(C(=O)Cc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1ccccc1C 40150665 GEFXZDVSMNOARY-UHFFFAOYSA-N 435.406 2.817 0 40 IFAB COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OC 44849009 NSUYEKRURBHSBT-UHFFFAOYSA-N 426.922 2.748 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)c1 57426846 PYNPVBRTOIUWBD-UHFFFAOYSA-N 435.505 2.945 0 40 IFAB CC(=O)Nc1ccc2c(COC(=O)CCS(=O)(=O)c3ccc(F)cc3)cc(=O)oc2c1 57818637 OVWUWXNHWMRYEF-UHFFFAOYSA-N 447.440 2.798 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 58168899 JOTCXATUOPYTTO-UHFFFAOYSA-N 434.537 2.888 0 40 IFAB O=C(C[S@](=O)Cc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccco2)CC1 58215777 GFBVDCAMQIRFCB-LJAQVGFWSA-N 428.432 2.532 0 40 IFAB CS(=O)(=O)N1CCC[C@@H](NC(=O)COc2ccc3cc(Br)ccc3c2)C1 58418795 GLQBBEWGNKFQPO-MRXNPFEDSA-N 441.347 2.521 0 40 IFAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N(Cc3cccnc3)c3ccc(Cl)cc3)ccc2[nH]1 59829474 YPUWNNQKBAQSAM-UHFFFAOYSA-N 442.884 2.660 0 40 IFAB Cc1cccc(N2CCN(CCNC(=O)[C@@H]3CCCN3C(=O)C3CCCCC3)CC2)c1 69968953 CHMAPFUGIUZXOS-QHCPKHFHSA-N 426.605 2.805 0 40 IFAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101068677 IHTKLVMKCOTJQU-GCWMNCCDSA-N 426.516 2.967 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N3CCN(CCOc4ccc(Cl)cc4)CC3)C2=O)cc1 102701067 VHWQGKKLXYUOPJ-NRFANRHFSA-N 443.931 2.677 0 40 IFAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)nc1 223129934 UWBMUORHGXIMDY-GOTSBHOMSA-N 448.596 2.880 0 40 IFAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)s1 223381508 NEAASYCKUNUUGP-CYBMUJFWSA-N 430.577 2.842 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)s2)cc1 223661551 RMHNCFONPCZJHE-MRXNPFEDSA-N 430.511 2.679 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223661969 NXKKTQKCTWOOPU-UHFFFAOYSA-N 446.447 2.675 0 40 IFAB COc1ccc([C@H]2CN(CC(=O)Nc3ccc4c(c3)nc(C)n4C)CCN2C(C)=O)cc1 257221552 DPOFLYJZUJEFCT-HSZRJFAPSA-N 435.528 2.734 0 40 IFAB Cc1cnn(CC(=O)N(C)[C@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)c1 257278767 ODPKLKLVYGLGLW-JAOKQIQISA-N 441.572 2.647 0 40 IFAB Cn1c(=O)n(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)c2ccccc21 257333126 YAGPQMHNCDBSML-NTKDMRAZSA-N 439.487 2.708 0 40 IFAB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 408662645 XGBFTSKVCDDMFD-INIZCTEOSA-N 443.887 2.632 0 40 IFAB Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@@H](C)c4ccccc4)cc3C2=O)no1 408662848 NUWBZNPQJALBPV-AWEZNQCLSA-N 433.420 2.818 0 40 IFAB CN(Cc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)S(C)(=O)=O 408705890 PQUSFNHYFVFNJP-UHFFFAOYSA-N 445.310 2.997 0 40 IFAB FC(F)(F)c1cnc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(Cl)c1 1889125093 MPUSHCWETVKDRZ-UHFFFAOYSA-N 428.846 2.707 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 2441196 YMSGFSXUSVUAET-UHFFFAOYSA-N 431.481 2.554 0 40 IFAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ccc2c(c1)OCCO2 3352293 CHJXWZMJZVOANQ-GOSISDBHSA-N 426.494 2.932 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 4897633 JOCMYJHDTGJEBT-OAQYLSRUSA-N 426.492 2.686 0 40 IFAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nnnn4-c4ccccc4)C3=O)ccc2c1 9076929 AWZIZTZBPJFMEF-HSZRJFAPSA-N 428.452 2.791 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9124843 RHQBHDPBHBUSMU-PXNSSMCTSA-N 448.523 2.887 0 40 IFAB CC1=NN(Cc2ccccc2C)c2nc3c(c(=O)n(Cc4ccccc4C)c(=O)n3C)n2C1 9707506 GSRBRLFVWACOTA-UHFFFAOYSA-N 442.523 2.958 0 40 IFAB COCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 9720559 DGHZZINZTBVSGI-UHFFFAOYSA-N 431.341 2.947 0 40 IFAB COc1ccccc1CCC(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 9961314 IDDZEADARMXENE-MRXNPFEDSA-N 448.541 2.885 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1 10186305 FPOKBWMOTTWACV-UHFFFAOYSA-N 427.486 2.575 0 40 IFAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(OC)cc2OC)n2nnnc2N3)c1 10296938 SBKUGGXSVAFSTP-LJQANCHMSA-N 433.428 2.556 0 40 IFAB COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c(C)nc2c1 10443478 LEGUGCFTASMAPJ-UHFFFAOYSA-N 443.500 2.838 0 40 IFAB COc1ccc(Cn2c(SCc3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)cc1 10972925 OMWISEFOQQBDOK-UHFFFAOYSA-N 449.540 2.579 0 40 IFAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O 11711692 ODTNDJCWVJPAEC-HNNXBMFYSA-N 432.498 2.669 0 40 IFAB COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CS(=O)(=O)C3)cc1 12033011 ZIEICJQWAZQHJE-UHFFFAOYSA-N 441.509 2.944 0 40 IFAB CN1CC[C@@]2(CCC1=O)CN(CC(=O)N(C)C1CCCCC1)C(=O)c1ccccc1O2 12086691 XLZDLWCYPKFMNP-DEOSSOPVSA-N 427.545 2.693 0 40 IFAB CC(C)(CNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)N1CCOCC1 12557062 HBRBKBMQPRLYFI-SFQUDFHCSA-N 443.569 2.940 0 40 IFAB O=C(c1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 12752874 RAFMPICHJDIKSN-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncnc2sccc12 12769490 NOIPXZZEOABLBW-UHFFFAOYSA-N 438.556 2.681 0 40 IFAB CSc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12886059 BNLGVSYUTGJJQS-QGZVFWFLSA-N 433.599 2.883 0 40 IFAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 12939969 ZIUSGPLNJLUBAT-INIZCTEOSA-N 436.295 2.631 0 40 IFAB CCOc1ccc(CCNC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OCC 13100539 GGLKATDMKJMAFG-UHFFFAOYSA-N 429.546 2.990 0 40 IFAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1)C1CC1 13128697 IEAODKLEHFPMPA-QMMMGPOBSA-N 425.561 2.723 0 40 IFAB CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 13503990 CAROPIOOSXHHAI-HXUWFJFHSA-N 438.532 2.967 0 40 IFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(c2ccccc2F)CC1 15631355 DZINKWJFGPVUCM-UHFFFAOYSA-N 425.485 2.836 0 40 IFAB COc1cccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccccc2)c1 15945954 YGZQHGCMSFQIOD-UHFFFAOYSA-N 439.493 2.628 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19239453 LXRWXEYCQVRQBM-HXUWFJFHSA-N 435.528 2.526 0 40 IFAB O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343581 YDYQKKWIYDHVAE-IBGZPJMESA-N 436.541 2.547 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2cccnc2)CCO1 19529294 QHMFKZUYHIMNDW-RUZDIDTESA-N 430.508 2.734 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cc3nonc3C)C2)c1 19693913 DIUHXHZZFZKYPO-KRWDZBQOSA-N 436.516 2.858 0 40 IFAB Cc1nc(C2CCN(C(=O)CN(C)C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 19696209 MBBFYUCNVRBPBI-UHFFFAOYSA-N 427.593 2.912 0 40 IFAB O=C(NCc1ccccc1F)c1cncnc1CC1CCN(C(=O)[C@H]2CCCO2)CC1 19756735 IHKCAXMPLDZWSQ-OAQYLSRUSA-N 426.492 2.506 0 40 IFAB Cc1nc([C@H]2CCCCN2Cc2ccccc2OCCN2CCCC2=O)ncc1C(N)=O 19764500 ZFCVRONHEMBZTH-HXUWFJFHSA-N 437.544 2.612 0 40 IFAB Cc1nc(C2CCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)ncc1C(=O)N(C)C 19766465 OJXHRRSUPQTGGM-UHFFFAOYSA-N 437.588 2.804 0 40 IFAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CCOCC2)ccc1C 19943686 MDFYYEUGRXXVJD-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 20458951 QQFKUUWOHRISFQ-OKZBNKHCSA-N 427.636 2.633 0 40 IFAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnc(SCC(N)=O)s2)c(C)c1 22762119 ALQFBAQAYQHPDW-SNVBAGLBSA-N 425.561 2.561 0 40 IFAB COC[C@@H](C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 23560128 SKHXWONJACRJLE-OAHLLOKOSA-N 440.525 2.647 0 40 IFAB O=C(NCc1nc2ccccc2s1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 24925199 DDUCEXXNEKDAEI-HNNXBMFYSA-N 431.539 2.684 0 40 IFAB CN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CCN2CCN(c3ccccc3)CC2)CC[C@@H]1O 30878631 CPUAEVNUBTZPJL-SDHOMARFSA-N 437.584 2.766 0 40 IFAB biogenic,in-vitro O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nccs1)[C@@H]1CC(=O)N(c2ccccc2)C1 32101354 IRXJZLUOMANHDG-IEBWSBKVSA-N 434.521 2.862 0 40 IFAB COc1cc(OC)nc(NC(=O)COc2ccc(-c3csc(C)n3)cc2NC(C)=O)n1 32810130 IBVSSJIBCQGABC-UHFFFAOYSA-N 443.485 2.902 0 40 IFAB Cc1ccc(NC(=O)CSc2nc(N)c3ccsc3n2)cc1S(=O)(=O)N(C)C 32841117 PKVHADSCKCOCTR-UHFFFAOYSA-N 437.572 2.563 0 40 IFAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1=O 40069468 VFBDIRKKCWYUQU-HSZRJFAPSA-N 436.556 2.949 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157309 XEQGSKCIDKSXGV-PMACEKPBSA-N 428.554 2.747 0 40 IFAB Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2C)CC1 43958211 DDBQQLREWQTCSH-UHFFFAOYSA-N 428.967 2.639 0 40 IFAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O 44840506 QMCTYWSPBUUJJW-QGZVFWFLSA-N 438.503 2.622 0 40 IFAB O=C(Nc1cccnc1N1CCCC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 48324765 RJQZFEMCUGWUKC-UHFFFAOYSA-N 447.536 2.796 0 40 IFAB Cc1ccc(N2C[C@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1C 56925355 CNXNFFOVJRBNKE-OAQYLSRUSA-N 435.572 2.530 0 40 IFAB COc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1F 57507135 ZUOUDCYVPCVXRV-UHFFFAOYSA-N 435.506 2.801 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 58158797 HZZLSTZLJHEACJ-SFHVURJKSA-N 443.569 2.840 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 67287318 QZPYZONNJPGQKS-LJQANCHMSA-N 449.935 2.786 0 40 IFAB CCn1cc(CN2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)c(C)n1 72335869 DLNVEOPDCMSIKS-UHFFFAOYSA-N 440.573 2.847 0 40 IFAB COCCNC(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 72336026 NAHHMQCKFMUVCN-UHFFFAOYSA-N 429.565 2.769 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N2[C@H](C)CCC[C@H]2C)C(=O)N2CCN=C32)cc1 72347802 BLOYRZNVUWQQES-HZPDHXFCSA-N 436.516 2.673 0 40 IFAB Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 89669144 HYLUSFAUFBQDJC-PXDATVDWSA-N 435.524 2.778 0 40 IFAB Cc1nc(Nc2ccc(NC(=O)COc3ccc(-n4cccn4)nn3)cc2)cc(N(C)C)n1 90607722 VTZQFBWEIUUDEL-UHFFFAOYSA-N 445.487 2.588 0 40 IFAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC1(O)CCS(=O)(=O)CC1)CC2 95427128 HHCRFNOZYLBUHQ-HXUWFJFHSA-N 437.583 2.653 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2ncccc2Br)CC1 96096979 RTLYDMFFOCCOJP-UHFFFAOYSA-N 432.274 2.822 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NC[C@@H](O)c3csc4ccccc34)cc3c2N1CC3 225696841 LHLXLUMZGSFYKR-GOSISDBHSA-N 428.535 2.749 0 40 IFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccccc1)S(C)(=O)=O 260848750 PMWAFANHKNZBJZ-CQSZACIVSA-N 426.922 2.698 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 408660254 NGBGZHRDOOSSKL-UHFFFAOYSA-N 438.436 2.702 0 40 IFAB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2Br)CC1 585322398 KKBXLBYZZDRVIF-UHFFFAOYSA-N 440.363 2.580 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCCc3cnc(N4CCOCC4)nc32)c1 670163001 IECBCRDUKDDPNR-UHFFFAOYSA-N 433.306 2.677 0 40 IFAB C[C@](NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1)(C(=O)O)[C@H]1C[C@H]2CC[C@H]1C2 1616030751 FFMAPHSLYOTGJR-MUKFZQMOSA-N 435.420 2.961 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC[C@H]3CCCO3)cc2c1 879482 XNYADNKXRDBRHS-WOJBJXKFSA-N 445.585 2.961 0 40 IFAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1c(Br)cnn1C)CC[C@@H](C)C3 2778157 ORBUVXJZICKCOY-MRVPVSSYSA-N 436.335 2.771 0 40 IFAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2cccn2C)cc1 3339799 KVGCEXURIYAJST-UHFFFAOYSA-N 435.480 2.802 0 40 IFAB COc1ccc(CNC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)cc1 9129820 MSGZXCDFPPLBPA-UHFFFAOYSA-N 438.484 2.921 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1C 9525895 UNRVLANRBZQVFT-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB CSCC[C@@H](C(=O)OCC(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O 9540254 BAQBUTXJECVVOZ-KRWDZBQOSA-N 430.457 2.725 0 40 IFAB COc1ccc(CN2C(=O)[C@](NC(=O)CCc3ccccc3)(C(F)(F)F)N=C2O)cc1 9575882 PHLSDNWNSVMFRO-HXUWFJFHSA-N 435.402 2.959 0 40 IFAB CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 9789379 DUKUAZVBJSQJNS-DJJJIMSYSA-N 429.498 2.550 0 40 IFAB Cc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 9960702 VMQUMPURPFYUOG-UHFFFAOYSA-N 429.542 2.555 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)Nc1nc2c(s1)CCCC2 12085603 XGNWJKSHUSTBLS-JOCHJYFZSA-N 439.541 2.525 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1C 12443472 XJUMHHWXNVLQJJ-UHFFFAOYSA-N 439.541 2.675 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(Br)c1 12854299 KNLLFTYQXSUYON-KRWDZBQOSA-N 439.375 2.937 0 40 IFAB CC1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)oc2=S)CC1 13072665 YTKCQJVUTKLKBE-UHFFFAOYSA-N 438.575 2.583 0 40 IFAB CS(=O)(=O)Nc1nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2s1 13692908 XFKVNCIMTBMPHW-UHFFFAOYSA-N 434.518 2.769 0 40 IFAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CCS(=O)(=O)C2 14709398 RWKYRCCJCCOFBU-UHFFFAOYSA-N 427.475 2.552 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccco3)N(C)C)CC2)cc1C 15988851 MKFQWMZYPLWVNI-FQEVSTJZSA-N 433.574 2.716 0 40 IFAB CC(C)CCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 17113096 PRNVHFWWMJDXMZ-QGZVFWFLSA-N 426.535 2.681 0 40 IFAB O=S(=O)(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)OCCO2 17332385 KPDDXCHPCDLASZ-UHFFFAOYSA-N 437.827 2.915 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 18204364 CGLAGLDRVNBMGP-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB CNC(=O)c1[nH]c([C@H]2CCCN(C(=O)Cc3ccccn3)C2)nc1-c1ccc(OC)cc1 19698983 IQQNBWWPYJFRJD-KRWDZBQOSA-N 433.512 2.789 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)COC(C)C)n1 19700963 YHCPWCPRXKPNPC-OAHLLOKOSA-N 429.496 2.561 0 40 IFAB O=C(Cn1cc(C(=O)NCc2ccccc2N2CCCC2)ccc1=O)NC1CCCCC1 19751098 AQVUNFSRAFTGBR-UHFFFAOYSA-N 436.556 2.827 0 40 IFAB C[C@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O 20108472 QFKVHULMWONRBS-OAHLLOKOSA-N 432.933 2.997 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@H]3c1ccc(F)cc1 20308472 UTTGJNPAUKBYJK-NRFANRHFSA-N 438.455 2.818 0 40 IFAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@@H](C)CC(C)C[C@H]3C)=C2)cc1OC 20569403 NQGKQBKWXLNWJL-GOOCMWNKSA-N 435.546 2.603 0 40 IFAB CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c1 23056181 ALDQXZOQACUZJR-MRXNPFEDSA-N 433.530 2.849 0 40 IFAB O=C(NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccc2c(c1)OCO2 23873191 DYVHGVUDQDWYNH-UHFFFAOYSA-N 431.492 2.643 0 40 IFAB CCOc1ccccc1N1CCN(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1 25266557 ROUNFTYEWDSRNN-RUZDIDTESA-N 434.540 2.948 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 26110242 ANESUXBQFQQVPU-MRXNPFEDSA-N 448.416 2.699 0 40 IFAB CCOc1cc2c(cc1CNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)O[C@@H](C)C2 26357253 KVGYLLZCZPUYPL-ZDUSSCGKSA-N 434.514 2.854 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 30496512 XKUXNUVBNHSBCF-UHFFFAOYSA-N 433.961 2.973 0 40 IFAB COc1ccc(OC)c(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640630 TZNGTVVTXIPPPM-HKUYNNGSSA-N 448.566 2.858 0 40 IFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 32722562 CXXYBTLTYRDFSY-HXUWFJFHSA-N 425.916 2.631 0 40 IFAB CCOC(=O)CNCc1c(C(=O)OCC)c2cc(OC)c(Br)cc2n1C 36015014 ZJCZTNAOMNREAD-UHFFFAOYSA-N 427.295 2.779 0 40 IFAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N=C3N=C(NC(=O)CCCC(=O)O)NN32)cc1 38198253 YIXCZMTVSHQVTK-OALUTQOASA-N 435.484 2.785 0 40 IFAB COc1cc(OC)c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)[nH]c2c1OC 40091016 JYWWPAILTJZGKF-KRWDZBQOSA-N 443.500 2.898 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 57606978 NCORSGGMHJJTFL-HXUWFJFHSA-N 434.500 2.797 0 40 IFAB Cc1cccc(N2CCN(Cc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)c1C 57679918 LHQRRHRNYVGFDI-UHFFFAOYSA-N 429.586 2.647 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@@H](c3c(F)cccc3Cl)N(C)C)ccc21 58170334 BTPLMGXJZZYTJY-KRWDZBQOSA-N 432.883 2.535 0 40 IFAB O=C(CSc1ccc(F)cc1)Nc1ccc(-n2nnc(C(=O)N3CCCC3)n2)cc1 71001832 RMJXDNIBKHJZAU-UHFFFAOYSA-N 426.477 2.768 0 40 IFAB CCOC(=O)CCN(CC(=O)Nc1sccc1C(=O)OCC)C[C@H]1CCCN1CC 72308753 JRYNNMNUFPUTRL-MRXNPFEDSA-N 439.578 2.603 0 40 IFAB COc1ccc(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)nc1I 95444726 JQAWFGOOTOGFCJ-FRRDWIJNSA-N 431.318 2.791 0 40 IFAB Cn1c(CCCCCNC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96221992 MOTUZWGZPKTDRV-LJQANCHMSA-N 433.512 2.543 0 40 IFAB biogenic COc1ccc(N2C(=O)C[C@H](N3CCN(CCOc4ccccc4)CC3)C2=O)cc1Cl 102701079 FIWHIVUWVBNVPS-FQEVSTJZSA-N 443.931 2.677 0 40 IFAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(OC)n(C)nc2c1 206799305 UWIJVAFDRWHBEB-KSSFIOAISA-N 427.432 2.556 0 40 IFAB COc1ccc(CNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(OC)c1OC 219166364 VFRCRUINDLYOGX-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3OC)CC2)cc1 222621933 SFJCBCCPQUTMNY-UHFFFAOYSA-N 436.505 2.907 0 40 IFAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 222705486 YOZCMGAUYLFXDX-KRWDZBQOSA-N 444.553 2.877 0 40 IFAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224329855 SMOAZPGXIOQLQA-UHFFFAOYSA-N 443.551 2.794 0 40 IFAB CCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1 225466353 HVABBRASKBNAPN-UHFFFAOYSA-N 442.588 2.622 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 225473922 IPLPZBMOMBOLHF-UHFFFAOYSA-N 432.498 2.521 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1 225669524 VUUIOGOOXWDQDF-UHFFFAOYSA-N 427.507 2.942 0 40 IFAB CC(C)Cc1cc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)n(C)n1 257310927 UHFOIZUMPWVJOV-HSZRJFAPSA-N 430.524 2.935 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408667539 UHVNRRBRWQMAKE-INIZCTEOSA-N 426.469 2.801 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c(OC)c1 408669739 ODFACUAHNCZXFR-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(Cc3ccccc3)CC2)C1 585290216 OTDBVSPNRWIPSC-NOZRDPDXSA-N 442.987 2.771 0 40 IFAB O=C(c1ccc(N2CCOCC2)cc1)N1C[C@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888904047 BWLWTXUNIAIOMD-WZONZLPQSA-N 426.492 2.774 0 40 IFAB Cc1nn2c(C(=O)NCc3ccccc3)c(C(=O)Nc3ccc(F)cc3)sc2nc1=O 957742 QIEROKOEBSDALR-UHFFFAOYSA-N 437.456 2.781 0 40 IFAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 4522147 QNFJSZLAVLYOII-UGSOOPFHSA-N 434.518 2.518 0 40 IFAB COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H]3COC(=O)[C@@H]32)cc2c1OCO2 5767112 TZBRMJJJXYXKGJ-XVSDVWIESA-N 428.437 2.927 0 40 IFAB COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(CCc4ccccc4)C[C@]34C=C[C@H]2O4)cc1OC 9410395 WOVSHUFYFUOIMY-PTGPVQHPSA-N 434.492 2.667 0 40 IFAB COc1cc(NC(=O)c2nnn(CC(=O)Nc3c(C)cc(C)cc3C)c2N)cc(OC)c1 9677996 QUCAUVPFDQRALI-UHFFFAOYSA-N 438.488 2.694 0 40 IFAB O=C(OCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11244291 MFHVNZLOVKVASR-UHFFFAOYSA-N 425.453 2.988 0 40 IFAB O=C(CSc1nc(Cc2cccs2)n[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F 11601798 XSKAKXFVMMYYKL-UHFFFAOYSA-N 441.460 2.721 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCc1ccccc1Cl 11904725 WJRDEBDNZDKHSV-UHFFFAOYSA-N 442.946 2.502 0 40 IFAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130146 ZWKNXPUYKVVKMZ-JKSUJKDBSA-N 446.360 2.737 0 40 IFAB C[C@H](C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)N1C(=O)CSC1=O 12219773 DQPZBSOVHXTOIN-MLGOLLRUSA-N 425.514 2.752 0 40 IFAB Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1Cl 12536958 KDFFFCXJQGUGSI-FQEVSTJZSA-N 429.904 2.713 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cn2)nc1 12644709 DYWWTVYUVKSNKZ-UHFFFAOYSA-N 434.905 2.888 0 40 IFAB COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1OC 12756665 XXADTLHCIMBYPP-UHFFFAOYSA-N 430.526 2.949 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(-n4cncn4)cc3)C2)s1 12924031 RYVNEKZBYFJFOK-HNNXBMFYSA-N 431.543 2.677 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 12982537 FXXVKUORUQRHRF-BUHFOSPRSA-N 438.553 2.868 0 40 IFAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(C)=O)N2c4ccc(C)cc4C=C[C@H]32)cc1 13551483 QFOXYBRIWZFRPC-ACESQOTJSA-N 430.460 2.899 0 40 IFAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN(c2ccccn2)CC1 14063197 PXMUCCVVWKZKBK-UHFFFAOYSA-N 440.500 2.984 0 40 IFAB Nc1nc(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)nc(Nc2ccccc2)n1 16678019 RENDVQJSLGICHW-UHFFFAOYSA-N 435.412 2.551 0 40 IFAB CCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)C(c1ccccc1)c1ccccc1)CC2 16986985 CVKKONUEPLBZNP-UHFFFAOYSA-N 445.519 2.651 0 40 IFAB COC(=O)[C@H](C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(Cl)cc2nc1O 17210972 NWTHLIWIZUXDIM-INIZCTEOSA-N 441.827 2.656 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3ccccc3n2)cc1 17815780 LJIZXFRSVRCKTO-UHFFFAOYSA-N 425.510 2.628 0 40 IFAB CCN(CC)c1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)N(C)C)cc1 17835133 XEHREIKFOWXSQX-UHFFFAOYSA-N 427.501 2.795 0 40 IFAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccc(OC)cc1 18706305 PAIRXUCRYHLNCX-FQEVSTJZSA-N 448.541 2.606 0 40 IFAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)N3CCN(c4ccccn4)CC3)CC1)O2 19218309 YRWFGFBWDHYULG-UHFFFAOYSA-N 434.540 2.539 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19696011 QPLBKBLWFDOKLE-FQEVSTJZSA-N 435.572 2.575 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(c2cc(C)nc(C)n2)CCO1 19702728 LSIQBMPCAFQCFM-INIZCTEOSA-N 427.530 2.657 0 40 IFAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCCOc3ccc(F)cc3)c2C1 19711295 MIRYUCQJDMEWRS-KRWDZBQOSA-N 427.524 2.820 0 40 IFAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 20104960 VRCYPCXTCIIASB-INIZCTEOSA-N 448.541 2.685 0 40 IFAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 20104962 VRCYPCXTCIIASB-MRXNPFEDSA-N 448.541 2.685 0 40 IFAB COCCOC(=O)c1c(NC(=O)CN2c3ccccc3CC[C@@H]2C)sc(C(N)=O)c1C 21472861 WTOKFCRPUPZXEW-ZDUSSCGKSA-N 445.541 2.738 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1C(F)(F)F 22227367 XCEQXGMZJQRLTQ-UHFFFAOYSA-N 442.459 2.699 0 40 IFAB Cc1cccc2c(=O)n(CCCC(=O)N3CCC(NC(=O)c4ccccc4)CC3)cnc12 23054842 UHJSFRXVNWONFR-UHFFFAOYSA-N 432.524 2.906 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)n2)c(OC)c1 23077710 NWUCLQIIMRISJA-UHFFFAOYSA-N 430.486 2.630 0 40 IFAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 23706451 LXMKFXZBNHTEDG-SFHVURJKSA-N 444.963 2.737 0 40 IFAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCN(c2cnccn2)C1 30110465 CCETZCBOMVQSJE-GFCCVEGCSA-N 428.846 2.989 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157927 FOMOXFIJVFWWSG-LEWJYISDSA-N 426.513 2.740 0 40 IFAB NC(=O)c1cnc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(Cl)c1 48302709 BDMHRGYCZMVZDG-UHFFFAOYSA-N 449.747 2.652 0 40 IFAB Cc1ccc(CNC(=O)Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)cc1 57503849 OGOAYJXFGPRYNJ-UHFFFAOYSA-N 440.463 2.838 0 40 IFAB CC[C@@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O 57505795 TUBCAVBEVAQRAA-HXUWFJFHSA-N 434.544 2.553 0 40 IFAB Nc1c(Br)cccc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1 61453447 FQYBLWNNEIOQOT-UHFFFAOYSA-N 434.290 2.663 0 40 IFAB COc1cc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc(OC)c1 67226209 AVIHTIMKUYKEEJ-ZDUSSCGKSA-N 443.529 2.745 0 40 IFAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC2 72345830 NFOTYCSTDVXJGP-QFIPXVFZSA-N 444.601 2.852 0 40 IFAB Cc1ccnc(Nc2cc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)nc(C)n2)c1 72355956 DXAZOLULKMURCX-INIZCTEOSA-N 427.534 2.534 0 40 IFAB CN1C(=O)C[C@H](C(=O)N2CCC(C)(CN3CCOCC3)CC2)[C@H]1c1cccc(Cl)c1 95441795 LQQQNNHDHNHXBN-PZJWPPBQSA-N 433.980 2.820 0 40 IFAB COCCNc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)cc2OC)cc1[N+](=O)[O-] 95464077 ZHKQJDWCDLCBHZ-KRWDZBQOSA-N 447.444 2.616 0 40 IFAB COc1cc(OC)c([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc1OC 95474292 GGVFJOIPBZWNQC-SFHVURJKSA-N 435.502 2.978 0 40 IFAB COC(=O)c1cc2c(cn1)cc(I)n2S(=O)(=O)c1ccccc1 96321342 BMXQOWCQQUZJJP-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 97027876 KAXIEQMMTKQSLA-UHFFFAOYSA-N 439.331 2.822 0 40 IFAB Cc1cc2nc(C[C@@H](NC(=O)c3c(C)cc(C)n(C)c3=O)c3ccccc3)cc(O)n2n1 100220760 YIQNDFIFWXRABQ-LJQANCHMSA-N 431.496 2.773 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@H]3[C@@H]4CO[C@H](O4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1OC 100249549 IPPSBXJDMFQYLG-QALPMFHESA-N 433.460 2.853 0 40 IFAB biogenic,in-vitro CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC56CCC6)CC4)nn3c(O)c2C1 100729266 LDAGYWPZJUBWGR-KRWDZBQOSA-N 437.544 2.626 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 102863333 CUJINNPSNCDXIT-KDURUIRLSA-N 431.492 2.549 0 40 IFAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 108167484 GVHGHAIJOBDIHS-FRKPEAEDSA-N 447.419 2.504 0 40 IFAB COc1ccccc1CNC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113941014 YXYOGBASPKWTRE-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220751147 ZFCSCSOLUJGTSX-MRXNPFEDSA-N 439.921 2.631 0 40 IFAB COC(=O)c1ccc(NCCCN2CCOCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223413587 MVKAFZVDJCHDTK-UHFFFAOYSA-N 447.557 2.717 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 224150652 NTBNOSNNWUFHBV-NRFANRHFSA-N 445.585 2.705 0 40 IFAB CN(c1ccc(Cl)c(C(=O)NCCN2CCCC2=O)c1)S(=O)(=O)c1ccccc1 224337690 NVENWYSVGDYYHY-UHFFFAOYSA-N 435.933 2.517 0 40 IFAB C[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225060853 VOEAVUFVWBCBBQ-JTQLQIEISA-N 441.481 2.671 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)on1 257210445 BUQMQSGSYIILBE-BZSNNMDCSA-N 446.573 2.963 0 40 IFAB COc1ccccc1[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@]12CCCCC(=O)N2 257230119 GAXHGSLPNBCSCF-NBGIEHNGSA-N 445.523 2.945 0 40 IFAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)c2ccccc2Cl)C1 257271213 MXIQQSRSOFYIRK-ZPFZUWPUSA-N 444.959 2.760 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)cc3)C2)cc1 408561813 VMZJRZMJLQDFKT-SFHVURJKSA-N 432.542 2.811 0 40 IFAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(N)=O)c(OC)c2)S1 408800352 OIHMOIUYGOCTSL-UHFFFAOYSA-N 448.908 2.984 0 40 IFAB O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1ccc(=O)n(-c2ccccc2)n1 501682905 NAYMEJFPTWAJDY-INIZCTEOSA-N 430.233 2.998 0 40 IFAB CCOc1ccc(CC(=O)N2CCO[C@](COc3ccc(Cl)cc3)(CC(N)=O)C2)cc1 585283385 DZUSJBCGCVQJQJ-HSZRJFAPSA-N 446.931 2.833 0 40 IFAB Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)c1 585287875 UGSKBENCGRUGSK-RUZDIDTESA-N 444.547 2.608 0 40 IFAB CCC(=O)N1CCCN(C)CCCN(C(=O)c2ccnnc2)Cc2cc(F)c(F)cc21 643581149 AGDABGKNWPTGCL-UHFFFAOYSA-N 431.487 2.866 0 40 IFAB Cc1c(S(N)(=O)=O)sc(C(=O)NCc2cccc(C3(C)OCCO3)c2)c1Cl 1160080714 AUQRMCBIGIBHHJ-UHFFFAOYSA-N 430.935 2.507 0 40 IFAB CC1(C)Cc2n[nH]cc2CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1630694804 IGHINGIKHGOSQK-INIZCTEOSA-N 429.908 2.879 0 40 IFAB O=S(=O)(c1cccc(Cl)c1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928923 GKZJPBGSDMLSTL-ZDUSSCGKSA-N 433.921 2.745 0 40 IFAB O=C(NCC1CC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)/C=C/c2cccs2)C1 2055785153 OSRDRTZVOFUYNP-BDNZGDGKSA-N 425.558 2.748 0 40 IFAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)cc1 662346 YJSZHJSOYUSEAM-GOSISDBHSA-N 440.525 2.577 0 40 IFAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 9253903 JVBIUHGGVGHDMG-UHFFFAOYSA-N 428.514 2.883 0 40 IFAB O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccc1 9439986 HTPYDQZWXUBJPA-UHFFFAOYSA-N 444.553 2.653 0 40 IFAB O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 9591288 KGYILCAFUXKCDU-GJZGRUSLSA-N 425.919 2.543 0 40 IFAB COc1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc(OC)c1OC 9660880 CIQGRFYLIPFDNQ-UHFFFAOYSA-N 427.432 2.505 0 40 IFAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 9712066 KCADHTBABVGAKP-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)cc1 9857551 VNCSTOJRGQWEJJ-UHFFFAOYSA-N 436.859 2.531 0 40 IFAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C 10272345 XIFAYCFTDXEHMV-UHFFFAOYSA-N 431.496 2.722 0 40 IFAB O=C(NCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)NCc1ccccc1 12393303 QKQWVIJJAYMOBS-UHFFFAOYSA-N 434.462 2.849 0 40 IFAB COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccnn3C)nc12 12444208 NNESLGHBRXZLKH-UHFFFAOYSA-N 429.546 2.716 0 40 IFAB Cc1cc(NC(=O)COc2ccccc2)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 12444275 PHJJYJSZSPWJFQ-UHFFFAOYSA-N 441.451 2.620 0 40 IFAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O 12799251 KHVVADHHAXAOFJ-QHCPKHFHSA-N 448.514 2.804 0 40 IFAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)CCNC(=O)c1cccc(C)c1 12807068 UVDJPYXJCAYDDO-UHFFFAOYSA-N 425.529 2.845 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 12848930 MDPKNHDWZAHPDN-IIBYNOLFSA-N 434.514 2.579 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 13001938 UFJJLMGHXONAMC-UHFFFAOYSA-N 431.540 2.945 0 40 IFAB CC[C@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@@H]1CCS(=O)(=O)C1 13039044 SOYNFASOKJSPHE-LSDHHAIUSA-N 437.514 2.550 0 40 IFAB CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCc2ccc(F)cc2)cc1 14170528 WSFWBWXTZURHQU-HXUWFJFHSA-N 448.560 2.973 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1OC 15884232 NPJLBFNQCTVTEM-UHFFFAOYSA-N 429.498 2.827 0 40 IFAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cnn(C)c1C 17094498 LZFVQNRSTWOJQM-QGZVFWFLSA-N 425.518 2.978 0 40 IFAB O=C(NCCSCc1ccco1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 18075961 USZGHMRMGZPCDP-UHFFFAOYSA-N 426.535 2.869 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C 18668175 CJBLKADRYPFCAN-UONOGXRCSA-N 432.571 2.946 0 40 IFAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19406048 CYBWXFGGUIBGGP-OAQYLSRUSA-N 438.576 2.659 0 40 IFAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499390 LGBABQGTFJLYRI-DNVCBOLYSA-N 428.508 2.873 0 40 IFAB CCOc1cc(CN2Cc3ccccc3OC3(CCOCC3)C2)ccc1OCC(N)=O 19532217 NKEPIHHTBMEBDU-UHFFFAOYSA-N 426.513 2.893 0 40 IFAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)N2C(=O)Cn2nnc3ccccc32)N1 19713878 VOOJEXCBSXFJQP-KAGYGMCKSA-N 435.503 2.841 0 40 IFAB Cc1nc(C2CCN(C(=O)CN(C)C)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19739290 RZJXBOWBQKLJSD-UHFFFAOYSA-N 439.535 2.671 0 40 IFAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 19741359 INMRZVVGAMIUBK-SFHVURJKSA-N 438.528 2.625 0 40 IFAB COCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)nc21 19743042 WIYJUEDCYJEKPH-QGZVFWFLSA-N 442.947 2.775 0 40 IFAB Cc1cc(NC(=O)c2cccn(CC(=O)Nc3nc4c(s3)C[C@@H](C)CC4)c2=O)no1 19750595 QMYMIDNCUOKYTO-NSHDSACASA-N 427.486 2.617 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)cc1 19942413 GPMUDOKEAICPNS-UHFFFAOYSA-N 428.539 2.853 0 40 IFAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 23078634 GLLRPKSCHOSPGI-XLIONFOSSA-N 437.587 2.644 0 40 IFAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(c2ccccn2)CC1 23880965 CXKYRNQFDWPAGN-UHFFFAOYSA-N 426.546 2.754 0 40 IFAB O=C(NCc1ccnc(N2CCOCC2)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 25290089 KFDBJOPNCURUDG-UHFFFAOYSA-N 441.491 2.547 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 32999988 SBGFOBFBKOWBSU-QUCCMNQESA-N 433.549 2.831 0 40 IFAB COc1ccc(CNC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)cc1 33293172 JULOIMYQGGGXOJ-UHFFFAOYSA-N 446.463 2.899 0 40 IFAB Cc1nc(C)c(CCC(=O)OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(=O)[nH]1 40013470 DLYRDOIBFZCSJH-UHFFFAOYSA-N 448.454 2.901 0 40 IFAB COCC(=O)NC1CCN(c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1 48290559 IKYWZGOPUGYDPL-UHFFFAOYSA-N 445.734 2.924 0 40 IFAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cn1 48354928 JONHUDRCGJPTMI-UHFFFAOYSA-N 425.510 2.780 0 40 IFAB C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 58148272 AWNMUQQXYNGWOW-JXFKEZNVSA-N 431.920 2.679 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204846 KDPMQIVTNQPELQ-JOCHJYFZSA-N 438.503 2.737 0 40 IFAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)c1cc(OC)c(OC)c(OC)c1 72324879 DWNITMVWPABBHG-KRWDZBQOSA-N 429.517 2.747 0 40 IFAB Cn1cc(-c2cc(C(=O)N3CCC[C@H](c4ncc(Cl)cc4S(C)(=O)=O)C3)on2)cn1 72394243 WIFLZMZLELCELY-LBPRGKRZSA-N 449.920 2.547 0 40 IFAB Cc1ccc(Oc2ccccc2)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 79056886 BQYCKCBSSOSZHO-MRXNPFEDSA-N 441.509 2.891 0 40 IFAB CC(=O)OCC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935727 KQTAJQABUFCAQB-MLXGFVALSA-N 440.552 2.562 0 40 IFAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)c(OC)c1 219992075 COVXBXJLUCZKQI-LJQANCHMSA-N 448.541 2.606 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 223611691 BSARXEFGWJRWFY-UHFFFAOYSA-N 427.526 2.891 0 40 IFAB CSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)s1 224298823 TUBQKPWXHIDJSQ-OAHLLOKOSA-N 440.616 2.873 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 257201541 AIARMVPMQCPRDS-MRXNPFEDSA-N 434.475 2.756 0 40 IFAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)COc4ccc(F)cc4)CCO3)n2)nn1C 257282567 OUHMOYBQBSTJGD-IBGZPJMESA-N 425.464 2.985 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 257340598 ZGVYYJIHQAGWEO-DNQXCXABSA-N 435.568 2.726 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOc3ccccc32)C1 260746428 RVQRAKWDIAIPAI-KRWDZBQOSA-N 430.526 2.830 0 40 IFAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 408592984 LILSCCRWVXFRSZ-RMKNXTFCSA-N 444.553 2.567 0 40 IFAB CCc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)S(C)(=O)=O 408630248 QJWZNBBNYICVRY-UHFFFAOYSA-N 436.555 2.991 0 40 IFAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 408648054 WZWJFEDBLWOMGW-KRWDZBQOSA-N 442.468 2.623 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 408665494 FNCIMDBXHKZKAK-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 408670759 XDMVGDUERBIJEN-INIZCTEOSA-N 439.468 2.579 0 40 IFAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060823 YHPLATNDTXUUSM-VTPLCQIWSA-O 436.438 2.990 0 40 IFAB C[C@]1(c2cccc(-c3noc([C@@H]4C[C@H]4c4ccc5c(c4)OCCO5)n3)c2)NC(=O)NC1=O 544431780 YJXJSKMBUQUXHA-NXHTTZLHSA-N 432.436 2.834 0 40 IFAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN(C)C)CCO2)C1=O 643556526 MQEXQGZIADOBAU-VWLOTQADSA-N 445.604 2.580 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 1889231425 BCCLZFQFZLFXKI-CJNGLKHVSA-N 432.402 2.746 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccnc3)n2)cc1 1372827 XELOTTNZOAKDOX-UHFFFAOYSA-N 429.440 2.635 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1ccccc1Cl 2218005 KADHZCPRMDDKGI-CXAGYDPISA-N 430.888 2.857 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCN(C)C)C23CC4CC(CC(C4)C2)C3)c1 4143993 DYMRSCPTKMATHW-TVHGACNRSA-N 443.588 2.696 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCCC1=CCCCC1)C2=O 7979975 XHWWMNLYZKUNMH-HJPURHCSSA-N 433.549 2.673 0 40 IFAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCOCC2)c2sccc23)cc1C 8589300 OIHHDPHZIFJTHC-UHFFFAOYSA-N 429.527 2.625 0 40 IFAB O=C(Cn1ncc(=O)c2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 8855791 VTSPCWPVPSWBHP-UHFFFAOYSA-N 440.525 2.600 0 40 IFAB O=C1C[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CN1c1ccc(F)cc1 9036326 MXZZCVAGBDTRQI-GFCCVEGCSA-N 427.295 2.920 0 40 IFAB CSCC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)c2ccccc2C1=O 9493134 ZAOFOYZBBQVNPJ-FQEVSTJZSA-N 441.528 2.892 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1c[nH]c2ccccc12 9579271 DVPCIPOFYDSQQN-SFHVURJKSA-N 428.558 2.932 0 40 IFAB CCc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@@H]32)cc1 9675031 BENCHFZVYZZRJZ-RTBURBONSA-N 441.875 2.843 0 40 IFAB CCCCNC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 9818044 JDFJSVMVYBBTGJ-UHFFFAOYSA-N 432.448 2.925 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10370968 QVJHKTBVPLAOEI-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(N3CCCC3)n1C1CC1)CC2 11822405 MTQIHHCOZVMTTF-UHFFFAOYSA-N 443.573 2.907 0 40 IFAB CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](CC(=O)O)C(=O)O)c(C)c2oc1=O 11866812 DEQQLBLPCLYGMH-KRWDZBQOSA-N 447.484 2.956 0 40 IFAB biogenic Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3c(Cl)cccc3Cl)=C2)cnn1C 12155069 LVZFACOAMCNODO-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB CCCc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cs1 12907496 ICEKIAZRRKDATI-UHFFFAOYSA-N 437.587 2.763 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CCN(C(=O)OCC)CC1 13573722 QBGCNDQPAVSZOQ-UHFFFAOYSA-N 434.518 2.824 0 40 IFAB Cn1c(CCNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 13726112 QPCLFTOMHUKTFQ-NRFANRHFSA-N 446.463 2.917 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)cc1C 14095314 WHCBJXCCDRIJLU-UHFFFAOYSA-N 426.498 2.500 0 40 IFAB O=C([C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2O1)N1CCOCC1 16964607 DGFLOGKBMQLNEV-SFHVURJKSA-N 436.386 2.852 0 40 IFAB CCOc1ccc(OCCNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 18242751 BQOVELIZMCAYNL-UHFFFAOYSA-N 435.406 2.953 0 40 IFAB COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c(OC)c1 19291271 DOFMJPMQXDHAQN-HSZRJFAPSA-N 440.519 2.980 0 40 IFAB O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N(Cc1ccncc1)C1CC1 19405133 YTXKINLNBITEQJ-UHFFFAOYSA-N 435.572 2.735 0 40 IFAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2c1=O 20116978 MTSSQCGRHQREJX-UHFFFAOYSA-N 434.540 2.838 0 40 IFAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)sc2c1 20412479 UVTZMYWKVJXFLB-UHFFFAOYSA-N 429.479 2.981 0 40 IFAB Cc1ccccc1-c1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1C 22049665 BIZQYEPIAUAUFW-UHFFFAOYSA-N 441.582 2.929 0 40 IFAB CCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2cc(S(N)(=O)=O)ccc21 23223614 LFBOADQIWOBEID-UHFFFAOYSA-N 449.583 2.911 0 40 IFAB COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cc(C)sc2C)cc1 28058550 NRIIQRKVEHSXTO-MRXNPFEDSA-N 429.585 2.752 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1NC(=O)c1ccccc1 33741614 CXSYJTGRDASDDG-UHFFFAOYSA-N 425.466 2.847 0 40 IFAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 38180688 WOVVFJRUWZRHOV-OALUTQOASA-N 435.484 2.785 0 40 IFAB Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1NC(=O)C[C@H]2c1ccco1 38519860 LCCCCFRGRIYFIN-DOMZBBRYSA-N 437.431 2.618 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 38632331 WFRZFEFSDYNADN-OAQYLSRUSA-N 429.476 2.791 0 40 IFAB O=c1n(Cc2cccc(C(F)(F)F)c2)nc2ccc(S(=O)(=O)N3CCCCC3)cn12 49407920 ICWPLMWBJOHELB-UHFFFAOYSA-N 440.447 2.738 0 40 IFAB COC(=O)c1ccccc1N(CC(=O)c1ccc(Br)s1)S(C)(=O)=O 57486384 DGGAAVYTBGACQL-UHFFFAOYSA-N 432.317 2.946 0 40 IFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69561503 SVSQRDNKXJCUFG-ZDUSSCGKSA-N 427.486 2.726 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1 71917002 DAMHLVCXOJJDOS-UHFFFAOYSA-N 433.560 2.635 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccnc4)nn3c(O)c2C1 100233900 XJHQWDCNIDURPJ-OAQYLSRUSA-N 432.528 2.852 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2F)s1 102863750 GUNLVDYYORHOLJ-DYTRJAOYSA-N 439.559 2.631 0 40 IFAB COc1ccc(OC)c(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 107802918 HJMVKURJGKRXMV-UHFFFAOYSA-N 426.256 2.704 0 40 IFAB CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(Br)cc3)CC2)CC1 219421558 VJIVCSDARGWJFW-UHFFFAOYSA-N 438.366 2.962 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219671172 IFLPIOOBZBELRN-QGZVFWFLSA-N 444.509 2.648 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 222759843 FJLDHQLEQJFOKJ-NRFANRHFSA-N 449.548 2.728 0 40 IFAB CCCc1nnsc1C(=O)N(C)[C@@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@H]1O 257291450 QGZXXFIUNRCDQW-TXTKFYIRSA-N 444.601 2.940 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@@H]2CCCO2)cc1C 408551822 MSFHAXZTMJACSG-FQEVSTJZSA-N 446.569 2.532 0 40 IFAB NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CC1 510991078 GXSIWWNGUVWWAZ-QFIPXVFZSA-N 447.539 2.841 0 40 IFAB COc1cc([C@@H](CC(=O)NCc2nc(C(C)C)no2)c2oc(C)cc(=O)c2O)ccc1O 524729804 JTMNUZUYSYBOSZ-CQSZACIVSA-N 443.456 2.713 0 40 IFAB biogenic COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)n2)cc1 524733433 RFIFEWSAFWBPFS-HXUWFJFHSA-N 435.480 2.740 0 40 IFAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)Cn4nnc5ccccc54)CCO3)n2)s1 643550855 PPUADZAZNZYSDD-SFHVURJKSA-N 435.513 2.935 0 40 IFAB CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC 932010 BOEASNBQOOOIQS-UHFFFAOYSA-N 427.461 2.793 0 40 IFAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3521852 DHRARJBYTLUTEL-SNVBAGLBSA-N 433.540 2.711 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 9126445 PBQWMFXDZLLWIW-QGZVFWFLSA-N 445.585 2.635 0 40 IFAB COc1ccc([C@@H](CNC(=O)CN2CCC[C@H](C(N)=O)C2)c2c[nH]c3ccccc23)cc1 9619454 SOWFAYDYJAUDDB-GHTZIAJQSA-N 434.540 2.622 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1 9677542 SNBXMKOXLWWJCV-UHFFFAOYSA-N 440.525 2.668 0 40 IFAB COc1ccc(-c2nc(COC(=O)C3CCN(S(C)(=O)=O)CC3)cs2)cc1OC 9984518 GTAGPXMIEOUVSE-UHFFFAOYSA-N 440.543 2.542 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 10009227 VKYKOCAFYGFKSW-FQEVSTJZSA-N 445.541 2.772 0 40 IFAB CN(C)CCCNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 10111435 WJGGVOQELHBFTK-UHFFFAOYSA-N 447.645 2.988 0 40 IFAB CC(C)N(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030471 ZZIRJPFYASIRMP-FQEVSTJZSA-N 435.567 2.698 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)n4ncc5ccccc5c4=O)C3)cc2n1 12134632 IZIXTYHINHHUOD-RDJZCZTQSA-N 446.511 2.674 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)Cn3nc(C)c4ccccc4c3=O)nn2c1O 12154101 TYIKOFJZPKZOSW-FQEVSTJZSA-N 446.511 2.688 0 40 IFAB Cc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)Cn3ncc4ccccc4c3=O)CC1)O2 12154164 SXVJIVRVMMZNIS-QHCPKHFHSA-N 431.492 2.978 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2CC(C)C)n1 12231629 VLNFOYWFMWJXNW-UHFFFAOYSA-N 434.544 2.988 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O)Nc1ccc2c(c1)OCO2 12469451 BKKWZLYGXDMPOW-APSNUPSMSA-N 426.406 2.789 0 40 IFAB Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 12589065 MSMNMAOKDLWDED-UHFFFAOYSA-N 426.897 2.990 0 40 IFAB CCN1CCN(C(=O)C2CCN(Cc3cc(Br)c(O)c(OC)c3)CC2)CC1 12630987 YTBBNERVRYXRSP-UHFFFAOYSA-N 440.382 2.539 0 40 IFAB CNS(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cc1 12640793 ZOYFWOWLZAHJBX-SDNWHVSQSA-N 430.526 2.588 0 40 IFAB CCCCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1OC)c(=O)n2CCCC 13039070 FGMNZXRAGXZGQJ-UHFFFAOYSA-N 441.532 2.916 0 40 IFAB CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 13130859 HZTPYIISKLDEAS-UHFFFAOYSA-N 435.977 2.741 0 40 IFAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 13164453 YIHLNSFFRQBQBT-KRWDZBQOSA-N 432.571 2.803 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccc(Cl)cc12 13556066 UZFLCNCFVZZYLV-QFIPXVFZSA-N 438.823 2.810 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccccc1 14374516 NFAMVEUOGVETRC-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(I)c1 15305518 VCWRXYGZYQWZOW-ZIAGYGMSSA-N 426.254 2.795 0 40 IFAB COc1cccc2sc(N3CCN(C(=O)CCS(=O)(=O)c4ccccc4)CC3)nc12 15882409 LQIGIEITJAFQGV-UHFFFAOYSA-N 445.566 2.818 0 40 IFAB CC(C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 17113093 PRNVHFWWMJDXMZ-KRWDZBQOSA-N 426.535 2.681 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)nc(O)c2C1 19014763 OQCFKGFYXVRMBZ-UXHICEINSA-N 442.560 2.880 0 40 IFAB Cc1cccc(OC[C@H](O)CN2CCN(CC(=O)c3ccc(Br)cc3)CC2)c1 19229505 DGBXRWBJIVSWCX-HXUWFJFHSA-N 447.373 2.998 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2cnccn2)CCO1 19529341 AGXPBLJEBCLZKO-QHCPKHFHSA-N 436.537 2.795 0 40 IFAB CCN(CC)CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19744332 NXJPJDXXJAFSKX-OAQYLSRUSA-N 435.572 2.922 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 19748781 YNCOIAIGMSPKRP-FQEVSTJZSA-N 434.537 2.618 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1OC 20005637 BPJHMBHBOSEQFP-IBGZPJMESA-N 434.558 2.756 0 40 IFAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 20017909 XFJNZNRABAXAPC-INIZCTEOSA-N 432.542 2.982 0 40 IFAB CCOCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CC(C)C)CCCC4)CC1 20715855 VLFNGQKVJKJERL-UHFFFAOYSA-N 432.590 2.678 0 40 IFAB CCCOc1ccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 22401271 ROQOYONBVBOYHQ-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COc1ccc(C)cc1CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 22790308 HBWRPLCZHOCVBQ-UHFFFAOYSA-N 436.556 2.652 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(CC(=O)NC2CC2)CC1 22793420 MWTXQDBXLXTGOX-DEOSSOPVSA-N 436.556 2.580 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 24101746 WXQGYMQXQAIKGV-UHFFFAOYSA-N 432.955 2.655 0 40 IFAB O=C(OCC(=O)N1CCNC1=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 24513017 HAIRLRGMHYNRLB-UHFFFAOYSA-N 438.871 2.960 0 40 IFAB Cc1c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cnn1-c1cccc(Cl)c1 24741139 RNQCUISCZHOREW-UHFFFAOYSA-N 429.908 2.819 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2C(C)C)NC(=O)N[C@H]1c1ccc(Cl)cc1 24835031 NUIMEBYDWCRHKF-HNNXBMFYSA-N 436.925 2.871 0 40 IFAB C[C@@H]1Cc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc2N1S(C)(=O)=O 26163060 PQDNWCDSXKZMRV-CYBMUJFWSA-N 431.539 2.973 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 28057123 GXYNJQINGUMKPA-UHFFFAOYSA-N 437.827 2.931 0 40 IFAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc(-n2nccn2)cc1 32926594 AISWRKARCXZQKC-UHFFFAOYSA-N 438.538 2.926 0 40 IFAB CC(C)c1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)c2c1cnn2C(C)(C)C 36665702 SDJFXZSDIYYZOJ-UHFFFAOYSA-N 436.560 2.820 0 40 IFAB NC(=O)[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c2ccccc2O1 37201839 BDDQVYNHTWZPRI-NFBKMPQASA-N 433.533 2.975 0 40 IFAB COc1ccccc1-n1nnc2c(=O)n(Cc3nc(-c4ccc(C)c(C)c4)no3)cnc21 38654877 MPOKOIOJPSGPHA-UHFFFAOYSA-N 429.440 2.701 0 40 IFAB COc1cccc2cc(C(=O)N3CCN(C(=O)[C@H]4C[C@H]4c4cccs4)CC3)c(=O)oc12 38730711 QINHOPIEUKLPGW-CVEARBPZSA-N 438.505 2.951 0 40 IFAB CC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cn1 40134468 MHPOSBHESDBUFQ-UHFFFAOYSA-N 427.486 2.960 0 40 IFAB COCc1nn2c(ncc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccc(F)cc1 40397202 VDZLNTXBXUVGCA-UHFFFAOYSA-N 444.426 2.776 0 40 IFAB CCOCCCNC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 57743949 GTYSEBNXUVPXJP-GOSISDBHSA-N 440.548 2.723 0 40 IFAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1OC 71283095 KIUVYIQACJUHDL-GXTWGEPZSA-N 435.502 2.701 0 40 IFAB Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)Cn2cnc3c(cnn3C)c2=O)c1 72290500 QNXAZYQQRBLWEB-UHFFFAOYSA-N 443.467 2.831 0 40 IFAB CC1(C)CN(Cc2nc(-c3ccccn3)no2)CCN1Cc1nc(-c2ccccn2)no1 72308687 REYAGGOVEMSGEH-UHFFFAOYSA-N 432.488 2.673 0 40 IFAB COc1ccc([C@]2(O)CCC[C@H]3CN(C(=O)Cn4ncc5ccccc5c4=O)C[C@@H]32)cc1 72340417 LEMNJADUNOAKCR-KDSXSNECSA-N 433.508 2.551 0 40 IFAB CC(C)OCC(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 72352065 YJHICKLDZAAMJF-INIZCTEOSA-N 443.523 2.586 0 40 IFAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 72404630 NCVGRIAESUFRPU-INIZCTEOSA-N 430.936 2.885 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1 77196490 QZMUTZMCNMPLJD-UHFFFAOYSA-N 448.526 2.756 0 40 IFAB Cn1ccnc1Sc1ncc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1Cl 78972328 VSFGSFBMAPXGRI-CQSZACIVSA-N 438.937 2.802 0 40 IFAB CN(C)C(=O)CNC(=O)c1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1Cl 89311978 SLRYEJVWZNKFCG-UHFFFAOYSA-N 447.944 2.713 0 40 IFAB O=C(CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)Nc1ccc(Cl)cc1 95427600 DUDMGUFEXVJUKZ-UHFFFAOYSA-N 425.872 2.843 0 40 IFAB CC(C)CN1[C@H]2CCN(C(=O)c3cccnc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145755 QFQIBWKOFUBVGR-OALUTQOASA-N 429.542 2.794 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)c1 102943312 LUIRGRRWBQZTIC-KBPBESRZSA-N 427.482 2.717 0 40 IFAB CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 113946894 HCMBIEBRDATUNX-UHFFFAOYSA-N 448.416 2.746 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)c3ccc(F)cc3)C2)cc1F 211106562 FMGMKPFDSTYWCZ-MRXNPFEDSA-N 431.482 2.600 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCN3CCOCC3)c2)cc1 216486535 XYXLBLIZTMYXGS-UHFFFAOYSA-N 437.949 2.511 0 40 IFAB COc1ccc2c(c1)[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)CC(C)(C)O2 224010710 YAZGURFCPDYDFJ-LJQANCHMSA-N 432.542 2.875 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc(N2CCCC2=O)c1 224093032 AIISARRSUOCFQT-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225098427 ISTLDJDZXMBBJB-UHFFFAOYSA-N 432.267 2.965 0 40 IFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)C1 247951961 SZOITKIURBBZOI-IWQHBPENSA-N 433.556 2.888 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 248320084 RNLHNQZTFSGCCQ-VWFBZHOWSA-N 426.513 2.743 0 40 IFAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 253403943 QRHIWZHFLVYVJD-HXUWFJFHSA-N 449.598 2.584 0 40 IFAB Cc1nccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(N3CCN(C)CC3)cc2)[C@H]1O 257315632 VCFIQLKPWRIJHA-DNVJHFABSA-N 425.577 2.560 0 40 IFAB CCc1noc(C)c1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643556829 QBQWXCSUFRHDDL-DEOSSOPVSA-N 441.528 2.678 0 40 IFAB CN(Cc1cnc2n1CCOC21CCN(C(=O)c2cc(C3CC3)on2)CC1)CC1CC1 1565556084 MRIGSPKOQOHVHW-UHFFFAOYSA-N 425.533 2.752 0 40 IFAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2OC)C1=O 2111123 ORWVEHQFKJGYIK-RDPSFJRHSA-N 433.508 2.898 0 40 IFAB biogenic COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc21 6177953 GFIMJNFSXJYUDG-QFIPXVFZSA-N 430.512 2.930 0 40 IFAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 8670633 PWTVWAXQEJCFMY-AWEZNQCLSA-N 434.518 2.548 0 40 IFAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1I 9323690 FAJGPWPUVPLLJD-IZZDOVSWSA-N 433.223 2.811 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1 9507692 NGPKDQXWUBUHRV-UHFFFAOYSA-N 431.283 2.856 0 40 IFAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9644517 LXLNLBLKQDSJCM-NSHDSACASA-N 449.458 2.917 0 40 IFAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(OC)cc1 9670836 YVDOCHPZECMHHQ-HXUWFJFHSA-N 436.505 2.736 0 40 IFAB Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10233505 WOSZVOMHHGUYBL-GOSISDBHSA-N 434.544 2.553 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10444905 BETCQEHUSUJJNL-IBGZPJMESA-N 449.598 2.928 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccccc1Cl 12071553 GNOBAFYHTXRFEA-UHFFFAOYSA-N 425.851 2.864 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3ccc(C)cc3)nc21 12251450 MWEPUUCEIXZKOH-UHFFFAOYSA-N 433.443 2.709 0 40 IFAB O=C(NCCc1ccccc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 12322203 WGWCLXVTUNLZGL-FQEVSTJZSA-N 437.515 2.776 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)n4c(=O)oc5ccccc54)CC3)n2)cc1 12770695 JUKXCEGHOAKNBX-QGZVFWFLSA-N 447.495 2.858 0 40 IFAB COc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1S(=O)(=O)N(C)C 12847492 OSRBPLUUBIFCPL-UHFFFAOYSA-N 428.457 2.819 0 40 IFAB O=C(Cn1nc(O)c2ccccc2c1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 12893574 CHFQMTQFOMMXLX-UHFFFAOYSA-N 426.904 2.536 0 40 IFAB Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 12901617 REDZIAZDMHQATC-UHFFFAOYSA-N 435.513 2.645 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cccnc1N1CCCC1 12972518 KKCYNQXPPNQLLL-UHFFFAOYSA-N 430.892 2.589 0 40 IFAB COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 13102733 CZXTWSJAXQSLDH-PZJWPPBQSA-N 441.553 2.688 0 40 IFAB CCC(=O)NC1=N[C@]2(C(=O)N(CC)c3ccccc32)n2c(nc3ccccc32)N1C(=O)CC 14608217 RRNQTSNTASHRSZ-DEOSSOPVSA-N 444.495 2.743 0 40 IFAB COCc1c(C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)oc2ccccc12 14780614 GCIHQWOMJCCAPK-UHFFFAOYSA-N 425.437 2.866 0 40 IFAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)cnc21 14800608 NWZGNCJEEXUZHA-UHFFFAOYSA-N 446.298 2.710 0 40 IFAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCC1)CC2 19463437 VVKVLSORIMQOKI-WRWLIDTKSA-N 426.561 2.945 0 40 IFAB CCCN1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502861 YDOGIYSWCUBJRO-VQTJNVASSA-N 439.581 2.933 0 40 IFAB CCc1nnsc1C(=O)N1CCC(c2ccc(-c3ccc(C(=O)NC)nc3)cn2)CC1 19687975 QEYQGDPSMHTAOE-UHFFFAOYSA-N 436.541 2.937 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)n1 19744937 TYFUSSUNPKPWQM-JOCHJYFZSA-N 436.556 2.619 0 40 IFAB COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)c2ccccn2)CC1 19757028 WPBGMBXUMNXVMG-UHFFFAOYSA-N 445.523 2.905 0 40 IFAB COc1ccc(Cl)cc1N1C(=O)/C(=C\N[C@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 20518893 ZEOGUKMKGRHJSY-FMNVXAMXSA-N 446.912 2.653 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 20559101 MYOHWRUVDAWMAA-FQEVSTJZSA-N 432.590 2.870 0 40 IFAB O=C(c1ccccc1SC(F)F)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134254 RRKIJFCMMBYARL-UHFFFAOYSA-N 430.484 2.935 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCCCCOc1ccc(F)cc1 25342047 IMVRGEHGUFVKFN-SFHVURJKSA-N 439.509 2.559 0 40 IFAB COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(OC)c1OC 32797506 XEEJWIQSIKZNHM-UHFFFAOYSA-N 448.497 2.547 0 40 IFAB Cc1cc(N2CCN(C(=O)CS(=O)(=O)CCCc3ccccc3)CC2)nc(C(C)C)n1 33223756 MUYUEAODNJBIHV-UHFFFAOYSA-N 444.601 2.605 0 40 IFAB COc1ccccc1CNC(=O)Nc1snnc1C(=O)NCc1ccccc1OC 33436166 QNWUDMYWZGRXHG-UHFFFAOYSA-N 427.486 2.807 0 40 IFAB CCN1CCN(C(=O)c2nnc3c(-c4ccc(Cl)cc4)c(COC)nn3c2C)CC1 39963912 VHZDTYBKBCDNOQ-UHFFFAOYSA-N 428.924 2.677 0 40 IFAB COC(=O)c1cc(CN(C)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)oc1C 57893223 DACJFZJHOACJOM-UHFFFAOYSA-N 449.467 2.896 0 40 IFAB CCCN(C)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 67338421 TZHPBRHFUGBQRP-UHFFFAOYSA-N 447.605 2.513 0 40 IFAB CCO[C@@H](C)c1noc(CN2CCCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 78950335 HGCNSMNQQXXFPJ-OALUTQOASA-N 429.565 2.722 0 40 IFAB COC(=O)[C@H]1CCCC[C@]1(C)NCC(=O)Nc1ccccc1C(=O)NCc1ccco1 95444034 XEOMURKUNOTBDR-JPYJTQIMSA-N 427.501 2.860 0 40 IFAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccc5F)CC4)c3CO2)cc1 97943629 MBTAAEZWJRXRME-NRFANRHFSA-N 449.486 2.595 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCN4C(=O)c4ccc(F)cc4)nn3c(O)c2C1 100234875 OPJQFCBXGAMIGE-FQEVSTJZSA-N 449.486 2.846 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C[C@H](CNC(=O)OC(C)(C)C)C[C@H]3C)CC2)c1 107534123 CNXCVJQZDWAQGF-UXHICEINSA-N 430.593 2.879 0 40 IFAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220672813 SEOKDRUMEFFCAI-OAHLLOKOSA-N 433.447 2.946 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 223789237 XJRZXFMYCULPRI-OAHLLOKOSA-N 444.513 2.558 0 40 IFAB COc1cc2c(cc1S(=O)(=O)NCc1cccc(CN3CCOCC3)c1)CCCC2 224755029 TYYASXXLHBXWIM-UHFFFAOYSA-N 430.570 2.885 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O 248189743 KBYNEFDHULKTTC-DUBGADTFSA-N 434.334 2.624 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 253601847 FXGCNPNVFBQWKA-LCXONAHVSA-N 442.556 2.809 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1C 408661438 VVJYZBKNPMYNAH-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB O=C(c1ccccc1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 409058101 RFJRFBOXMIXCNC-UHFFFAOYSA-N 435.524 2.612 0 40 IFAB CCOc1ccc([C@@H]2CCCN2C(=O)Cn2cnc3c(nnn3-c3ccccc3)c2=O)cc1 520519360 OWTHEXVMQAQLRN-FQEVSTJZSA-N 444.495 2.740 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1Cc2ccccc2-c2ccccc2C1 523200206 KTAKIZHSYVRZAW-UHFFFAOYSA-N 425.496 2.945 0 40 IFAB Cc1nn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1-c1ccsc1 575612421 DQNALXIROCGCMB-UHFFFAOYSA-N 432.571 2.909 0 40 IFAB OC1(CN2CCC(COc3noc4cccc(O[C]5CCOC5)c34)CC2)CCOCC1 1560403717 GAPVTZSWRUSPNS-UHFFFAOYSA-N 431.509 2.791 0 40 IFAB CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2ccc(N3CCCCC3)cc2)c1 1848353999 FLTAFMFLZLYPMD-HSZRJFAPSA-N 435.572 2.622 0 40 IFAB CC(C)(C)c1ccc(OC[C@@H]2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)nn1 1888916685 XFXVBZDRVBSWSD-CYBMUJFWSA-N 432.502 2.711 0 40 IFAB CC(=O)N1CCC(N2CCO[C@@]3(CO[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C3)C2)CC1 2037976933 RNUSAAJNNDAYJJ-XZDHIHRUSA-N 430.545 2.723 0 40 IFAB O=C(NC1CCCC1)c1ccc2c(c1)[C@H](C1CCN(C(=O)[C@H]3CCOC3)CC1)C(=O)N2 2055771618 MRXMGSPTOFXRPA-UWJYYQICSA-N 425.529 2.670 0 40 IFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)no1 4400655 BPMNIRPIPWXYDB-UHFFFAOYSA-N 430.480 2.928 0 40 IFAB NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 8710299 CMOCDXLEBVZIHV-UHFFFAOYSA-N 439.449 2.567 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccccc3)n2Cc2c(F)cccc2Cl)n(C)c1=O 8926237 GDOPQLOPLMUMJN-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB Cc1nc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)sc1C 9302344 JEMVGNSZWGCDOV-UHFFFAOYSA-N 434.522 2.688 0 40 IFAB O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9470996 QSDLWYYCKAJRJH-HXUWFJFHSA-N 441.553 2.919 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 9703979 ALVJOOPREFZKGF-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2F)c(C)c1 9806367 JQYRDTHSGDFVGO-KRWDZBQOSA-N 447.532 2.659 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)NCCc2ccc(OC)c(OC)c2)cc1OCC 10109485 DVZFCKFFRNCCTH-UHFFFAOYSA-N 430.501 2.590 0 40 IFAB COc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(F)(F)F)cc4)nc32)c1 10187995 LSOASFGHMVIZQV-UHFFFAOYSA-N 429.358 2.902 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 10232221 JBAUWNOPCYKRME-INIZCTEOSA-N 440.803 2.560 0 40 IFAB COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030585 SNSLJUHTIPMEPI-OAHLLOKOSA-N 443.930 2.562 0 40 IFAB O=C(Nc1cccc2cccnc12)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031484 HAIRUNWUIARWSB-OAHLLOKOSA-N 448.497 2.587 0 40 IFAB CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12293058 JZJCNYVRGHXFMT-LJQANCHMSA-N 439.537 2.512 0 40 IFAB C[C@@H]1Cc2cc(C(=O)N[C@@H](c3ccccc3F)c3nccn3C)ccc2N1S(C)(=O)=O 12519856 GRUVPEPMQBUPJK-VLIAUNLRSA-N 442.516 2.789 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1 12781322 BVTIUGLMNFOPNK-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB COc1cc(C(=O)OCC(=O)N(C)Cc2ccc3c(c2)OCCO3)ccc1OC(F)F 13158108 DCPWCRNOHFMIJO-UHFFFAOYSA-N 437.395 2.883 0 40 IFAB C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H]1C 13165114 QJWQBNBLMGDWSK-RRFJBIMHSA-N 434.027 2.649 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 13566386 YSTZYNWAAXAHKH-UHFFFAOYSA-N 440.905 2.817 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715518 QHLCVSCBACPQCZ-LJQANCHMSA-N 437.512 2.858 0 40 IFAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 13847897 ALQRAJVYSSRYFQ-SFHVURJKSA-N 430.526 2.539 0 40 IFAB COc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 14578488 DQOQJWNVQQPRHQ-LJQANCHMSA-N 432.498 2.648 0 40 IFAB CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12 15319317 CCJUYJPNWLJZOB-HOSCZWGSSA-N 435.499 2.817 0 40 IFAB CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15956612 HZUZNQSIBXXFOD-ZHSNQQFMSA-N 427.570 2.720 0 40 IFAB biogenic COCCn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc2ccccc2c1=O 17660756 IWEYEVQHFILSIB-FQEVSTJZSA-N 439.537 2.735 0 40 IFAB COc1ccc([C@H]2N(C(=O)c3cnn4c(C)cc(C)nc34)CCC[C@]23CCC(=O)N3)cc1 19116543 XBDQVVVQAVUKAR-QPPBQGQZSA-N 433.512 2.981 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(CC)CC3)cc2c1 19522953 IAMOMQQLJXADGQ-JOCHJYFZSA-N 435.576 2.919 0 40 IFAB Cc1ncccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 19582912 BHGZMPMTNGFADJ-OAQYLSRUSA-N 449.555 2.916 0 40 IFAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CN(CCc3ccccc3)CCO2)n1 19694897 GBUNXSNTOZYCAD-JOCHJYFZSA-N 431.540 2.925 0 40 IFAB CCc1noc(CCC(=O)N2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)n1 19708370 BZKIEWLBXWZDID-UHFFFAOYSA-N 425.533 2.992 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CC(=O)N2CCc1ccccc1F 19744178 QIRBOTKGLBSYMY-HXUWFJFHSA-N 448.502 2.616 0 40 IFAB Cc1ccc2c(CC(=O)N3CC[C@@H](c4ncc(C(=O)N5CCOCC5)c(C)n4)C3)coc2c1 19757785 CXQALEHDTNMMJM-GOSISDBHSA-N 448.523 2.871 0 40 IFAB O=C(NCCc1csc(-c2ccccn2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 19942312 VABXPJNMPQZTFN-UHFFFAOYSA-N 442.566 2.962 0 40 IFAB Cc1nnc(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)s1 20102677 CLFFPAHQYWGYNT-INIZCTEOSA-N 434.568 2.644 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(O)c4ccccc4n3)CC2)cc1 22053198 HXHGHNGFSVOSGU-MRXNPFEDSA-N 426.542 2.965 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccc(F)cc1 22273526 FTMUCHNDIOIHEW-UHFFFAOYSA-N 448.257 2.835 0 40 IFAB Cc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)CCC(=O)O 23115091 MVTKDMIAKSAROU-LJQANCHMSA-N 429.498 2.909 0 40 IFAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1 26497166 VIMICXILJIMYDU-IBGZPJMESA-N 434.489 2.597 0 40 IFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 32109722 CRPJUIZGEAELOY-MRACZJACSA-N 443.861 2.800 0 40 IFAB O=C(CCN1C(=O)CCC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32747882 TVWZCLMRVYVKEF-UHFFFAOYSA-N 441.478 2.738 0 40 IFAB CCc1c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cnn1-c1ccc(OC)nn1 32763156 QKGXAMXUQVUVTB-QGZVFWFLSA-N 426.546 2.862 0 40 IFAB COc1ccc([C@@H]2CCCCCN2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 36384053 FNGZRGLXURCRQV-QFIPXVFZSA-N 444.620 2.671 0 40 IFAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 36610971 PCUGRWYXNUQSFH-KGLIPLIRSA-N 436.877 2.536 0 40 IFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCCN3C[C@@H](C)C[C@@H](C)C3)cc(C(C)C)nc21 40146757 BDONJYRNUMUOSU-CALCHBBNSA-N 443.592 2.716 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44874847 RAHMQPDJCANPEF-UHFFFAOYSA-N 444.601 2.845 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)c(C)c4)ncn3n2)cc1 51316938 WZGKDCGABRIWJL-UHFFFAOYSA-N 431.496 2.890 0 40 IFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@](C)(O)c3cccs3)cc21 77184995 MYNIKSRLDSVUAP-QFIPXVFZSA-N 429.542 2.646 0 40 IFAB Cc1ccccc1CNC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 96144745 ZCHLSNMHUKUECE-HXUWFJFHSA-N 439.560 2.563 0 40 IFAB Cc1nc2n(c(=O)c1C)CN(CCN1CCOCC1)CN2c1ccc(Cl)cc1Cl 96305509 CUVGZLVHTPOUCK-UHFFFAOYSA-N 438.359 2.868 0 40 IFAB COc1ccc(NC(=O)c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cc1 97000693 PAQBIVYMBDSHKT-UHFFFAOYSA-N 431.495 2.909 0 40 IFAB Cc1nc2cc([C@H]3CCCN(C(=O)[C@H](C)c4n[nH]c(=O)c5ccccc45)C3)nn2c(O)c1C 100137711 JPJXSHZKKAAJOQ-ZBFHGGJFSA-N 446.511 2.798 0 40 IFAB Cc1nc2ccccn2c1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 225564181 LORWDIKJKAHUSP-UHFFFAOYSA-N 434.422 2.678 0 40 IFAB COCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409000159 DXTWQAGQTUBBAZ-FQEVSTJZSA-N 428.485 2.568 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Br)c(Cl)c1 409223577 HAEDBBJNODLYMM-UHFFFAOYSA-N 429.679 2.886 0 40 IFAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@@H](C)N(C(=O)c2cc4ccccc4[nH]2)CC3)cn1 585096202 AZXMMVBFEUEOJD-OAHLLOKOSA-N 429.484 2.610 0 40 IFAB CN1CCOc2ccccc2CCCC[C@@]2(CCCN(C(=O)CN3CCCC3)C2)C1=O 643561311 FFCDJTRPGIEEDE-VWLOTQADSA-N 427.589 2.955 0 40 IFAB CNC(=O)C12CCCCN(C(=O)CC3CC3)CCOc3ccccc3C(=O)N(CC1)CC2 643574250 LIIWXPYQLWDVAZ-UHFFFAOYSA-N 441.572 2.846 0 40 IFAB CCn1c(CCCC(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)nc2ccccc21 2037880160 KGKMUWGPIGEUGY-DEOSSOPVSA-N 436.560 2.659 0 40 IFAB Cc1nn(Cc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)c(C)c1Br 2791119 UKHOLLHSNHDMTE-UHFFFAOYSA-N 448.350 2.973 0 40 IFAB CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccccc2F)c(=O)[nH]c1=O 3565741 ZSDARLUGIZFEAG-UHFFFAOYSA-N 440.475 2.914 0 40 IFAB O=C(CSc1nnnn1-c1ccccc1)NC(C(=O)O)(c1ccccc1)c1ccccc1 8815685 PVWDNYJHIUEKJL-UHFFFAOYSA-N 445.504 2.899 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNCCOC)c1 9119500 MPYSXUZBMQTPNM-UHFFFAOYSA-N 425.938 2.730 0 40 IFAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc2ccccn12 9130441 FGYLRRPPJTZCLP-KRWDZBQOSA-N 441.557 2.714 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 9263754 QRIOQCYKMNASDV-GJZGRUSLSA-N 431.562 2.792 0 40 IFAB Cc1c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)c(=O)n(-c2ccccc2)n1C 9508962 YJBNKBJUZBPZEI-UHFFFAOYSA-N 433.497 2.739 0 40 IFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(OCC(F)(F)F)cc1 10979937 HRXGMLCNGKXESS-UHFFFAOYSA-N 427.404 2.695 0 40 IFAB CCn1c(=O)c2ccccc2n(CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1=O 11075723 WDNBUPGDCRPFBE-UHFFFAOYSA-N 428.492 2.980 0 40 IFAB CS(=O)(=O)N1CCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 12188761 GMDATUMUIGETSO-GOTSBHOMSA-N 448.560 2.555 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1 12553867 LDGYNTDCBKFKPO-UHFFFAOYSA-N 431.514 2.698 0 40 IFAB O=C(O)CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12945946 RVZVDIDOBHYEHU-UHFFFAOYSA-N 436.574 2.727 0 40 IFAB CC(C)[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 13502736 IYIGWQRTZPNNGF-HXUWFJFHSA-N 449.573 2.526 0 40 IFAB Cc1cccc(-c2ocnc2C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 13565416 KFOFWUSXLHXQMJ-UHFFFAOYSA-N 440.525 2.984 0 40 IFAB COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)CC1 13669310 CCDDETAURAGQFI-UHFFFAOYSA-N 442.965 2.786 0 40 IFAB CCc1ccc(N(CC(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 14155679 BCSAGRMICXLUCP-UHFFFAOYSA-N 429.586 2.917 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 14254374 UDGFTCCKHILLQE-LFVRLGFBSA-N 439.468 2.694 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)sc2c1 16678044 DAZMVPXIRDIQEO-UHFFFAOYSA-N 428.495 2.508 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 16851251 NKQOSUAALJHCGB-UHFFFAOYSA-N 425.470 2.613 0 40 IFAB Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCC(=O)Nc2cccc(F)c2)cc1 17041467 OKHGTDQNBJVKOR-UHFFFAOYSA-N 442.516 2.870 0 40 IFAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2N2CCCN12 19168122 PMSDETNOPBQOLI-QYZOEREBSA-N 442.313 2.993 0 40 IFAB COc1cccc([C@@H]2CN(C(=O)c3c4c(nn3C)CCCC4)C[C@]23CCCCC(=O)N3)c1 19288653 LCSYERBYNLEEJX-NBGIEHNGSA-N 436.556 2.976 0 40 IFAB O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19337772 HDRMLWYVKCSTPO-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19528367 MBLCNGGJUHMXEY-RLWLMLJZSA-N 448.567 2.514 0 40 IFAB CNc1nc([C@@H]2CCCNC2)nc2c1CCN(C(=O)c1cc(-c3cccc(OC)c3)on1)C2 19708806 LXISFJVFPSOQJH-MRXNPFEDSA-N 448.527 2.847 0 40 IFAB Cc1ncc(C(=O)Nc2ccccc2)c([C@@H]2CCCCN2S(=O)(=O)N2CCCC2)n1 19766701 BJLHKIVRJRKIJL-IBGZPJMESA-N 429.546 2.905 0 40 IFAB NC(=O)c1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 19869140 XLDZDRQJUIAHGL-UHFFFAOYSA-N 425.441 2.739 0 40 IFAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1OC 19934395 HWVBUJJETJKBFH-UHFFFAOYSA-N 448.541 2.769 0 40 IFAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)s2)c1 20486298 UADKAGNGPORILJ-LBPRGKRZSA-N 430.511 2.939 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN(C)CCc2ccccn2)cc1 20503825 SAKOXCJNZNGGGA-QNWVGRARSA-N 442.629 2.553 0 40 IFAB biogenic,in-vitro CCCS(=O)(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C(C)C)CCCC4)CC1 20733502 PSPDKMTVZRDQCX-UHFFFAOYSA-N 438.619 2.780 0 40 IFAB COc1ccc(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c(OC)c1OC 20754171 ITWPBPWJZFOYEO-UHFFFAOYSA-N 434.558 2.836 0 40 IFAB Cc1ccc(C)c(Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(-c3cccs3)c2=O)c1 23141027 ILHOWRNEZVJEER-UHFFFAOYSA-N 446.598 2.900 0 40 IFAB COc1ccccc1NC(=O)CSc1nn2c(=O)c(Cc3ccccc3)nnc2s1 27526520 HZPWYTXCWZLGOF-UHFFFAOYSA-N 439.522 2.876 0 40 IFAB O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)N1CCCC1 35338757 FAKCCJGAQSNYKY-UHFFFAOYSA-N 443.551 2.920 0 40 IFAB C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2c(F)cccc2Cl)C[C@@H](C)O1 35590447 YWVVOSOOEFJZIF-CHWSQXEVSA-N 432.887 2.662 0 40 IFAB O=C(CN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1)N1CCCC1 36386844 UXFQUXWYFPKGFN-UHFFFAOYSA-N 429.524 2.677 0 40 IFAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1Cc1ccco1 36451014 UGATWYGQIGBGQM-UHFFFAOYSA-N 447.582 2.997 0 40 IFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc54)[nH]c(=O)c32)c(F)c1 38828234 ZXMKKCYIKWBCAH-CQSZACIVSA-N 433.443 2.976 0 40 IFAB O=C(NCCNc1ncc(Cl)cc1Cl)c1nc(N2CCOCC2)ncc1Cl 48303380 TYXUCKMARUTCCC-UHFFFAOYSA-N 431.711 2.510 0 40 IFAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)c(=O)[nH]c2c1 57589634 VSTSKESLFRLKNU-JOCHJYFZSA-N 448.502 2.557 0 40 IFAB O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 60369349 PQPRQFBKFDUROV-FUHWJXTLSA-N 430.524 2.834 0 40 IFAB CO[C@@H]1CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)[C@@H]1O 67902817 VMCFTVWDHVWSOB-WVXUWGIFSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)NCc1ccc(F)cc1Cl 72325864 BGWCDBPHBDIOPC-JOCHJYFZSA-N 444.894 2.660 0 40 IFAB Cn1cc(C(=O)N2CCOCC2)c(CC2CCN(C(=O)c3cccc4ncccc34)CC2)n1 72352147 YWQKMYVJPHWVOA-UHFFFAOYSA-N 447.539 2.536 0 40 IFAB O=C(NCCc1nnc(-c2ccccc2)o1)C1CCN(C(=O)COc2ccccc2)CC1 78976170 LRUSTHWHOFPYDD-UHFFFAOYSA-N 434.496 2.713 0 40 IFAB CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1nc(C)c(Br)s1 84765603 MLHQZIQLKMFCIY-UHFFFAOYSA-N 448.364 2.872 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)O)c2cccs2)ccc1OC 95348433 UNZFYVVWOVZROE-AWEZNQCLSA-N 440.543 2.733 0 40 IFAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccc5F)CC4)c3CO2)cc1 97943630 MBTAAEZWJRXRME-OAQYLSRUSA-N 449.486 2.595 0 40 IFAB O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H]1C=C[C@@H]2[C@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]12 100088226 KSOCXRSCFJVURG-RMAYXJBTSA-N 436.552 2.916 0 40 IFAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(OC)c(OC)c2)C3)c(OC)n1 100149472 PAVYROQWYMCUTF-IAGOWNOFSA-N 429.517 2.631 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(Cl)cc12 208171778 KHMHKCOWJSAGRF-LSDHHAIUSA-N 440.883 2.941 0 40 IFAB CCOc1ccc(CNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1OCC 219440863 XHCDMVRBKOUYFN-UHFFFAOYSA-N 446.525 2.725 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 224161633 ODTJAHSLHMGYAN-UHFFFAOYSA-N 438.933 2.626 0 40 IFAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 224422565 GHXKBNZTVYIWJQ-UHFFFAOYSA-N 430.526 2.952 0 40 IFAB COc1ccc(OC)c(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 224718533 QRVLVQGBVFGHTN-UHFFFAOYSA-N 438.521 2.748 0 40 IFAB Cc1c(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cnn1C 257244099 IJVNXLOVLOTDCD-HXUWFJFHSA-N 429.908 2.940 0 40 IFAB Cc1nccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 257256640 KMIDRLVSJNGKCC-OAQYLSRUSA-N 445.470 2.805 0 40 IFAB CCn1nc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)cc1C 257262741 LMQVPAWJXFHTMU-VDKIKQQVSA-N 440.588 2.515 0 40 IFAB O=c1c2c(nc3n1CC1(CCN(Cc4ccoc4)CC1)C3)CCN(Cc1cccnc1)C2 306124449 BPTHYIWCEBIPIC-UHFFFAOYSA-N 431.540 2.628 0 40 IFAB O=C(NCc1cccc(Cl)c1)c1cn2c(nc1=O)C1(CCN(C(=O)C3CC3)CC1)CC2 306135893 PDYULFAOLHENMK-UHFFFAOYSA-N 440.931 2.501 0 40 IFAB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 408652193 FSOLSFPJQUGTKZ-INIZCTEOSA-N 443.887 2.632 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704691 RNGWHWQJEOXIJP-DLBZAZTESA-N 432.542 2.750 0 40 IFAB C[C@]1(c2cccc(C(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)c2)NC(=O)NC1=O 543927354 LYASGRLWKGTVHB-DYESRHJHSA-N 447.413 2.974 0 40 IFAB CC(=O)N1CCCN(C(C)C)CCN(C(=O)CCCn2cncn2)Cc2ccc(F)cc21 643558009 FWTWUPJJVXLASN-UHFFFAOYSA-N 444.555 2.693 0 40 IFAB COc1ccc(C(=O)NC(=S)Nc2cccc(CO)c2)cc1I 675685 LDCYMUXLHQTJFA-UHFFFAOYSA-N 442.278 2.919 0 40 IFAB COc1cc(C(=O)OCC(=O)NCCc2ccc(F)cc2)cc(Br)c1O 2725912 OGAYWKJITGMGMQ-UHFFFAOYSA-N 426.238 2.818 0 40 IFAB CCc1cc2c(COC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cc(=O)oc2cc1O 3422055 WCHJBJJYGMIVFJ-UHFFFAOYSA-N 445.493 2.733 0 40 IFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9245873 IEJFZGCZQRILEX-NRFANRHFSA-N 431.395 2.532 0 40 IFAB CC(=O)[C@H](Cc1cccc2ccccc12)C(=O)NC(=N)N1CCN(C(=O)c2ccco2)CC1 9926586 AXHLVHUROCDFJT-NRFANRHFSA-N 446.507 2.689 0 40 IFAB COc1cccc(CNC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1 12233259 NQYROJNYMSRJAK-KRWDZBQOSA-N 447.520 2.944 0 40 IFAB CCN(CC)C(=O)c1ccc(OCC(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 12411577 BXBZKHIUTDYDMN-UHFFFAOYSA-N 425.485 2.629 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 12554657 ARPBDWRZCMGMCH-UHFFFAOYSA-N 426.542 2.658 0 40 IFAB Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 12566182 WNECYUPJCUFSHF-UHFFFAOYSA-N 434.558 2.943 0 40 IFAB O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 12572972 BWCMVXZJJJGJCR-UHFFFAOYSA-N 426.494 2.878 0 40 IFAB COc1ccc(/C=C/C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)cc1 12780483 GOEUNOOEYPGXIV-VWMRQFFHSA-N 426.513 2.915 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1OC 12912615 QANZSXGZWGKIHT-INIZCTEOSA-N 438.571 2.791 0 40 IFAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)COc2ccccc21 12975719 MRMAAZSVQYEHRJ-UHFFFAOYSA-N 435.402 2.918 0 40 IFAB COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)C)c1ccc(F)cc1 13501371 SODWHWKEKSBIGW-QFIPXVFZSA-N 444.507 2.680 0 40 IFAB O=C(c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1)N1CCC[C@H]1CO 13692591 WRLLBUSXXNBQIF-AWEZNQCLSA-N 435.502 2.833 0 40 IFAB O=S(=O)(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc2c(c1)CCC2 14208220 UEWUPGUXQRYHDB-UHFFFAOYSA-N 434.583 2.828 0 40 IFAB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(S(C)(=O)=O)cc3)n2)cc1F 15674355 UCRYTUYSIFCECQ-APWZRJJASA-N 431.489 2.896 0 40 IFAB biogenic,in-vitro Cc1ccc2nc3c(cc2c1)CCN3C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15841867 SBAWTEXTRJLVCS-UHFFFAOYSA-N 437.521 2.767 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)NCc1cccc(C(F)(F)F)c1 16030477 SIYAFSFQNAMZQK-DLBZAZTESA-N 447.457 2.909 0 40 IFAB biogenic Cc1ccc([C@@H](CN2CCOCC2)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 16829222 UBVAQVXZGGMFFM-HXUWFJFHSA-N 449.473 2.933 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O 16973372 ICCMDLIYLWIFMI-NRFANRHFSA-N 446.507 2.882 0 40 IFAB biogenic O=C(NCCOc1ccc(Cl)cc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 18151145 OEROFECOHRARRO-UHFFFAOYSA-N 437.930 2.760 0 40 IFAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCCO3)C1 19020857 OMIWOEQSZGZDNP-DYESRHJHSA-N 429.542 2.963 0 40 IFAB O=C(Oc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 19211194 ZLLQABSXJHIBCF-UHFFFAOYSA-N 428.510 2.820 0 40 IFAB O=C(NCCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1)c1ccc(F)cc1 19695954 WMEXWMNSJLBWAK-UHFFFAOYSA-N 449.486 2.677 0 40 IFAB CNc1cc(CN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)nc([C@H]2CCCN2)n1 19760042 QOYSONWHLHIRPT-OAHLLOKOSA-N 429.468 2.782 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCc1ccc(F)cc1 19935556 HTHOLPXPDKAJEP-UHFFFAOYSA-N 426.897 2.959 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1 20245822 YHIQVTKMPJVSFF-UHFFFAOYSA-N 425.894 2.622 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2C[C@@H]1C 20449191 RQHNNXXWERRGHE-SFHVURJKSA-N 427.570 2.745 0 40 IFAB Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O 20453987 VCWFHCUEXPYHEG-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccc(Cl)cc1 21944437 YGHYRIXKSIUNKO-CQSZACIVSA-N 437.901 2.789 0 40 IFAB NC(=O)c1cc([C@@H](O)CNC[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1 22589451 MUDKZNGUXRBVIH-CTNGQTDRSA-N 434.492 2.828 0 40 IFAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC([C@H](O)c2ccccc2)CC1 23385215 PZFGTYBMYTWYIS-XMMPIXPASA-N 433.508 2.908 0 40 IFAB CN(C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 24880219 OMNICZKCIXGDNU-DFBJGRDBSA-N 449.507 2.804 0 40 IFAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 25162524 LRFIXQKBCKBMST-IQUTYRLHSA-N 433.530 2.707 0 40 IFAB Cc1ccc(/C(NCCc2cnc[nH]2)=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 25180445 DWDPRHAFYRDVLA-QZQOTICOSA-N 429.480 2.853 0 40 IFAB CC[C@@H](NC(=O)CNC(=O)CNC(=O)c1cccs1)c1ccc(Br)cc1 32748023 HYWKYIZZXSAFBC-CQSZACIVSA-N 438.347 2.624 0 40 IFAB CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 32928070 OPCBBXUSYQBZIS-CQSZACIVSA-N 439.559 2.701 0 40 IFAB CSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 34721484 WDIDDTBCZSLKGB-LFIBNONCSA-N 431.583 2.965 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 35351356 ONQQOQNKAFBQKL-OALUTQOASA-N 434.521 2.931 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CN3CCC[C@H]3c3cccs3)CC2)cc1 35361552 CXRMBOXVDCGMIY-FQEVSTJZSA-N 426.586 2.976 0 40 IFAB CC(C)(CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccc2c(c1)OCO2 58554457 CNIPZVPTABIACK-UHFFFAOYSA-N 425.528 2.612 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)NCc1ccc(F)cc1Cl 72325861 BGWCDBPHBDIOPC-QFIPXVFZSA-N 444.894 2.660 0 40 IFAB CN(C)CCCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 78355155 RRBRHBJGWXERAA-NRFANRHFSA-N 449.617 2.786 0 40 IFAB O=C1N[C@H](c2cccc(Br)c2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 102136305 PIAWJZCYXTZLCX-WOSRLPQWSA-N 444.207 2.948 0 40 IFAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1 219973400 BRSGERMLCFOISD-JOCHJYFZSA-N 427.570 2.571 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225223623 RQNREUZFJTXWSE-IBGZPJMESA-N 445.585 2.541 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1 225747667 YOWJFRCNIFNRMS-KRWDZBQOSA-N 447.626 2.987 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)C1 225779944 JLLDTHROQLDGFU-CQSZACIVSA-N 446.935 2.880 0 40 IFAB COc1cccc(OC)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226081709 WUUDHRFRZAWJSF-OAHLLOKOSA-N 436.505 2.560 0 40 IFAB Cc1ccccc1-c1cccc(C[C@@H]2C(=O)N(C)CCN2C(=O)Cc2nnc(N)s2)c1 257336298 YNUYQDBTXSILOL-LJQANCHMSA-N 435.553 2.550 0 40 IFAB COc1ncccc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccccc1)C2=O 306130716 JNPHDWDPXPAZBL-OZXSUGGESA-N 444.535 2.882 0 40 IFAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 408549598 VLOWYFYLYDOKFM-CXUHLZMHSA-N 430.844 2.993 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 408597642 ZTOMOUGNTXBPSQ-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408666024 SAGOKZYJRUTVKU-KHDMTIDOSA-N 426.513 2.786 0 40 IFAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1OCC(=O)O 408987282 VXWOLONSMUBMHJ-IBGZPJMESA-N 427.482 2.590 0 40 IFAB CCC[C@H](C)NC(=O)Cn1c(=O)/c(=C\c2ccc(C)s2)s/c1=C/C(=O)C(C)(C)C 585145794 FCTPWPAFCTXGSW-AGPDQXQGSA-N 434.627 2.809 0 40 IFAB CC(=O)N1CCC(CC(=O)NCCc2ccc(F)cc2)(N2Cc3ccccc3C2=O)CC1 1548348935 WCUKICAAAYIYCQ-UHFFFAOYSA-N 437.515 2.912 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CN(C(=O)c1cccnc1)C2 1549167314 NQZQXUQSAWRMQZ-NRFANRHFSA-N 432.524 2.547 0 40 IFAB Cc1oc2cc(OCC(=O)NCC(=O)O)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 2099777 AQAMBIJONMEPPJ-UHFFFAOYSA-N 439.420 2.509 0 40 IFAB biogenic CCOc1ccc(/C=c2/sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC 2703433 UXYXLAAOJCIWQN-YBFXNURJSA-N 439.493 2.790 0 40 IFAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1 3301351 WPNPDIJYUIMXJE-HNNXBMFYSA-N 440.452 2.873 0 40 IFAB CCOC(=O)N1CCN(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)OC3)CC1 6764582 FNCLLQFLLZHEIQ-UHFFFAOYSA-N 425.507 2.692 0 40 IFAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)C4CCCCC4)ccc(=O)n2C3)CC1 8300416 RVMGCHBRIKTQMZ-AZUAARDMSA-N 440.588 2.797 0 40 IFAB biogenic,in-vitro O=C(O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O 8791298 CMARCKXACUALQV-NRFANRHFSA-N 442.471 2.830 0 40 IFAB biogenic C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@H](C)O1 8868043 VHROSZQMKWDODV-GJZGRUSLSA-N 442.493 2.843 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cc1C 9192565 GTVMKWYRHZEYKO-UHFFFAOYSA-N 439.537 2.906 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)ccc21 9577883 ICMBXVOGFFRFCQ-UHFFFAOYSA-N 444.495 2.947 0 40 IFAB C[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 9913478 LFFHNCGRGHIJDZ-MRXNPFEDSA-N 437.521 2.608 0 40 IFAB CCn1cc([C@H]2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130151 ZWKNXPUYKVVKMZ-HZPDHXFCSA-N 446.360 2.737 0 40 IFAB O=C(c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCN(c2cccc(Cl)c2)CC1 12229822 WIYXUFGLFQHOJD-SFHVURJKSA-N 448.976 2.736 0 40 IFAB Cc1nn(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2Cc2ccc(F)cc2)c(C)c1C 12232073 VUPFWMVHRGDGHA-UHFFFAOYSA-N 438.507 2.851 0 40 IFAB CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3cccs3)no2)cc1OCC 12412123 NGQDSILDPNNYLA-UHFFFAOYSA-N 430.486 2.755 0 40 IFAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C)c1ccccc1 12596214 XTACLJZZCFJUHO-UHFFFAOYSA-N 447.557 2.570 0 40 IFAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C 12696502 LWZJUWCHDLHKRH-WIYYLYMNSA-N 448.585 2.919 0 40 IFAB Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 12761160 ABFMUDGSABRZFA-UHFFFAOYSA-N 436.556 2.515 0 40 IFAB O=C(CCSCCC(=O)NC(=O)NCc1ccccc1)NC(=O)NCc1ccccc1 12820409 QTECEKUOULCAIZ-UHFFFAOYSA-N 442.541 2.552 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCSc2ccccc21 12977136 IHTYPBTXJYSDDY-GOSISDBHSA-N 448.566 2.683 0 40 IFAB CN(C)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 13039093 AGJKCXMQGHPOQQ-UHFFFAOYSA-N 435.274 2.712 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCCCCC1 13675617 YOWZHCIBKLNKPQ-UHFFFAOYSA-N 437.606 2.866 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)cc1 13992361 BVMSZZWYVBMYQJ-UHFFFAOYSA-N 447.466 2.676 0 40 IFAB COc1ccc2cc(CN(C)C(=O)CSc3nnnn3C[C@H]3CCCO3)ccc2c1 14129396 GUZTTYZGTHGVCZ-LJQANCHMSA-N 427.530 2.765 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 14169997 PFPDPFBDGFQVRX-UHFFFAOYSA-N 439.921 2.896 0 40 IFAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 14361249 GYFBQTJQGAUHEK-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 14361526 SQVUBPFFMKQLSV-HBRISMIWSA-N 442.556 2.834 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nn2c(C)nc3ccccc3c2=O)ccc1Cl 15993875 XKEXXWRNLJYSAM-UHFFFAOYSA-N 448.932 2.773 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(NC(C)=O)cc1 16321200 FSWMNCPALZRJCX-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)cc1C 17010334 ZMQRJFDLNDTOCL-UHFFFAOYSA-N 445.589 2.522 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400047 OGDZPYCOOXQPPH-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB CN(C)c1cc(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)nc(-c2cnccn2)n1 19584745 BSHGBCHCZZCOFP-UHFFFAOYSA-N 428.447 2.611 0 40 IFAB COc1cccc([C@H]2CCCN2C(=O)Cn2cccc(C(=O)Nc3nccs3)c2=O)c1 19750583 ROMMJVLRMIRWDY-GOSISDBHSA-N 438.509 2.929 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 20044640 MDKFHWUPFVMMCG-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 22227727 NBHJLWQYUKIYCD-UHFFFAOYSA-N 430.979 2.892 0 40 IFAB COCCCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232035 UOXJDMICQGCSNJ-UHFFFAOYSA-N 440.949 2.838 0 40 IFAB CCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 22390279 MHFNXCPJJRFJMG-UHFFFAOYSA-N 433.530 2.628 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cccn(C)c1=O 23136228 CDLCTJJSPAYQPF-UHFFFAOYSA-N 439.419 2.810 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 23685120 VEPVWMPUJNXJST-KBXCAEBGSA-N 440.363 2.608 0 40 IFAB COC(=O)c1ccoc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 24037413 HVGFLEXIBXSNLB-INIZCTEOSA-N 429.878 2.766 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](C)C2)C(C)C)c1 25967669 VTRPDXVYQMOJKY-XLIONFOSSA-N 437.606 2.730 0 40 IFAB CN(CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 32475673 VISLAHZUTJGNAF-UHFFFAOYSA-N 429.586 2.871 0 40 IFAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCCCOC(C)C 33660712 VQDXYYRMLULGJX-UHFFFAOYSA-N 426.579 2.916 0 40 IFAB Nc1nc(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2sc3c(c12)CCCCC3 36392899 VHZIBSNXXWGXQJ-UHFFFAOYSA-N 429.571 2.753 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)cnc32)cc1 40478028 MRQPDHCMSWWPMC-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 44904672 LBOCQEZAMQFTGK-MSOLQXFVSA-N 427.636 2.920 0 40 IFAB COc1cc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc(OC)c1Br 60344653 OOKLPWBOPNMFIH-UHFFFAOYSA-N 445.354 2.812 0 40 IFAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 61720356 QUILDPUBDKSIRP-CQSZACIVSA-N 440.406 2.772 0 40 IFAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1nccs1 72191880 HKHLTDIKZGJUFA-VOTSOKGWSA-N 448.961 2.985 0 40 IFAB COc1cc(CN2CCC[C@H]2c2ccc(Nc3cnccn3)cn2)ccc1OCC(N)=O 72353187 NQDWIWCACCAOIK-IBGZPJMESA-N 434.500 2.825 0 40 IFAB CCN(CC)C(=O)N1CCN(Cc2c([C@H]3CCCN(C(C)=O)C3)[nH]c3ncccc23)CC1 72395281 WOHBOMOASPMJJL-IBGZPJMESA-N 440.592 2.868 0 40 IFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)c2c(c1OC)OCO2 85413070 KOGGJXCOXPDSQM-KUHUBIRLSA-N 426.377 2.605 0 40 IFAB O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccc2c(c1)OCCO2 89807671 HFAMNQYZBHAPSZ-UHFFFAOYSA-N 428.260 2.792 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)N1CC(Oc2nc3c(OC)cccc3s2)C1 90594427 POPHCNKBPQXHLH-UHFFFAOYSA-N 440.524 2.605 0 40 IFAB COc1ccc2[nH]c(=O)c([C@@H]3SCC(=O)Nc4c3c(O)nn4C3CCOCC3)cc2c1 96118094 GVGHGSHMCIZLLA-SFHVURJKSA-N 442.497 2.565 0 40 IFAB CC[C@@](CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)(OC)c1ccccc1 96123814 CYCUBIXGRQFTLW-VWLOTQADSA-N 435.524 2.919 0 40 IFAB COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1)OC 96385270 BIQVXIZYTJBCOC-HXUWFJFHSA-N 425.485 2.573 0 40 IFAB O=C1C[C@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccc(Br)cc1 102835440 YELOASIDZOMSTC-KRWDZBQOSA-N 434.359 2.960 0 40 IFAB CN1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCOCC3)cn2)CC1 224013458 AZZHFMNQIBEXDY-UHFFFAOYSA-N 425.602 2.868 0 40 IFAB COc1ccc(N(CCCC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 225012748 FJKILQVBAZPTFA-UHFFFAOYSA-N 447.557 2.717 0 40 IFAB O=C(CN1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1)NCCc1nc2ccccc2[nH]1 257293561 QQCIURDTEPTNBL-HXUWFJFHSA-N 447.518 2.907 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 257321015 VZRUACYVXXHTHK-IBGZPJMESA-N 445.907 2.909 0 40 IFAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c(OC)c1 260930975 LRZBPQAZNBFLDJ-OAHLLOKOSA-N 432.542 2.836 0 40 IFAB O=C(NCCCn1ccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408597769 YBEYANUYNFGPKZ-HXUWFJFHSA-N 426.542 2.644 0 40 IFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)c12 578921964 HGPPYJKDZGPVBC-VOIUYBSRSA-N 446.511 2.537 0 40 IFAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]23)n1 1549161165 DZANRYRURVJAEJ-QGZVFWFLSA-N 433.434 2.699 0 40 IFAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)NCC(=O)O)ccc21 2037940758 CMYXMYPLRXJTBN-UHFFFAOYSA-N 445.560 2.799 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)cc1 687553 SXRYOXYSRIWHMQ-UHFFFAOYSA-N 439.497 2.513 0 40 IFAB O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)N1CCN(c2ccccc2)CC1 2720465 VRAKGYYBMJXSHO-UHFFFAOYSA-N 438.509 2.949 0 40 IFAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 2794297 JRSPQTSJDIXBGU-UHFFFAOYSA-N 435.316 2.990 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2cnc3ccccc3n2)c1 3389784 PDMWXKRHYCUUNX-RMKNXTFCSA-N 445.884 2.882 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1C 3480211 KBRCIJLQBXKCHH-UHFFFAOYSA-N 445.585 2.997 0 40 IFAB CCN(CC)CCCNC(=S)N(CCN(C)C)Cc1cc2cccc(C)c2[nH]c1=O 4133481 GMXOETPBEOHVLT-UHFFFAOYSA-N 431.650 2.807 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)c3c(C)nc4scc(C)n4c3=O)C[C@@H]2C)c1 8594586 WKHRSFUPVKXEPM-AWEZNQCLSA-N 432.571 2.581 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8882552 XWMIJHYIPRLZDM-UHFFFAOYSA-N 438.553 2.777 0 40 IFAB COc1cccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1 9124617 JAYPVRCNTGMEJG-UHFFFAOYSA-N 431.496 2.690 0 40 IFAB COc1ccc(CCNC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1OC 9321146 CWJPPWIKKKQHOS-UHFFFAOYSA-N 446.507 2.848 0 40 IFAB Cc1cccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 9506897 ZBCPIYPZNKSMKT-GFCCVEGCSA-N 442.570 2.987 0 40 IFAB Cc1ccc(NC(=O)Cc2nc(CN3C(=O)c4ccccc4S3(=O)=O)cs2)cc1 9642402 DFWWYNKMFFVIOI-UHFFFAOYSA-N 427.507 2.977 0 40 IFAB CCc1ccc(NC(SCC(=O)N(CC)CC)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974046 HDMOKGAWKQWREW-UHFFFAOYSA-N 432.546 2.525 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccccc1Cc1ccccc1)C2=O 11399169 UVBYPYONUDVVJV-UHFFFAOYSA-N 449.507 2.966 0 40 IFAB Cn1cc(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 11666162 JCSJGPZTOSDXJB-UHFFFAOYSA-N 447.539 2.541 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)c1 11795887 JMTLJANYTWLPDN-HNNXBMFYSA-N 435.527 2.920 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CCS[C@H]2CCc3ccccc3N=C2O)cc1 11865956 RRPNCACVLBBXFM-IBGZPJMESA-N 447.582 2.719 0 40 IFAB COc1ccc2c(=O)c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)c(C)oc2c1 12442386 GGBVWNQAPIZUNX-UHFFFAOYSA-N 438.480 2.964 0 40 IFAB biogenic Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1C 12780453 VAWDYLJBXXYSMK-UHFFFAOYSA-N 430.526 2.611 0 40 IFAB COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(C(F)(F)F)cc1 12954209 HYZQKOPZZJONRX-CQSZACIVSA-N 425.359 2.851 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 12981893 KNXYHSYCDIEOKZ-OAQYLSRUSA-N 430.844 2.850 0 40 IFAB CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1OCC 12997263 WGGPQHOCBDOYKO-LBPRGKRZSA-N 438.365 2.517 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 13532959 LUBVZJGOEFCUDO-UHFFFAOYSA-N 441.465 2.522 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1C 13649631 POCGIDIUTNLERX-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB CN(CC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccc(Cl)s1 14196931 MHAZZSSLIPGUBJ-UHFFFAOYSA-N 427.935 2.788 0 40 IFAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14197455 TUGRZYGRCBWLTR-JOCHJYFZSA-N 440.887 2.873 0 40 IFAB CC(C)(Oc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1 14570309 XOSIQXQUOHFLGX-UHFFFAOYSA-N 430.476 2.997 0 40 IFAB O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 19344923 CMDVQDJYNMOPGG-MRXNPFEDSA-N 425.514 2.797 0 40 IFAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694129 DWBZJHWPSWQUJL-HNNXBMFYSA-N 444.536 2.651 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4c[nH]nc4C)nc32)c1 19698674 HFQGOTPHWHMMSX-UHFFFAOYSA-N 434.500 2.577 0 40 IFAB O=C(NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccccc1 19831491 DXFHQKHGCXUPNF-UHFFFAOYSA-N 449.382 2.544 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1 19857851 OOIILCUJLZWAGJ-GOSISDBHSA-N 430.526 2.962 0 40 IFAB O=C1CN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c2ccccc2N1 19868112 YVHOKJZOZHCWKS-UHFFFAOYSA-N 447.944 2.867 0 40 IFAB Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c2cc1C 20079966 SMDGLGYRAGGEPE-QFIPXVFZSA-N 448.502 2.740 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 20106564 XEBKKIYKAZIVJT-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB COc1ccccc1NC(=O)Cc1nc(COC(=O)CNC(=O)c2ccccc2)cs1 22109683 GBSNBZLILSIUIJ-UHFFFAOYSA-N 439.493 2.806 0 40 IFAB CS(=O)(=O)Nc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 22384358 SQRCWCUGNKLLCS-UHFFFAOYSA-N 434.495 2.877 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)cc1 23846086 MVHXSRXMSQSLJL-UHFFFAOYSA-N 445.585 2.661 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)s1 25778282 NZAFDRDNDBEYJF-UHFFFAOYSA-N 447.582 2.720 0 40 IFAB O=C(NC[C@@H]1CCCO1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 26113580 PTJJUCJNPWPYFF-KXBFYZLASA-N 436.917 2.592 0 40 IFAB Cc1nc(C2CC2)nc2sc(C(=O)NCc3cccc(NS(N)(=O)=O)c3)c(C)c12 32754078 GRSPSCFMOBTGQV-UHFFFAOYSA-N 431.543 2.731 0 40 IFAB Cc1ccn2c(=O)cc(COc3ccc(CCO)cc3-n3nc4ccccc4n3)nc2c1 32765003 UOININGASQOKMG-UHFFFAOYSA-N 427.464 2.851 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 36589769 BNRCGFXRASFFRO-XMSQKQJNSA-N 448.479 2.580 0 40 IFAB biogenic CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1Cl 40151957 ZEVMFLFXVIYUHF-QKVFXAPYSA-N 434.924 2.775 0 40 IFAB COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 58091034 KWRUZXOAEZMJFA-FXAWDEMLSA-N 433.549 2.875 0 40 IFAB COc1cc(C(=O)N2CCN(c3nc(C)ns3)CC2)cc(OC)c1Br 72298025 ZOXQVFKUNRUGBV-UHFFFAOYSA-N 427.324 2.589 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC(c3nc4ccccc4s3)C2)cc1 84809367 ZOMCDUQMVFXKMW-UHFFFAOYSA-N 445.566 2.989 0 40 IFAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)NCCc2cscn2)N1Cc1ccccc1 95939833 SQPZMLQZHKLEPC-DEOSSOPVSA-N 446.532 2.981 0 40 IFAB COc1cccc(NC(=O)N2CC[C@]3(C2)CN(c2ccsc2)C(=O)CN3C(C)=O)c1 96050487 XQMLQLGNLILXEC-NRFANRHFSA-N 428.514 2.628 0 40 IFAB CS(=O)(=O)[C@](Br)(I)[C@@H](O)c1cccc(Cl)c1 96520956 SKKXVTONIKCXNV-DTWKUNHWSA-N 439.496 2.902 0 40 IFAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 100563788 AXBPVHAAXATKIW-SJLPKXTDSA-N 427.844 2.646 0 40 IFAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)[C@@H]2C(=O)O 102639533 MGSFTDAWOKSRAH-LBTBCDHLSA-N 426.473 2.575 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220227649 SFTWIMVONQBZPY-CYBMUJFWSA-N 438.502 2.514 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220240989 FCPKDHMUQGELJA-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB COc1cccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 223591688 ZYXAMKNIEXGCPN-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB O=C(COc1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224416580 RSBQOJWSPWMYBD-UHFFFAOYSA-N 436.505 2.574 0 40 IFAB COc1ccc(N(CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 224515834 GDSGZFOHWJMMAX-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB CSc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1NC(C)=O 224803482 AHCPRBFLGAXQLF-UHFFFAOYSA-N 446.554 2.966 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1OC 225442054 PAZFCBLOUYXUOR-CQSZACIVSA-N 435.318 3.000 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 225565210 OIUVDJWGELEKRK-UHFFFAOYSA-N 448.442 2.718 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H]1c1ccsc1 245225633 ZTJMUDXYRNBCGF-JXFKEZNVSA-N 449.598 2.933 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1=O 245284444 RVKCMPYSZJYMFU-XNIJUTNWSA-N 428.529 2.921 0 40 IFAB Cc1ncc(-c2nc(-c3ccsc3)no2)c(NCCc2ccc(S(N)(=O)=O)cc2)n1 252501068 UCBSUOIAUWEYQZ-UHFFFAOYSA-N 442.526 2.866 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 257209515 BQSTZIHIXHEJLX-DEOSSOPVSA-N 448.479 2.605 0 40 IFAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1 408561836 VUTFSYGOEBGWRR-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB COc1ccc([S@](=O)(O)=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 409416058 LPYCEBHKRRYYHY-UHFFFAOYSA-N 426.516 2.656 0 40 IFAB Cc1cc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)oc1C 585106545 ANJOBRDWWIFSQF-DEOSSOPVSA-N 433.512 2.732 0 40 IFAB Cc1c(NCC(C)(C)[C@@]2(O)CCCOC2)ncnc1NCC(C)(C)[C@@]1(O)CCCOC1 630094472 ICONRFCJJXXWMS-DHIUTWEWSA-N 436.597 2.744 0 40 IFAB C[C@]1(c2cccc(-c3noc([C@@H]4CCCN4C(=O)c4ccccc4)n3)c2)NC(=O)NC1=O 685286442 KCWWHADRIKEZKL-GAJHUEQPSA-N 431.452 2.769 0 40 IFAB Cn1cc(C(=O)N2CCC(COc3ncc(Br)cn3)CC2)c(C(F)F)n1 1775995607 BCUAKBOATZLJNP-UHFFFAOYSA-N 430.253 2.841 0 40 IFAB Cn1c(=O)c(Br)c(Br)c(=O)n1-c1ccc(Br)cc1 1567647 ZYGIZVLSFWKZOL-UHFFFAOYSA-N 438.901 2.824 0 40 IFAB COC(=O)c1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3314584 VZCYZBFZPAYJSR-UHFFFAOYSA-N 443.459 2.907 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C(F)(F)F)n2C)n1 3428790 SPVXQFACQWWWOF-UHFFFAOYSA-N 428.396 2.699 0 40 IFAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 9056660 ZRSOSHJILVYIKG-SSOJOUAXSA-N 445.475 2.563 0 40 IFAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2=O)cc1 9698684 LMFATCRPVKZAPJ-VQIMIIECSA-N 437.496 2.596 0 40 IFAB CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2cc(S(N)(=O)=O)ccc21 9951574 BPHYXUFUXYOVOO-CYBMUJFWSA-N 430.555 2.774 0 40 IFAB Cc1ccc2nc(COC(=O)[C@@H](C)SCC(=O)Nc3ccc(F)cc3)cc(=O)n2c1 9981990 RNABFRZYAVTFOY-CQSZACIVSA-N 429.473 2.946 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1ccccc1Br 10111178 FQUJRWXXMKRCLJ-UHFFFAOYSA-N 446.411 2.597 0 40 IFAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)c32)c(C)c1 12228704 BEDYDBSHMRWYHT-UHFFFAOYSA-N 445.479 2.553 0 40 IFAB O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 12557348 JHWZGROREKWGNB-UHFFFAOYSA-N 436.537 2.523 0 40 IFAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12808679 UUTPAKPWISDPIA-HNNXBMFYSA-N 438.908 2.563 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c(C)c1 12973232 DUFWEMWGHDTKPL-UHFFFAOYSA-N 430.505 2.999 0 40 IFAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(CC(=O)N2CCOCC2)s1 13109985 XGURXTUKHSVLRH-UHFFFAOYSA-N 432.571 2.928 0 40 IFAB O=C(Nc1ccc(Cn2cncn2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13693402 YSTRLQOAUHBKLP-UHFFFAOYSA-N 443.504 2.505 0 40 IFAB COc1cc(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc(OC)c1OC 15913100 HJCUFBZVAHKVCU-UHFFFAOYSA-N 442.921 2.797 0 40 IFAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15977043 SBIVPACXVIRJPA-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB O=S(=O)(c1cc(NC(=S)NCCc2ccccc2)ccc1Cl)N1CCOCC1 16217829 VGFPZUDJZHKOLS-UHFFFAOYSA-N 439.990 2.890 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCC1 16227629 KWJWUDZSWIWTDX-UHFFFAOYSA-N 447.532 2.581 0 40 IFAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C[C@H]1COc2ccccc2O1 16628650 VPEZAHJTIOATGH-HNNXBMFYSA-N 447.417 2.996 0 40 IFAB NC(=O)c1ccsc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 17170247 XIGVENMIBLXLNU-JTQLQIEISA-N 433.964 2.744 0 40 IFAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(Cc2cccs2)CC1 18147764 KFYKHKMGAYQJOH-UHFFFAOYSA-N 446.532 2.699 0 40 IFAB Cc1onc(-c2cccnc2)c1C(=O)NCCn1nc2c(C)cc3ccccc3n2c1=O 19127001 SIIYPMDZCXEVEM-UHFFFAOYSA-N 428.452 2.746 0 40 IFAB Cc1cn(CC(=O)N2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)nn1 19238764 NTFGAFANDPFAGE-UHFFFAOYSA-N 444.474 2.906 0 40 IFAB CC(C)C[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 19446880 AQGSRAFJSMWMQY-LJQANCHMSA-N 426.496 2.999 0 40 IFAB COc1cccc2c1OCC(C(=O)N1CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)=C2 19757758 UWDDPTMQZWWQQF-GOSISDBHSA-N 448.523 2.822 0 40 IFAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(O)c2)N1CCCN1CCOCC1 19861571 AXKVJTFILDQATN-NRFANRHFSA-N 438.455 2.905 0 40 IFAB C[C@@H]1Cc2cc(C(=O)N3CCN(C)CC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 20448691 DKWZRMPQJVJBEV-OAHLLOKOSA-N 433.961 2.868 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCC(=O)NCc1ccco1 20956872 PKPAJZKKZAFFNI-UHFFFAOYSA-N 445.472 2.574 0 40 IFAB COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1OC 21130040 YGHRQSLPUTXPQJ-UHFFFAOYSA-N 431.876 2.853 0 40 IFAB O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 22470590 ZZYRYQBPGBWGTM-UHFFFAOYSA-N 426.476 2.601 0 40 IFAB Cc1noc(C)c1CN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 22968114 LIXWNEWAVSZGBR-UHFFFAOYSA-N 432.488 2.574 0 40 IFAB O=c1cc(CN2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)nc2sccn12 23249130 DWEPDMCRDWETJJ-UHFFFAOYSA-N 446.960 2.889 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 23681102 QXDGBTLUKVWMQR-FXAWDEMLSA-N 437.587 2.562 0 40 IFAB Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3cccs3)N3CCOCC3)c(C)n2n1 23745234 RFRYSMDAAKRPKE-IBGZPJMESA-N 427.574 2.838 0 40 IFAB COc1cc(OC)cc([C@H](NC(=O)CCNC(=O)Nc2ccccc2)c2nccn2C)c1 24022379 WUQSSHLMBSZXKS-NRFANRHFSA-N 437.500 2.855 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 24611166 AEPLJZQEGYARTI-UHFFFAOYSA-N 441.597 2.886 0 40 IFAB CN(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 24915380 AVOFHWADZOJHQL-UHFFFAOYSA-N 437.521 2.876 0 40 IFAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36107564 CUYLCQSGTRDVDH-HNNXBMFYSA-N 437.949 2.682 0 40 IFAB CCOC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)ccc1Cl 38752086 GVIGBFUNRIRBJW-UHFFFAOYSA-N 439.921 2.768 0 40 IFAB NC(=O)c1c(SCC(=O)Nc2ccc(Cl)cc2F)sc2c(O)cc(=O)[nH]c12 40283424 NUYWWBQGLFEGHV-UHFFFAOYSA-N 427.866 2.917 0 40 IFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c12 71285197 NRBITPYITALCFP-UHFFFAOYSA-N 435.509 2.521 0 40 IFAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)C1CCCCC1 72344773 MIKNSHOXMUHYED-GOSISDBHSA-N 443.592 2.923 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4snnc4C)C3)c2)cn1 72353665 GFLOBJUKAXSBTG-MRXNPFEDSA-N 436.541 2.991 0 40 IFAB O=C1CCCN1CCOCC(=O)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 72375546 BPXAVNTZHQPQLA-GOSISDBHSA-N 427.480 2.662 0 40 IFAB CN(C(=O)c1ccc(=O)n(-c2ccccc2F)n1)C1CCN(C(=O)OC(C)(C)C)CC1 95451648 IWWKFSYTERYNEM-UHFFFAOYSA-N 430.480 2.843 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 97996356 SDNNIISDHUTJHN-SFQUDFHCSA-N 443.912 2.923 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc3c(c2)CCCC3)sc2cc(S(N)(=O)=O)ccc21 100872991 KWWQNKJLNALWMH-LNVKXUELSA-N 445.566 2.617 0 40 IFAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C 101324476 DLVRMGDDERHUET-QRWLVFNGSA-N 440.587 2.672 0 40 IFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)s1 222665082 DVUNZRRCAUCPFW-UHFFFAOYSA-N 442.573 2.831 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O 223517940 CZDGYSRERSQXFT-SFHVURJKSA-N 445.585 2.568 0 40 IFAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc(C(=O)OC)c1 223833607 MVZNTRLCVMWLED-UHFFFAOYSA-N 441.845 2.501 0 40 IFAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244129 DKUQAMPJCKFPMV-IBGZPJMESA-N 440.949 2.943 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccn3)cc2)cc1 224438980 UJFYIFHKNMLBCI-UHFFFAOYSA-N 425.510 2.841 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCc3ccccc32)cc1 225213670 BTXXCSKINPAGGC-UHFFFAOYSA-N 433.599 2.598 0 40 IFAB CC(C)Oc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(F)cc3F)CC2)cn1 225928166 FKGDVIOLCJMOQP-UHFFFAOYSA-N 425.457 2.738 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)cc2)cc1 226046859 HRGKNWMGFNULGN-UHFFFAOYSA-N 448.541 2.840 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)c2ccccc2F)CC[C@@H]1Oc1ccc(Cl)cc1 257267402 MHDPDBOMVVMMFN-GUYCJALGSA-N 426.897 2.813 0 40 IFAB CCn1cnc2cc(C(=O)N3CCC[C@H](CC(=O)NCCn4nc(C)cc4C)C3)ccc21 257273759 NIBVAQYAMPYWFG-LJQANCHMSA-N 436.560 2.928 0 40 IFAB Cc1nccn1CCC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 257336604 YPEMJICHJVQSCN-FQEVSTJZSA-N 434.544 2.983 0 40 IFAB O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc2c(c1)OCC(=O)N2 615005145 NXVPMBQMGZHFQU-UHFFFAOYSA-N 433.262 2.930 0 40 IFAB C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1ncc(-c2ccccc2)o1 1629645275 VQQJZNRACJFURO-CVAIRZPRSA-N 437.471 2.862 0 40 IFAB O=C(c1cnn(-c2ccccc2)n1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888909700 LFRCMGFPMJINTI-HUUCEWRRSA-N 428.418 2.890 0 40 IFAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2NCc2cccnc2)[nH]1 2332241928 KFPAPOVIDJDXBZ-KKSHJYNMSA-N 433.556 2.867 0 40 IFAB O=C(Nc1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1516587 QQTKWXQKKUKLFQ-UHFFFAOYSA-N 425.304 2.722 0 40 IFAB COc1ccc(Cn2c(SCC(=O)NC[C@H]3CCCO3)nc3ccsc3c2=O)cc1 2908685 LNCHKUUGKXGKQC-MRXNPFEDSA-N 445.566 2.902 0 40 IFAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O 8439142 JMPUXIXCJJPWMS-WOJGMQOQSA-N 436.493 2.860 0 40 IFAB Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)n1 8728596 QGUHXSUTNVTGTM-UHFFFAOYSA-N 438.509 2.824 0 40 IFAB O=C1N[C@H](c2cccc(Br)c2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 9090295 PIAWJZCYXTZLCX-ZENOOKHLSA-N 444.207 2.948 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc(=O)c3ccccc3o2)NC(=O)N[C@@H]1c1ccccc1 9492193 JXTUAJKZXVZAHI-OAQYLSRUSA-N 448.431 2.821 0 40 IFAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 9603252 NCLZQVSVHIRMIW-QGZVFWFLSA-N 433.464 2.502 0 40 IFAB C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9633131 GUZKGVPNCOUIPI-CYBMUJFWSA-N 441.509 2.878 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Br)s2)NC(=O)N1C1CC1 9723885 WQEPWGUUWLREJM-HNNXBMFYSA-N 426.336 2.872 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCCC2=O)cc1 9730336 GSJOQJXSWQDDRB-UHFFFAOYSA-N 427.526 2.846 0 40 IFAB COc1cccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCCC3)c1 9747872 XESNGIJQHRSXHP-UHFFFAOYSA-N 430.574 2.813 0 40 IFAB CC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974454 FRXSBVYASICGMV-OAHLLOKOSA-N 447.395 2.781 0 40 IFAB CN(C)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 10025207 PNDFZYAZNJWHEM-QFIPXVFZSA-N 425.554 2.879 0 40 IFAB Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 10030168 LZGCVCIORXPPOY-UHFFFAOYSA-N 448.595 2.625 0 40 IFAB NC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 10337532 FKUCLCPCXGIKBK-UHFFFAOYSA-N 427.935 2.540 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1S(=O)(=O)N(C)C 10545661 DSAXWMKJVQLOPD-MRXNPFEDSA-N 442.541 2.842 0 40 IFAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 10701707 JYNVKMAOHCHIRI-UHFFFAOYSA-N 449.511 2.691 0 40 IFAB C[C@@H](OC(=O)c1sccc1S(N)(=O)=O)C(=O)Nc1ccc(SC(F)F)cc1 10937339 XZZFFSFUZBRZJK-MRVPVSSYSA-N 436.483 2.894 0 40 IFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029728 ICPANZQJNLVBOC-AWEZNQCLSA-N 431.894 2.692 0 40 IFAB COc1ccc(CCN2CNc3c(c(=O)[nH]c(=O)n3-c3ccccc3Cl)C2)cc1OC 12371303 OOOUKJMMYXCTMJ-UHFFFAOYSA-N 442.903 2.624 0 40 IFAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(-n2cnnn2)c1 12687665 NFBRFDCRZPOJDI-UHFFFAOYSA-N 428.408 2.896 0 40 IFAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1(C)C 12696507 LWZJUWCHDLHKRH-GHTZIAJQSA-N 448.585 2.919 0 40 IFAB O=C(CCn1nnc(-c2ccc(Br)cc2)n1)NC(=O)NCc1ccccc1 12816403 SWXDPUFQLZHYGM-UHFFFAOYSA-N 429.278 2.519 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1OC 12861163 FAHXXYUPBGUDME-UHFFFAOYSA-N 445.541 2.870 0 40 IFAB CCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)s1 12878773 OTXBOLDTJQKFTQ-GFCCVEGCSA-N 444.966 2.854 0 40 IFAB COCCn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nnc1-c1ccccc1 12885295 QDDWPSKLZUIWIL-QGZVFWFLSA-N 440.525 2.640 0 40 IFAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 13010675 BWRDEPHLCNANPS-SFHVURJKSA-N 443.569 2.793 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CCC(C)CC3)C2=O)cc1OC 13041045 WHFUVUDMVHWHSH-UYRXBGFRSA-N 447.557 2.588 0 40 IFAB CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 13058175 TVFCXYQIFBFFMQ-UHFFFAOYSA-N 428.485 2.974 0 40 IFAB O=C(NCCc1ccc(OC(F)F)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13149816 TVFVKJXCSKJUGZ-HNNXBMFYSA-N 432.423 2.771 0 40 IFAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 16429149 YGGIEQNKUHNTAB-UHFFFAOYSA-N 425.713 2.551 0 40 IFAB O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc2nsnc12 19103412 FPOQULLTDPISCD-UHFFFAOYSA-N 438.509 2.996 0 40 IFAB CCCn1nnnc1COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 19605593 XJNBMCSKZUBPPS-UHFFFAOYSA-N 425.445 2.710 0 40 IFAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)CCCc1ccc(F)cc1)C2 19701423 WEVBSRAWZHZYSG-NRFANRHFSA-N 435.503 2.719 0 40 IFAB COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1cccn1 19764557 XLCFEHPPXPOIBV-IBGZPJMESA-N 434.500 2.505 0 40 IFAB COc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1 20528469 DOLFJTSGRJVHPU-UHFFFAOYSA-N 437.418 2.924 0 40 IFAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1OC 20718987 DBPSOTPWDVZAHJ-QGZVFWFLSA-N 436.464 2.840 0 40 IFAB Cc1cc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc23)N2CCN(C)CC2)ccc1F 20890334 DCGFDUWPUQYSST-JOCHJYFZSA-N 430.549 2.882 0 40 IFAB CCn1c(=O)n(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc21 22358682 FWSQHBUHBRKTTB-UHFFFAOYSA-N 447.461 2.976 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCSc2ccc(Cl)cc2)Oc2ccccc21 22516413 QWXLPZVCQFBMIF-KRWDZBQOSA-N 426.947 2.776 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2O1 23174908 XRZRJJKAHISQPI-ZNWBTVJYSA-N 439.556 2.639 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 26935091 FMCFXKKVYFCUHO-SFHVURJKSA-N 431.533 2.707 0 40 IFAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCC(O)CC3)cc2)c(OC)c1 32933227 QGOOKJXXKVEUQW-UHFFFAOYSA-N 434.514 2.538 0 40 IFAB CCOc1ccc(NC(=O)Cn2nc3c(Oc4cccc(OC)c4)nccn3c2=O)cc1 49008405 VREJOBAMKZXYAO-UHFFFAOYSA-N 435.440 2.729 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nnc(C2CCCCC2)s1 71328986 BDULLGRGDPJOLM-OAHLLOKOSA-N 443.577 2.840 0 40 IFAB CCOC(=O)c1c(C2CC2)csc1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 72309714 SWIOVXVJBPFRQZ-UHFFFAOYSA-N 434.562 2.574 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)Cc4cn(C)nc4C)nc32)c1 72371029 YKRLBOGFLXMTAK-UHFFFAOYSA-N 434.544 2.947 0 40 IFAB Cn1nc([C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)n(-c2ccccc2)c1=O 77100572 JCARYJCJSSGSLG-KRWDZBQOSA-N 430.464 2.697 0 40 IFAB C[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@H]1CNC(=O)OC(C)(C)C 78992522 YSLYKFZVNATWSI-YJBOKZPZSA-N 444.532 2.504 0 40 IFAB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)c1 79112464 QAZRUFLBXRPDMT-IBGZPJMESA-N 445.497 2.609 0 40 IFAB CC(C)C[C@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@@H]12 96299588 CCJUYJPNWLJZOB-QNGCPFJASA-N 435.499 2.817 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NC[C@H]2CCCO2)cc1 217487253 OJQZHEZQAINRQZ-GOSISDBHSA-N 434.514 2.505 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 223033902 ADHAXUZXPVOAQX-MRXNPFEDSA-N 448.541 2.524 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224638288 XTRRYQFCYNTIRR-GOSISDBHSA-N 445.585 2.762 0 40 IFAB COc1cccc(OCCNC(=O)CCCN(c2c(F)cccc2F)S(C)(=O)=O)c1 224886900 HXYLKSRKPWTVFM-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1Cl 225039389 DEEYUOOUTCAXFY-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(OC)c(F)c1 225101263 KSRXIQJPKUVRAO-UHFFFAOYSA-N 439.461 2.769 0 40 IFAB CCOc1ccc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225276704 YGSOCVGAEUAUFI-LJQANCHMSA-N 448.541 2.588 0 40 IFAB CN(c1ccc(CC(=O)Nc2ccc(CC(N)=O)cc2)cc1)S(=O)(=O)c1ccccc1 225979259 WGYMBZZCXFNSCZ-UHFFFAOYSA-N 437.521 2.721 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)c4ccco4)C[C@H]3c3cccnc3)C2=O)cc1 306132022 KVTXIMZLRPQIAT-SQJMNOBHSA-N 447.491 2.721 0 40 IFAB COc1ccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@H]3C2)cc1 306142479 XAIVECPQYJGDFL-ZWKOTPCHSA-N 433.512 2.852 0 40 IFAB CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O 409072623 JXPVYIHZKIJURB-KPKJPENVSA-N 447.250 2.899 0 40 IFAB COc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)OCO2 409095296 BUVACNGMWIUZSC-MKMNVTDBSA-N 429.816 2.609 0 40 IFAB CC(CC(=O)N(C)[C@@H]1CCCc2c1cnn2C)CC(=O)N(C)[C@@H]1CCCc2c1cnn2C 683448656 FWCJHWMWGNVSRT-WOJBJXKFSA-N 440.592 2.942 0 40 IFAB CCOC(=O)N1CCN(C(=O)[C@@H]2CN(CC3CC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595673 JJCXMTORXQMSIB-DYXWJJEUSA-N 431.508 2.518 0 40 IFAB O=C(CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1)Nc1nc2ccc(Cl)cc2s1 2037873622 FKNVJRWDJZTJDB-HZPDHXFCSA-N 447.900 2.711 0 40 IFAB COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 2949041 IFUBMOYZFKIIIE-STIKNRRDSA-N 434.448 2.871 0 40 IFAB biogenic COc1cc(CC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC 3322171 YZUROXSTIDNWRZ-CYBMUJFWSA-N 430.457 2.784 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@H](C)C3)c2C)c1 8755314 DCJGAGFFKTWRMA-AWEZNQCLSA-N 425.576 2.774 0 40 IFAB O=C(CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1)Nc1ccc(F)cc1 9067790 FRZXFJMELGKYQF-UHFFFAOYSA-N 442.510 2.964 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CC(=O)N1CCS[C@@H]1c1ccccc1F 9413864 MLNWPNFLGJPVSV-KNQAVFIVSA-N 441.484 2.630 0 40 IFAB COc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C 9519225 CPZVGDXDXKMOBU-KRWDZBQOSA-N 445.523 2.936 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)C(=O)N(CCc4cccs4)C3=O)c2C)no1 9580279 DKDCWGUCNAUJHZ-UHFFFAOYSA-N 440.481 2.668 0 40 IFAB COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)O)cc1 9673765 KYIDKSWBCHMYCE-IBGZPJMESA-N 445.497 2.609 0 40 IFAB CCc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 9746962 SENPTZFJXSNMOI-SFHVURJKSA-N 449.598 2.999 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1C 10985002 ANGWGGOOHZXCAG-AWEZNQCLSA-N 441.509 2.648 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3cccs3)nc21 12276830 JZZMQADDMQQYSZ-UHFFFAOYSA-N 443.435 2.601 0 40 IFAB COc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1OC 12555300 NJTLBLNBPSMWSR-QFIPXVFZSA-N 439.512 2.922 0 40 IFAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)n2)C1 12796256 NGALSJGOZODSLM-HNNXBMFYSA-N 436.603 2.719 0 40 IFAB O=C(CCNC(=O)c1ccccc1Cl)NC[C@H](c1ccc(F)cc1)N1CCOCC1 12847648 DXEYQBZYCFYQOP-HXUWFJFHSA-N 433.911 2.789 0 40 IFAB C[C@@](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)(C(=O)O)c1ccccc1 13253148 DKNUJERRXNFYHN-NRFANRHFSA-N 429.498 2.528 0 40 IFAB O=C(CCn1ccc2ccc(Br)cc21)N1CCN(CC(=O)N2CCCC2)CC1 13690895 UJTSBUJEFHETBA-UHFFFAOYSA-N 447.377 2.561 0 40 IFAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 14083782 FIDDACFBSFTYIC-UHFFFAOYSA-N 439.581 2.880 0 40 IFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(c3ccccc3F)CC2)C1=O 16834516 UUDOZUNHHGGZBV-HSZRJFAPSA-N 426.492 2.771 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3cc(C)cc(C)c3)n2N)c1C 18744043 ZNFZYHPOXHNZBL-UHFFFAOYSA-N 443.529 2.894 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC3CCCCC3)CC1)C2=O 19701373 IJPIIMPCOMSRNO-UHFFFAOYSA-N 432.609 2.990 0 40 IFAB COCc1nc2nc(SCC(=O)OC)nn2c(N)c1-c1ccc(Br)cc1 20676287 URSPIUXVYOQTLY-UHFFFAOYSA-N 438.307 2.548 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 23744603 AEISDQDYAIIODK-MOPGFXCFSA-N 447.626 2.789 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 25456574 MOQQUOLWRHYHQC-CVDCTZTESA-N 425.460 2.965 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30756580 YYDBBCJKXPMHCV-FQEVSTJZSA-N 444.553 2.706 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 30850816 FUTRYRDFEMMAOE-QGZVFWFLSA-N 448.541 2.739 0 40 IFAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCc1nc3sc(C)c(C)c3c(=O)[nH]1)C2=O 32830092 RDNUBZLOCGMYPS-NSHDSACASA-N 425.466 2.638 0 40 IFAB O=C(CCn1cnc2ccc(Cl)cc2c1=O)NC(=O)Nc1ccc2c(c1)OCCO2 32871162 UPFCAMOCGQQKBF-UHFFFAOYSA-N 428.832 2.560 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1 40309857 XVKLSEKTYYXKGR-AZUAARDMSA-N 430.505 2.672 0 40 IFAB biogenic O=S(=O)(c1ccc(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)cc1)C(F)F 48289454 IGMOYFYLZSYQQC-UHFFFAOYSA-N 436.546 2.570 0 40 IFAB CC(C)c1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520742 JTYOVTVZCGORNZ-UHFFFAOYSA-N 427.530 2.519 0 40 IFAB COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)c4cccnc4)cc3)[C@H]2CO)cc1 72321348 SAOVUHIIZHLOQY-ISKFKSNPSA-N 447.491 2.804 0 40 IFAB biogenic,in-vitro COCCn1nc([C@@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)n(C2CC2)c1=O 77150153 DZZOSPBXCZMENZ-OAHLLOKOSA-N 427.530 2.656 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)s1 90591362 DIYVXZXMIJYXDW-UHFFFAOYSA-N 432.571 2.763 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c1 95958137 VTKKWYCAKJQARE-MRXNPFEDSA-N 436.965 2.685 0 40 IFAB COc1cccc(N(CCCC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c1 113966852 RRHXPZCNLZAZQR-UHFFFAOYSA-N 431.558 2.590 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCCO)cc1OC 222806457 BVDZTYZGZHCDGX-INIZCTEOSA-N 448.947 2.816 0 40 IFAB CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223091223 OLZNFHLSMIQQEJ-UHFFFAOYSA-N 445.526 2.729 0 40 IFAB CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)s1 224437837 HNLYQMQXKPQYEZ-UHFFFAOYSA-N 426.589 2.749 0 40 IFAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)CN(C1CCCCC1)S(C)(=O)=O 225244088 RLSLCKYOHTXQPK-XDHOZWIPSA-N 426.608 2.505 0 40 IFAB C[C@H](C(=O)N1CC[C@H](c2ccccc2)C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 253374437 MIFNXXLMGPXENM-ZTEVPRNISA-N 447.535 2.922 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257246054 ISGGRBNMEHEONG-IBGZPJMESA-N 432.524 2.798 0 40 IFAB CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 306142748 XIHJODYWJCKRNN-CYFREDJKSA-N 427.545 2.918 0 40 IFAB O=C(c1ccc(F)cc1)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643557547 XRWNZVYDKIHOON-DEOSSOPVSA-N 426.488 2.959 0 40 IFAB COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 1177259564 OTPVJUSTJCDXDB-XIKOKIGWSA-N 435.546 2.926 0 40 IFAB CCOc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(C)(=O)=O 645044 FCFFTXRYNRPRTB-GOSISDBHSA-N 437.543 2.568 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 813927 QUUJYPZNAQNQDY-UHFFFAOYSA-N 446.525 2.830 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(N2C(=O)CCC2=O)c1 3265498 ACWAJZBOHSPAIK-UHFFFAOYSA-N 441.509 2.767 0 40 IFAB O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 3481242 YFEWVLPOBNUSKF-KRWDZBQOSA-N 440.880 2.814 0 40 IFAB CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(C)cc1N 8694501 QMMNGBLYKCOYBR-UHFFFAOYSA-N 434.503 2.514 0 40 IFAB COc1ccccc1C(=O)NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 8825853 YAMJBBYFAVHCAD-UHFFFAOYSA-N 435.358 2.564 0 40 IFAB Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3ccc(Cl)cc3)nc2n(C)c1=O 8897972 SHRNCWQIHHQSPL-UHFFFAOYSA-N 431.949 2.536 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 9262989 MBVIOFDCDQTPDR-WMLDXEAASA-N 433.553 2.714 0 40 IFAB COc1ccc(C(=O)N[C@@H](C)c2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)cc1 9263349 SJAQQUNFTXYADC-NWDGAFQWSA-N 446.558 2.891 0 40 IFAB COc1ccc(N(C(=O)c2cc3ccccc3oc2=O)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 9416119 OZAQMVFQPWVJGA-OAHLLOKOSA-N 441.461 2.768 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 9638747 PFTGWKCRZFKZBE-HNNXBMFYSA-N 428.543 2.980 0 40 IFAB Cc1ccc(F)cc1NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 9779758 FBJWQVODDLOXMQ-UHFFFAOYSA-N 447.488 2.855 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccco3)CC2)cc1 10219051 WYSZEPFJBGFTLG-UHFFFAOYSA-N 438.571 2.739 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)nn1-c1ccccc1F 10219420 POZJBAIDUNWLAN-UHFFFAOYSA-N 440.519 2.935 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)cc1 10295931 CIWIRJWMXUHLTJ-HXUWFJFHSA-N 447.455 2.946 0 40 IFAB CC[C@@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 11497509 XEJRYUBYHQEUCT-QFIPXVFZSA-N 429.586 2.786 0 40 IFAB O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1Cl 11694541 SZYAYKIYAOXORU-UHFFFAOYSA-N 429.889 2.802 0 40 IFAB CCc1cccc(CC)c1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11906023 TYILKHRSYJIWAE-UHFFFAOYSA-N 436.555 2.987 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12251455 IFEIHAUYNTXVAK-UHFFFAOYSA-N 437.406 2.540 0 40 IFAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCc1ccc2c(c1)OCO2 12406729 FNQPKPIKQXDFDW-UHFFFAOYSA-N 434.477 2.862 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2cccs2)CC1 12599156 CEXNJCYZNIFIMN-UHFFFAOYSA-N 447.626 2.810 0 40 IFAB CC(C)[C@H](NC(=O)NCc1ccnc(N2CCOCC2)c1)c1ccc2c(c1)OCCO2 12984145 XPGOVXXEHWGCFL-QFIPXVFZSA-N 426.517 2.886 0 40 IFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 13133456 GIIXSQXRGIFYEE-FQEVSTJZSA-N 430.302 2.841 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)nc1-c1ccccc1 13790069 FVWAOEXBZGMAPI-AWEZNQCLSA-N 437.543 2.597 0 40 IFAB CN1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 15880147 NZNDGHNTLAIGFU-LLVKDONJSA-N 447.007 2.638 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 15912501 PWFVKAHLKALOHC-GASCZTMLSA-N 442.965 2.786 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1nnc(Cc2ccccc2)s1 16694644 TUQCPCRVZLBDAU-HSZRJFAPSA-N 447.520 2.851 0 40 IFAB CC(=O)NCc1ccc([C@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@@H]2C(N)=O)cc1 19698731 NLPRWBGLAMIRMU-RTWAWAEBSA-N 427.932 2.636 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)n1 19705558 DVIHYURKWSULKY-GOSISDBHSA-N 449.486 2.744 0 40 IFAB Cc1cc(OCC(=O)N(C)Cc2nc([C@@H]3CCCNC3)cc(N(C)C)n2)c2ccccc2n1 19710003 NYYIFEVIENHRTC-GOSISDBHSA-N 448.571 2.904 0 40 IFAB Cc1ccc(Cc2nn3c(=O)/c(=C\c4cccc(Br)c4)sc3nc2=O)cc1 20233263 MSUVFKYFCDADSM-GZTJUZNOSA-N 440.322 2.721 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)cc1C(=O)NC(C)C 20460561 XYPBNOBUFJUBMW-UHFFFAOYSA-N 442.541 2.806 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 21933846 KQEGUWPXLGZABY-UHFFFAOYSA-N 429.542 2.556 0 40 IFAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22793427 JWOFPCJBAXVKLC-UHFFFAOYSA-N 447.539 2.974 0 40 IFAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cc(Cl)ccc1-n1cncn1 22803348 BDOCSBPMVGRQNT-UHFFFAOYSA-N 440.935 2.556 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@H]2CCOc3ccccc32)c1 23786691 CJYBBMMESSESBI-IBGZPJMESA-N 429.542 2.791 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30064334 HQMXNXQPKMTEKA-UHFFFAOYSA-N 438.553 2.871 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@H]1c1ccco1 32776522 INWAIPXFPOTPSH-AEFFLSMTSA-N 446.843 2.651 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1OC 32777504 CQBAFOZYOCEWBL-HNNXBMFYSA-N 449.349 2.832 0 40 IFAB CC(=O)N[C@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 35056624 XCMZMJFBJIDKSB-CRLGVJNESA-N 435.476 2.923 0 40 IFAB O=C(Nc1cc2ccccc2oc1=O)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 36708444 XJMPDZZPQWNVRG-AWEZNQCLSA-N 439.449 2.861 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 40478227 CXRYRPPIPBDASJ-UHFFFAOYSA-N 446.364 2.833 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(OC)c(OC)c1 44845353 SSIIVDQNGQWIFX-UHFFFAOYSA-N 434.514 2.678 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)ccc1Cl 48342734 YWOHBFNUJQXTNV-UHFFFAOYSA-N 425.820 2.760 0 40 IFAB O=C(NCCNC(=O)c1cccn1-c1ccc(I)cc1)c1ccco1 58015273 KLTMUTYDDBRVTJ-UHFFFAOYSA-N 449.248 2.835 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCCc2cc(OC(F)(F)F)ccc21 59897134 BJACUYCADKBHAL-UHFFFAOYSA-N 439.415 2.603 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69930230 IPVCHUMUUOMRIJ-XUZZJYLKSA-N 426.605 2.759 0 40 IFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc5c(cc4OC)CCC5)C[C@H]32)c(OC)n1 72392637 CGMPZCUSZJJFQF-WPSZSDGUSA-N 425.529 2.721 0 40 IFAB Cc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccncc3Cl)C2)ccc1-n1cncn1 95435119 JXHUFZRAWCUBMR-MRXNPFEDSA-N 438.919 2.906 0 40 IFAB O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 95975601 XPQIAXQQFLQQMX-UHFFFAOYSA-N 434.466 2.856 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1Cl 224356058 HSPVJBPQUIJOPD-QMMMGPOBSA-N 436.968 2.715 0 40 IFAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225705585 IYNOLDMMPCNNFO-NRFANRHFSA-N 445.585 2.785 0 40 IFAB COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 252516530 TXNPCUZOXBUYCO-WOIUINJBSA-N 432.542 2.857 0 40 IFAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)o1 257248200 JCPTUANEAUEIMH-IBGZPJMESA-N 436.512 2.854 0 40 IFAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)CC1 408590983 HPWRKTMWECNPRX-UHFFFAOYSA-N 438.550 2.557 0 40 IFAB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 408671834 VCXDUONKSSYWOD-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB O=S1(=O)C=C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575424181 SZLJAQZANYWGPO-MRXNPFEDSA-N 442.356 2.951 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4cc(-c5cccnc5)on4)CC3)n2)n1 1775969741 JFHVDYPAZVEEBZ-UHFFFAOYSA-N 445.483 2.573 0 40 IFAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(Cc2cccc(OC)c2)CC3)C1=O 2055795882 NEOARIRRHGEQPP-VWLOTQADSA-N 435.572 2.826 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)Cc5ccccc5)C4)nc32)cc1 1334218 KYIGTZVRWZUOAH-FQEVSTJZSA-N 442.523 2.820 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 3315592 JQVCXFXBEOTUHF-UHFFFAOYSA-N 428.510 2.607 0 40 IFAB COCCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C 4400223 RWBZTBMMGLIJIQ-HSZRJFAPSA-N 447.495 2.870 0 40 IFAB Cc1c(O[C@H](C)C(=O)NCCCN2CCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 6658884 POPVKXDJWZUBJI-MRXNPFEDSA-N 426.513 2.876 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)nc(SC)n(-c2ccccc2)c1=O 8674166 PZOIGTNQDGOEBY-INIZCTEOSA-N 426.450 2.937 0 40 IFAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8983343 IAKQIKGHLUQXRK-UHFFFAOYSA-N 435.933 2.883 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)c1 9261421 MUSXJDBRMLLVDX-UHFFFAOYSA-N 432.531 2.501 0 40 IFAB COc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C2CC2)cc1 9495628 OLWPTOGWJIHJNZ-UHFFFAOYSA-N 447.557 2.892 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)C1CCCC1 9507598 IEICCILOQWXALE-UHFFFAOYSA-N 436.452 2.777 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9584846 FLEFRSZRLROBIQ-OYLFLEFRSA-N 432.480 2.534 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1c(F)cccc1Cl 9729174 PIZZHLYBDAMNOQ-AWEZNQCLSA-N 427.929 2.853 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1C 9792163 JYVIZQYHVXXKPW-UHFFFAOYSA-N 427.320 2.806 0 40 IFAB Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9821627 CUCNDOJFBTXGBD-UHFFFAOYSA-N 441.491 2.530 0 40 IFAB CCOc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC 9971457 DREGDJAZILKIPW-LJQANCHMSA-N 440.496 2.735 0 40 IFAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 11232506 DRJJMLJATQGTGE-UHFFFAOYSA-N 433.559 2.737 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C[C@@]3(CO4)NC(=O)c4ccccc4N3)[nH]n2)o1 12085487 LONJKMDUEZFZMR-DEOSSOPVSA-N 447.495 2.925 0 40 IFAB CCCn1nc(C(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)c2ccccc2c1=O 13115432 UZEVQHDKNIXPAP-UHFFFAOYSA-N 438.503 2.912 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)cc2c1 13570845 UKCXSKXWLATRMA-HXUWFJFHSA-N 438.553 2.987 0 40 IFAB O=C(c1ccccc1SCc1cccs1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14229903 LLCFOCYTISFZCD-INIZCTEOSA-N 436.624 2.985 0 40 IFAB Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccoc3C)CC2)ccc1Br 14240274 BCPIFCGDNNZEKX-UHFFFAOYSA-N 427.320 2.806 0 40 IFAB COCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCC[C@H]2O)cc1 15672190 JEOAVIHBEQAVIC-NHCUHLMSSA-N 445.491 2.638 0 40 IFAB biogenic,in-vitro O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 16494568 DBAKDKAOKGWMCH-VAWYXSNFSA-N 436.537 2.560 0 40 IFAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)c1 19234763 FZKFDOCDLOOJCN-OAQYLSRUSA-N 434.540 2.669 0 40 IFAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccnn2C)C1 19529950 LVPGVZVLKHKWHW-WZONZLPQSA-N 442.491 2.928 0 40 IFAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(CN4CCOCC4)n3C)n2)cc1 19641653 AFUXSTBQSOVOKV-UHFFFAOYSA-N 444.586 2.810 0 40 IFAB CN1C[C@H](c2ccc(CN(C)C(=O)CCCc3nc4ccccc4[nH]3)cc2)[C@@H](C(N)=O)C1 19699195 AQMZEMSXRFLLJP-UXHICEINSA-N 433.556 2.675 0 40 IFAB NC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cnc(N3CCCCC3)nc2)C1 19702174 RKLIPBVITCTNIH-AWEZNQCLSA-N 436.541 2.805 0 40 IFAB Cc1ccn2c(CN3CCC(c4ccc(C(=O)N5CCOCC5)c(N)n4)CC3)c(C)nc2c1 19765753 OGGHWNHTGVRRKK-UHFFFAOYSA-N 448.571 2.780 0 40 IFAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 21840689 LYHKFRJRYMATTK-UHFFFAOYSA-N 426.560 2.519 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2coc(-c3cccs3)n2)cc1 22690239 JQQBCGVVELYQBI-UHFFFAOYSA-N 449.510 2.773 0 40 IFAB O=C(CCn1cnc2sccc2c1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 24760072 AZUOUTCVNAZORI-UHFFFAOYSA-N 438.490 2.814 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cnn(-c4ccccc4)c3)C2)s1 24924864 GBUOAUZRRQNLCM-GOSISDBHSA-N 444.582 2.959 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30573559 XZBBJFHLFQFECB-QGZVFWFLSA-N 426.542 2.713 0 40 IFAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 31065450 LPXYRLUZRBPRPC-HOCLYGCPSA-N 427.453 2.880 0 40 IFAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 32983449 BNUWJKMRXXAUNL-QGZVFWFLSA-N 440.525 2.822 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)CC2)cc1 35897744 KVCADAZCZCTMCC-ZFMNYDKASA-N 446.569 2.556 0 40 IFAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 40154172 KGMSIPZAYLSAFN-HNNXBMFYSA-N 430.555 2.510 0 40 IFAB CC[C@H](C(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 56907966 CEYWRIHEPXUEBU-SFTDATJTSA-N 444.601 2.702 0 40 IFAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 59811863 FLZOBBBEFHTFEB-ZDUSSCGKSA-N 446.356 2.507 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O 60211189 QIWAUTYWKSJSSY-XMHCIUCPSA-N 433.553 2.855 0 40 IFAB CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 65497222 ACYHDGXNPOFOTN-LJQANCHMSA-N 431.510 2.994 0 40 IFAB C[C@H](C(=O)Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cc1)n1cncn1 71808657 CJRVKCADSWLJSR-AHRSYUTCSA-N 442.520 2.670 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(OC)c1 79112507 ZDHWEBVWVVLVQN-IBGZPJMESA-N 437.543 2.568 0 40 IFAB CCN(CC)[C@H](CNC(=O)CN1CCC(NC(=O)c2ccsc2)CC1)c1ccco1 89967785 ZPMPRVIVAKMKEW-LJQANCHMSA-N 432.590 2.735 0 40 IFAB COc1ccc2nc(CO[C@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3F)[nH]c2c1 96112273 BLIJOTCTRVRJAF-XLIONFOSSA-N 433.505 2.714 0 40 IFAB biogenic,in-vitro COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 108243636 OAOMDSIGNAYZOQ-UHFFFAOYSA-N 439.541 2.835 0 40 IFAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)CCC2 223232307 BMVHAJTWYFSWCY-KRWDZBQOSA-N 428.554 2.828 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 223271364 AUEUCOYBTQSEDI-KRWDZBQOSA-N 449.573 2.811 0 40 IFAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 223782986 PRYDJIXSEOLCJJ-UHFFFAOYSA-N 448.497 2.527 0 40 IFAB Cc1ccc(C(=O)NCCN2CCCC2=O)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224320215 KPZQHAQNFOTCJK-UHFFFAOYSA-N 449.960 2.826 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCCC2)c1)Cc1ccccc1 224701081 UZLBCZONSMSTTH-UHFFFAOYSA-N 429.586 2.751 0 40 IFAB O=C1COc2ccccc2C/C=C/C[C@]2(CCCN(S(=O)(=O)c3cccnc3)C2)CN1 257292732 QMSWWYJKFDAPAP-CRTIWDKESA-N 441.553 2.550 0 40 IFAB C[C@@H]1CCCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 260801537 BHSUKGMISTUFEU-MSOLQXFVSA-N 442.025 2.979 0 40 IFAB CCc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 306145112 ZYNOJADZCLIMKC-RUZDIDTESA-N 438.572 2.723 0 40 IFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1 408530339 KJNAIPRDFLFNLN-UHFFFAOYSA-N 449.548 2.548 0 40 IFAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(COc2ccccc2)n1 604382646 WWGSSKZVGDCFFR-LUGTWXOSSA-N 437.515 2.885 0 40 IFAB biogenic,in-vitro CC[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H](CO)[C@@H]1CN1CCOCC1 1772595026 QRPZEKXJQIOVQM-ZTFGCOKTSA-N 431.455 2.768 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)Cc4noc5ccccc45)CC3)n2)n1 1775969966 UTJBXMUPGHQNQH-UHFFFAOYSA-N 432.484 2.593 0 40 IFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@H](Oc2ccncc2Br)C1 1775972570 LGWAOXQHMABKPQ-JTQLQIEISA-N 441.332 2.691 0 40 IFAB CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3C2)cc1 2259818 YKHNNVGEPVTFST-WQRHYEAKSA-N 427.913 2.624 0 40 IFAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 3557509 AMPLZNLBAYOBGZ-UXBLZVDNSA-N 444.553 2.867 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)nc(C)n1 6156120 SILUVYOYOLFCJQ-IRXDYDNUSA-N 432.502 2.724 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)NC12CC3CC(CC(C3)C1)C2 7907075 LFUAPHJFKCYHKO-UHFFFAOYSA-N 427.545 2.803 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@H]3c1ccc(OC)c(OC)c1 9302728 ZUBLKCODVOFPPL-NRFANRHFSA-N 438.480 2.926 0 40 IFAB CCCNc1c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(=O)oc2ccccc12 9560770 VDEVYNASAKGJOA-UHFFFAOYSA-N 429.454 2.861 0 40 IFAB C[C@@H]1CN(C(=O)CSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)C[C@@H](C)O1 9595039 YQJLZKZZOXYWMM-VXGBXAGGSA-N 433.921 2.902 0 40 IFAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1OC 10058931 UUQAMEOWADLEFX-UHFFFAOYSA-N 442.537 2.836 0 40 IFAB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2cccc(Br)c2)n2nnnc2N1 10232446 ZCOVQJVDIDVCIC-CQSZACIVSA-N 446.286 2.822 0 40 IFAB CCS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 10253132 OZIXKDVIENQTON-UHFFFAOYSA-N 429.567 2.981 0 40 IFAB COc1cccc(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)c1 10337280 XKWDQTVAMBCGSX-UHFFFAOYSA-N 431.539 2.671 0 40 IFAB O=C(Cc1ccccc1Cl)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796140 MJBXQGARGJMPAA-UHFFFAOYSA-N 435.977 2.541 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCc3ccccc32)cc1OC 11859859 UJGFMRZVYYPYIA-IBGZPJMESA-N 430.526 2.836 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CCC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 12087064 YMNQUQJMXSIIPG-SFHVURJKSA-N 426.517 2.945 0 40 IFAB O=C(c1ccccn1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089340 IMKYKNGEMYSWAO-IBGZPJMESA-N 430.512 2.790 0 40 IFAB C[C@H]1CN([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C[C@@H](C)O1 12620784 FMNMAOKCWHINLH-XHSDSOJGSA-N 443.997 2.951 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O 12679144 ZIQBVWPFPWFONG-CLOONOSVSA-N 449.507 2.979 0 40 IFAB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 12698672 MKAKBUSWUYIOGU-UHFFFAOYSA-N 436.555 2.907 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 12784836 ITZFJFDXEGZPLZ-UHFFFAOYSA-N 444.340 2.889 0 40 IFAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 12802445 PFMFUTWPFBAVKU-NRFANRHFSA-N 449.858 2.938 0 40 IFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(OC(F)(F)F)cc1 12879569 QMGDYUSGCCWYSE-UHFFFAOYSA-N 430.448 2.896 0 40 IFAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036812 BYSOJRXAYHLPBI-UHFFFAOYSA-N 433.903 2.755 0 40 IFAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 15346540 VNMKNJDAFOZNEX-RCJYHZQCSA-N 430.570 2.661 0 40 IFAB CCNC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1OC 15503930 AXMPCBSFOYHQIO-HXOBKFHXSA-N 439.512 2.956 0 40 IFAB Cc1ccc(Cl)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 15647220 CGGPARUOCWQTBS-UHFFFAOYSA-N 431.920 2.961 0 40 IFAB CC(C)OC(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 16964094 KMLNSOQIMARLRW-UHFFFAOYSA-N 430.954 2.976 0 40 IFAB COc1cc(C)c(NC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)cc1OC 19356955 MQYDLULCZGLPGD-HNNXBMFYSA-N 443.525 2.812 0 40 IFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)on3)nc(N(C)C)c2C1 19710405 DTHAFODDXBTFOG-IBGZPJMESA-N 438.532 2.680 0 40 IFAB Cc1ccn2cc(C(=O)N3CCCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)nc2c1 19765667 YRKGHAKWPBXYHG-FQEVSTJZSA-N 448.527 2.581 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3csc(-c4ccccn4)n3)ccc21 19942419 OSDZCKJLCGSQHF-UHFFFAOYSA-N 428.539 2.635 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(OC)c(OC)c2)cc1 22226928 VDNGCBGMIKWTDS-UHFFFAOYSA-N 434.558 2.636 0 40 IFAB COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 22278422 MBSAGBAZISSKEZ-UHFFFAOYSA-N 433.530 2.764 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 22285345 JYZTWGJDXDYMDD-OAQYLSRUSA-N 430.526 2.930 0 40 IFAB CN(CC(=O)Nc1cccc(I)c1)S(=O)(=O)c1cccs1 22397307 CEMYTKJJHLFPDK-UHFFFAOYSA-N 436.296 2.612 0 40 IFAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(-n3cccn3)nc2)C1=O 22989779 ZLDUARCCCKLISV-XMMPIXPASA-N 440.463 2.826 0 40 IFAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1=O 23804799 DKUCXXWOLGDBII-CVDCTZTESA-N 433.552 2.875 0 40 IFAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2cnn(C)c2)c1OC 25306245 GYFURNYOVSEUDW-UHFFFAOYSA-N 434.449 2.630 0 40 IFAB COc1ccc([C@H](CC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)NC(C)=O)cc1 32745427 IXNRMOXUGOKKIW-INIZCTEOSA-N 441.509 2.793 0 40 IFAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(N2CCCC2=O)cc1 32747274 ZFKWMGOHZHERLA-FQEVSTJZSA-N 430.464 2.641 0 40 IFAB CCN1C[C@@H](CN(C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 32814656 QSGVEDDHVXAIEO-WOJBJXKFSA-N 428.529 2.857 0 40 IFAB O=C1Nc2ccccc2C(O)=N[C@H]1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 36360535 GPUIPSZPWZMFFA-OUZREKFBSA-N 432.524 2.950 0 40 IFAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(C(=O)CN2CCOCC2)CC1 40033639 PEKOKYABWSMTQE-VWLOTQADSA-N 446.551 2.568 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C[C@H](O)COCc4ccccc4F)CC3)n2)cc1 40039715 RLCCQKPMLHRINE-NRFANRHFSA-N 440.519 2.879 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399653 TXBHEIWOICBTND-INIZCTEOSA-N 435.415 2.920 0 40 IFAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1C 67322879 LKFJUVDWBHNSLM-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3scnc3C)nc(N(C)C)c2C1 72372316 GAKMGARYWSMZAU-QGZVFWFLSA-N 428.562 2.580 0 40 IFAB O=C(CN1C(=O)CSC1=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393508 HPOVABYKFOHRTC-UHFFFAOYSA-N 433.549 2.914 0 40 IFAB Cc1ncsc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 95444183 HCVOKSDAGPAVBR-HZPDHXFCSA-N 436.578 2.819 0 40 IFAB CSCC[C@@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 101220871 FDELBLHJGMYLED-BYKGXIPFSA-N 445.562 2.649 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 106202445 GGRSKSXFNRLFFH-CYBMUJFWSA-N 447.285 2.993 0 40 IFAB COc1ccc(N(CCCC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 222601124 DEFZOKYXGBHBDJ-UHFFFAOYSA-N 445.585 2.586 0 40 IFAB NC(=O)Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 222853011 KXMYYZAWJSUDPO-UHFFFAOYSA-N 443.569 2.897 0 40 IFAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223146494 RWSNSOMFFIBQIG-GOSISDBHSA-N 448.932 2.981 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2F)CC1 224593810 KYFQNYIQMDFHNZ-OAQYLSRUSA-N 449.548 2.728 0 40 IFAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1 225607322 CVAFVEVSFYZYLN-UHFFFAOYSA-N 442.896 2.690 0 40 IFAB COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@@]4(Br)[C@@H](C2)N(C)CC[C@]314 253504242 DOUIIQXGCWGWBD-DPDIENECSA-N 434.330 2.980 0 40 IFAB biogenic,in-vitro Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@H](Cc2cccn3nccc23)C1 257240336 HTBKOCDWOBJDLX-GOSISDBHSA-N 447.495 2.936 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NCc1ccncc1 257306587 SUYLLDBLTPVXJU-HXUWFJFHSA-N 446.555 2.716 0 40 IFAB COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)cc1 257336593 YPDGNNGMHGRHIY-REWPJTCUSA-N 438.524 2.854 0 40 IFAB O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CCN(Cc3cccc(Cl)c3)C1)C2 306133600 MQLSQNDOKIVZPZ-QHCPKHFHSA-N 444.963 2.814 0 40 IFAB COCCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 306144011 YTJMKXYSJLHEHT-AVRDEDQJSA-N 445.589 2.610 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)c1 408555999 YOBJQBXYUKXBPB-GOSISDBHSA-N 432.542 2.763 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c(OC)c1 408657803 PJULIZDSKGOIDC-RDJZCZTQSA-N 426.469 2.795 0 40 IFAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(O)c(Br)c3)C2=O)c1 409102151 YEKWKJMFCBHRDW-OQLLNIDSSA-N 430.258 2.995 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 409393488 XCKLPCGHZUKGBW-LJQANCHMSA-N 446.569 2.772 0 40 IFAB O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21 575404502 NQLQCBSKZQYCRV-IOFSEFHDSA-N 426.561 2.526 0 40 IFAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)C1(c2ccccc2)CCOCC1 585147766 YPEXFUDMTKCTCG-UHFFFAOYSA-N 441.553 2.585 0 40 IFAB COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604405910 WXFDVKVNBFGULO-KRWDZBQOSA-N 449.463 2.630 0 40 IFAB biogenic O=C(CCc1ccccc1Br)N1CCCc2cnc(N3CCOCC3)nc21 675007613 ZYXABTGRTKRQER-UHFFFAOYSA-N 431.334 2.988 0 40 IFAB O=c1c2ccc(F)cc2ncn1CC1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 1888979423 ZGZRYEPUHUQTLQ-UHFFFAOYSA-N 433.480 2.917 0 40 IFAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 3317816 LVOYDGUNOCBMLN-UHFFFAOYSA-N 442.537 2.916 0 40 IFAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2c(OC)cccc2OC)CC1 4712233 VYDSTEOVIIBXIB-UHFFFAOYSA-N 427.501 2.885 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2cccnc21 8604749 IGGGQEGSURSXLO-UHFFFAOYSA-N 436.493 2.705 0 40 IFAB COc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc(OC)c1 8748560 MDUIGKITOMQHBN-HUUCEWRRSA-N 434.514 2.754 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1N1CCOCC1 8861035 JIKHWZCAZZRFNT-UHFFFAOYSA-N 443.569 2.879 0 40 IFAB Cc1cc(C)n2nc(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2n1 9253212 AYTMXMAAMBYTTA-INIZCTEOSA-N 425.514 2.968 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cc1 9356547 ZUNABEKNINWFPR-UHFFFAOYSA-N 439.537 2.988 0 40 IFAB O=C(COC(=O)c1cccnc1Cl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9441380 SCCPIIPJTGMVEQ-UHFFFAOYSA-N 437.905 2.705 0 40 IFAB CCOC(=O)c1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CCN(C(C)=O)C2 9521524 HFMQCRYDGOSPMJ-UHFFFAOYSA-N 430.482 2.739 0 40 IFAB C[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9545415 SVNKUDAMZJRCHP-VIFPVBQESA-N 431.301 2.790 0 40 IFAB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1ccccc1C(=O)c1ccccc1 9549295 CGJUZWRVBOLCGN-UHFFFAOYSA-N 441.443 2.809 0 40 IFAB Cc1cccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)c1C 9712573 LXNCESPWHWFMLG-UHFFFAOYSA-N 444.542 2.641 0 40 IFAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(Cl)c2N)c(=O)n(-c2ccccc2)n1C 9836255 LYQAWXLCVRTTQT-CYBMUJFWSA-N 428.876 2.904 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(Cl)c3)n2)cc1 9844810 GEVQDQRDOBZOIW-UHFFFAOYSA-N 433.917 2.941 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c2ccccc2O1 9869936 FYBKFWOJTSLKMF-JTSKRJEESA-N 429.476 2.733 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2ccc(OC)cc2OC)C1=O 9882713 LRBGPOJYSCKGAM-HSZRJFAPSA-N 425.485 2.520 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)sc2c1 10022291 KJHVYHHHKLFQSV-UHFFFAOYSA-N 440.506 2.557 0 40 IFAB COc1ccc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 10511301 DBWLGFMBGMOSHC-UHFFFAOYSA-N 434.422 2.685 0 40 IFAB COC(=O)Cn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2ccccc2c1=O 10771801 LZSDYNWOIZJGEC-LJQANCHMSA-N 441.484 2.821 0 40 IFAB C[C@H](Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F 11364650 GOZUZRHVKYXRDU-GJZGRUSLSA-N 435.525 2.552 0 40 IFAB COc1ccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 12233037 CIENMKHSIXRLOK-QGZVFWFLSA-N 447.520 2.944 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 12599140 LGIBRBFWJYZQRQ-WBVHZDCISA-N 445.570 2.607 0 40 IFAB COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 12637373 SWDPBTNMTXOOHB-MRXNPFEDSA-N 438.571 2.737 0 40 IFAB O=C(Nc1ncccc1O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 12752578 NUHGTQCODTURTC-LBPRGKRZSA-N 440.319 2.589 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCc1nc2ccccc2c(=O)[nH]1 12858532 SVFOTTVCZXEMMY-UHFFFAOYSA-N 432.402 2.972 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 12860550 CZLBFZLFMPIEKF-CQSZACIVSA-N 442.946 2.658 0 40 IFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)c4c(OC)cccc4OC)nn23)c1 13526259 IIZBSWICBIAOTB-UHFFFAOYSA-N 449.467 2.626 0 40 IFAB COc1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 13591612 IIEBDKLYWIKYPU-IFQOCWFZSA-N 429.904 2.802 0 40 IFAB COc1cccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC 13734051 UASAJKZYTLTOBP-DENIHFKCSA-N 440.521 2.948 0 40 IFAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)n2)cc1 13801205 NGZRMEBXENMDQS-QGZVFWFLSA-N 435.480 2.921 0 40 IFAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(N2CCCS2(=O)=O)c1 14127075 XMTYEEKEJSVTLE-UHFFFAOYSA-N 435.933 2.969 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCCn1ccnc1)c1cc(Cl)ccc1Cl 14396926 HVXMQLCACGIZJS-UHFFFAOYSA-N 433.361 2.943 0 40 IFAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)no1 14706663 ANHVOQLFQWIRGC-UHFFFAOYSA-N 430.486 2.896 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2OC)cc1 15391197 ZRCHMODISVVLRF-SFHVURJKSA-N 432.542 2.954 0 40 IFAB O=C([C@H]1CCCNC1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19336021 QPGZDQQNDMNRHN-INIZCTEOSA-N 425.508 2.893 0 40 IFAB O=S1(=O)N=C([C@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)Nc2ccccc21 19375677 GEFAJHAIYFBMCF-INIZCTEOSA-N 426.546 2.502 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21 19498260 YMQDVCNASJMDQQ-INIZCTEOSA-N 426.480 2.852 0 40 IFAB CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19500092 MEWPOLJRIDJJRU-INIZCTEOSA-N 440.519 2.860 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cn1 19525032 YZHAUWWVERYNDX-HNNXBMFYSA-N 435.550 2.522 0 40 IFAB COc1ccc(Cn2nnnc2CN2CCC[C@@H](c3[nH]ncc3-c3ccncc3)C2)cc1 19556182 VXNWZPRMBMOFJZ-LJQANCHMSA-N 430.516 2.895 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)c2N)cc1 19583501 AROKTBIUBCODSP-IBGZPJMESA-N 447.539 2.870 0 40 IFAB COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 19594088 VDIRIHCOUWVBSF-OAQYLSRUSA-N 426.952 2.880 0 40 IFAB O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)[C@@H](c1ccccc1)N1CCCCC1 19634550 VCXKDZLDDHHOFA-OAQYLSRUSA-N 441.553 2.886 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CCN(C(=O)C1(c3ccccc3)CCOCC1)C2 19710924 FZXNGTNFLABRNH-UHFFFAOYSA-N 435.572 2.618 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)n2ncnc2N1CC(=O)c1ccccc1 20674205 DDHONGXXZAWLRP-HSZRJFAPSA-N 443.507 2.703 0 40 IFAB CCOc1cc(CNn2nnnc2N)cc(Br)c1OCc1ccc(F)cc1 22111716 FRPHZCTXIQLWSV-UHFFFAOYSA-N 437.273 2.878 0 40 IFAB COc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)S(C)(=O)=O)cc1 22332723 WJKSSFJWWVSBPL-IBGZPJMESA-N 448.541 2.888 0 40 IFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1 23127788 RFYIMUZRGMOXNB-NRFANRHFSA-N 431.558 2.633 0 40 IFAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23763468 VSSKNBFCUINFLX-OAHLLOKOSA-N 429.904 2.531 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25901411 PCORALLRVOMANM-FUHWJXTLSA-N 429.542 2.788 0 40 IFAB COc1ccc(-n2ncc(C(=O)NCCOc3ccc(F)cc3)c2C(F)(F)F)nn1 30129750 YPPHDUSPKGJKRM-UHFFFAOYSA-N 425.342 2.638 0 40 IFAB C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cc2ccccc2o1 32745387 COUALHFXXJZSOR-LBPRGKRZSA-N 444.538 2.936 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1 32759370 QRWWZAZVPQTEAW-UHFFFAOYSA-N 446.953 2.873 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)c1ccc(NC(N)=O)cc1 32927576 RFFRHNVTUZOQOI-NSHDSACASA-N 444.435 2.509 0 40 IFAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 33407887 UBWPLIVNBIUIKK-UHFFFAOYSA-N 428.470 2.832 0 40 IFAB CC1=CC=CN2C1=NC(=O)C[C@]2(C)C(=O)N(CC(=O)NCCc1ccccc1)C1CCCC1 35312914 FBUUIMKFPHJIAB-AREMUKBSSA-N 448.567 2.980 0 40 IFAB CCCOc1ccc(CNC(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1OC 40122654 IPDGHUOCMKLBEH-UHFFFAOYSA-N 429.448 2.763 0 40 IFAB Cc1oc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1 40132609 VKPMXEGHJPUARJ-UHFFFAOYSA-N 428.514 2.531 0 40 IFAB CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1 40150043 VKIXIZOGQGDBQR-HXUWFJFHSA-N 430.574 2.929 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)c(C)c1 44899764 ZYOQPYJWRAUYSJ-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB COC(=O)CCCCCCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1 45792890 LHMVOXVRBYLRAF-SFHVURJKSA-N 444.619 2.635 0 40 IFAB Cc1ccccc1C(=O)NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 46620992 KYSRKCDXSBSVJY-UHFFFAOYSA-N 433.430 2.728 0 40 IFAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48235059 IUXAMJGLKHRYMR-OAHLLOKOSA-N 427.471 2.946 0 40 IFAB CCc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1 57328292 TTWAMJMHUZXWKM-UHFFFAOYSA-N 427.526 2.999 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1OC 58481555 LCQYMWISTVTHIY-CQSZACIVSA-N 426.473 2.891 0 40 IFAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)[C@@H]3O 68569346 SYHUKNSTHJICMX-FTLKTZKXSA-N 438.605 2.508 0 40 IFAB O=C(Nc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1Br 71807268 OVZXRXSEZBVVBG-LBPRGKRZSA-N 437.315 2.618 0 40 IFAB CCc1c(C)nc2cc(-c3ccoc3C)nn2c1N1CCN(C(=O)N2CCOCC2)CC1 72336863 HZIWGTMZSUETHS-UHFFFAOYSA-N 438.532 2.743 0 40 IFAB COc1cccc(O[C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c1 72395650 HGJUNNVRMWPOJY-DOPJRALCSA-N 435.475 2.983 0 40 IFAB COc1ccc2c(c1)c([C@H]1CN(Cc3ccc(OC)c(CO)c3)C[C@@H]1NC(C)=O)cn2C 72395714 GXZUKLBKHRQETM-PKTZIBPZSA-N 437.540 2.792 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ccc(OC)nc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 72405389 BOYWVYQYZJUWKI-INIZCTEOSA-N 442.497 2.574 0 40 IFAB Cn1nc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)n(-c2ccccc2)c1=O 77100648 KZCZJAQWSFSVQU-UHFFFAOYSA-N 431.540 2.730 0 40 IFAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 89274604 AYMWCYMPGOMMCH-CWTRNNRKSA-N 441.937 2.573 0 40 IFAB C[C@@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)N1CC[C@@H](O)C1 95405853 DNPQZPIFYFJXFG-NXEZZACHSA-N 446.672 2.853 0 40 IFAB CCCn1c(CN2CCCC[C@H]2c2ncn[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 95454735 DYXPEOMCZWTKAA-SFHVURJKSA-N 431.566 2.542 0 40 IFAB COC(=O)c1nc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)sc1-c1ccccc1 95476986 ZJZQDYVGYSEHMP-LBPRGKRZSA-N 435.465 2.901 0 40 IFAB CCN1C(=O)[C@H]2CN(C(=O)N(C)C)C[C@H]2C12CCN(C(=O)Nc1cccc(Cl)c1)CC2 96143670 PFLKDQOWSWERIW-ZWKOTPCHSA-N 447.967 2.798 0 40 IFAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C1 106526386 AOOXNQLKPZNDID-MASVMSMMSA-N 433.412 2.508 0 40 IFAB CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 108511419 VNNZLGIBHWIYBJ-WNRNVDISSA-N 443.297 2.831 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c(C)c1 220179924 RBVOYJHJPXKMDW-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1NC(C)=O 223079329 QCQBIPAPRLYROV-UHFFFAOYSA-N 447.582 2.968 0 40 IFAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 223718138 LDRRJZXOJFWYJH-ZLGUVYLKSA-N 428.558 2.988 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 224195261 OUUOXRFNIFTHPE-UHFFFAOYSA-N 447.340 2.818 0 40 IFAB COc1ccc(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 224890576 PTLPXCLCULLXQY-UHFFFAOYSA-N 442.484 2.845 0 40 IFAB Cc1ccccc1-c1noc(CNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)n1 225828846 WHPZRLQEAYBCAP-UHFFFAOYSA-N 431.543 2.927 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(C3CCCC3)C(=O)C2)Nc2ccccc21 257200866 AFEFUUYQHDKDIZ-WVWCEFAQSA-N 436.556 2.588 0 40 IFAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257333693 YCQOMUWATWVYRE-HXUWFJFHSA-N 433.512 2.905 0 40 IFAB CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306126542 DYTMTPNGONNGEC-URXFXBBRSA-N 433.560 2.611 0 40 IFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc(C)c2)c1 408572286 IGPZVPYAMHUWBQ-UHFFFAOYSA-N 426.542 2.660 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2)cc1 408635709 HOUIRTYLANIOOV-UHFFFAOYSA-N 439.537 2.988 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 408652775 CWSNREKPUTZYFK-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408657416 JYWUQWYSXIBAPG-ROUUACIJSA-N 434.448 2.946 0 40 IFAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1S(=O)(=O)N1CCCC1 408697337 JDPRDFUUKGWABY-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)CC1 409331620 OSAUFZZVZYRELO-UHFFFAOYSA-N 445.541 2.734 0 40 IFAB Cc1n[nH]c(C)c1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 524733854 VZKYNGQGBPSALE-JOCHJYFZSA-N 429.480 2.848 0 40 IFAB C[C@@H]1CC[C@](C)(CNC(=O)Cn2ccc(O)nc2=O)C[C@H](c2ccccc2)C[C@@H](O)C1 643587377 BHTNWSAZXWYEJQ-HMSHQKHKSA-N 427.545 2.816 0 40 IFAB C[C@@](O)(C(=O)NC[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)c(Br)c1 1636128228 RJJBDZIDWSUDIE-YJYMSZOUSA-N 428.273 2.902 0 40 IFAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)C3CCCC3)C[C@@H]1CO2 1772594552 LCUUYNQXTNFEOS-LJQANCHMSA-N 438.528 2.992 0 40 IFAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1 6577666 PDMXPMZZDRHWNE-UHFFFAOYSA-N 425.539 2.648 0 40 IFAB COCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C 8677151 PKUDPWRXQZYAQC-UHFFFAOYSA-N 427.486 2.570 0 40 IFAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)C1=CN2CCS(=O)(=O)N=C2C=C1 8735303 HHQBCOHPONNFKA-UHFFFAOYSA-N 440.506 2.670 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 9263751 NQECPDKAQSYCHA-WMLDXEAASA-N 431.562 2.792 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc(OC)c(OC)c2)c1 9639660 FUZOILDAGGICNJ-UHFFFAOYSA-N 436.530 2.924 0 40 IFAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9723936 LIXVPSVNHYWIQO-UHFFFAOYSA-N 436.537 2.896 0 40 IFAB COc1cc(OC)cc(C(=O)N(c2ccc(OC)cc2OC)[C@H]2C=CS(=O)(=O)C2)c1 9833939 ZOQAEDAZKRZZAL-HNNXBMFYSA-N 433.482 2.679 0 40 IFAB O=C(CCCc1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851816 LFLZXBCJMCMEDV-UHFFFAOYSA-N 441.539 2.941 0 40 IFAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCNc1ccc(Br)cc1 10049430 HTEVPZFXUWDNAY-UHFFFAOYSA-N 445.321 2.558 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(C(=O)OC)cc2)n2nnnc2N3)cc1 10295957 KMQVOUVFASKWPB-LJQANCHMSA-N 445.439 2.716 0 40 IFAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)cc1 12062216 DKMNTQXRJONYRQ-LJQANCHMSA-N 432.524 2.978 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3F)n2)cc1 12479192 XBRTYZHHBAHZJE-UHFFFAOYSA-N 438.507 2.983 0 40 IFAB Cc1ncccc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 12738157 ZIEAGSSCHMHPHR-UHFFFAOYSA-N 434.949 2.853 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(I)cc1 12750011 LDKBLGTZUTUXRU-LJQANCHMSA-N 446.244 2.867 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(NC[C@H]3CCCO3)s1)OCO2 12761634 MANPTXCHBFGRJD-LLVKDONJSA-N 436.515 2.791 0 40 IFAB O=C(Nc1cc2c(cc1Cl)OCO2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12854862 QAAJRHYGBRHUND-UHFFFAOYSA-N 447.900 2.868 0 40 IFAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12898651 XQJCXZMZOXSUKA-UHFFFAOYSA-N 438.459 2.881 0 40 IFAB CCOC(=O)C1CCN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 13568380 CIVOACXUQQXNCZ-UHFFFAOYSA-N 430.954 2.688 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)NC4CCCCC4)nn23)cc1OC 13707121 OECUFHTUZMAHIQ-UHFFFAOYSA-N 440.504 2.819 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 13773567 HOMVOLFINOTHME-AWEZNQCLSA-N 431.489 2.567 0 40 IFAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 14094963 SARBOYCIFWPYGZ-SFHVURJKSA-N 446.598 2.798 0 40 IFAB COC(=O)c1cc(-c2ccc(OC)c(C)c2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850597 LVRZNYLDQBKGGN-HNNXBMFYSA-N 429.498 2.870 0 40 IFAB O=C(Nc1cccc(F)c1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 17190858 QBCSJAGQLQEMJD-UHFFFAOYSA-N 426.448 2.823 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3)[nH]c(=O)c2C1 19292803 LIBHCLDZEVLFEZ-IBGZPJMESA-N 442.466 2.710 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H](C1CCN(C(=O)[C@@H]3CCCO3)CC1)C[C@@H]2C(F)(F)F 19530952 PTRXRZIQPYYPDO-HRCADAONSA-N 444.454 2.765 0 40 IFAB COc1ccc(CN2CCO[C@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)cc1 19702661 KIILUBQLKXOLGS-IBGZPJMESA-N 441.553 2.943 0 40 IFAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)c2c1 20380869 COVYTTXLRHEDCQ-UHFFFAOYSA-N 425.510 2.778 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cccc(NC(=O)C2CC2)c1 21006272 INBSTTJPXZCFEO-UHFFFAOYSA-N 429.498 2.778 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1C 23053407 JCCXSBDDAJKINS-IBGZPJMESA-N 444.553 2.660 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCCCn2ccnc2)c1 23238654 UPYSJJINMKEPLH-UHFFFAOYSA-N 428.514 2.821 0 40 IFAB O=C(NCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 23394222 YYEWZNQXYVZTTE-UHFFFAOYSA-N 425.913 2.634 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 23685112 VEPVWMPUJNXJST-KSSFIOAISA-N 440.363 2.608 0 40 IFAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1 23989680 CCZFAEPHIXIHNE-UHFFFAOYSA-N 443.507 2.884 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 24834469 YVTJHVVDIBKJHW-MRXNPFEDSA-N 445.541 2.717 0 40 IFAB CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 31042713 KQJCYHHCBMVHIM-UHFFFAOYSA-N 430.549 2.767 0 40 IFAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(c4ccccc4)CC3)c[nH]c2c1 32094057 NLRHFKKDRLTNPR-YVSHKSEASA-N 448.479 2.695 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 32843035 WGHDEEWAECJISX-HSZRJFAPSA-N 432.524 2.636 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccccc1CC 38303440 NYIRIVUSRALZCD-SFHVURJKSA-N 435.484 2.841 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)Cc3csc(Nc4ncccn4)n3)sc2c1 49029394 IXZCKJHEZUKLMV-UHFFFAOYSA-N 446.539 2.871 0 40 IFAB COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 49406293 MCRGIWSGKQQPMQ-UHFFFAOYSA-N 447.539 2.856 0 40 IFAB COC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CCCC1 58005059 MTRWSYQBDRDHSB-CQSZACIVSA-N 442.965 2.976 0 40 IFAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)CC2=O)c1 58155700 WWEMAZFMVGIXLJ-OAHLLOKOSA-N 439.493 2.882 0 40 IFAB Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cn2)cc1 58247421 HXZLCOWYIKSGCB-IRXDYDNUSA-N 448.545 2.743 0 40 IFAB COc1cc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)nc2c(C)cc(F)cc12 72328803 QEKRIFRPZKEDQN-UHFFFAOYSA-N 435.455 2.745 0 40 IFAB O=C(CS(=O)(=O)c1cccc(Br)c1)NCC1([C@H](O)c2ccccc2)CC1 84522090 HSLVGWKVUHRWRZ-GOSISDBHSA-N 438.343 2.853 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1 89869476 AYWWNOHXXVIZEQ-BEFAXECRSA-N 427.998 2.925 0 40 IFAB CCN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 96145318 QUPWHTPLYHZYOV-IFMALSPDSA-N 428.558 2.585 0 40 IFAB CCCC[C@H](CC)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 96997129 AIIOBDAUANPUFH-PKOBYXMFSA-N 425.595 2.548 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100138190 CHVKMGCJFNTZNM-GJZGRUSLSA-N 446.511 2.744 0 40 IFAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(C(=O)O)cc1OC 170559021 KLJUFZYYDHOOSP-CYBMUJFWSA-N 428.441 2.711 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 220350376 ZRTUMDNFQSZKSJ-GOSISDBHSA-N 433.574 2.801 0 40 IFAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc(OC)c1)S(C)(=O)=O 220618351 OCNYXDVAESIYOY-IBGZPJMESA-N 434.514 2.974 0 40 IFAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220626715 HDSBPWZNIFANSY-FQEVSTJZSA-N 434.558 2.997 0 40 IFAB C[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222930419 GKIQJZRPJCHTPE-HNNXBMFYSA-N 430.526 2.938 0 40 IFAB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(OC)c(C)c1 224639735 RGSZVUDXRKPIJB-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224804026 JGUQBKMQXQLHAM-ZIAGYGMSSA-N 442.484 2.712 0 40 IFAB CCN(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cc(C)ccc1C 225934663 OVYHTPNHVQCPQF-UHFFFAOYSA-N 445.585 2.671 0 40 IFAB COc1ccc([C@]2(O)CCC[C@H]3CN(C(=O)Cn4ncc5ccccc5c4=O)C[C@H]32)cc1 248244669 LEMNJADUNOAKCR-QRJOEMBSSA-N 433.508 2.551 0 40 IFAB COc1cccc(CNC(=O)CCc2c(C)nc3cc([C@@H]4CCN(C(C)=O)C4)nn3c2C)c1 257211712 CAAVGROQVXEEKH-HXUWFJFHSA-N 449.555 2.940 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)Cc2cc(F)cc(F)c2)CC[C@@H]1Oc1ccc(F)cc1 257231270 GFZNSMVOSHSTLV-LIRRHRJNSA-N 442.459 2.579 0 40 IFAB C[C@H]1Cc2ccccc2N1CCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 260805449 DIOZLVRVHKMCDS-KRWDZBQOSA-N 433.549 2.545 0 40 IFAB COC(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 409267705 VYIDWSWILCFDPW-UHFFFAOYSA-N 441.303 2.640 0 40 IFAB C[C@@]1(c2ccc(CNC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2)NC(=O)NC1=O 586819653 PDOVKXLCBOBPDV-IBGZPJMESA-N 448.357 2.537 0 40 IFAB FC(F)(F)c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)c(Cl)c1 675719650 CGAIAEPSRUGDBN-UHFFFAOYSA-N 428.846 2.707 0 40 IFAB C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H]1Cc2cc(Br)ccc2O1 1180728733 HTIMKPRNTAQZQD-UYAOXDASSA-N 430.302 2.670 0 40 IFAB CC(=O)N1CCC(CC(=O)NCCc2nc(C)cs2)(N2Cc3ccccc3C2=O)CC1 1548347883 CHKJJUPYBIHATQ-UHFFFAOYSA-N 440.569 2.537 0 40 IFAB C[C@H](Cc1ccccc1)n1cccc1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1638887687 PFGMSORSRMZIST-NQIIRXRSSA-N 446.617 2.976 0 40 IFAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)n1 1726788 JATYGGDULCVEBM-UHFFFAOYSA-N 437.481 2.560 0 40 IFAB Cc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 3318726 FWCIWNRKQFEZLT-UHFFFAOYSA-N 436.555 2.948 0 40 IFAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C[C@@H]1CCCO1)C(=O)C(=O)NC1CCCC1 4895592 SAUWOMUTCULRKA-VQTJNVASSA-N 429.561 2.709 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 8269580 BWJVBODOTWUTSO-HNNXBMFYSA-N 425.485 2.835 0 40 IFAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 9124759 FHPVOHYPVPQSBE-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1 9194420 SVKVRSPPWGRJGZ-UHFFFAOYSA-N 445.907 2.803 0 40 IFAB CNC(=O)NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 9334395 CRBTWISQUXWRHZ-UHFFFAOYSA-N 446.916 2.829 0 40 IFAB Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@@H]2c1cccnc1 9422486 UPVFYRHVRHXCBE-FQEVSTJZSA-N 435.919 2.751 0 40 IFAB COc1cccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)c1OC 9429783 AZWIMQFYFQKYHN-PDGQHHTCSA-N 442.493 2.805 0 40 IFAB CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]31 9450016 CFPGWKCCBMMJHJ-ZAIUGYBXSA-N 430.888 2.809 0 40 IFAB Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)n1 9466522 JEPAGBJNZPDSAQ-UHFFFAOYSA-N 426.546 2.784 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)c(C)cc3OC)n2)cc1 9661026 XXXKKBAADRSDTJ-UHFFFAOYSA-N 443.525 2.523 0 40 IFAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 9741719 OQMJDXIMPJLKNL-UHFFFAOYSA-N 429.546 2.525 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)NC(=O)c2ccco2)ccc1Cl 9957208 GQDWNRZUFUJFMH-LBPRGKRZSA-N 427.910 2.721 0 40 IFAB CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9971551 DEBRKUHIIVXSND-QGZVFWFLSA-N 429.527 2.695 0 40 IFAB COc1cc2ncn(CCCC(=O)NCCn3c(C)nc4ccccc43)c(=O)c2cc1OC 10164218 MQALWGHVUAIDFR-UHFFFAOYSA-N 449.511 2.668 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CC[C@H](c4ccccc4)C3)CC2)Oc2ccccc21 12086268 UVWSGQKARWMQPE-UQBPGWFLSA-N 433.508 2.534 0 40 IFAB CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2nccn2C)C1 12087525 GRBBPKCHVIHZAE-DVECYGJZSA-N 437.544 2.557 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 12794140 DTFQIILKILBFJX-OAQYLSRUSA-N 427.482 2.647 0 40 IFAB Cn1c(=O)n([C@@H](Cc2ccccc2)C(=O)NCc2ccc(F)cc2)c(=O)c2ccccc21 13576630 DRSFMNCPGSZRLE-QFIPXVFZSA-N 431.467 2.940 0 40 IFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14163529 ABCSOJCKOMWSJQ-DEOSSOPVSA-N 434.496 2.999 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)sc2c1CCC2 14196318 NISRBBFPEKFHQS-UHFFFAOYSA-N 429.542 2.793 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)OCc1ccccc1 14797559 OTTYCURYFSYNNC-QFIPXVFZSA-N 445.523 2.663 0 40 IFAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CC2)CC3)c1 19234764 FZKFDOCDLOOJCN-NRFANRHFSA-N 434.540 2.669 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H](C)c3ccccc3)CC1)C2=O 19699362 WQPPDAJEXFSOEZ-GOSISDBHSA-N 426.561 2.578 0 40 IFAB CCS(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738917 FZKUZZGQRCGQIS-LJQANCHMSA-N 442.585 2.754 0 40 IFAB Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2S(=O)(=O)N2CCCC2)n1 19766702 BJLHKIVRJRKIJL-LJQANCHMSA-N 429.546 2.905 0 40 IFAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccccc1 22228639 AIPSNXNVNOYHDU-UHFFFAOYSA-N 429.542 2.595 0 40 IFAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N1CCC(c2ccccc2)=N1 22321179 VTBWKCGPGDUUNH-UHFFFAOYSA-N 441.491 2.971 0 40 IFAB CCc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccccc2)cc1 22715022 IGENJXDGXGIHTL-UHFFFAOYSA-N 438.553 2.985 0 40 IFAB Cc1nc2sccn2c1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 23141417 METLKOXWTOJTTK-UHFFFAOYSA-N 428.499 2.959 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccnc3-n3cccn3)CC2)cc1 23177253 AAWRJPYQSPBODB-UHFFFAOYSA-N 425.514 2.615 0 40 IFAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NCc1cn2ccccc2n1 23754969 FLOANWJUHJGPIM-UHFFFAOYSA-N 426.274 2.513 0 40 IFAB O=S(=O)(c1ccc(SC[C@@H]2CCCO2)nc1)N1CCN(Cc2ccccc2)CC1 24715697 MUXVLHRBRJYKAK-IBGZPJMESA-N 433.599 2.859 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 26908027 AOSOYBUXKGWAFU-OAHLLOKOSA-N 433.555 2.914 0 40 IFAB CCOc1ncccc1CNC(=O)CCn1cnc2ccc(Br)cc2c1=O 31325478 RTVGEXTVRKTOCA-UHFFFAOYSA-N 431.290 2.659 0 40 IFAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1OC 32478835 NBUYMLFRSHYNHD-UHFFFAOYSA-N 446.569 2.904 0 40 IFAB CCCCc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)cc1 32615408 NLMLZWVFZWPLMG-UHFFFAOYSA-N 443.507 2.934 0 40 IFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 32895262 IUJYKNXGUCVPDN-UHFFFAOYSA-N 447.467 2.519 0 40 IFAB O=C(CN1CCN(C(=O)CN2CCC[C@H]2c2cccs2)CC1)Nc1ccc(F)cc1 35278989 HYLLAVXULLTION-IBGZPJMESA-N 430.549 2.807 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)c(F)c1 35349144 NPXABBFCRCMBNT-UHFFFAOYSA-N 426.492 2.597 0 40 IFAB CSc1nnnn1-c1cccc(NC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c1 48324635 LJNOAXJGTFKNOG-UHFFFAOYSA-N 441.517 2.584 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 56945436 PNSKPADQZFZWGJ-OAQYLSRUSA-N 442.535 2.847 0 40 IFAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2nccnc21 64887524 RVJOPRTUKGWXNH-UHFFFAOYSA-N 449.898 2.910 0 40 IFAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)NCCCc3ccccc3)C3=C2C(=O)OC3)c1 67288821 QXEUDEQDRSZASA-HSZRJFAPSA-N 433.508 2.930 0 40 IFAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)c1C 67322525 KKMGTOQDVKAOCT-UHFFFAOYSA-N 437.456 2.647 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69930228 IPVCHUMUUOMRIJ-ZJSXRUAMSA-N 426.605 2.759 0 40 IFAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cc3c(cc1Br)OCO3)C2 72336795 PBYJZYIYPLADKT-UHFFFAOYSA-N 441.285 2.881 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cn(C)nc4C)C3)c2)cn1 72353659 JLKIRFXHIYYRBS-GOSISDBHSA-N 432.528 2.873 0 40 IFAB CCOc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)OC)ccc1OCC(=O)N1CCCCC1 78869321 SYMOHWGCVKWTJE-QZTJIDSGSA-N 432.517 2.548 0 40 IFAB NC(=O)[C@H]1CCN(C(=O)c2ccc(F)cc2NC(=O)c2cccc(Br)c2)C1 95360820 OMPBPXWLPOXAEO-LBPRGKRZSA-N 434.265 2.788 0 40 IFAB CCc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@@]32CCN(CC)C2=O)cc1 96144427 OLNOAJQIFFDKGP-RUZDIDTESA-N 440.588 2.707 0 40 IFAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96343940 IJLNOAFZQBDOTE-KRWDZBQOSA-N 435.503 2.836 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1C 216443617 QBIHDBGWNGSPQW-GOSISDBHSA-N 426.542 2.960 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 220041437 QPQHHGSZCRNSJY-UHFFFAOYSA-N 441.475 2.820 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220457876 YLBRLPUTDUUXBM-KGLIPLIRSA-N 442.484 2.712 0 40 IFAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)c(C)c1 223417182 GMXRMLWUXKBPBB-FQEVSTJZSA-N 432.542 2.906 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224221276 VKKBJLCNUIHXSF-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 225018001 RBFYVKYOKVPIGE-UHFFFAOYSA-N 435.571 2.504 0 40 IFAB Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCN(c4ccc(F)cn4)C3)cc2)n1 257229683 FZDIZNIQYYDYMF-XMMPIXPASA-N 439.535 2.844 0 40 IFAB COCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(OC)cc1 409214975 YXTJWANLUCKHSJ-UHFFFAOYSA-N 426.542 2.916 0 40 IFAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 534140390 SDYCZOWHKXJXBT-OALUTQOASA-N 437.540 2.966 0 40 IFAB C[C@@]1(c2ccc(C(=O)Nc3ccc4nc(CN5CCCCC5)[nH]c4c3)cc2)NC(=O)NC1=O 1116199589 QNCLXBSKTIHPSM-DEOSSOPVSA-N 446.511 2.856 0 40 IFAB CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)Oc2ccccc2F)CC1 1690853970 SCNYLQFPZPEVCM-KRWDZBQOSA-N 438.507 2.539 0 40 IFAB C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1CCc1c[nH]c2ccccc12 1692769230 QUMVVROXDPNILR-LBPRGKRZSA-N 444.483 2.611 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 780485 JOGOEROTNRKJBV-UHFFFAOYSA-N 426.513 2.924 0 40 IFAB COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)oc12 902031 MFKIGCSPOGKJRZ-UHFFFAOYSA-N 428.466 2.838 0 40 IFAB CCN(C(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3)[C@@H]1CCS(=O)(=O)C1 3502802 JLHZYHRJSXRUHR-CHWSQXEVSA-N 439.628 2.944 0 40 IFAB Cc1cnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)C2)s1 9134354 XZOAHGBDFWTBHN-HNNXBMFYSA-N 448.570 2.618 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 9191118 LPOCXNMPVXXLNR-QGZVFWFLSA-N 429.542 2.929 0 40 IFAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9219049 RBQHIMIQGNDOKG-NRFANRHFSA-N 431.558 2.804 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 9288606 NBNIRWCOSYSHGJ-KRWDZBQOSA-N 427.526 2.853 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 9336789 NFVQEVMLGPBQLM-UHFFFAOYSA-N 439.489 2.508 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3nc4ccccc4[nH]3)cc1O2 9421663 QBCXANURNDHSSY-UHFFFAOYSA-N 448.479 2.927 0 40 IFAB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(C(C)=O)c1 9508552 WJWFUEZSWSKKDC-QGZVFWFLSA-N 431.539 2.688 0 40 IFAB COc1cccc(CNC(=O)c2nnn(Cc3cc(Br)ccc3OC)c2N)c1 9749206 UXMKFBDXPVWBCR-UHFFFAOYSA-N 446.305 2.618 0 40 IFAB COc1ccc(-c2cnc(S(=O)(=O)CC(=O)NCc3ccc(Cl)cc3)n2C)cc1 9828781 YHWUHEGFBXLPML-UHFFFAOYSA-N 433.917 2.839 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1cc2ccccc2o1 9862128 ULXVDMVWTPQFOV-KGLIPLIRSA-N 448.570 2.508 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c1 11456127 YDYRDLQTWOLTKS-UHFFFAOYSA-N 426.450 2.922 0 40 IFAB COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)[C@@H](C)Oc3ccccc3F)n2)c1 11694464 MLXCEHDTZQTFFN-OAHLLOKOSA-N 441.459 2.650 0 40 IFAB CC1CCN([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c2ccco2)CC1 11998752 YYCWLRJMUQGEQP-LJQANCHMSA-N 445.541 2.549 0 40 IFAB COc1ccc(OC)c2[nH]c(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)cc12 12321228 IDIJXVBJFZCFET-UHFFFAOYSA-N 425.441 2.715 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cnc(SC)n2-c2ccccc2)NC(=O)N[C@@H]1CC 12628747 PLFCIBRMBROFDH-CQSZACIVSA-N 444.513 2.660 0 40 IFAB O=C1c2ccccc2C(=O)N1CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12633221 WKDQSHNJZMVIKO-UHFFFAOYSA-N 431.539 2.992 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 12992619 BWDMHOQNOPWGSH-UHFFFAOYSA-N 443.525 2.865 0 40 IFAB COc1ccc(C)cc1CN1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 13000820 JHGYVDUDGGNIGS-UHFFFAOYSA-N 437.592 2.711 0 40 IFAB Cc1ccc2nc(CN3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)cn2c1 13096163 PHQVACFIVUJKHH-UHFFFAOYSA-N 449.374 2.912 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1C 13566167 RNCSBFQVUJYUIK-UHFFFAOYSA-N 445.541 2.532 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)cc1 13582650 GKAYFLUINVXXBR-UHFFFAOYSA-N 436.486 2.529 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1 13983545 IDYFMMBZMAUYQT-UHFFFAOYSA-N 428.485 2.709 0 40 IFAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1ccc(-n2cnnn2)cc1 14184540 HQOYPWBTKGEYJR-UHFFFAOYSA-N 448.508 2.702 0 40 IFAB COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 15381074 ZZQNREWLNLAABB-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB COc1cc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCC4)n3)CC2)c(C)cc1C 17010304 LKAWQPRANPPDME-UHFFFAOYSA-N 445.589 2.522 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)C4CCC4)[nH]c(=O)c3C2)s1 19216982 CTTNJLLOORLPDR-QGZVFWFLSA-N 426.542 2.802 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19528996 VXPHEJOPOVQYHC-HSZRJFAPSA-N 436.537 2.710 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4ccnc(N(C)C)c4)C3)c2N)cc1 19584187 XKBMSBKNVCCGSC-QGZVFWFLSA-N 448.527 2.659 0 40 IFAB COc1cccc(-c2nc(Cn3c(=O)c4c(C)cc(C)nc4n(C)c3=O)c(C)o2)c1OC 19625559 IOMQCORCRVQOKT-UHFFFAOYSA-N 436.468 2.741 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C(=O)c3cnn(C)c3)nc2C)c1 19764364 HCMTZFLJKHFJKW-NRFANRHFSA-N 448.527 2.825 0 40 IFAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(SCC(N)=O)ncnc4c23)CO1 19947419 JIEJIVOJDCQHMH-UHFFFAOYSA-N 445.570 2.505 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 20453199 CQKOZGMRTIBHKY-INIZCTEOSA-N 448.541 2.890 0 40 IFAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 24831971 FQJLUGYRHZYLEL-UHFFFAOYSA-N 431.533 2.674 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCC[C@H](C)C2)C(C)C)c1 25967674 VTRPDXVYQMOJKY-PXNSSMCTSA-N 437.606 2.730 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1C 28210208 KBYGPJACZJMLHZ-FXAWDEMLSA-N 444.553 2.821 0 40 IFAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 28226944 MTBPMKJXBACMFE-LLVKDONJSA-N 447.259 2.673 0 40 IFAB CCOc1ccc(-c2nc(COC(=O)[C@@H]3CCCN3S(C)(=O)=O)cs2)cc1OC 32724149 QGHKTSCOAWGRTO-HNNXBMFYSA-N 440.543 2.685 0 40 IFAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)no1 32898909 OSHMANZWQYIQBN-AWEZNQCLSA-N 431.514 2.870 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1OC 44874883 SSBPQAKZUSDINS-UHFFFAOYSA-N 445.585 2.909 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N3CC(c4nc(-c5ccncc5)no4)C3)[nH]n2)c1 49032008 CQGMWCWWRPLPLY-UHFFFAOYSA-N 432.440 2.779 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 51317045 GECLOZUHXUDTHF-UHFFFAOYSA-N 431.452 2.600 0 40 IFAB Cc1cc(Br)c(NC(=O)CSc2nc(=O)[nH]n2C)c(Br)c1 57830415 GHNMGSWLCHGDFU-UHFFFAOYSA-N 436.129 2.673 0 40 IFAB C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 58139749 HYTHEVIYSNDMSN-LPHOPBHVSA-N 448.614 2.715 0 40 IFAB CCCCCCN(CCN1CCOCC1)CC(=O)NCCc1ccc(OC)c(OC)c1 72308248 IUNLNEFQBVBOOX-UHFFFAOYSA-N 435.609 2.577 0 40 IFAB CCOc1ccccc1N1CCN(c2ncc3c(=O)n(C4CCCC4)c(O)nc3n2)CC1 77100723 YUCQUIJKPRIMNG-UHFFFAOYSA-N 436.516 2.733 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C(=O)NCc1ccc(F)cc1 78877970 DNDUYHIFEXRJKJ-UHFFFAOYSA-N 436.281 2.610 0 40 IFAB Cc1cc(NC(=O)c2ccc3c(c2)[C@H](c2ncn(C(C)C)n2)CN3S(C)(=O)=O)ccn1 96267810 KOTUKCOEIYAXBD-GOSISDBHSA-N 440.529 2.726 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)n1 100457220 UTWVZMVBPOEJKA-QZTJIDSGSA-N 447.532 2.841 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 223060249 VWLVRUXNGHXCIO-UHFFFAOYSA-N 436.440 2.623 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1ccccc1Br 223695734 GCMOPKXQWHTJIU-UHFFFAOYSA-N 445.310 2.549 0 40 IFAB O=C(NCCOc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 224373028 ROCUCLKPBHLTKP-CQSZACIVSA-N 428.963 2.997 0 40 IFAB COc1cccc(-c2cc(C(=O)N3CCC(Oc4cc(C)n(C)c(=O)c4)CC3)n(C)n2)c1 238952367 XEZXETCUVZXJDO-UHFFFAOYSA-N 436.512 2.786 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CC[C@@H]1Oc1ccc(Cl)cc1 257235020 GWAUMJKBSLZWLA-SGTLLEGYSA-N 444.887 2.952 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CN(C)CC2 257254494 KDHHRUQTEBTURZ-IBGZPJMESA-N 449.599 2.879 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)C1 257299837 RRTZJNPFNWLFGP-SANMLTNESA-N 448.567 2.630 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260895076 GUHJKKBNGDVYEU-ROUUACIJSA-N 432.542 2.680 0 40 IFAB O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@H]2CN(Cc3ccc(Cl)s3)C[C@@H]12 306125253 CKQLWWCUWNDPJQ-KSZLIROESA-N 439.002 2.748 0 40 IFAB Cc1ccccc1CC(=O)N1CCO[C@H](Cn2nnc3c(Nc4ccccc4)ncnc32)C1 306131569 KIUGNYBCGOIJLT-FQEVSTJZSA-N 443.511 2.743 0 40 IFAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 408664453 QWRUOZDWMBJCKC-UHFFFAOYSA-N 443.456 2.563 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 408665447 RQGMJUTVVKDBHR-WPCMGHOJSA-N 426.513 2.841 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1OC 409060056 RXMVYCFDUDICDJ-VNGKGULCSA-O 448.474 2.859 0 40 IFAB CCn1c(CCNC(=O)N2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)nc2ccccc21 524823530 AAGKIFXLNCPZOW-PMACEKPBSA-N 426.609 2.799 0 40 IFAB Cc1cnc(CNC(=O)c2cn3c(n2)[C@H](C)N(C(=O)c2cc4ccccc4[nH]2)CC3)cn1 585096201 AZXMMVBFEUEOJD-HNNXBMFYSA-N 429.484 2.610 0 40 IFAB CCCN1CCN(C(=O)c2cnc(NC)nc2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585169000 ISPNVEPOPZPSAE-QHCPKHFHSA-N 443.551 3.491 0 40 IFAB Cc1ccccc1N1CCC(O)(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 585285923 FFGVLQNQJHQNGL-VWLOTQADSA-N 444.547 2.608 0 40 IFAB O=C1CN2CCN(C(=O)C3CC3)C[C@@H]2COc2ccc(-c3ccc(F)cc3F)cc2N1 1772594615 QCACEYDYEXLPIZ-QGZVFWFLSA-N 427.451 2.886 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928930 HTCYOGSSKDNRRZ-ZDUSSCGKSA-N 433.921 2.745 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1 2056226399 QGYULFNHUCNLCM-FYYLOGMGSA-N 432.467 2.650 0 40 IFAB COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC)[C@@H]1OC 5063187 FPGCYQVKNKEGRQ-CISJTURVSA-N 428.529 2.935 0 40 IFAB C[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl 6530724 CYJYOLWIHVNJIC-ZDUSSCGKSA-N 433.915 2.649 0 40 IFAB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1cccs1 8622942 SFBGHANYRHUWLH-JMPLCFMRSA-N 446.575 2.548 0 40 IFAB Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(=O)[nH]2)cc1C 8684062 AEBPQTPRFJFVRB-UHFFFAOYSA-N 429.523 2.950 0 40 IFAB COc1ccc(CCNC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 9442221 VGJBUFTUJVXLMK-UHFFFAOYSA-N 449.507 2.647 0 40 IFAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1 9442907 CLOXHPFGSABJQX-UHFFFAOYSA-N 448.472 2.853 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 9549403 IEFYSOOEGKZLEC-LJQANCHMSA-N 443.525 2.523 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC2CCCC2)c(C)c1 9745815 DAVDATFMTMFDGA-FQEVSTJZSA-N 449.617 2.720 0 40 IFAB CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1C(F)(F)F 9827448 MZZCAUFANYXCSR-UHFFFAOYSA-N 430.452 2.650 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)cc1 9828815 LDYLEYZRBGLOIR-UHFFFAOYSA-N 434.500 2.522 0 40 IFAB Cc1cccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 9849328 FQRQODVSBZDGRL-UHFFFAOYSA-N 431.475 2.549 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1 10186732 ZRGKXAHWLJGZAL-UHFFFAOYSA-N 449.536 2.865 0 40 IFAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1=O 11200499 CJEBTKWKVWHYRT-UHFFFAOYSA-N 432.436 2.667 0 40 IFAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 11768981 FKUADJYKAIZNCI-UHFFFAOYSA-N 446.554 2.718 0 40 IFAB Cc1nc2cc(C(=O)N3CCC4(CC3)C[C@@]3(CO4)NC(=O)c4ccccc4N3)ccc2n1C 12085463 RMBRCFYYTRYXEC-VWLOTQADSA-N 445.523 2.829 0 40 IFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccc(Br)cc1 13121009 FGBWENPRMMOAEH-UHFFFAOYSA-N 439.331 2.912 0 40 IFAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13508776 CNDAFWSHWGADFM-QHCPKHFHSA-N 447.495 2.557 0 40 IFAB CC(C)CN1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccccc2)C1=O 13688112 JKJMZYLQRSWSPE-UHFFFAOYSA-N 445.541 2.941 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2cccc(OC)c2)cc1 15391160 HLHIIXVJXRXVSW-GOSISDBHSA-N 432.542 2.954 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 15617647 UBDLUCDVZVHZFT-KRWDZBQOSA-N 442.603 2.697 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)C(C)(C)CS4(=O)=O)cc3)CC2)c1 15843133 NPQIKAYZEKBMGV-UHFFFAOYSA-N 441.553 2.660 0 40 IFAB O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1 16477122 WUAYGKZFQSTTNR-PMACEKPBSA-N 432.432 2.798 0 40 IFAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)Cn3nc(C)nc3C)CCNC2=O)cc1 19212880 DQCPPHZUNNYPLX-JOCHJYFZSA-N 431.540 2.688 0 40 IFAB COc1ccc2c(c1)C1=C([C@@H](c3cnn(C)c3C)O2)[C@H](c2cnn(C)c2C)n2ncnc2N1 19640699 AJYGEGYIHBRYLL-FCHUYYIVSA-N 444.499 2.930 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19689949 RDGIEANZWRPCCU-QGZVFWFLSA-N 430.509 2.608 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1OC 20005097 PLKKRACNOBFADM-LJQANCHMSA-N 432.542 2.652 0 40 IFAB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1 22249286 GLKBIUCKWXMAIQ-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)c(OC)c1 22252799 MELSRISDPKEWBZ-UHFFFAOYSA-N 438.502 2.759 0 40 IFAB Cc1nc(COc2ccccc2C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)no1 23700794 JMSKJTHBFPMFNF-UHFFFAOYSA-N 432.362 2.949 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2C(C)C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 24835027 NUIMEBYDWCRHKF-OAHLLOKOSA-N 436.925 2.871 0 40 IFAB C[C@H](C(=O)Nc1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1)n1cncn1 25294484 TVGNOIRGNZEJPO-CQSZACIVSA-N 439.497 2.980 0 40 IFAB Nc1nc(COC(=O)CSc2ccc3c(c2)OCCO3)nc(Nc2ccc(F)cc2)n1 26257172 SYCWWQHURGGJEJ-UHFFFAOYSA-N 443.460 2.943 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2ccccn12 26503955 ORBTVQKEZXMRBF-QGZVFWFLSA-N 430.306 2.563 0 40 IFAB Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)n(-c2ccc(F)cc2)n1 32858179 UVIOWGKRUULCFO-CXAGYDPISA-N 441.463 2.628 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2n1CCC2)c1ccc(F)cc1 40037547 UYNVKGWNIDFWLK-HXUWFJFHSA-N 446.486 2.502 0 40 IFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40149699 MAFUZSHVZRATHQ-JKSUJKDBSA-N 444.340 2.871 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1 44873814 AEXUZJNWGLBXOC-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)sc2c1 44902102 ZYXXFZYYJBKKQK-UHFFFAOYSA-N 440.506 2.562 0 40 IFAB Cc1oc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N1CCCC1 48285843 TYQIPCVYQZZHQP-ZDUSSCGKSA-N 431.514 2.748 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(C)c(C)c4)no3)C2=O)c1 49002701 BLEYRPWDQPMCOZ-MOPGFXCFSA-N 432.440 2.855 0 40 IFAB CCOc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(OC)cc4)CC3)nn2)cc1 49406524 LNIGHWNRRWSAKU-UHFFFAOYSA-N 449.511 2.709 0 40 IFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 57414453 XOVPOIWCNVXZCE-JOCHJYFZSA-N 437.496 2.543 0 40 IFAB Cc1noc(CNC(=O)C2CCN(C(=O)CSc3nc4ccccc4s3)CC2)n1 70655623 ZBOAQGSWOXTTIY-UHFFFAOYSA-N 431.543 2.635 0 40 IFAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)Cc4cn(C)nc4C)nc32)c1 72371035 AEMNFMSPQPGFJL-UHFFFAOYSA-N 448.571 2.989 0 40 IFAB Cc1occc1-c1nnc(S[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)o1 78253975 BNPZORCYUNZBQC-MRXNPFEDSA-N 428.518 2.894 0 40 IFAB O=C1c2ccccc2C(=O)N1CCCc1nnn(CCOc2ccc(C(F)(F)F)cc2)n1 78991394 FJLVRLGLNWYJDB-UHFFFAOYSA-N 445.401 3.000 0 40 IFAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCN[C@H](CCc1ccccc1)Cc1ccccc1 95943599 WAVPTRYWKSAIBB-HXUWFJFHSA-N 445.610 2.857 0 40 IFAB CCCOc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OCC 95951208 VYLSZUNHMIBHHM-XMHGGMMESA-N 435.505 2.913 0 40 IFAB Cc1ccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)cc1 96145917 AXVYRRAEIGHYHL-VXKWHMMOSA-N 443.613 2.973 0 40 IFAB CO[C@@H]1CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@H]2[C@@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)[C@@H]1O 100060546 VMCFTVWDHVWSOB-VWPBVISISA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro CSc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)c1 101169272 FHFIIQBCRGZIQV-SJORKVTESA-N 431.424 2.619 0 40 IFAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2N2CCCN12 102706696 PMSDETNOPBQOLI-CEXWTWQISA-N 442.313 2.993 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc2c(c1)OCO2 113481464 RUYBZGDMIYFSPF-KBPBESRZSA-N 443.550 2.653 0 40 IFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC 206805486 VOQOJYNVSFIOQW-DZGCQCFKSA-N 443.880 2.871 0 40 IFAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 222915540 KDLWGWFNNHIHFW-UHFFFAOYSA-N 446.569 2.771 0 40 IFAB CCOc1ccccc1CNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 222921188 YJKQHWDVLQYCBR-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(I)cc1 223316919 LIFOHIXOYAABNJ-UHFFFAOYSA-N 430.223 2.835 0 40 IFAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)c1 223912098 IQXVUFBUXLKCFU-UHFFFAOYSA-N 431.470 2.661 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1C(=O)NC(C)C 224813611 RCWNVIRARAGHMG-UHFFFAOYSA-N 447.557 2.655 0 40 IFAB COc1cccc2ccc(CN3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)nc12 257287048 POHAAVYGDQXOGW-SFHVURJKSA-N 435.528 2.819 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1C 408661435 VVJYZBKNPMYNAH-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1 520759255 LEZLBTWDQLXBEC-HXUWFJFHSA-N 425.452 2.958 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccccn1 585262342 QACFIILIKZWKMN-NGSHPTGOSA-N 429.520 2.819 0 40 IFAB COCCN1C(=O)CC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n2nccc21 1772596189 RDLGBRXREZEALS-UHFFFAOYSA-N 436.434 2.917 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC[C@H](N(C)c3ncccc3C(F)(F)F)C2)nc1C 1889197007 NAQPAMFVZAQYQD-AWEZNQCLSA-N 431.484 2.915 0 40 IFAB COCCCNC(=O)c1c(N)n(-c2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2246624 QJIBFUAUVACXQI-UHFFFAOYSA-N 435.484 2.939 0 40 IFAB O=C(Cn1cc(Br)cn1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2804755 MFKCXICBVPGQCS-UHFFFAOYSA-N 442.320 2.542 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 3481330 UCHOWQATCKKAPP-SFHVURJKSA-N 436.917 2.983 0 40 IFAB COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(OCc2ccccc2)cc1 4108351 LNRRHEGBTGNKRX-FBHSLPMESA-N 426.465 2.651 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1=O 5192093 SBZANOSMZBLOIR-ZWGBCBFGSA-N 426.513 2.676 0 40 IFAB NC(=O)C1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1 6509373 ZZZGWQJWJVECTJ-UHFFFAOYSA-N 425.554 2.994 0 40 IFAB CC(=O)N[C@@H](CC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1 8965979 PGFIWBJYRQGZIH-NRFANRHFSA-N 441.509 2.964 0 40 IFAB COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1 9124323 QPFIAPYMCKOIFM-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 9386796 YLLDJNNESPUODR-JOCHJYFZSA-N 440.887 2.871 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@H]2CCCO2)s1 9514721 JAUPHXOFFPEHPI-QWHCGFSZSA-N 433.559 2.985 0 40 IFAB CC(C)N(C(=O)COC(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)n1)C(C)C 9539688 KHSXJRPZJXLZCI-UHFFFAOYSA-N 449.548 2.686 0 40 IFAB Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2ccc(Br)s2)no1 9634771 IMSFSVGWAJPRLJ-UHFFFAOYSA-N 433.305 2.905 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)CCCC3)NC(=O)N[C@H]1C 9637082 KHMRJFWEWFXQRU-AWEZNQCLSA-N 428.485 2.590 0 40 IFAB COCCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1cc(OC)cc(OC)c1 9934317 NLXYBYSMVNMXGT-HXUWFJFHSA-N 441.484 2.825 0 40 IFAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1-c1ccccc1O 10103779 SBVDSMBFMAGOMB-UHFFFAOYSA-N 435.871 2.854 0 40 IFAB CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(C(=O)OC)Nc3nnnn32)cc1 10232359 VQEIRBAASUYWLF-HXUWFJFHSA-N 449.467 2.578 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 11566451 GPOGQMCAUMKCQM-UHFFFAOYSA-N 441.347 2.977 0 40 IFAB COc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc(Cl)c4)cnc32)cc1 12071396 KDQXTTJJOSSONB-UHFFFAOYSA-N 437.887 2.733 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 12085424 KDTGOIRUBPNGEY-XMMPIXPASA-N 437.496 2.651 0 40 IFAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 12196553 XQPRILPOPAMHHC-HNNXBMFYSA-N 427.320 2.759 0 40 IFAB CCn1c(=O)n(CC(=O)c2cccc(OC)c2)c2c(C(N)=O)nc(-c3ccc(C)cc3)nc21 12276785 RXWIITYXWYWEGC-UHFFFAOYSA-N 445.479 2.579 0 40 IFAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12628250 NLOSVPJPGPBNGW-AWEZNQCLSA-N 442.497 2.531 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2ccc(F)cc2)CCC1 12814794 NSCMWRWHYYPWEF-UHFFFAOYSA-N 448.516 2.916 0 40 IFAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cn2ncsc2=S)CC1 12927402 JZQHZBIUDQXYSU-UHFFFAOYSA-N 425.388 2.945 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)c1 13000898 CXBNSRFTGKDPQF-UHFFFAOYSA-N 446.617 2.848 0 40 IFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(C)c2C)no1 13505882 SEYHQYGDBOIKSH-SFHVURJKSA-N 442.516 2.647 0 40 IFAB COc1ccc(CCc2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)cc1OC 13718399 BFFKURAZKWAKRW-UHFFFAOYSA-N 449.492 2.784 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3)n2CC)s1 13956074 CVMOCQUIMJGWRB-UHFFFAOYSA-N 445.574 2.932 0 40 IFAB CCOC(=O)Cc1csc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)n1 18526495 CICZQFIOTVGBTD-UHFFFAOYSA-N 436.555 2.943 0 40 IFAB O=C(N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 19341908 LVIWRESYCXWKIC-PZJWPPBQSA-N 441.601 2.854 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2ccncc2)CCO1 19529311 DABZMPPOZXASRC-VWLOTQADSA-N 430.508 2.734 0 40 IFAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1OC 20728963 QPUIZUIZPSPLQY-MRXNPFEDSA-N 428.485 2.751 0 40 IFAB CCCOc1ccc(N(CC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 22401161 YDFDFWPYNUNODE-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NC[C@H]1CCCO1 22781878 JLKOOQMDJMQAQR-JOCHJYFZSA-N 429.511 2.967 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(C[C@H](O)COc3cccc(Br)c3)C2=O)c1 24086924 YETOCZQFJRDXBO-YWZLYKJASA-N 449.301 2.665 0 40 IFAB CCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O 24770939 XWXRNEVCBQKAFF-UHFFFAOYSA-N 446.891 2.735 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 25457763 HHEMFGZGADKIOE-IBGZPJMESA-N 436.541 2.788 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCCc2ccccc21 28643990 ZTXQMUAETZXQRX-HNAYVOBHSA-N 430.526 2.709 0 40 IFAB Cc1nc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)sc1C 32071969 GHFCCFTXODGCEY-KRWDZBQOSA-N 426.542 2.990 0 40 IFAB O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1nc2ccccc2s1 32073929 PHUPWIAPYFNALQ-ZDUSSCGKSA-N 426.473 2.933 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1NC(C)=O 32933528 MTODUBSGESPURJ-UHFFFAOYSA-N 428.470 2.513 0 40 IFAB CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)c(C)s1 36594903 RSVNRMFMUVXOQN-NVXWUHKLSA-N 446.598 2.989 0 40 IFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c(=O)c32)c(F)c1 38828197 BRNWCNXQKGDXKW-HZSPNIEDSA-N 427.480 2.764 0 40 IFAB O=C(CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)CC1)Nc1cccc(F)c1 58169954 HHUXJRSIJIVRAO-SOFGYWHQSA-N 439.487 2.783 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1 72327095 AUSUGTSEDCCOFE-UHFFFAOYSA-N 435.528 2.622 0 40 IFAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@@H](c3nnc(C(F)(F)F)o3)C1)CS2 77197843 IZLUYEQTABRATG-VXGBXAGGSA-N 443.451 2.705 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(c4ncccn4)CC3)n(C)n2)c1 77200886 LHYQOCMQZWOQAC-UHFFFAOYSA-N 436.516 2.541 0 40 IFAB CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1C[C@@H](OCC)C12CCCCC2 78874816 MLTYONIJLBDASB-RTBURBONSA-N 442.560 2.612 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2cccc(OC)c2)no1)N(c1ccccc1)S(C)(=O)=O 219089216 WTQYAUMMYSDDDC-GOSISDBHSA-N 444.513 2.606 0 40 IFAB COC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(C)cc1 223392353 XKUPWFHQXOAIKS-OAHLLOKOSA-N 436.530 2.602 0 40 IFAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 224517380 WDZPEVHPUHIODU-GOSISDBHSA-N 445.585 2.762 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225572550 KGLQPZPKFJCVRM-UHFFFAOYSA-N 426.498 2.793 0 40 IFAB CC(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccn12 306142829 XLLKEDSXFZQMAL-NRFANRHFSA-N 445.523 2.616 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 408562404 ZOTSJBWKNJSJCY-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB C[C@H](C(=O)NCCSc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704542 PHNYVCJKFDXIDU-OAHLLOKOSA-N 436.555 2.521 0 40 IFAB Cc1nc(C)c(CN2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 585102202 PAGSOSKJXZNMNJ-RXVVDRJESA-N 437.512 2.714 0 40 IFAB O=C1[C@H](NC(=O)N2[C@H]3CC[C@H]2CC(CCO)C3)CCN1c1cccc(Br)c1 1686304118 PIKRGMAAPFNWOX-OKZBNKHCSA-N 436.350 2.889 0 40 IFAB CC(C)c1nc2ccccc2n1CCCC(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1 2037884113 YNVRCHFXSHWMMN-DEOSSOPVSA-N 436.560 2.830 0 40 IFAB Cn1nccc1CN1CC[C@@H]2CN(S(=O)(=O)c3ccc4ncsc4c3)C[C@@H]2CC1 2056223575 TWDURTPLHOFTPN-IYBDPMFKSA-N 431.587 2.563 0 40 IFAB Cc1nc(N2CCN(c3ccc(=O)n(Cc4ccc(F)cc4)n3)CC2)cc(C(F)(F)F)n1 2298076110 DDDYUFLSMPWGAJ-UHFFFAOYSA-N 448.424 2.875 0 40 IFAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2)CC1 2975372 GUPKRCARXJWFBD-UHFFFAOYSA-N 438.509 2.527 0 40 IFAB CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6501419 QOWLWZZTOPSEKP-OAHLLOKOSA-N 447.536 2.838 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 8272804 YKVOPGBJQMKYJR-AWVSAENJSA-N 429.517 2.868 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)C2=O)cc1 8643490 GORZVTBMYRPZHW-NRFANRHFSA-N 438.875 2.635 0 40 IFAB CCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 9316189 KBRNKVXJVWMYGL-UHFFFAOYSA-N 428.514 2.699 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccccc1 9391648 DHAQSDRMYVTXOT-MJGOQNOKSA-N 449.532 2.909 0 40 IFAB biogenic CCOc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1S(C)(=O)=O 9517133 LUCOZOCCMPSAKG-SFHVURJKSA-N 437.543 2.568 0 40 IFAB COc1ccc(-c2nc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)cc1OC 9868949 GGCAXDIPWJNVRN-UHFFFAOYSA-N 441.509 2.947 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 10008942 OROHUXMJVNVDGA-UHFFFAOYSA-N 428.894 2.916 0 40 IFAB CN1CCN(n2c3c(c(SCc4ccc(Br)cc4)nc2=O)CCC3)CC1 10255152 BSOVSLZFTOYWIM-UHFFFAOYSA-N 435.391 2.670 0 40 IFAB Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nn12 11696269 ONHTVYXMCHQKFD-UHFFFAOYSA-N 434.525 2.611 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCc1ccccc1Cl 12086593 QCZUNYGLPASGJZ-QHCPKHFHSA-N 441.915 2.530 0 40 IFAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 12220966 GIAOJOVFEGZBOU-LPHOPBHVSA-N 425.577 2.998 0 40 IFAB COc1ccccc1N1CCN(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1 12590210 FXIMBOADNRXBHA-UHFFFAOYSA-N 442.991 2.815 0 40 IFAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12740581 XNOSMRIXFMFDQI-CQSZACIVSA-N 446.598 2.964 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccncc2)CC1 12791602 FTHNLHDWEBVFSR-UHFFFAOYSA-N 428.558 2.609 0 40 IFAB COC(=O)c1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(=O)OC)c1 12801706 OKWGEGMCABOQFS-UHFFFAOYSA-N 442.512 2.921 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCC(c4nncn4C)CC3)cc2)C1 12974903 ZASDJSLJQUOPFC-IAGOWNOFSA-N 445.589 2.502 0 40 IFAB CSCc1c(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)oc2ccccc12 13134642 AJIXZMWJTIGEFZ-UHFFFAOYSA-N 434.495 2.739 0 40 IFAB COC(=O)Cn1c(=O)c2c3c(sc2n(CCCc2ccccc2)c1=O)COC(C)(C)C3 13609980 XZVAWMVZRIBJQG-UHFFFAOYSA-N 442.537 2.882 0 40 IFAB CC[C@@H](NC(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C)C(=O)Nc1ccccn1 13686607 UBLHTDVALRKENW-CQSZACIVSA-N 426.473 2.746 0 40 IFAB CC(C)N(CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(C)C 14190535 XMCJLTVXZJIQCC-UHFFFAOYSA-N 441.502 2.595 0 40 IFAB Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C 16795117 PASKQPWYPAOYKY-IRXDYDNUSA-N 435.480 2.573 0 40 IFAB COc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)cc1OC 16843619 DWKADEHAZIAVLN-UHFFFAOYSA-N 443.529 2.972 0 40 IFAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccc2c(c1)OCO2 17204089 VAJKFNAMZKVHKU-UHFFFAOYSA-N 436.493 2.635 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2ccccn2)CCO1 19529279 YMIKUBINFWUZRX-VWLOTQADSA-N 430.508 2.734 0 40 IFAB Cn1cc(C(=O)N2CC[C@@H](c3ccc4c(NCCc5ccccc5)n[nH]c4n3)C2)ccc1=O 19705152 OYPIXLUAHKBAKT-GOSISDBHSA-N 442.523 2.941 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 19751885 JFQLIIHCJKMPQL-FQEVSTJZSA-N 426.492 2.693 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 21686711 HQMVMLMQWJHVDU-CQSZACIVSA-N 439.921 2.591 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 22510395 DOLRXAHSZCBJBF-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB CCCn1nc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)ccc1=O 22526704 RFXXQJILVQQCMW-UHFFFAOYSA-N 437.500 2.932 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)N3CCN(Cc4cccs4)CC3)c(C)n2n1 23736580 VWENTIDCCMJFLC-UHFFFAOYSA-N 430.603 2.802 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2c[nH]c3ccccc23)CC1 23883144 DNKFHEVBVCFYDZ-UHFFFAOYSA-N 427.526 2.836 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)c1 24260574 IQVAGWZRAAUQFQ-UHFFFAOYSA-N 428.260 2.808 0 40 IFAB COc1ccc([C@H](CNC(=O)NCCc2cccc(F)c2)N2CCOCC2)cc1OC 29723987 CVUUMRGXKUZZRU-FQEVSTJZSA-N 431.508 2.758 0 40 IFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cccc(OCc3ccccn3)c1)CC(=O)N2 36360499 LVXQLINETNPKMC-SFHVURJKSA-N 428.452 2.712 0 40 IFAB COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@@H](C)c2nc(C)no2)cc1OC 58139149 XLXMIGIMGCRBCH-ZDUSSCGKSA-N 440.456 2.904 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1=O 60064696 QHQQLPBEIDVEQD-WIYYLYMNSA-N 437.540 2.585 0 40 IFAB CC(C)C[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)c1nnc2ccccn12 96117511 QKEGTPZJUFTKKY-IBGZPJMESA-N 434.475 2.996 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@H](C)n3nc(C)c4ccccc4c3=O)cc2n1 100138996 DADYXMRFNVFNLL-KXBFYZLASA-N 432.484 2.686 0 40 IFAB COc1ccc(OC)c2c1CN(CN1C(=O)[C@@H](C)N(c3ccc(C)cc3)C1=O)C[C@@H]2O 105637644 ZZOBLQWYPSUENP-QAPCUYQASA-N 425.485 2.676 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 220168806 WUDXEUZCNHZWSJ-HNNXBMFYSA-N 433.530 2.627 0 40 IFAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-n1cnnc1 223526833 SCAZZFNGUYNAHS-NHCUHLMSSA-N 430.541 2.971 0 40 IFAB C[C@@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1ccccc1F)S(C)(=O)=O 224630116 JDSZMUXHGJJGNP-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)c1 225514852 PUKYOMBQTNIECC-GOSISDBHSA-N 440.525 2.762 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccnc(-c3cccs3)c2)cc1 225653701 CBKBWZMCLILYDU-UHFFFAOYSA-N 427.507 2.942 0 40 IFAB Cc1ccc(CN(C)C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 225672695 CHHWLSADWQXLPY-UHFFFAOYSA-N 432.542 2.971 0 40 IFAB O=C1C[C@H]2N(S(=O)(=O)C3CC3)CC[C@@]2(c2ccccc2)CCN1Cc1ccccn1 306142690 XGMWNDZGDIXPEJ-FYYLOGMGSA-N 425.554 2.709 0 40 IFAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCCn1ccnc1 408617654 CZUGWRLOHJLMSJ-UHFFFAOYSA-N 446.960 2.934 0 40 IFAB CCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 408635870 IRTCXWCIGIVZKV-UHFFFAOYSA-N 434.558 2.819 0 40 IFAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408675661 BKEZGBOKVZQDEC-NGDYUJMBSA-N 430.504 2.562 0 40 IFAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc1OC 409012292 QDHNEIOLYYPRRW-SEJMYLSOSA-N 437.470 2.625 0 40 IFAB COc1cccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1OCC(=O)Nc1ccccc1 409123836 FBZYEVISRJFCJN-MHWRWJLKSA-N 442.449 2.834 0 40 IFAB C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 545477353 LOGJAMIBLZLMFL-CYBMUJFWSA-N 427.302 2.921 0 40 IFAB O=C(NCc1nc(-c2ccc(N3CCCC3)cn2)no1)[C@H]1c2ccccc2C(=O)N1C1CC1 546496229 MZZCZQZVMFJLRA-OAQYLSRUSA-N 444.495 2.708 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CN(C(=O)c1ccncc1)C2 1549166217 BNSQEMGXWNVOFP-OAQYLSRUSA-N 432.524 2.547 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1OC 1775974816 RIKMGKBJCUSCJX-UHFFFAOYSA-N 447.435 2.745 0 40 IFAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)nc1C 1888920852 XMSCNTMESNSEGD-HDICACEKSA-N 442.589 2.899 0 40 IFAB CN(C)C(=O)CN1CCC2(CC1)C[C@@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)C2=O 2037873326 AHISOJKPFIUESM-LADGPHEKSA-N 435.568 2.692 0 40 IFAB COc1ccc(OC)c2sc(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2087147319 WPYMZXVMDISUPO-CQSZACIVSA-N 427.473 2.776 0 40 IFAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 1325701 XSKSQELSXCMUTN-UHFFFAOYSA-N 436.530 2.744 0 40 IFAB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccccc4OCC)sc3nc2=O)cc1 2333796 LWGBDQPKAZLSAW-QNGOZBTKSA-N 449.532 2.837 0 40 IFAB CC(=O)c1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 3354595 MDYWDWZZTXQXCX-UHFFFAOYSA-N 436.917 2.597 0 40 IFAB NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 6577664 XGEZMXGREMLKHQ-UHFFFAOYSA-N 425.539 2.523 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(Br)c3)C(C(=O)[C@@H]3CO3)=N2)cc1 8691097 YCFBQVVNYQQKNC-IRXDYDNUSA-N 449.326 2.870 0 40 IFAB O=C(CSc1ccccc1C(=O)OCC(=O)N1CCNC1=O)NC1CCCCCCC1 9350606 PLRTYIFEJIBFOO-UHFFFAOYSA-N 447.557 2.716 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(F)cc1 9380894 QKVVOKBCHUMAPF-GOSISDBHSA-N 425.507 2.698 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 9416562 IIASITCXGHRFQU-UHFFFAOYSA-N 430.468 2.796 0 40 IFAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)N3CCOCC3)[C@@H]2c2cccs2)cc1 9603559 ULYQMXYALCNEFC-XMSQKQJNSA-N 442.537 2.943 0 40 IFAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9836822 WNRYRIZLRZXXMI-UHFFFAOYSA-N 438.553 2.988 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(OC)cc2)n2nnnc2N1 10231921 BROACIMZQNXVGA-QGZVFWFLSA-N 425.832 2.660 0 40 IFAB CCC(CC)C(=O)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 11665905 IRYDFQGFWNMAOK-UHFFFAOYSA-N 439.539 2.844 0 40 IFAB Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C[C@]3(CO4)NC(=O)c4ccccc4N3)[nH]n2)o1 12085488 LONJKMDUEZFZMR-XMMPIXPASA-N 447.495 2.925 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O 12522357 ZYOVSNUSTOTFLU-QMHKHESXSA-N 428.533 2.599 0 40 IFAB O=C(CSc1nnc2[nH]c3ccccc3n12)N1CCN(C(=O)Nc2ccccc2)CC1 12542036 UTDACYINKWJWGL-UHFFFAOYSA-N 435.513 2.679 0 40 IFAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12634312 BMCHCFWZKKXJFH-MRXNPFEDSA-N 449.523 2.639 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 12788421 CIPHNTKVSZKBLN-UHFFFAOYSA-N 432.329 2.824 0 40 IFAB COc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O 12896703 IKGLSQKPYQOTPN-HZLPDVBGSA-N 443.503 2.822 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c1 15284862 VKZFDOWRNGSJIG-KRWDZBQOSA-N 429.498 2.851 0 40 IFAB COc1ccc([C@H](CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)N2CCOCC2)cc1 16045429 PGDPJKNMADOCOZ-UXHICEINSA-N 443.569 2.551 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O 16046082 NZFGKNPAGCSEEM-SFHVURJKSA-N 449.248 2.697 0 40 IFAB C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCC(C(=O)N2CCOCC2)CC1 16340066 XPBBZVMOWBSPOI-ZDUSSCGKSA-N 445.894 2.839 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 17200690 OYIBWMPPRFNCIY-NRFANRHFSA-N 437.477 2.748 0 40 IFAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)o1 18416988 OYHFCSNPUJVGSV-LJQANCHMSA-N 434.290 2.776 0 40 IFAB Cc1cn(CC(=O)N2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(=O)NC(C)C)C2)nn1 19238743 JCPUSIMGEDJNEZ-RUZDIDTESA-N 446.555 2.635 0 40 IFAB O=C([C@H]1CN2CCC1CC2)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19293330 FCVIGRRBYCWMEU-IRXDYDNUSA-N 436.434 2.997 0 40 IFAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 19562223 OQYZYEIZSYRAIV-WOJBJXKFSA-N 427.497 2.851 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 19568115 ZPKFAPPQBZCQKU-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O 19763446 BRCZZLKSLYDSFF-MRXNPFEDSA-N 442.947 2.992 0 40 IFAB CN1C(=O)C[C@@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)[C@H]1c1ccccc1 20427309 JOCUEBGLTXSEOI-RDTXWAMCSA-N 429.523 2.858 0 40 IFAB CCCCN1C(=O)[C@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20756821 WNYSZEZUHUALTK-OYSWMMLKSA-N 442.519 2.931 0 40 IFAB CCn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)c2cc(OC)ccc21 22235931 SRCFNAWOTGVWDA-UHFFFAOYSA-N 449.507 2.717 0 40 IFAB Cc1ccccc1N(CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)S(C)(=O)=O 23639618 BZIJUOJTIJRCRE-UHFFFAOYSA-N 435.977 2.759 0 40 IFAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 24261842 NVEDCGGFEYTLPL-UHFFFAOYSA-N 447.538 2.914 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)c1C 25499301 LZAMGGMVTSVHAW-OAQYLSRUSA-N 432.586 2.666 0 40 IFAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCO1 26398685 NMSVXUCSVPNQQU-LRDDRELGSA-N 436.361 2.577 0 40 IFAB O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC[C@@H](C(F)(F)F)C1 32721289 CJHWLTSEXMFDQN-GFCCVEGCSA-N 440.871 2.775 0 40 IFAB O=C(c1ccc(I)cc1)N1CCN(C(=O)N2CCCCC2)CC1 32900289 PDIWWVDEYKCWCP-UHFFFAOYSA-N 427.286 2.655 0 40 IFAB CN(Cc1cccnc1)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 32909544 ZYQWNSFSRMTLEV-UHFFFAOYSA-N 439.493 2.926 0 40 IFAB Cn1cc(C(=O)N2CCCC2)c(O)c1-c1nc2cc(NC(=O)[C@@H]3CCCO3)ccc2n1C 36370029 PODXBBBNXUYWCY-SFHVURJKSA-N 437.500 2.638 0 40 IFAB biogenic CC(C)CN(C(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 36799712 KJJXVRIRVQUKDP-UHFFFAOYSA-N 428.320 2.779 0 40 IFAB COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c(OC)c1 51316683 KXDKZMMGTHTNLN-UHFFFAOYSA-N 437.481 2.857 0 40 IFAB COc1cccc(NC(=O)COc2cc(CC(=O)NC3CC3)nc(-c3ccccc3)n2)c1 57522503 GLXPJQHGVOBPPJ-UHFFFAOYSA-N 432.480 2.991 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(-c1ccccc1)cn2C 67235329 WENJFPUXQKBUFM-SFHVURJKSA-N 444.535 2.843 0 40 IFAB Cc1cc(-c2cc(=O)n(CC(=O)NCCN3CCC[C@H](C)C3)nc2-c2cccs2)on1 72337285 OAZZXFYRKULIDD-HNNXBMFYSA-N 441.557 2.783 0 40 IFAB Cc1ccc(NC(=O)CSCC(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 89635003 OOIISAXNXFANTM-NRFANRHFSA-N 437.525 2.886 0 40 IFAB NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 89768277 JUYIEPNBQSSMCH-GOEBONIOSA-N 441.981 2.679 0 40 IFAB COc1ccc(Cc2nnc(NC(=O)C[C@@H]3NC(=O)c4ccccc4N=C3O)s2)cc1 94992952 IHYKJZQESWVPPU-INIZCTEOSA-N 437.481 2.866 0 40 IFAB COc1cn(CC(=O)NCCc2ccccc2)c(CN2CCc3ccccc3C2)cc1=O 95477054 GFVGCEMMTMYQOI-UHFFFAOYSA-N 431.536 2.774 0 40 IFAB COc1cc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1OCc1ccccc1 103138379 YLAUDMHCLYLUEP-PMACEKPBSA-N 434.492 2.842 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2C)cc1 107721708 ZGLBZZZMOHOJQC-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222436086 IYBCTKFBLFEFLY-IBGZPJMESA-N 445.585 2.559 0 40 IFAB COc1ccccc1CCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 222583874 BXXKOBMNLGNJKC-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)c(OC)c1 223766926 VJSPJFPARRAXDA-UHFFFAOYSA-N 446.485 2.533 0 40 IFAB COc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1N1C(=O)CCC1=O 224983567 GBCMUGKSQUONGZ-UHFFFAOYSA-N 442.415 2.846 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2nc(-c3cccc(Cl)c3)no2)S(C)(=O)=O)cc1 225062960 DTNPJRIYXSGXJY-UHFFFAOYSA-N 448.932 2.776 0 40 IFAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1cccc3cccnc13)CC2 257251033 JPCPLEWUKZDLJS-QGZVFWFLSA-N 430.512 2.601 0 40 IFAB Cc1nonc1CNC(=O)C[C@@H]1CCCN(C(=O)c2c(C)nc3ccc(Cl)cn23)C1 257344269 ZWJGDKXNAQLWRM-AWEZNQCLSA-N 430.896 2.546 0 40 IFAB Cc1nc(CN2CC[C@]3(CN(C(=O)C4CC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306123721 AUPFUFICHNNDLK-PGRDOPGGSA-N 427.574 2.984 0 40 IFAB CCc1ccc(N(CC(=O)N[C@@H](C)COC)S(=O)(=O)c2cc(C)ccc2OC)cc1 408626471 ZAORCEFRIKNLBN-KRWDZBQOSA-N 434.558 2.912 0 40 IFAB COc1ccc(-c2nc(CNC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)cs2)cc1 575608645 HADBMMQBOVTVJO-UHFFFAOYSA-N 447.524 2.547 0 40 IFAB CC1(C)COCCC[C@H]2CN(Cc3cnc[nH]3)CC[C@H]2CC(=O)N(CC2CC2)C[C@@H]1O 1534604417 FNAZVKBIILMMDR-ONTIZHBOSA-N 432.609 2.674 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)c4ccc(F)cc4C)CC3)n2)n1 1775969810 LWFUPAQMYSIIES-UHFFFAOYSA-N 445.520 2.519 0 40 IFAB O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)NC1CCCC1 902378 KNOQAJMTEXRKPH-UHFFFAOYSA-N 436.559 2.672 0 40 IFAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 909858 FHMBWJSBPNTWNK-IBGZPJMESA-N 429.498 2.850 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1OC 3610769 AJXCTFPXGXWOFS-VWLOTQADSA-N 447.491 2.940 0 40 IFAB COC(=O)C1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 8879617 HQWBFPHNMYVVLZ-UHFFFAOYSA-N 437.448 2.956 0 40 IFAB biogenic CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O 8902064 CCSWWMVEYGWXKI-LFVRLGFBSA-N 438.459 2.747 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccc(Cl)cc3)n2Cc2ccccc2F)n(C)c1=O 8926318 PWJSIQCPSLHMEG-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB Cc1ccc(C(=O)c2c(NC(=O)COC(=O)Cn3cncn3)sc3c2CCCC3)cc1 9172158 BODBZUKRTROMEO-UHFFFAOYSA-N 438.509 2.940 0 40 IFAB O=C([C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1)N1CCOCC1 9238525 ACZXBTYKWZKKES-QZTJIDSGSA-N 425.489 2.702 0 40 IFAB O=C(Cn1nnc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9245351 IXVHWKFPNSEFGI-UHFFFAOYSA-N 433.921 2.898 0 40 IFAB C[C@@H](Sc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C)C(=O)Nc1nccs1 9263446 SLQHSWIFXORBMY-SNVBAGLBSA-N 436.950 2.974 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 9467953 BVMZUQWISGJBCQ-UHFFFAOYSA-N 433.505 2.677 0 40 IFAB O=C(c1cccc(Cl)c1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849245 WWOWQZFMQFQILI-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB CSc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851847 AKFINRMPXPQEFS-UHFFFAOYSA-N 445.552 2.954 0 40 IFAB COc1cc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc2c1OCCO2 9982943 IBWBUQMBTZJIJS-ZZXKWVIFSA-N 436.386 2.994 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C(=O)C4CC4)CC3)cc2)cc1 10092441 WACMBFOPIUVOND-UHFFFAOYSA-N 441.553 2.515 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1Cl 10111281 HMSUDUGJIRUCJY-INIZCTEOSA-N 446.013 2.885 0 40 IFAB COC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 10382152 MFLINDRBUYWBND-QGZVFWFLSA-N 426.450 2.749 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11795860 QSAKRFDFIUBZFB-MRXNPFEDSA-N 447.538 2.719 0 40 IFAB COc1ccc2c(c1)C=C(CN1CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC1)CO2 12089476 AKLCFQROMBHAMD-HSZRJFAPSA-N 441.553 2.913 0 40 IFAB Cc1ccnc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1 12534157 VQZJVXWDYSWOBN-GOSISDBHSA-N 431.558 2.859 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12867714 KJNHTFQCNLRVHS-OAHLLOKOSA-N 439.940 2.954 0 40 IFAB COc1ccc(CCN(C)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 12915246 UTNPEPCMRVFBKE-UHFFFAOYSA-N 438.528 2.615 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3ncc(C)s3)cc1O2 13728058 DCUXOJBVIIDIAD-UHFFFAOYSA-N 429.498 2.815 0 40 IFAB COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 14229799 JGWSQLMTKUNFAA-UHFFFAOYSA-N 425.304 2.773 0 40 IFAB CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 15547555 ZEVQDGHJWHOXRX-MRXNPFEDSA-N 437.587 2.955 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)N[C@@]12C(=O)Nc1ccc(C)cc12 16027111 YSPQCOHYEDVYBI-RYSXHEAUSA-N 429.904 2.802 0 40 IFAB biogenic Cc1cc2ccccc2n1CC(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1 16559900 AEHYDOFCOGTTRL-UHFFFAOYSA-N 434.539 2.529 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]([C@H](NC(C)=O)c3ccccn3)C2)cc(OC)c1OC 19020300 QPMHFQGZONBCRN-KKSFZXQISA-N 427.501 2.837 0 40 IFAB O=C(CN1Cc2ccccc2C1=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19375564 RULYKHQMHGCJRZ-UHFFFAOYSA-N 444.520 2.841 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)CCc2ccccc2OC)nc2c1CCN(C(C)=O)C2 19707358 VDUUSYHIVBFJPE-HXUWFJFHSA-N 437.544 2.728 0 40 IFAB CN(C)S(=O)(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 19745099 PWPZCOPBAMNALO-UHFFFAOYSA-N 432.525 2.695 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1ccccc1 20283530 RLDDOENZNMXSGH-QFIPXVFZSA-N 438.503 2.819 0 40 IFAB CCn1cc(N(Cc2ccccc2Cl)C(=O)c2c(C(=O)O)cnn2C)c(C(=O)O)n1 20615823 JKFXFMSPANWSRO-UHFFFAOYSA-N 431.836 2.533 0 40 IFAB O=C(O)/C=C/c1cc(Br)cc(I)c1OCC(=O)O 22077361 DCSATGWJDWJKQP-OWOJBTEDSA-N 426.988 2.615 0 40 IFAB O=C1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2N1 22417301 RTABJJSBWMRQHB-AWEZNQCLSA-N 433.917 2.726 0 40 IFAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1cccnc1N1CCOCC1 32017515 QZZKPHUKRLERFI-UHFFFAOYSA-N 444.944 2.833 0 40 IFAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 32073889 YIBBYMIFBAWHGE-KRWDZBQOSA-N 434.294 2.565 0 40 IFAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 32736787 CFZOTTUGVRXDKZ-FQEVSTJZSA-N 428.510 2.779 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 32760557 KSFDLAIXTAGJNC-GCJKJVERSA-N 448.571 2.939 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4cccnc4)CC3)c3cnn(C)c3n2)cc1 36613383 HZNIPLGVAWLRSA-UHFFFAOYSA-N 442.523 2.997 0 40 IFAB CC(C)OC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 38216512 WJWHJJCWHNPKTH-MQBSTWLZSA-N 430.545 2.772 0 40 IFAB in-vitro COCc1nn2c(nnc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40396168 GVWNDHFIZLRBQS-UHFFFAOYSA-N 427.848 2.771 0 40 IFAB COc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(C)cc4)ccc3=O)CC2)c1 41252831 PVGPJGZETKHKQC-UHFFFAOYSA-N 432.524 2.966 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(NC(=O)c2cc(C)on2)s1 42379175 ONCFOGSBOLJKKE-UHFFFAOYSA-N 447.498 2.994 0 40 IFAB O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1 49406015 IIUXFQYTOFFIPT-UHFFFAOYSA-N 425.439 2.509 0 40 IFAB CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(C(=O)NC)cc3)cc2c1C 58245618 YQCBOCIXYKUBKL-UHFFFAOYSA-N 433.511 2.942 0 40 IFAB C[C@](O)(CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)CN1CCOCC1 72306610 XCIJVHLQCPPDCN-DEOSSOPVSA-N 425.504 2.642 0 40 IFAB Cc1ccc(C2(CN3CCC(NC(=O)CCCN4C(=O)CNC4=O)CC3)CCCC2)cc1 72393532 PZMMXHXXCXGSCP-UHFFFAOYSA-N 440.588 2.719 0 40 IFAB Cc1cccc(NC(=O)CSCC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c1 89672799 SAYZTILPRFANKF-PGRDOPGGSA-N 429.517 2.894 0 40 IFAB O=S(=O)(c1cccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c1)N1CCOCC1 95966259 BIHCYRFBVILJSU-IBGZPJMESA-N 436.599 2.950 0 40 IFAB COC(=O)c1ccc2c(cc(I)n2S(=O)(=O)c2ccccc2)n1 96321334 KAKNDHIALQXUPB-UHFFFAOYSA-N 442.234 2.665 0 40 IFAB CCNC(=O)Cn1c(=O)/c(=C/c2ccc(Cl)cc2Cl)s/c1=C/C(=O)C(C)(C)C 96794454 LBUSMICCBWFJGI-HURSXHGLSA-N 441.380 2.577 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)cc1 208190155 GLTDUOHUWOPDNP-ZGXDEKTJSA-N 443.503 2.822 0 40 IFAB biogenic CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 222882151 JEDMSJOMQPCEME-UHFFFAOYSA-N 443.569 2.673 0 40 IFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223196371 LFCDCVMZWJSJLI-QHCPKHFHSA-N 441.547 2.624 0 40 IFAB C[C@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 224775084 GWDIKWMPXBVXDY-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1OC 225470661 ORRYTOCISHRDEE-CQSZACIVSA-N 435.318 3.000 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 245053553 OZUFSSKGATYEOV-UHFFFAOYSA-N 434.415 2.590 0 40 IFAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCc2nc(C3CCN(C4CCOCC4)CC3)nc(O)c2C1 247794153 BQVRWDZNERSIJN-NGRWLJPCSA-N 440.588 2.862 0 40 IFAB Cc1cccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)n1 257296193 RBQMGWRBPBAKFU-GNKBHMEESA-N 437.584 2.818 0 40 IFAB CCCN1C(=O)CO[C@@H](C(=O)NS(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 257306908 SWNRRSCFKFABTM-RTBURBONSA-N 436.917 2.524 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 257337506 YTAVMCCXYRGBOI-RPWUZVMVSA-N 435.568 2.726 0 40 IFAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409059989 UBCZUARZSZEQJG-LMOLPZMTSA-O 448.474 2.859 0 40 IFAB CCc1c(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cnc2c1c(=O)n(C)c(=O)n2C 514008817 RUQQVVXLTAOLFX-AREMUKBSSA-N 446.551 2.705 0 40 IFAB O=C(/C=C/c1cc(F)ccc1F)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148545 YBHMAXZVYPBNQY-DAFODLJHSA-N 431.361 2.796 0 40 IFAB O=C1NC[C@]2(CCCCCOc3ccccc31)CCCN(C(=O)CCN1CCCC1=O)C2 643559669 YLJHWDOXKWXZAM-VWLOTQADSA-N 441.572 2.991 0 40 IFAB Cc1ccc(CNC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)c(N2CCOCC2)c1 1545542795 DFFZHCXFPSNBSJ-UHFFFAOYSA-N 443.548 2.520 0 40 IFAB CCn1ccc(NC(=O)[C@@H]2CN(C(=O)c3ccc(Cl)c(N4CCCC4)c3)CCN2C)n1 1848353535 MQWCFHWUKPMWKI-IBGZPJMESA-N 444.967 2.552 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 789462 LXRPVVNNBNLQMX-UHFFFAOYSA-N 436.917 2.786 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)c5ccccc5)C4)nc32)cc1 1334369 KMGSGQSWIMVTAU-LJQANCHMSA-N 428.496 2.891 0 40 IFAB CC(C)(C)NC(=O)NC(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 3295486 LIIFAYSYUSXOGU-UHFFFAOYSA-N 426.882 2.650 0 40 IFAB Cn1c(NCc2ccccc2Cl)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C 8642831 BVAIJXUWDIGCMG-UHFFFAOYSA-N 427.867 2.887 0 40 IFAB O=C(COC(=O)CSc1nc2ccccc2o1)NC(=O)Nc1ccc2c(c1)OCCO2 8824699 BJGFPLNUBSOLFM-UHFFFAOYSA-N 443.437 2.583 0 40 IFAB COCCN1C(=S)N(c2cc(C(F)(F)F)ccc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 9061180 HQBOKXDQAJGRPX-QWHCGFSZSA-N 428.885 2.578 0 40 IFAB COc1ccc(Nc2nc(N3CCN(c4ncccn4)CC3)nc3c2C(=O)CCC3)cc1 9419928 CFZXYFLELKUDSB-UHFFFAOYSA-N 431.500 2.864 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccccc1 9441906 GJOQJEWCAHXMTP-UHFFFAOYSA-N 429.542 2.928 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)n2N)cc1OC 9442155 KJVUKYFHZKNUFJ-SQWLQELKSA-N 433.578 2.633 0 40 IFAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)c1 9525765 RGSHBYMMVPAWDO-UHFFFAOYSA-N 431.445 2.841 0 40 IFAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)COc2cccc3ccccc23)CC1 9934649 RKNLXAXDSGFDTN-UHFFFAOYSA-N 439.537 2.939 0 40 IFAB CCOCCCn1c(C)cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 10271954 XOJFPYFEMWITAW-UHFFFAOYSA-N 429.908 2.586 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc(C)c1C 11083633 QEWAAHCFGQHZIG-UHFFFAOYSA-N 426.542 2.729 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@H](C)C(=O)Nc3ncc(C)s3)CC1)O2 12086663 CYRGCYPHMQCHNZ-QRQCRPRQSA-N 442.541 2.661 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C(C)C)n1 12231530 WXZFKDGWUQQPTP-UHFFFAOYSA-N 426.908 2.982 0 40 IFAB CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 12768764 NCSHSSUCFPLMTK-AWEZNQCLSA-N 428.514 2.756 0 40 IFAB NC(=O)C1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 13504793 VJSRTRKNFCCLPU-LJQANCHMSA-N 428.899 2.801 0 40 IFAB COc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c1 13505814 TWTSSKVJOGBWQH-UHFFFAOYSA-N 428.489 2.802 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)c1ccc(OCc2ccccc2)cc1 13671806 ZABYPHHIYVZWEH-UHFFFAOYSA-N 445.585 2.634 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1 15042731 MBEWJRKPODLTOB-AWEZNQCLSA-N 430.482 2.758 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 16124323 IUOYYDDTODUNEW-UHFFFAOYSA-N 440.543 2.679 0 40 IFAB CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1cc(C)ccc1OC 16678296 REYBCUFMMPJYAF-UHFFFAOYSA-N 449.548 2.502 0 40 IFAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19078288 CMVDSHZZEIKMCQ-KJWYOANISA-N 435.475 2.983 0 40 IFAB O=S(=O)(c1ccc(F)c(F)c1)N1CCO[C@@H](c2nc(Cc3ccccc3F)no2)C1 19349725 HJUJCTOJKAPFDQ-QGZVFWFLSA-N 439.415 2.840 0 40 IFAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2Cc1ccccc1 19706550 YGCRFFYATCDTGF-IBGZPJMESA-N 429.590 2.724 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)c2c(OC)cccc2OC)nc2c1CCN(C)C2 19708440 ZPQDMSSZPNHBBY-QGZVFWFLSA-N 425.533 2.891 0 40 IFAB CN(c1ccc(OCC(=O)NCCc2ccccn2)cc1)S(=O)(=O)c1cccs1 21773984 RTLOFQFGNQPFKY-UHFFFAOYSA-N 431.539 2.706 0 40 IFAB COc1cccc(OC)c1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22227125 PSMJFCSVEGYWQZ-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB COc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c(OC)c1 22333484 WGMMOJAYULXONR-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB CN(C)[C@@H](CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccsc1 23133140 KSLLVJCLALXDNC-SFHVURJKSA-N 448.614 2.766 0 40 IFAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 32731854 OLBVXHKFWNUPGA-FQEVSTJZSA-N 445.585 2.847 0 40 IFAB Cc1cc(CN2CCN(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)CC2)no1 32741384 UPWWZWNXNWQELA-UHFFFAOYSA-N 443.507 2.699 0 40 IFAB Cn1c(=O)oc2cc(S(=O)(=O)Oc3cccc(C(=O)NCc4ccccc4)c3)ccc21 32755429 BYWKFLZADXSRPT-UHFFFAOYSA-N 438.461 2.829 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 32826775 UIXQOWDRSUKPDS-UHFFFAOYSA-N 425.411 2.979 0 40 IFAB C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCCc2ccccc21 32860349 FMPRJSSESWYPKG-MRXNPFEDSA-N 428.510 2.751 0 40 IFAB COc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 35290053 MSJRWWUGFSDAHK-UHFFFAOYSA-N 433.507 2.941 0 40 IFAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 36398844 IAPURFYWWVBNBM-GJZGRUSLSA-N 434.566 2.871 0 40 IFAB COc1cc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc(OC)c1 57428831 RDJRLZOZPMKAKJ-UHFFFAOYSA-N 437.477 2.870 0 40 IFAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)NCCCc3ccccc3)C3=C2C(=O)OC3)c1 67288824 QXEUDEQDRSZASA-QHCPKHFHSA-N 433.508 2.930 0 40 IFAB COc1ccc2c(ccn2CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 72402459 YCDFIPIENICCJF-LJQANCHMSA-N 441.553 2.867 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 77192086 IYWIMIWDLBTYID-UHFFFAOYSA-N 440.481 2.772 0 40 IFAB CCO[C@H](C)c1noc(CN2CCCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 78950339 HGCNSMNQQXXFPJ-RBUKOAKNSA-N 429.565 2.722 0 40 IFAB CC1(C)CN=C(N2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)CC2)S1 78969374 LTENUPKXHGWQHC-CQSZACIVSA-N 429.359 2.614 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3cccnc3)C(=O)[C@@H]12 100813924 KQCJXOWIFYILBM-LQNCWFGHSA-N 438.094 2.848 0 40 IFAB COc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 101257462 RBVSWOBLSLLPHR-DKSLOQFJSA-N 437.492 2.787 0 40 IFAB CCN1C[C@@H](CN(C)C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)Oc2ccccc21 109036960 SYIPVXAMMQYVTP-CTNGQTDRSA-N 438.507 2.650 0 40 IFAB CCOc1ccccc1CCCNC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219442712 MMNUGKVAWFGVKN-UHFFFAOYSA-N 430.526 2.759 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222500670 XJWBQLMNYHFAJA-CYBMUJFWSA-N 426.922 2.942 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2nnc(SCC(C)C)s2)Oc2ccccc21 222962582 GEPRGERVFWFOQA-AWEZNQCLSA-N 442.588 2.842 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4ccc(C)cc4)no3)ccc21 223311866 QZSUPNBUEKCAIQ-UHFFFAOYSA-N 426.498 2.823 0 40 IFAB CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1)S(C)(=O)=O 223862727 HUGCOGYLRQRHCK-HNAYVOBHSA-N 438.571 2.512 0 40 IFAB Cc1cccc(OCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1C 223954917 PSEDMLUFPXIUAO-HNNXBMFYSA-N 426.485 2.931 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)ccc1OC 224674031 CNBIRMDZVCVRCO-UHFFFAOYSA-N 445.585 2.909 0 40 IFAB Cc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O 225459975 OHOGUKFHJQQZFQ-IBGZPJMESA-N 445.585 2.703 0 40 IFAB Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1cccc(F)c1 226817833 QFXYQAUNVUXHAD-UHFFFAOYSA-N 440.250 2.823 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 253373998 KWHQIRAETNQNAD-USTRSKKPSA-N 438.572 2.978 0 40 IFAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 257258769 KVLUHMCDAFWZEW-BZSNNMDCSA-N 446.573 2.882 0 40 IFAB CC(C)N1CC[C@H](c2c(CNC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cnn2-c2ccccc2)C1 257276271 NTBHFSUZDNIRTC-VQTJNVASSA-N 437.588 2.943 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(NC(C)=O)c3)C2)cc1 408584315 OAPBTNXVPPGSCJ-MRXNPFEDSA-N 431.514 2.693 0 40 IFAB Cc1cc(Cl)ccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 409024962 OHTCGCALWKARCS-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@@H](Cc2cccc3[nH]ncc23)C1 585261887 KJHYFMCCZSTKLM-IBGZPJMESA-N 434.540 2.726 0 40 IFAB O=S(=O)(CCNc1ncnc2cc(Br)sc12)NCc1ccccc1 1650634468 VRJOBGDAAMXJKG-UHFFFAOYSA-N 427.349 2.985 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595281 JOGZXISXFIMSPR-OAQYLSRUSA-N 438.503 2.893 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](COc4ccc(C(C)(C)C)nn4)C3)nn2)n1 1888900951 LJROCVVXUPTHFC-QGZVFWFLSA-N 435.532 2.908 0 40 IFAB CCOC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 1013496 CMKCUMNBOZASHU-FOIQADDNSA-N 432.263 2.901 0 40 IFAB O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1 2460757 XLWVKIXPIOBILT-UHFFFAOYSA-N 432.933 2.534 0 40 IFAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2)c2cccnc2)cc1 9006550 LAQRAPRIEHSZAP-OAQYLSRUSA-N 426.494 2.800 0 40 IFAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NC[C@@H]1COc2ccccc2O1 9387910 RFQCTMNMNQRCNQ-OAQYLSRUSA-N 432.476 2.952 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccn2C)sc(C(=O)N(CC)CC)c1C 9442411 XWWVACVCIXDCKQ-UHFFFAOYSA-N 449.529 2.849 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 9806145 UQRLAOXMUYAHNU-QGZVFWFLSA-N 435.933 2.556 0 40 IFAB COc1ccc(C)cc1N1CCCn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 10102343 URXGJABWOJLKIZ-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c(c1=O)S[C@@H](C)C2 11726521 QDNKSBHEHASARV-JTQLQIEISA-N 427.498 2.935 0 40 IFAB Cn1ccnc1[C@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)cc1 12507111 JNCOANOQIMQYII-GOSISDBHSA-N 443.935 2.924 0 40 IFAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cnn1-c1ccccc1 12927003 QAAQBNSUFBGPBW-UHFFFAOYSA-N 444.944 2.981 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)c(C)c1 12986563 JESNIOAOLQNSKD-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)COC[C@@H]4CCCCO4)C3)cc2n1 13225636 QWFQWPWHNDAGTJ-CABCVRRESA-N 426.439 2.958 0 40 IFAB COc1ccc(OC)c([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)c1 13606993 NLBUSGYDKDNNBP-FRQCXROJSA-N 442.365 2.947 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 14663028 RBOCHORCWVEZJP-UHFFFAOYSA-N 446.525 2.830 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 15615209 PGWYGXGZURPSLK-QGZVFWFLSA-N 446.525 2.911 0 40 IFAB CCCNC(=O)[C@H](C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15970323 CFPVYVPWJQGPJO-UPNLOYSTSA-N 430.508 2.669 0 40 IFAB biogenic COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)cc1 16955128 RCIBUGPNKDPBEU-UHFFFAOYSA-N 444.373 2.643 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(-c2ccc(C)cc2C)c1=O 17015470 OVAWTBPTWMJYQS-OAQYLSRUSA-N 432.480 2.573 0 40 IFAB biogenic O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(Cc4ccncc4)C3)[nH]c(=O)c2C1 19342781 BEDCHVQRIPABLT-QGZVFWFLSA-N 435.553 2.805 0 40 IFAB COc1cccc(CN2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)c1OC 19567670 QHIMXMOSCSMEAZ-SFHVURJKSA-N 429.517 2.980 0 40 IFAB CCOCc1ccc(C(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19692690 QVRRBFJURVXSHO-OAQYLSRUSA-N 448.527 2.750 0 40 IFAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1 19867701 XLGQUSYZDWYGQP-UHFFFAOYSA-N 427.526 2.522 0 40 IFAB CN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)n(-c2ccc(Cl)cc2)c(=O)n(C)c1=O 20756613 KIUQPFCYGGEVMJ-HXUWFJFHSA-N 436.899 2.954 0 40 IFAB biogenic Cc1cc(Cl)ccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228962 UNWOFKHLPWEABB-UHFFFAOYSA-N 449.960 2.730 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCCCC1 24391962 RSZSTBABONWKQV-INIZCTEOSA-N 434.562 2.607 0 40 IFAB O/C(=C(\C(=S)NCCN1CCOCC1)[n+]1ccccc1)c1ccc(OC(F)F)cc1 25228900 PGYBFILOODCSAF-UHFFFAOYSA-O 436.504 2.709 0 40 IFAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC)cc1 25512953 FBEHSXZVVCBYCZ-FQEVSTJZSA-N 432.542 2.906 0 40 IFAB COc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cc(OC)c1OCC(N)=O 25628495 YJYLDQMFVXPPCS-UHFFFAOYSA-N 435.383 2.670 0 40 IFAB CN(C)Cc1nc(COC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cs1 32818883 DVTWLBICYSXQPS-UHFFFAOYSA-N 432.571 2.988 0 40 IFAB CC(=O)O[C@H]1C[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccc(O)cc3)C=C(C)C[C@H]2O)[C@]1(O)C(C)C 35271436 KHLABRVSJLTKHQ-KSSSERLJSA-N 432.513 2.974 0 40 IFAB biogenic,in-vitro Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)CCN3C(=O)CCCC3=O)ccc1O2 38678373 WASRTEMMJQZNTP-UHFFFAOYSA-N 443.481 2.634 0 40 IFAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4cccc(C)c4C)CC3)snc2c1=O 49409848 CIKAZIXJBMPLAK-UHFFFAOYSA-N 441.557 2.526 0 40 IFAB COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1OC1CCCC1 58175638 KWRUZXOAEZMJFA-PXNSSMCTSA-N 433.549 2.875 0 40 IFAB CC(=O)NCCc1ccc(C(=O)CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)cc1F 59009372 NZFVQRPLLSMWBG-CYBMUJFWSA-N 429.423 2.683 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)NCCSC3CCCC3)cc2)CC1 65520880 JENWOJVYYHVMMT-UHFFFAOYSA-N 440.635 2.810 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 72377755 ZKHJEGBLGUQEEY-OAHLLOKOSA-N 426.502 2.587 0 40 IFAB NC(=O)[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 89774390 NZKDUMVMICTASF-FZMZJTMJSA-N 442.722 3.000 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1 96103634 CQTAAUFMSPKNFZ-UHFFFAOYSA-N 429.498 2.960 0 40 IFAB NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 102343050 FAFACZRCKUAPOB-GARJFASQSA-N 435.329 2.949 0 40 IFAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)s2)cc1F 105571614 BIVOPTAIZAAEHP-YXUGBTPSSA-N 425.485 2.927 0 40 IFAB COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2I)n1 148304891 VWEMYHDJVJQLKH-JTQLQIEISA-N 444.277 2.682 0 40 IFAB CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 219284688 WFAIGJJPGJFXJD-KRWDZBQOSA-N 444.962 2.996 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224916039 OOVITDGHEKREED-MRXNPFEDSA-N 445.541 2.851 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 225011210 JRONJOSLZJTVLG-OAQYLSRUSA-N 447.557 2.715 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247716887 NWANDGFJGLFONL-BDXSIMOUSA-N 428.275 2.994 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2CCC[C@@]3(C)[C@H]2CCCCN3C(C)=O)c1 257266278 MCHARDNBAZHJQZ-GGAORHGYSA-N 430.549 2.848 0 40 IFAB Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)CC(C)(C)CC(=O)O)CC3)c2n1 257290020 QBECJCQHKIHGHN-UHFFFAOYSA-N 428.533 2.619 0 40 IFAB COCCN1CC[C@]2(CN(Cc3ccc(OC)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306124958 CDFQHECLKIXGQL-ZJSXRUAMSA-N 426.561 2.937 0 40 IFAB CC(C)n1cnc([C@@H]2CN(Cc3cnn(C)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306128781 HKGAYZMTQAKJJD-XUZZJYLKSA-N 433.560 2.611 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccc(OC)c4)C[C@@H]2C3)cc1 306141029 VJHNNBAGNOQEGT-ZWKOTPCHSA-N 433.512 2.852 0 40 IFAB CCOc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1 408574294 LNULDKUFZHDISD-UHFFFAOYSA-N 432.517 2.927 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccc(F)cc2)cc1 408622572 PFVNAJHGOCXFIM-UHFFFAOYSA-N 444.532 2.728 0 40 IFAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c(-n2cnnn2)sc2c1CCC2 524734088 VDKWHGAQNAMZQZ-UHFFFAOYSA-N 426.521 2.746 0 40 IFAB Cc1cc(C)c(C)c(O[C@H]2CN(Cc3ccc(OCCN4CCNC4=O)cc3)C[C@@H]2O)c1 585268840 SMGNRNULZYPVIE-UPVQGACJSA-N 439.556 2.640 0 40 IFAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2cccc(OCCn3cccn3)c2)C1 585274778 NSMVFLMZRBQUPC-DEOSSOPVSA-N 441.503 2.744 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCn1ccnc1 604403966 GIFJABRHDMBCKY-QFIPXVFZSA-N 429.480 2.595 0 40 IFAB biogenic COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2cc(OC)c(OC)cc2OC)c1O 1547212353 QOWRWUCKQZHYEF-INIZCTEOSA-N 449.500 2.620 0 40 IFAB CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)Cc1c(C)nc(O)nc1O 1625557581 FEJYSCQIFMYCAM-HNNXBMFYSA-N 438.322 2.655 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CC=CCc2ccccc2OCC(=O)N3C)c(=O)n1C 2037818687 MEJQPUGMQIJSHL-FGZHOGPDSA-N 449.551 2.707 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CCN(c4ncccc4F)CC[C@H]3C2)c1 2056224750 TXCGTWMGMWWUMA-IYBDPMFKSA-N 435.521 2.775 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 937631 CSHIHWDAKKGCQR-UHFFFAOYSA-N 429.498 2.623 0 40 IFAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)NCCN4C(=O)CSC4=O)c23)C1 2624187 CLEURBGBQHAFHU-JTQLQIEISA-N 436.584 2.720 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 3321929 SCSUQXQGPOQSHN-KRWDZBQOSA-N 434.489 2.778 0 40 IFAB O=C(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12)c1cccs1 5440223 VUOKKEZFCQAGML-RNIPGJKVSA-N 426.473 2.721 0 40 IFAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NCCCOC)c1 6026360 FDSDYEZQBKSDJI-UHFFFAOYSA-N 428.624 2.640 0 40 IFAB CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6501310 IRFXJPPTPQVIQI-CQSZACIVSA-N 447.561 2.563 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3cccs3)CC2)cc1OC 8988305 STNRRVJQRHBABZ-UHFFFAOYSA-N 438.571 2.621 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 9042494 JFPWEJKDXXSSSY-VVBPWWLESA-N 443.544 2.748 0 40 IFAB COCCCn1c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 9449851 BGUHYJQVVQUDHD-UHFFFAOYSA-N 434.496 2.933 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H]2COc3ccccc3O2)c1 9632473 BGOGVUWUZHPGOU-CQSZACIVSA-N 438.933 2.940 0 40 IFAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 9980711 KLIJNALXERTMOE-ZDUSSCGKSA-N 438.527 2.670 0 40 IFAB COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 10273612 VGTBVNWFLYLDPB-SFHVURJKSA-N 434.901 2.903 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2CCCc2ccccc2)n1 12231406 JXVDKMNDOBHVGM-UHFFFAOYSA-N 434.544 2.988 0 40 IFAB C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCCO2 12532624 IJJZSXPWNMLTTJ-IOAHRDFVSA-N 442.512 2.661 0 40 IFAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12559469 KJJITSFYSNUTLN-UHFFFAOYSA-N 432.452 2.502 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 12694443 YAASJXNTQJOKMF-QZTJIDSGSA-N 433.464 2.837 0 40 IFAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)cc1OC 12913718 PNDZDNPFGSUBEH-GFCCVEGCSA-N 447.538 2.966 0 40 IFAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(N2CCCS2(=O)=O)c1 14049030 ODKOMJYLCYSZDJ-UHFFFAOYSA-N 435.933 2.969 0 40 IFAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 15301289 NJCOOIBJULJXEY-UHFFFAOYSA-N 448.979 2.577 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)Nc3ccccc3F)CC2)cc1 15987459 ULURVYCJOJDRBG-MRXNPFEDSA-N 447.532 2.678 0 40 IFAB Cc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2=O)c1C 16795116 PASKQPWYPAOYKY-SJORKVTESA-N 435.480 2.573 0 40 IFAB COc1ncc(-c2nc(NCCCN3CCOCC3)ncc2-c2ccsc2)c(OC)n1 19594868 YPWOHMZTGHXMGN-UHFFFAOYSA-N 442.545 2.814 0 40 IFAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCN(C(=O)C(C)(C)O)C4)nc32)c1 19695947 CYDDPVLRAZNCKZ-LJQANCHMSA-N 436.556 2.702 0 40 IFAB CNC(=O)c1cn(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 19756717 PXTYMOTTYVQCQY-UHFFFAOYSA-N 434.544 2.700 0 40 IFAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)Cn3cccn3)CC2)nc1N 19765790 DHNJQVFYEXJODY-UHFFFAOYSA-N 434.500 2.527 0 40 IFAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1cccc(Br)c1 19819741 SLOAVDXDVQFIHW-KRWDZBQOSA-N 433.302 2.981 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 21688476 FMWUEHUBOSMGGD-UHFFFAOYSA-N 446.532 2.751 0 40 IFAB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(n12)CCCC3 21762969 AXBNMOUWTQEOCN-UHFFFAOYSA-N 438.553 2.681 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1cc(F)ccc1F 22250512 BIXLDDNSGWEHNV-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB CSc1nc2nc(C)c(CC(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)c(C)n2n1 22613181 YTEKVBSRGBCKJV-OAHLLOKOSA-N 439.541 2.917 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCCCn1cccn1 30171738 MMFRIMUDOMFOFB-INIZCTEOSA-N 439.379 2.704 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)ccc3-n3cccc3)CC2)cc1 32104350 CWPGARBQXNYRNE-UHFFFAOYSA-N 443.500 2.772 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 36628804 NBQILLSWQBGJQS-VFNWGFHPSA-N 447.557 2.950 0 40 IFAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 40154306 CIGJPHDZGFYAIO-OAHLLOKOSA-N 439.534 2.602 0 40 IFAB CC1(C)NC(=O)N(Cc2ccc(CNS(=O)(=O)C3=Cc4ccccc4CC3)cc2)C1=O 58420574 JRMMJCAPACKUBZ-UHFFFAOYSA-N 439.537 2.924 0 40 IFAB CCC[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 72070627 PNWILEWYMMEEJI-QFIPXVFZSA-N 447.543 2.729 0 40 IFAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77200535 OJHGTDXQHLUOGZ-UHFFFAOYSA-N 433.468 2.549 0 40 IFAB COC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)N(C)Cc1ccc(SC)c(OC)c1 95447660 FXSVYXXUEBXQKV-KRWDZBQOSA-N 428.510 2.687 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc(C4CCN(Cc5ccccn5)CC4)nn3c(O)c2C1 100232627 KBASZRRRFZEVKX-UHFFFAOYSA-N 434.544 2.750 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]21 101168963 YPQAKBDAVJYAFS-OALUTQOASA-N 441.875 2.843 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1=O 195530727 RVKCMPYSZJYMFU-YCOHNSLCSA-N 428.529 2.921 0 40 IFAB COC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCC2 219663422 YRPADUUJLKSZDV-UHFFFAOYSA-N 448.522 2.587 0 40 IFAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223056987 WGMDKGFYLXBPST-XMMPIXPASA-N 437.584 2.875 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 224920501 KUDZXCXWSKTXCH-UHFFFAOYSA-N 432.483 2.768 0 40 IFAB COc1cc(Sc2ncccn2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226011662 RITDPNYQFYRYGF-UHFFFAOYSA-N 428.499 2.642 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)C1 257229593 FYRWWVZTOJIVDU-VXBGUEJESA-N 425.529 2.776 0 40 IFAB COc1cccc(C(=O)N2CCCC[C@H]3CN(CC(=O)Nc4nccs4)C[C@H]32)c1OC 257322566 WGMYDHVUFSTKAO-DOTOQJQBSA-N 444.557 2.726 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(Cc4cccnc4)C[C@@H]3c3cccnc3)C2=O)cc1 306137801 RGQIHTFQPWTALQ-RSXGOPAZSA-N 444.535 2.882 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC)c(C)c2)cc1 408675034 PJMVUJVHHMWWBO-UHFFFAOYSA-N 436.530 2.726 0 40 IFAB Cc1c(F)cccc1NC(=O)CNS(=O)(=O)c1ccc(I)cc1 409003977 WBUYTPJHAIGHEA-UHFFFAOYSA-N 448.257 2.656 0 40 IFAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1C 409025985 CSOVDMFHRZUORK-UHFFFAOYSA-N 429.542 2.944 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 409208510 CCCDBGQWJPKHIF-NVMNQCDNSA-N 426.450 2.777 0 40 IFAB O=C(C1CC1)[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCO1 513787544 ARFHLGVKIMYOAF-MRXNPFEDSA-N 426.473 2.955 0 40 IFAB Cc1c(CCC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)c(=O)oc2c(C)c(O)ccc12 583652775 CXFUZNOBMAUAAY-UWVAXJGDSA-N 438.524 2.907 0 40 IFAB biogenic CSCC[C@H](N)C(=O)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 643556978 SXNSVXFNMDDQTD-FQEVSTJZSA-N 447.645 2.987 0 40 IFAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2)C1=O 2104967 PJBBSBPTBKLNPE-XUZZJYLKSA-N 433.508 2.898 0 40 IFAB biogenic CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)Nc1ccc2ccccc2c1 3448274 WMLCTGLPPRZKEU-OAQYLSRUSA-N 438.505 2.708 0 40 IFAB CCN(CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCCCN(C)C 6193462 AGFXKNLMOIXYHF-UHFFFAOYSA-N 447.649 2.507 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2=O 8231749 BQIRVOBPIDMCNS-LFVRLGFBSA-N 426.517 2.654 0 40 IFAB O=C(CNC(=O)c1ccccc1F)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605488 VLCHGMBKIZTJSG-UHFFFAOYSA-N 444.488 2.811 0 40 IFAB COc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]32)cc1 8670924 TZFCXDIMQUVMAB-QFIPXVFZSA-N 429.542 2.663 0 40 IFAB O=C(NCc1cn2ccccc2n1)c1cccc(S(=O)(=O)NCc2cccs2)c1 8724472 JWCNZAALOQJXIP-UHFFFAOYSA-N 426.523 2.804 0 40 IFAB O=C(O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)c1ccccc1 8996049 ARZXOGOUZVJXHQ-RTWAWAEBSA-N 443.459 2.828 0 40 IFAB biogenic O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)NC(=O)NCc1ccccc1 9050072 GMUZNHVOSRXDSI-UHFFFAOYSA-N 434.481 2.639 0 40 IFAB Cc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccs3)s2)CC1 9252324 PPRCTEGKUGPJMK-UHFFFAOYSA-N 449.583 2.671 0 40 IFAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)CCC2 9257915 SYURUGYOLZRCRU-UHFFFAOYSA-N 431.533 2.650 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1 9305537 RVZBESURALQIGJ-UHFFFAOYSA-N 425.514 2.793 0 40 IFAB COc1ccc([C@H]2[C@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)Cn2ccsc2=N)cc1 9545921 YNKDDXCBKDHISJ-FCHUYYIVSA-N 447.520 2.868 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3)C2)c1 9673796 LRODTDFFTAGLKO-LJQANCHMSA-N 429.498 2.991 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(CN(C(C)=O)Cc4ccccc4O3)C2)cc1 12087145 DTXCTDMXIFVJQO-JOCHJYFZSA-N 430.526 2.660 0 40 IFAB Cc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c2c1cnn2-c1cccc(Cl)c1 12228120 VSNDREZELPYRFD-UHFFFAOYSA-N 425.851 3.000 0 40 IFAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 12267658 YXXNGAWPVFLLMH-NSHDSACASA-N 435.431 2.920 0 40 IFAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCC4(CC3)OCCO4)c3ccccc32)cc1 12447576 UYKOOKWCPZLOFU-RUZDIDTESA-N 436.508 2.599 0 40 IFAB CCNC(=O)NC(=O)[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1 12512877 HWOBHGZUKXWYMO-GOSISDBHSA-N 448.570 2.545 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 12848923 MDPKNHDWZAHPDN-HRAATJIYSA-N 434.514 2.579 0 40 IFAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 12891619 OUMHJJKJDVHFDD-UHFFFAOYSA-N 443.352 2.987 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1ccc(F)cc1 13032022 GNLAQGCGVGCPAO-HNNXBMFYSA-N 439.940 2.663 0 40 IFAB CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(C)C 13056461 PRFOVWCLPZAJGO-UHFFFAOYSA-N 435.512 2.657 0 40 IFAB CNS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)ccc1C 13119799 XHKJNPSIMAHIHZ-UHFFFAOYSA-N 443.525 2.798 0 40 IFAB O[C@@H](CNCc1ccccc1)COc1ccc(OC[C@H](O)CNCc2ccccc2)cc1 13763982 SPDPKQTVSTWZBZ-PSWAGMNNSA-N 436.552 2.746 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15612562 VGAQRFCPQLOGEW-MRXNPFEDSA-N 445.516 2.992 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)n1 16091300 PKTGSPUQSUQALN-UHFFFAOYSA-N 435.488 2.687 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2nnc3[nH]c(=O)c(Cc4ccc(C)cc4)nn23)cc1 16838816 BTPHQKXSKWNQDE-UHFFFAOYSA-N 448.508 2.645 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 17113207 VRSLVORUCUUSML-QKKBWIMNSA-N 438.484 2.615 0 40 IFAB CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCCC1 17792955 YFJAZUQYGBMPLR-UHFFFAOYSA-N 447.645 2.957 0 40 IFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1cccc4nsnc14)(C3)C2 19078241 NLOGSTGDWJSERF-ZXPDZVFASA-N 428.514 2.648 0 40 IFAB Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19289140 FSDNWFYHXUHWHJ-HXUWFJFHSA-N 438.576 2.809 0 40 IFAB O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]c2=O)C1 19368798 JETNKIVSCWEIEK-OAQYLSRUSA-N 443.507 2.731 0 40 IFAB O=C1CCC[C@]2(CN(C(=O)CCN3Cc4ccccc4C3=O)C[C@H]2c2cccc(F)c2)N1 19375570 CFXOWPYHAOCTGH-SQJMNOBHSA-N 435.499 2.837 0 40 IFAB CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 19499817 UOQXRQHILHJIBP-LSDHHAIUSA-N 428.558 2.782 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 19697885 GEVSNBRATVWGIY-OAHLLOKOSA-N 449.554 2.970 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)c1 19867803 VUYKRBCUJRBFBO-UHFFFAOYSA-N 427.526 2.522 0 40 IFAB C[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 20451548 NLLMRGTVWZDSPB-AWEZNQCLSA-N 438.933 2.924 0 40 IFAB COc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 20483564 MKLSWLGCPQFJGN-UHFFFAOYSA-N 443.481 2.917 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 20489250 ZSZCSBJCOLTSTN-UHFFFAOYSA-N 440.861 2.537 0 40 IFAB O=C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc2N1 21009838 IKMRPGZCGQKVMT-UHFFFAOYSA-N 439.946 2.788 0 40 IFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1OC 21633064 FANPEPATXVREHD-ZZXKWVIFSA-N 443.380 2.924 0 40 IFAB C[C@@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)c1ccccc1 22249229 PBWIXOTXDFLOQQ-OAHLLOKOSA-N 438.933 2.617 0 40 IFAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)C1=O 23121309 HYVRMOKNTNIKBB-GOSISDBHSA-N 435.506 2.629 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)CC1 24942171 YDJIRJGPYQBKCK-HNNXBMFYSA-N 430.530 2.659 0 40 IFAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)CC1 26457431 WAMDDZKBJKUJRD-KRWDZBQOSA-N 442.343 2.808 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 31207697 ZSMUCKBPRYSIRC-HNNXBMFYSA-N 438.366 2.617 0 40 IFAB CCOc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773793 FMGYZGADDGPITM-FCHUYYIVSA-N 428.554 2.532 0 40 IFAB O=C(NCCc1ccccc1F)C1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 40154765 UUOWXGZARPJRDQ-UHFFFAOYSA-N 440.519 2.601 0 40 IFAB C=Cc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(C)cc32)cc1 49402748 HCCUJACHAFXTIL-UHFFFAOYSA-N 425.510 2.604 0 40 IFAB CCc1cc(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(-c2cccc(F)c2)n1 57508089 SIPYFICTHNLHIS-UHFFFAOYSA-N 439.487 2.988 0 40 IFAB O=C(C[S@@](=O)Cc1ccco1)NCCCCOc1cc(CN2CCCCC2)ccn1 77291747 OXNROJCVYGRYJB-SSEXGKCCSA-N 433.574 2.885 0 40 IFAB in-vitro O=C(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCc2ccccc21 78815254 QYRBYQTXVZGUOE-NRFANRHFSA-N 428.492 2.916 0 40 IFAB COCCn1ccc2c(NC(=O)Cn3ncc4ccc(OC)c(OC)c4c3=O)cccc21 96231624 DLJOCIOHPJCKBH-UHFFFAOYSA-N 436.468 2.654 0 40 IFAB COc1cccc2c1OC(=O)[C@@H]1[C@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H]2[C@@H]34)[C@@H]1C(=O)O 101998799 LETQKJKEXLWDSX-NWFOXRFJSA-N 431.491 2.553 0 40 IFAB Nn1c(SCC(=O)/N=c2/sccn2Cc2ccccc2Cl)nnc1C(F)(F)F 104685777 QHRAGFUXERSJCE-FYJGNVAPSA-N 448.883 2.795 0 40 IFAB O=C(NCCCN1CCOCC1)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 215740436 OTFJFEKQYPUAPD-MNDPQUGUSA-N 428.920 2.596 0 40 IFAB CN(c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3F)CC2)c1)S(C)(=O)=O 222494249 ZFNQBNJWENDIME-UHFFFAOYSA-N 425.913 2.837 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222573205 QIMRSTQXVPVPEH-OAHLLOKOSA-N 441.915 2.880 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222724866 LVEKXYPZZVMFSF-HOTGVXAUSA-N 448.541 2.807 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)CC1 224153567 LOLWGIOKFMUTLK-UHFFFAOYSA-N 449.504 2.565 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1F 257203006 AOFZUTYYYNYKIP-QGZVFWFLSA-N 438.507 2.960 0 40 IFAB CCn1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](Cc3cnccn3)C2)c(C)n1 257210723 BVVXIUFQZVVFPZ-QFIPXVFZSA-N 447.587 2.617 0 40 IFAB Cc1cnc(C(=O)N(C)[C@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 257313869 UUKKKZUCUAPWJR-YYCSQBPTSA-N 439.556 2.854 0 40 IFAB Cn1c([C@H]2CCCCN2S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)nc2ccccc21 519411391 YKNZVNCDKXDPBJ-GOSISDBHSA-N 439.497 2.844 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(Cc2ccccc2)no1 524735040 QDMINRAYPQGLSE-FKRCVWNDSA-N 446.507 2.819 0 40 IFAB Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4cccc(F)c4)CC3)C2)c1 585287788 RRDJYNSNVNHARE-RUZDIDTESA-N 444.547 2.608 0 40 IFAB Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)nc2nc(O)nc(O)c12 656418902 NMQQMUJJRNSSJZ-XSYGEPLQSA-N 445.523 2.727 0 40 IFAB O=C(c1ccn(CCC(F)(F)F)n1)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 1615610780 NEKIZZNESFANHB-QGZVFWFLSA-N 430.858 2.980 0 40 IFAB O=C(CN1CCC(C(=O)c2ccccc2Cl)CC1)Nc1cc(-n2cnnn2)ccc1F 1655047092 ZTAYRPRGDYWSQS-UHFFFAOYSA-N 442.882 2.988 0 40 IFAB CCOCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 1665491079 BAJVOWSGFDEFQY-LJQANCHMSA-N 429.498 2.756 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)cc2c1 1373119 PXDSRIKJECHIML-UHFFFAOYSA-N 446.467 2.960 0 40 IFAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 3231046 QAHFXGJKIQAMTO-UHFFFAOYSA-N 438.527 2.506 0 40 IFAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3339200 OPHWSOCGDSZRAA-UHFFFAOYSA-N 443.554 2.783 0 40 IFAB NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCCC2 3411174 WAJQMUXMNCHCOT-UHFFFAOYSA-N 433.555 2.763 0 40 IFAB CCN(CC)CCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCCCOC 6193026 DUMZKKYKIFBHGA-UHFFFAOYSA-N 448.633 2.982 0 40 IFAB CCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6481453 PWHQYQZROWFNSG-OAHLLOKOSA-N 445.589 2.940 0 40 IFAB CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 6600889 QOAQLVFMSGPZNS-UHFFFAOYSA-N 440.504 2.588 0 40 IFAB C[C@@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)Nc1ccc(F)cc1 8746917 JOFZASQDFYKKHR-LLVKDONJSA-N 449.485 2.621 0 40 IFAB Cc1sc2nc([C@H](C)OC(=O)CCNS(=O)(=O)c3ccccc3)[nH]c(=O)c2c1C 8825331 NRTIHPLAZJHZPQ-LBPRGKRZSA-N 435.527 2.574 0 40 IFAB O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCCC1 8883985 NSMBKOXRYMILRJ-UHFFFAOYSA-N 435.546 2.608 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 8892789 OCYADSRURSNXSJ-INIZCTEOSA-N 427.482 2.632 0 40 IFAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)c(OC)c4)ccn3n2)cc1 9321153 IPNNJKVWPJEEMY-UHFFFAOYSA-N 448.479 2.505 0 40 IFAB CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3Cc2ccc(Cl)cc2)CO1 9409844 IUBKZJXBZMPRTK-UHFFFAOYSA-N 434.901 2.862 0 40 IFAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9416430 SKMKDNHNOBEKQT-ZDUSSCGKSA-N 427.486 2.621 0 40 IFAB CC(C)c1nc2sc3c(=O)n(CC(=O)N4CCOCC4)cnc3c2c2c1CCCC2 9423014 RRQQIKOTVHRFLQ-UHFFFAOYSA-N 426.542 2.867 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 9580219 BDXWZQDDAWXFHA-ZIFCJYIRSA-N 442.512 2.933 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCc1ccccc1)c(=O)n2Cc1ccccc1 9643899 ZPYDMYAVPDTFER-UHFFFAOYSA-N 430.508 2.880 0 40 IFAB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCN(c2ncccn2)CC1 9645854 CVQBHOYALNWOEE-UHFFFAOYSA-N 444.538 2.503 0 40 IFAB COc1ccccc1N1CCN(C(=O)COCC(=O)Nc2ccc(C)c(Cl)c2)CC1 9668374 XUHQXFXGCWYEFW-UHFFFAOYSA-N 431.920 2.961 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(OC)cc2F)NC(=O)N[C@@H]1c1ccccc1 9730195 HZMINWVWKIVQSS-LJQANCHMSA-N 428.416 2.862 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2cccc(F)c2)cc1 9745031 YKKBKBQQUIRKJB-LJQANCHMSA-N 447.532 2.822 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)CC1 10113001 YJRIVGOMFLOEBY-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB O=C(NCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 12767449 XBWAKYVDCUDIBV-UHFFFAOYSA-N 430.346 2.913 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(OC)cc2)s1 12820517 ULYXRGFJMJXXFT-CQSZACIVSA-N 426.560 2.871 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 12991764 LMTVTNAWAOQSGK-UHFFFAOYSA-N 430.526 2.517 0 40 IFAB Cc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 13100949 RIUKKPSIOFEWFE-UHFFFAOYSA-N 439.917 2.905 0 40 IFAB NC(=O)Cn1c(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2ccccc2c1=O 13115829 DFHVTKUBQPTERF-UHFFFAOYSA-N 446.536 2.691 0 40 IFAB Cn1c(CNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NC(=O)c3cccnc3)ccc21 13692137 KUHIYAOLZJYXNJ-OAQYLSRUSA-N 443.463 2.677 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(F)c2)NC(=O)N1c1cccc(C(=O)O)c1 14247171 ZWFLCRMNCUNDBN-FQEVSTJZSA-N 439.443 2.928 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(I)cc2)c1 15501973 IPMQFZGDKMDMJN-UHFFFAOYSA-N 430.267 2.794 0 40 IFAB O=C1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2N1 15912336 SAGYYIYGCRSRQC-UHFFFAOYSA-N 427.526 2.779 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 19215191 OOAHLDAIMMQEQD-INIZCTEOSA-N 427.486 2.577 0 40 IFAB O=C(CCc1nc(-c2cccnc2)no1)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19347233 CJDQSHVWXGVDCI-UHFFFAOYSA-N 430.468 2.707 0 40 IFAB COc1ccccc1C(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 19697208 DDCVMORHYIYIPG-UHFFFAOYSA-N 446.507 2.597 0 40 IFAB Cc1nc(C2CCN(C(=O)c3sc(N4CCCC4)nc3C)CC2)ncc1C(=O)N(C)C 19766455 GPWDXUGNJNZYNC-UHFFFAOYSA-N 442.589 2.872 0 40 IFAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)C(C)(C)OC)cc1 19766747 YLCLZUCREOMRFY-LJQANCHMSA-N 426.517 2.812 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1 19831784 WEBCPYCAVWBQTF-UHFFFAOYSA-N 430.501 2.688 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20493062 RPVABGKZDZZVRS-HZPDHXFCSA-N 438.571 2.741 0 40 IFAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC(=O)NC(C)(C)C 22188648 KHFJDLQWMYFKMI-CQSZACIVSA-N 431.562 2.567 0 40 IFAB CCCOc1ccccc1CCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O 22362650 AILLQSNADOUSGA-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCc1cccs1 23483618 NNVIHQRWVUFTRE-LJQANCHMSA-N 438.571 2.571 0 40 IFAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23763112 YPNAGFCXOBZYRG-NJTIBFSMSA-N 440.565 2.610 0 40 IFAB CC(C)n1ncc2cc(C(=O)N3CCN([C@H](C(N)=O)c4ccc(Cl)cc4)CC3)cnc21 24082404 JPOGUOLOFZTDQF-IBGZPJMESA-N 440.935 2.650 0 40 IFAB CCNC(=O)NC(=O)[C@H](Sc1nnc(O)n1CCc1ccccc1)c1ccccc1 24715454 NGLVCGVZSHLGMZ-QGZVFWFLSA-N 425.514 2.906 0 40 IFAB Cn1c(=O)c2c(nc3n(-c4ccc(OC(F)F)cc4)c(-c4ccccc4)cn23)n(C)c1=O 28629607 SLEIIKFCBCDRTL-UHFFFAOYSA-N 437.406 2.944 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccco1 32908609 VCHIDQNIALANSX-MRXNPFEDSA-N 426.300 2.887 0 40 IFAB CC(=O)N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)CC1 36396817 FKKFTARMQFCNEK-UHFFFAOYSA-N 431.418 2.986 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)Oc2ccccc21 44872405 ZDWGGWYWKCETHJ-QFIPXVFZSA-N 443.569 2.516 0 40 IFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC 44900407 CMPJRKJDOCMRNT-HNNXBMFYSA-N 448.541 2.988 0 40 IFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 48301240 ZRTCZEZRXFZITE-KRWDZBQOSA-N 447.513 2.540 0 40 IFAB CCN(CC)[C@@H](CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)c1ccccc1 48302622 MNXXLNRTUYOERM-QFIPXVFZSA-N 432.524 2.823 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49590074 HHLQNIOTTMCJBQ-LJQANCHMSA-N 447.539 2.797 0 40 IFAB COC(=O)CN(CC(=O)OC)C(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 65610877 AWMBHTPWLZMZIF-UHFFFAOYSA-N 438.480 2.951 0 40 IFAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(-c1ccccc1)cn2C 67235385 OWFBZJKAFBHBIW-UHFFFAOYSA-N 432.480 2.661 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1O 84490214 MCOBHHBCWAIYSN-UHFFFAOYSA-N 426.878 2.514 0 40 IFAB O=S(=O)(c1ccc(F)cc1Br)N1CCN(c2cc(Cl)ncn2)CC1 95458372 DLUYIBVARJOZFG-UHFFFAOYSA-N 435.706 2.543 0 40 IFAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 96104188 PQWRZUVQJIOAJI-UHFFFAOYSA-N 438.509 2.518 0 40 IFAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 100398770 BSQQNFFTCNJNFQ-NLPVSQSESA-N 442.471 2.957 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N([C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 104673156 QGBBBPRGXZCWRC-PWNZVWSESA-N 433.892 2.903 0 40 IFAB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1ccc(OC)cc1)S(C)(=O)=O 222726627 YEYQXHVOYQSPEW-KXBFYZLASA-N 448.541 2.888 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C(=O)NCCO)c2ccccc2)cc1 223571642 VMJMMRDAZRPCGN-VWLOTQADSA-N 448.519 2.953 0 40 IFAB O=C(c1cnccn1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306134003 NBMCHOARZZQOOV-UHFFFAOYSA-N 444.539 2.960 0 40 IFAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710298 WNXDCNYWMUPGTL-UHFFFAOYSA-N 449.438 2.739 0 40 IFAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409376851 DKPMYLHCVVBHQP-INIZCTEOSA-N 441.875 2.850 0 40 IFAB CC(C)c1nccn1CCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585282818 BACJOHYGTYPQFU-JOCHJYFZSA-N 448.951 2.602 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1 1775974200 DDOYJPUVMGDAOI-UHFFFAOYSA-N 447.435 2.745 0 40 IFAB CC(=O)N1CC[C@H]2CC[C@@H](CN(Cc3ccccn3)Cc3ccccc31)N2S(C)(=O)=O 2037949701 RMIONDGQPDBEPL-YADHBBJMSA-N 442.585 2.633 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)C2)cc1 796799 SIYBHNBISOSANK-MRXNPFEDSA-N 431.514 2.693 0 40 IFAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccncc2)n1 1372747 SVQDSDGKBJQZCA-UHFFFAOYSA-N 429.440 2.635 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 2657303 ZNMADMSPOIFMEC-OAQYLSRUSA-N 429.542 2.705 0 40 IFAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1OC 3300740 XWJPXAHSBCHMBN-IZZDOVSWSA-N 426.469 2.736 0 40 IFAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 3358376 QBGAJNZQCYPVIG-UHFFFAOYSA-N 426.759 2.895 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccnc2)C1)c1ccc(F)cc1 4259006 HNDUGEXZWGDBGL-MAUKXSAKSA-N 432.455 2.894 0 40 IFAB biogenic,in-vitro COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 4904460 BUFCPRXIOQWNNG-JOCHJYFZSA-N 425.485 2.554 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 6548778 YBTJTLORJPCEQM-UHFFFAOYSA-N 443.569 2.704 0 40 IFAB CCCCC[C@@H](C)NC(=S)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 8692459 YYFPOZSPRNNRKJ-MRXNPFEDSA-N 441.619 2.589 0 40 IFAB NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CC1 8810275 KFUCNWICDYYLNP-UHFFFAOYSA-N 439.896 2.617 0 40 IFAB Cc1c(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(=O)oc2cc(O)c(Cl)cc12 8877620 RAXNGZMLLUDZAC-KGLIPLIRSA-N 440.883 2.811 0 40 IFAB biogenic NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9019122 WZUOVBDNXJGHMS-TVFCKZIOSA-N 427.382 2.581 0 40 IFAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)NC1CC1 9219934 AJJAJACPJCHCNN-OAHLLOKOSA-N 440.525 2.813 0 40 IFAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 9396678 NNEYIJLAWHTXKL-KDOFPFPSSA-N 431.341 2.649 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)c3ccco3)cc2)cc1 9442632 AFUDMWDQZXQHGQ-UHFFFAOYSA-N 443.481 2.848 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2ccccc2n1 9510131 QKUTWHQRGOLUAN-OAHLLOKOSA-N 441.509 2.978 0 40 IFAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc5c(c4)OCO5)n3n2)c1 9569097 XUNFQMIJIWWXTA-UHFFFAOYSA-N 449.492 2.792 0 40 IFAB CN(CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)S(=O)(=O)c1cccs1 9577624 VBTXSJOBWQRPJM-UHFFFAOYSA-N 445.570 2.992 0 40 IFAB CCCCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)c1nc2ccccc2s1 9766610 MFDVVLUDGHAIKR-UHFFFAOYSA-N 435.509 2.938 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 10542102 BPOSZGQIOXQDQL-UHFFFAOYSA-N 446.525 2.546 0 40 IFAB CCCc1cc(O)nc(S[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 11443729 RUXIABCULGWSJC-VIFPVBQESA-N 428.436 2.788 0 40 IFAB CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 12029778 JPFAJHLXWXSUKC-LJQANCHMSA-N 437.539 2.687 0 40 IFAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)NCc2nccn2C)C1 12087526 GRBBPKCHVIHZAE-NTKDMRAZSA-N 437.544 2.557 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 12109590 PTUAIDHQCDUGRN-IBGZPJMESA-N 433.505 2.660 0 40 IFAB COc1cc(CCC(=O)N2CCC[C@H](c3cc4nc5c(c(O)n4n3)CCCC5)C2)on1 12134760 GQVLAZTUOPTIDW-AWEZNQCLSA-N 425.489 2.649 0 40 IFAB CCc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 12867146 IHOHBENAQOWMNM-UHFFFAOYSA-N 447.538 2.889 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12906997 UGTIMIUYMHQNIP-HNNXBMFYSA-N 449.523 2.787 0 40 IFAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)NC2CCCCCC2)c(=O)[nH]c1=O 12928055 VNYDIIRDGBJNHM-UHFFFAOYSA-N 449.596 2.527 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)ccc3C)CC2)c(C)c1 13062377 ZDHHLFTYFNMRAV-UHFFFAOYSA-N 444.553 2.610 0 40 IFAB CCN(C(=O)CSc1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14070244 IFOHBHQKLZMZDP-UHFFFAOYSA-N 446.479 2.591 0 40 IFAB CC(C)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 14129412 UGNVCKCGURHLAP-UHFFFAOYSA-N 431.558 2.557 0 40 IFAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)CCCN2C(=O)CNC2=O)cs1 14196756 DUMDFTLXEGKQDK-UHFFFAOYSA-N 444.513 2.820 0 40 IFAB O=C(OCc1nc(-c2ccsc2)no1)C1CCN(S(=O)(=O)c2ccccc2)CC1 16861344 XFTOJQSLZSXKKD-UHFFFAOYSA-N 433.511 2.942 0 40 IFAB CCc1cc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)cs1 19522110 JWPNBHDMRISAES-OAHLLOKOSA-N 444.557 2.656 0 40 IFAB COc1ccc(OC)c(CN2C[C@@H](c3c(F)cccc3F)[C@@]3(COCCC(=O)N3)C2)c1 19551705 VVERMSBLLRNCSR-SBUREZEXSA-N 432.467 2.857 0 40 IFAB COCc1nnc(NC(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCCN2C(C)=O)s1 19696631 KXHPFIQZKMOIMZ-NRFANRHFSA-N 441.513 2.902 0 40 IFAB COc1ccc(CN(C)c2nc([C@@H]3CCCN3C)nc3c2CN(C(C)=O)CC3)cc1OC 19710818 VFBYIMDVTHCZSH-FQEVSTJZSA-N 439.560 2.802 0 40 IFAB CCS(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)CC3)C1 19738924 FBPORNRGXGMHLR-KRWDZBQOSA-N 446.548 2.585 0 40 IFAB Cc1cc(N2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)nc(C)n1 19759404 SVTNXONHZUAAQH-QFIPXVFZSA-N 433.512 2.692 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)ncc1C(=O)N1CCOCC1 19764147 QTWGPUPAPLQDKF-LJQANCHMSA-N 445.523 2.825 0 40 IFAB CC(C)[C@H](NC(=O)CSc1nnnn1C[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 21733461 GWFJENFWGAGBIF-UZLBHIALSA-N 447.561 2.619 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)n1 22802120 JZOFPYHRRGVISU-UHFFFAOYSA-N 431.544 2.759 0 40 IFAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC(NC(=O)c2ccccc2)CC1 25826480 HEKYEUMFTHYCLP-NRFANRHFSA-N 434.584 2.614 0 40 IFAB CC(=O)N[C@@H](CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)c1ccccc1 27285060 SGFJJTWBCXCULW-KNQAVFIVSA-N 448.523 2.698 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 29928639 GJASXGPSQDDJHT-UHFFFAOYSA-N 426.542 2.949 0 40 IFAB O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(CN2CCc3ccccc32)cc1 31819055 IQYZBERHXBNFRQ-UHFFFAOYSA-N 425.492 2.671 0 40 IFAB CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 32900168 CABHVONIXPMTKU-OAHLLOKOSA-N 434.518 2.784 0 40 IFAB CC(C)n1ncc2c(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc(-c3ccccc3)nc21 36389758 UKKRBWHCJMSXMA-UHFFFAOYSA-N 446.555 2.716 0 40 IFAB Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 39998361 FETRFZDGWQDFIA-OXFYSEKESA-N 432.567 2.844 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2nc(-c3cccnc3)no2)C1 62022914 NHJRNMQKXUMDIL-IBGZPJMESA-N 448.527 2.819 0 40 IFAB Cc1ccc(Cl)cc1NC[C@H](C)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 65095238 SBMPNOWQVONLNA-VIFPVBQESA-N 440.729 2.896 0 40 IFAB O=S(=O)(c1ccccc1F)N1CCN(Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 79059138 HAUMOELRJMUQFP-UHFFFAOYSA-N 435.912 2.566 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 95469700 PTRVCMGABCHHSW-UHFFFAOYSA-N 434.949 2.893 0 40 IFAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(Br)c1 95995710 FOBNVRVOFUOFDF-UHFFFAOYSA-N 443.703 2.690 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1 101166098 ALMQMZBYXATNAO-DLBZAZTESA-N 447.373 2.646 0 40 IFAB O=C(Nc1nnc(SCc2cc(=O)n3nc[nH]c3n2)s1)C12CC3CC(CC(C3)C1)C2 102621498 CGXKIQIADRPHIC-UHFFFAOYSA-N 443.558 2.716 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1=O 103054650 RVKCMPYSZJYMFU-UPGMHYFXSA-N 428.529 2.921 0 40 IFAB Cc1c(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(=O)n(-c2ccccc2)n1C 222493655 BDUCTRMOCZLLIH-UHFFFAOYSA-N 448.932 2.786 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224377736 NKIPRVKOHJWVGO-UHFFFAOYSA-N 435.521 2.756 0 40 IFAB COc1ccccc1OCCNC(=O)CCCN(c1c(F)cccc1F)S(C)(=O)=O 224886713 BIKNYSQUAXZEOK-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 242543549 KFEZPHKSZLBFFM-NNMXDRDESA-N 446.525 2.577 0 40 IFAB CCc1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)no1 257282090 OSHGIFPDNXFEBM-WPFOTENUSA-N 427.545 2.541 0 40 IFAB Cc1cc(Nc2cccc([C@@H]3CN(S(=O)(=O)Cc4ccc(F)cc4)CCO3)n2)nn1C 257321691 WCTVQMYERQPYNG-IBGZPJMESA-N 445.520 2.910 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2CN2CCCC2)Oc2ccccc21 260892655 CCLDKZYZVWTUGM-JOCHJYFZSA-N 443.569 2.516 0 40 IFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 306131159 JXXSZYZOVRJIED-CVEARBPZSA-N 435.459 2.703 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccncc1 408533855 RBOLRUHENUWJPT-UHFFFAOYSA-N 437.521 2.918 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 408618462 JNHKDXLWSCCXHH-UHFFFAOYSA-N 440.319 2.812 0 40 IFAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)c(OC)c1 408662514 JHCSVAHPVURQPL-UHFFFAOYSA-N 428.441 2.807 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)cc1 409236588 SDMCUGJTNBMZFE-IBGZPJMESA-N 445.560 2.884 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 409388275 CQVUXDBKFOOTTG-SFHVURJKSA-N 432.542 2.729 0 40 IFAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 575424885 VRNBUFGIBKBJCG-SFHVURJKSA-N 436.555 2.528 0 40 IFAB CC[C@H](NC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccccc1OCC(=O)N(C)C 1223877546 KCTNJTNDQMDGQT-DWLFOUALSA-N 447.576 2.614 0 40 IFAB Cc1ccc(OCC(=O)N2CCN(C(=O)c3cc(=NCc4ccccc4)cc[nH]3)CC2)cc1 1520856107 KJDGTRZDSVMTQB-UHFFFAOYSA-N 444.535 2.787 0 40 IFAB Cc1cc(C)nc(N2CCC3(CC[C@H](CNC(=O)CCN4CCCCC4)OC3)CC2)n1 1565553083 JQXMRRJGRLBYKQ-OAQYLSRUSA-N 429.609 2.851 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2)cc1OC 802889 RKXLAYPYZJMMRN-UHFFFAOYSA-N 441.509 2.611 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c1 1346028 SPYBIHBKPZTFDA-UHFFFAOYSA-N 435.477 2.587 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1 1924278 RGEJRFBKUPBAHH-UHFFFAOYSA-N 441.538 2.864 0 40 IFAB Cc1c(NC(=O)[C@@H](C)OC(=O)[C@]2(C)CC2(Cl)Cl)c(=O)n(-c2ccccc2)n1C 3253286 GUCZUGHFTACTDK-XIKOKIGWSA-N 426.300 2.939 0 40 IFAB O=C(O)CCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)Nc3ccccc3)c(=O)n1C2 4259165 ONTHCFDGJPVUMH-JKSUJKDBSA-N 438.484 2.693 0 40 IFAB biogenic,in-vitro C[C@@H](C(=O)NCCc1cccs1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8852760 OAKBJDXFRRTURX-HNNXBMFYSA-N 429.542 2.875 0 40 IFAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 9012519 ZITLIZLFZGDYLH-CQSZACIVSA-N 436.917 2.529 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9124845 RHQBHDPBHBUSMU-FXAWDEMLSA-N 448.523 2.887 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)c(OC)c2)C[S@](=O)C3)cc1 9413951 CVDIZUPDKJIZLR-SSEXGKCCSA-N 427.482 2.913 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 9428582 LETHFPKVHTZPFC-FUMNGEBKSA-N 435.867 2.946 0 40 IFAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 9448728 FJGYXELPVKAFQK-PKTZIBPZSA-N 427.504 2.987 0 40 IFAB CC(C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1 9451203 ALBSMHDTCCATAY-MZLICYQSSA-N 437.565 2.756 0 40 IFAB Cc1c(NC(=O)[C@H](C)Sc2nnc3n2CCCCC3)c(=O)n(-c2ccccc2)n1C 9592976 OBMARVXIJBBQGZ-HNNXBMFYSA-N 426.546 2.922 0 40 IFAB COCCOC(=O)c1c(NC(=O)CN2CCCc3cc(C)ccc32)sc(C(N)=O)c1C 9632990 JBYQTFUZSBKZPA-UHFFFAOYSA-N 445.541 2.658 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2ccccc2F)n1N 9666293 SGUNAISVFIVVJX-UHFFFAOYSA-N 442.520 2.550 0 40 IFAB O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(C(F)(F)F)cc1 9670955 KJZWYISCVDDIGM-UHFFFAOYSA-N 443.447 2.777 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N)c2)cc1 9691895 OQCURRFRUUTHJD-GFCCVEGCSA-N 439.921 2.793 0 40 IFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9704469 MWUXRFKCNQQTIJ-UHFFFAOYSA-N 444.918 2.624 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cccc(C(C)=O)c1 9761872 DHPDXGZQNSTECJ-UHFFFAOYSA-N 435.436 2.629 0 40 IFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O 9783219 KEXHFAZYDLLCFR-UPCLLVRISA-N 437.496 2.882 0 40 IFAB COC(=O)c1ccc(NC(=O)C[S@](=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 9828758 RCNLIVPZKVIOSK-SSEXGKCCSA-N 427.482 2.629 0 40 IFAB O=C(C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@H]1CCCO1 11613406 WIJDXMGDZVVGDX-LSDHHAIUSA-N 445.932 2.568 0 40 IFAB CC1CCN(C2(CNC(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CCCCC2)CC1 11998628 YUFJNFISDNBDFE-UHFFFAOYSA-N 447.601 2.918 0 40 IFAB O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1)NC1CCCC1 12480620 FRPVVJXXBKNJLY-UHFFFAOYSA-N 440.454 2.710 0 40 IFAB Cc1cnc2c(S(=O)(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)cccc2c1 12589453 IYKIJUXVMKGEGH-INIZCTEOSA-N 436.580 2.983 0 40 IFAB Cn1ccnc1Sc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 12737476 NZPUDZVNIZYLNT-UHFFFAOYSA-N 442.522 2.609 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)NC1CCCCC1 12916492 FJAYPFXVWPJUAJ-UHFFFAOYSA-N 434.389 2.749 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc4ccc(OC)cc4s3)C2=O)cc1 12927491 ZQAQFTRWVZOYLE-NRFANRHFSA-N 440.481 2.719 0 40 IFAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 12976769 GROCICAFTWDSNS-JOCHJYFZSA-N 435.524 2.973 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cn2nc(-c3ccccc3)oc2=S)CC1 13071747 SNIFEZCCTGTZSE-IBGZPJMESA-N 438.509 2.814 0 40 IFAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c12 13607541 PKAFMNGRPDYQKC-UHFFFAOYSA-N 430.482 2.719 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)NCc1cccs1 14109004 YZPUICMOXCLLFC-UHFFFAOYSA-N 429.571 2.633 0 40 IFAB COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1OC 16048057 OACPMPHDJOJOON-KRWDZBQOSA-N 426.494 2.941 0 40 IFAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC 20040001 QLEWXHQUZKHACU-INIZCTEOSA-N 438.571 2.825 0 40 IFAB O=C1CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC(=O)N1CCc1ccccc1 21118026 OLJSROUVAGQYMU-UHFFFAOYSA-N 446.898 2.887 0 40 IFAB COc1ccc(OC[C@@H](O)CN2CCN(CCc3ccccn3)CC2)c(C(C)(C)C)c1 22036408 LPXORTHSAYOOQS-NRFANRHFSA-N 427.589 2.988 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)N2CCOCC2)cc1OC 22702695 WGGQESNXJPXYQU-GOSISDBHSA-N 441.528 2.663 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)N(C)Cc3ccc4c(c3)OCCO4)c(C)n2n1 23055994 HGIFTXVRSSPYEF-UHFFFAOYSA-N 427.530 2.825 0 40 IFAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@@H](CC)C3)c(=O)[nH]c1=O 24005969 JFUOAAAXYBIPOG-CQSZACIVSA-N 448.589 2.789 0 40 IFAB OCCN1CCN(c2nc(Nc3ccc(F)cc3)c3cnn(-c4ccccc4)c3n2)CC1 24023478 RCTSZKKMEXIORR-UHFFFAOYSA-N 433.491 2.813 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)CC)ccc3O)cc2C1=O 24152845 FNHAXTXSYMEZNI-UHFFFAOYSA-N 430.482 2.834 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)C[C@@H]1COc2ccccc2O1 24661219 GAXKBVMLUJUPIP-CQSZACIVSA-N 449.433 2.991 0 40 IFAB Cc1cc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2CCC(N)=O)c2ccccc2)no1 28910396 DZHIKXDHYVQSGP-KRWDZBQOSA-N 426.502 2.799 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 31066156 DMMRJFHGCOHHKO-INIZCTEOSA-N 426.469 2.801 0 40 IFAB CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 32640020 NTKFEJVEHRPUEZ-RBUKOAKNSA-N 429.567 2.963 0 40 IFAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1 32764758 KPBGOBZNEQBAEE-UHFFFAOYSA-N 447.557 2.937 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n(C)c1 32882888 SEIIPYWGZBTUFQ-INIZCTEOSA-N 443.573 2.952 0 40 IFAB COc1cc2cc(C(=O)N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c(OC)c1OC 36569642 TYQPYKWOJRNVSW-LLVKDONJSA-N 441.440 2.679 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 36611318 QDERLMSMIDZJNJ-NRFANRHFSA-N 431.533 2.745 0 40 IFAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)CN(C)S(C)(=O)=O)nc12 36691752 XRUQFYQAHGONFC-UHFFFAOYSA-N 434.543 2.515 0 40 IFAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc54)[nH]c(=O)c32)c(F)c1 38828236 ZXMKKCYIKWBCAH-AWEZNQCLSA-N 433.443 2.976 0 40 IFAB CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2n2cc(C(=O)OC)nn2)cc1OC 40152705 ALAPHQASDQISHO-BDULIULHSA-N 428.489 2.785 0 40 IFAB C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(F)c(F)c2)CC(=O)N3)C1 40388658 CVIFACNZOVLYFR-WZRBSPASSA-N 431.443 2.595 0 40 IFAB O=C(COc1ccccc1)Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40395855 XGZHODIJVTYQQO-UHFFFAOYSA-N 446.854 2.909 0 40 IFAB CC(C)c1nnc(C2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)o1 44098537 VTBSDKOCCBDONQ-AWEZNQCLSA-N 429.546 2.682 0 40 IFAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 44847198 PAELHEOOTGCEQT-HNAYVOBHSA-N 430.526 2.806 0 40 IFAB Cc1nc(C2CCN(C(=O)[C@H](C)N3CCCC3)CC2)nc2c1CCC(=O)N2CC1CC1 72371154 HNNZBHCKUMGUGN-KRWDZBQOSA-N 425.577 2.665 0 40 IFAB CN(C)CCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 85875610 SNVMPLZZNMWMOM-UHFFFAOYSA-N 429.524 2.642 0 40 IFAB biogenic O=C(COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)NCc1ccccc1 89835033 MLPYQZMGYWEOAP-UHFFFAOYSA-N 427.460 2.918 0 40 IFAB COC(=O)CCN(CC(OC)OC)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 96011681 KNHOYZQSEITSOO-UHFFFAOYSA-N 444.513 2.620 0 40 IFAB CCc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCN(CC)C2=O)cc1 96144428 OLNOAJQIFFDKGP-VWLOTQADSA-N 440.588 2.707 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 96261111 JGEJVJQUFWTNAN-VMRPVKRXSA-N 433.505 2.808 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@H]3C2=O)cc1 101277629 QXEPDMVRVKQQJS-RBUKOAKNSA-N 432.440 2.855 0 40 IFAB C[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103072585 BBSMPINLNMSYNB-RTXFEEFZSA-N 444.841 2.622 0 40 IFAB C[C@@H]1CN(c2cc(C(=O)NCc3ccccc3CN3C[C@@H](C)O[C@H](C)C3)ccn2)CCO1 106920988 BVKOKGVENBAURK-VAMGGRTRSA-N 438.572 2.846 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cccc(Cl)c1 115168948 AEWADQGOYJHBLH-RMKNXTFCSA-N 447.988 2.964 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1nnc(-c2ccc(Cl)cc2)s1 222626908 UBNAMHKJYLPZSA-UHFFFAOYSA-N 434.886 2.642 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 222679129 JBBCGKONQMGPBS-UHFFFAOYSA-N 426.441 2.556 0 40 IFAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222772097 RJBVQXVCSZEFEC-IBGZPJMESA-N 443.975 2.748 0 40 IFAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1S(=O)(=O)N1CCOCC1 222918677 ROZPVCCPRACDTC-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 223939501 KOZGTOQMZRYRNZ-OAHLLOKOSA-N 433.530 2.628 0 40 IFAB COCc1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 224324317 XQVKLQOMVWRBLE-UHFFFAOYSA-N 436.555 2.828 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 225964630 WTBVBAXJGDWWSO-UHFFFAOYSA-N 445.570 2.780 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408652870 DFLGQQQAPHJESD-MASOJFRBSA-N 437.279 2.671 0 40 IFAB O=C(NC[C@H]1CCCO1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 408714835 PTJJUCJNPWPYFF-DNVCBOLYSA-N 436.917 2.592 0 40 IFAB O=C(C1CC(F)(F)C1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccnc1)C[C@H]2c1ccccc1 1565555654 FNUNKGCJFGWNKF-GBXCKJPGSA-N 441.478 2.851 0 40 IFAB C[C@@]1(c2cccc(C(=O)N3CCc4c(F)ccc(Br)c4C3)c2)NC(=O)NC1=O 1625367866 DCHYVUCCIXNHCC-FQEVSTJZSA-N 446.276 2.841 0 40 IFAB O=C(NCCc1c[nH]c2c(Cl)cccc12)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1642963087 NLKNONYXJQZUQF-OXJNMPFZSA-N 443.906 2.824 0 40 IFAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC1)CC(=O)N2C 1772596199 UMNIRFANWMQKPB-UHFFFAOYSA-N 442.463 2.757 0 40 IFAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888863879 SPQKDXGODULETL-ZIAGYGMSSA-N 439.459 2.712 0 40 IFAB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2134189 PSWBNFCDLVFUFQ-XHSDSOJGSA-N 434.496 2.563 0 40 IFAB biogenic COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@H]1c1cccc(Cl)c1 2196242 JPIWEYDYKWSXRG-RDJZCZTQSA-N 430.888 2.857 0 40 IFAB C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCCc2ccccc21 3310719 UQIXBHQIEDKNCD-LBPRGKRZSA-N 435.274 2.683 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccccc2OC)n1N 3351623 BKPWNAXHRHAIGO-UHFFFAOYSA-N 429.502 2.764 0 40 IFAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1 4003622 LIQVUJFGXUVFQB-UHFFFAOYSA-N 444.466 2.781 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)N2CCCC2)cc1 8724371 PKOCWSZDPQNWOM-JOCHJYFZSA-N 443.569 2.584 0 40 IFAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 9284803 KYXLYSAPTBLDPN-OAHLLOKOSA-N 426.494 2.895 0 40 IFAB Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1C 9851692 JRIFXVKTAXHFNU-UHFFFAOYSA-N 427.512 2.849 0 40 IFAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4F)c(-c4ccccc4)cn23)n(C)c1=O 10271941 HKLIVSHYRCHECS-UHFFFAOYSA-N 431.427 2.534 0 40 IFAB NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2Cl)CC1 10742275 GTHORAPWPWYKGE-LJQANCHMSA-N 425.920 2.750 0 40 IFAB O=C(Cc1ccc(F)cc1)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21 12071464 GUNZAHXXQHDAEH-UHFFFAOYSA-N 439.878 2.793 0 40 IFAB CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 12231474 XZSCFBNZOIJXLM-UHFFFAOYSA-N 426.908 2.811 0 40 IFAB Cc1nc2c(c(N3CCC(C(N)=O)(N4CCCCC4)CC3)n1)CCN(Cc1ccccc1)C2 12338364 ZEYOVIRZDQSVTL-UHFFFAOYSA-N 448.615 2.654 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(OC)c3)[nH]c2=O)cc1 12347773 LEEGRVXUZBIJAA-UHFFFAOYSA-N 426.498 2.894 0 40 IFAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(C)c(C)c2)cc1 12462280 GGLBFRSKNRYGBO-UHFFFAOYSA-N 429.480 2.968 0 40 IFAB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1NS(C)(=O)=O 12520985 AIPPYGIEJPYGMP-KBPBESRZSA-N 438.575 2.685 0 40 IFAB C[C@@H](SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1nc2ccccc2[nH]1 12556694 CDEQURQUDNQCMU-MRXNPFEDSA-N 444.582 2.890 0 40 IFAB CC(C)CN(C(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)[C@H]1CCS(=O)(=O)C1 12633924 YCYNWJPFANYRIM-YJBOKZPZSA-N 434.587 2.825 0 40 IFAB COCCNC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 12662376 FWDVGYOSQDFJDE-DEOSSOPVSA-N 432.480 2.784 0 40 IFAB biogenic CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O 12698850 UKUKVUHICXLRDY-UHFFFAOYSA-N 441.269 2.730 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 12791567 MCQPKOPPHLQIDX-RBSFLKMASA-N 434.027 2.601 0 40 IFAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl 12850049 MLLPAEBVQIHGOW-UHFFFAOYSA-N 440.905 2.817 0 40 IFAB O=C(NCCc1ccccc1F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12944267 XIHFEDIVAGNRKP-UHFFFAOYSA-N 425.913 2.738 0 40 IFAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 13147848 DCPLESQXFDYVPX-UHFFFAOYSA-N 446.525 2.708 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 13631864 BRLHJJRJLYZIRF-UHFFFAOYSA-N 426.922 2.830 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)c1C 15940989 GWMYRCNZQDUAHJ-UHFFFAOYSA-N 445.585 2.945 0 40 IFAB N=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)S1 19644028 LCXUXYYCSDBJSV-INIZCTEOSA-N 445.884 2.875 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)Cc1ccc(C)c(C)c1)CC2 19710244 FHERTDBEBXWVTL-HXUWFJFHSA-N 435.572 2.988 0 40 IFAB Cc1n[nH]cc1C(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19738892 IWVJJNBSVRTCJB-IBGZPJMESA-N 444.539 2.968 0 40 IFAB COCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20051699 UUDNPGQDWSQFFJ-UHFFFAOYSA-N 429.546 2.986 0 40 IFAB CCC(CC)[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCOCC1 22899048 KRDJYVKZIRGDHA-NRFANRHFSA-N 426.561 2.925 0 40 IFAB O=C(CSc1ccc2c(c1)OCCO2)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 28234406 RSLJBVOPLQUHJC-CQSZACIVSA-N 439.580 2.827 0 40 IFAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)NCc1nnc2ccccn12 29928202 WRFFBSZPEJXHOB-UHFFFAOYSA-N 434.525 2.662 0 40 IFAB CC1=C[C@@H](CNC(=O)c2ccccn2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 30880002 LKNXZPGZTVVXCC-FKBYEOEOSA-N 442.604 2.505 0 40 IFAB biogenic,in-vitro CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 44902892 GDLAKHILQONJHP-SFHVURJKSA-N 440.529 2.876 0 40 IFAB O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1N1CCCCC1 49469279 CBLKPRCOYHJKQL-UHFFFAOYSA-N 444.557 2.735 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CCC2)cc1 61562426 ZPRXPXRSOQVRNY-UHFFFAOYSA-N 444.557 2.585 0 40 IFAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c(OC)c1 67226055 QOMXNKONVJRKPU-CYBMUJFWSA-N 443.529 2.745 0 40 IFAB CCN(CC)Cc1cc(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)co1 72338856 IIOUASBBCYJSRT-OAQYLSRUSA-N 446.573 2.704 0 40 IFAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(C(=O)c2cc(C)on2)CC3)c1 96146952 WSQCURFWMDLUSK-UHFFFAOYSA-N 426.498 2.619 0 40 IFAB Cc1cc(NC(=O)c2ccc3c(c2)[C@@H](c2ncn(C(C)C)n2)CN3S(C)(=O)=O)ccn1 96267811 KOTUKCOEIYAXBD-SFHVURJKSA-N 440.529 2.726 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 107450052 CUGWRTDSJIMDHZ-BJTMDGIMSA-N 448.585 2.670 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1ccccc1F 223459502 KTIWNEUXGKFSPW-UHFFFAOYSA-N 439.940 2.590 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223607190 GGLVYPIQGZCDCZ-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CCc1cc(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)ccc1OC 223622307 CRRLVFZNYHBPDX-UHFFFAOYSA-N 433.486 2.803 0 40 IFAB COc1ccccc1/C=C/C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224277164 AZOGYECGGRXKSB-MDWZMJQESA-N 430.526 2.688 0 40 IFAB CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225201857 RALYZUOCXWRCID-LJQANCHMSA-N 429.586 2.967 0 40 IFAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225461515 IYPBSKIVWZYAQO-QGZVFWFLSA-N 449.548 2.534 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc21 225696287 MFFJGRSORGKKNC-UHFFFAOYSA-N 438.527 2.587 0 40 IFAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)C[C@H]2CCS(=O)(=O)C2)C3)cc1 248178893 BZNSTISJBPZJRT-AYOQOUSVSA-N 444.557 2.604 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1 257338462 YXMRKNNRWZBMPB-SFHVURJKSA-N 445.476 2.525 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 408593433 QGJCARXAQWDDEV-SFHVURJKSA-N 436.505 2.633 0 40 IFAB COc1c2c(c(CNC(=O)c3ccc(NC(=O)C(C)C)cc3)c3c1OCO3)CCN(C)C2 524729545 YASKHFOLIWPVQR-UHFFFAOYSA-N 439.512 2.936 0 40 IFAB biogenic CN(C)CC(=O)N1CC2(CCN(C(=O)Cc3ccccn3)CC2)c2cc(Cl)ccc21 585104863 UVFPCMOPVKKTJS-UHFFFAOYSA-N 426.948 2.746 0 40 IFAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)N3CCOCC3)c2C1 643575052 DEPCJCHLEJRARJ-UHFFFAOYSA-N 431.577 2.686 0 40 IFAB COc1cc(NC(=O)COC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc(OC)c1 2641042 VUXDJWGVHRQWGI-UHFFFAOYSA-N 425.441 2.790 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCCCC2)cc1 3281300 FPIZFXBGTCBDEP-XMMPIXPASA-N 434.496 2.845 0 40 IFAB COc1ccc(CNC(=O)CCc2nnc3n(CC(C)C)c(=O)c4ccccc4n23)cc1 8604890 JMPFVYJMCOREKZ-UHFFFAOYSA-N 433.512 2.958 0 40 IFAB COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1 9243477 IIQIIMURHGDLBG-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB COc1ccc(N(C(=O)c2ccc(OC)c(OC)c2)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 9416105 BHMAQHFYJCNMRD-OAHLLOKOSA-N 433.482 2.679 0 40 IFAB COc1ccc(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 9464859 CXZAXSWOAVCFKZ-UHFFFAOYSA-N 443.529 2.505 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 9467549 VGFURWSEOLHSAI-IQMFZBJNSA-N 425.533 2.598 0 40 IFAB CC(=O)N[C@@H]1[C@@H](Oc2ccc(C(C)(C)C)cc2)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 9640489 FKJUUKVGJGPQSF-CIQOUTPZSA-N 431.485 2.661 0 40 IFAB CCCCCn1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)c2ccccc2c1=O 9781764 LPFWAJWVDQXUIM-FQEVSTJZSA-N 437.496 2.806 0 40 IFAB Cc1ccc(Cn2nccc2NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9782792 LEVLQQFOULQGDX-UHFFFAOYSA-N 440.525 2.513 0 40 IFAB CC(C)[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 9793388 YCJVDJOMWYUMRJ-NRFANRHFSA-N 447.557 2.905 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O 9985669 KNDLITRGKXMGRH-GYCJOSAFSA-N 441.528 2.646 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cncc(Br)c1 10774684 FZYLPEPMKBUEAU-UHFFFAOYSA-N 430.349 2.620 0 40 IFAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130197 SMHRLSXBOUUXKU-LSDHHAIUSA-N 446.360 2.737 0 40 IFAB Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1C[C@@H]1COc2ccccc2O1 12766443 GXURVLXAGPOCLZ-LJQANCHMSA-N 425.529 2.682 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1csc(-c2ccc(F)cc2)n1 12895216 YYDXIAXAHWWWGC-UHFFFAOYSA-N 433.530 2.857 0 40 IFAB Cc1ccnc2nc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)nn12 12904185 BPRKGIYCMKCALS-ZDUSSCGKSA-N 440.529 2.534 0 40 IFAB CC(C)c1ccc(Nc2nnc(SCC(=O)NC(=O)CN3CCCC3=O)s2)cc1 16046155 LWMJIBVHICXXPI-UHFFFAOYSA-N 433.559 2.762 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSCc1ccccc1 18105605 DOBXWKSNQRRUBN-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 19298073 GQJXNNTUXJXTCJ-IAGOWNOFSA-N 429.521 2.999 0 40 IFAB O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)C1 19336698 HYUVTUBBICEMDR-AEFFLSMTSA-N 442.534 2.915 0 40 IFAB CCN1CCN(C(=O)CCn2cccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527370 JGYSESNCPXEPAI-HSZRJFAPSA-N 431.540 2.885 0 40 IFAB Cn1cc(-c2ccc([C@H]3CCCN(C(=O)Cn4c(=O)n(C)c5ccccc54)C3)nc2)cn1 19689193 CXNJFAQRLYZUPM-SFHVURJKSA-N 430.512 2.542 0 40 IFAB O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 23075384 WCKMJSDNGQYAJC-OAHLLOKOSA-N 437.481 2.536 0 40 IFAB CN(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)s1 24114935 NIMZOBOSLVUUJU-UHFFFAOYSA-N 442.006 2.934 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc(C(=O)OC)c1 24833634 JNHSUINKRLMLQF-MRXNPFEDSA-N 430.482 2.955 0 40 IFAB O=C(CSc1nncn1-c1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 28482286 LMCLXWWVVRLUTA-UHFFFAOYSA-N 435.553 2.639 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30174535 KOUYXSCKZVGVLO-CYBMUJFWSA-N 436.262 2.528 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 30624237 DPJHPKRQUJNMEO-KRWDZBQOSA-N 425.533 2.539 0 40 IFAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 32719775 OUWXFOTWDNVJJX-SFHVURJKSA-N 447.557 2.813 0 40 IFAB C[C@@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 32911178 MHBIIAJVTZQTCG-LLVKDONJSA-N 435.358 2.691 0 40 IFAB COc1ccccc1CCNC(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325372 TUMHMJIHMZJFKR-INIZCTEOSA-N 445.566 2.952 0 40 IFAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(O)CC3)cc2c1 57589459 MCBUYXCINDYNKF-JOCHJYFZSA-N 448.502 2.557 0 40 IFAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(c2ccccc2F)CC1 61925459 JAXWURHUQDZHBA-UHFFFAOYSA-N 440.475 2.863 0 40 IFAB COc1cccc(-c2cc3c(N4CC(=O)N(CCc5ccccc5)C(=O)C4)nccn3n2)c1 67284930 CBJPRFXMOVMXDS-UHFFFAOYSA-N 441.491 2.823 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCc1cccnc1 72327659 HCQKUYJNDBUCSV-QFIPXVFZSA-N 427.888 2.768 0 40 IFAB Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCN(c3ccc(Cl)c(Cl)c3)CC1)CS2 90609605 KIGKLNBDLNSMLM-ZDUSSCGKSA-N 439.368 2.929 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 96230907 AHGLDBDJWXRFGQ-QFIPXVFZSA-N 434.540 2.668 0 40 IFAB CCCC[C@@H](CC)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 96997128 AIIOBDAUANPUFH-IEBWSBKVSA-N 425.595 2.548 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)OCC(=O)NC3CCCCC3)[C@@H]4C2=O)c1 100435241 XICHVSHOOMAYPQ-KUQPJALBSA-N 438.524 2.582 0 40 IFAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC(c3nnc4n3CCCCC4)CC1)C(=O)C2 100739246 UZPCJTQVFPYZHW-HTAPYJJXSA-N 434.606 2.909 0 40 IFAB CCOCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(OC)ccc21 101042145 RAXVJALZJRSAHF-MRCUWXFGSA-N 434.539 2.893 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220334948 IDEXJJFYMUGXSB-HNNXBMFYSA-N 434.514 2.892 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccccc1F)S(C)(=O)=O 220607481 QZXAWJVDVBBJOR-INIZCTEOSA-N 432.477 2.737 0 40 IFAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 223479190 DNEWXRZUIOTBBV-HSZRJFAPSA-N 427.520 2.754 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OCC)c(OCC)c2)ccc1OC 223850890 GGEOZLJNWGBKEN-UHFFFAOYSA-N 436.530 2.721 0 40 IFAB COC(=O)CSc1nnc(NS(=O)(=O)Cc2ccc(Br)cc2)s1 225042452 MNSXGNCIQODDMO-UHFFFAOYSA-N 438.350 2.508 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCOc2ccccc2)s1)c1ccccc1Cl 225105517 DLVZDZVITBIBDO-UHFFFAOYSA-N 438.918 2.801 0 40 IFAB COc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 225537779 JWIIBXAUAYFTAA-SFHVURJKSA-N 434.533 2.984 0 40 IFAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 306134543 NRAACQDLQUXKEG-UHFFFAOYSA-N 438.513 2.615 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cc1F 390829711 GAXGEFHESDLYQE-KRWDZBQOSA-N 433.548 2.836 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 408597522 XFRPZPZXVODTNY-LSDHHAIUSA-N 440.949 2.909 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408655977 DXGNUUWYZDVGGY-LSLOVBDISA-N 439.295 2.896 0 40 IFAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 522513069 AUZSPIVHIHSYSL-NFBKMPQASA-N 439.512 2.710 0 40 IFAB CSCC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1c(O)nc2ccccc2c1=O 524735344 VKQBNIMXWUBWPK-SFHVURJKSA-N 426.498 2.993 0 40 IFAB CCc1ccc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)cn1 2055793306 NGJOWIIZLYNNPW-XMMPIXPASA-N 436.560 2.777 0 40 IFAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)ccc21 1013110 NKCLLQXWOWZHLX-LICLKQGHSA-N 440.456 2.691 0 40 IFAB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)OCC(=O)NCC(F)(F)F)c1 3322711 FMBPHRXDPXAUPS-UHFFFAOYSA-N 448.394 2.770 0 40 IFAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2cc(C)on2)cc1OC 3430955 FTYCNLJSNMYBAY-UHFFFAOYSA-N 429.385 2.641 0 40 IFAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C[C@@H]1CCCO1)C(=O)C(=O)NC1CCCC1 4895595 SAUWOMUTCULRKA-PMACEKPBSA-N 429.561 2.709 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1c[nH]c2ccccc12 9492963 QHWBIBNPKHGJAJ-UHFFFAOYSA-N 443.525 2.769 0 40 IFAB COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 9584543 TUBLTDIIGNXSIX-UHFFFAOYSA-N 436.555 2.755 0 40 IFAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 9632102 NWJCDENRZBNXRM-OENGIGCFSA-N 442.537 2.862 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 10454744 VSNDREQRWYBTAQ-AWEZNQCLSA-N 434.514 2.958 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)CC1 10541876 BETSPEMJOLTLQH-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB CCCc1n[nH]c(SCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)n1 11465566 NXIUZHSLYBQDHY-UVTDQMKNSA-N 449.533 2.841 0 40 IFAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](C1(C)CC1)N3)C2 12143188 WKHWOGSKRPQKKA-CABCVRRESA-N 436.438 2.561 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(C(=O)c3ccco3)C2)on1 12184128 VYKDPPYIWKUVSX-KRWDZBQOSA-N 436.516 2.805 0 40 IFAB COc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@@H]2CCCO2)cc1 12535306 KVFOWPGTKPMRHQ-IBGZPJMESA-N 432.480 2.789 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4cccc(C)c4)CC3)CC2)cc1 12563498 ANZDHLBDCABTIO-UHFFFAOYSA-N 434.584 2.664 0 40 IFAB Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3ccccc3Br)CC2=O)cc1 12762323 ODWRTNFRKDTFHS-MRXNPFEDSA-N 444.329 2.861 0 40 IFAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 12850121 ZUJBASMXRJSYIT-UHFFFAOYSA-N 443.500 2.796 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3F)CC2)c1 12863293 HMSBJPLCJHFQPI-UHFFFAOYSA-N 435.521 2.537 0 40 IFAB CCCCN(C(=O)CCc1ncc(-c2ccccc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O 12890180 QMAMYFYPYQEKQX-UHFFFAOYSA-N 439.516 2.950 0 40 IFAB CSc1nc(C)c(CCC(=O)Nc2ccccc2I)c(=O)[nH]1 12928898 SDJFXWKXYWHYKH-UHFFFAOYSA-N 429.283 2.976 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 12974003 IEPPEFCQRZMDAB-UHFFFAOYSA-N 434.949 2.888 0 40 IFAB Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)nn2)c(C)c1C 13009421 JCAHLYBFRBNVJB-UHFFFAOYSA-N 446.964 2.752 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3CC)CC2)cc1 13032027 RDVVYYLKQWPOLS-UHFFFAOYSA-N 445.585 2.901 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1 13063466 NQOJJJDXFNELGY-UHFFFAOYSA-N 435.619 2.721 0 40 IFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1 13133457 GIIXSQXRGIFYEE-HXUWFJFHSA-N 430.302 2.841 0 40 IFAB CC(n1cc(C[C@H](N)C(=O)O)c2ccccc21)n1cc(C[C@H](N)C(=O)O)c2ccccc21 13818319 DETVQFQGSVEQBH-PMACEKPBSA-N 434.496 2.572 0 40 IFAB endogenous,in-man CCOc1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1S(=O)(=O)N(C)C 14268756 IQPMXHPIHLBASC-UHFFFAOYSA-N 430.412 2.536 0 40 IFAB CCOC(=O)C(NC(=O)CSc1cc(C)c(Br)cc1C)C(=O)OCC 16478059 HNLBZTISNDHUOI-UHFFFAOYSA-N 432.336 2.769 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 17094903 YWBPPUGIRVBOCM-WOSNLTMFSA-N 426.513 2.753 0 40 IFAB COc1ccc(C(=O)N(C)OC)cc1S(=O)(=O)Nc1ccc(Br)cc1 17793274 PHTKCTNPBLMXPR-UHFFFAOYSA-N 429.292 2.892 0 40 IFAB Cc1ccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)cc1 19208556 LXTXZADMLWKEGQ-HSZRJFAPSA-N 444.597 2.724 0 40 IFAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c2=O)C1 19501654 VBVUFIGYEMIBAA-FQEVSTJZSA-N 440.519 2.890 0 40 IFAB COc1cc(CC(=O)N2CCC[C@@H](c3cc4cccnc4c(=O)[nH]3)C2)cc(OC)c1OC 19549626 DUMPCEBEJKOATG-QGZVFWFLSA-N 437.496 2.898 0 40 IFAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 20021458 BBNFOHCNVZHPHZ-ZDUSSCGKSA-N 441.347 2.956 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 21693590 MRHKJSZLOSVLCN-QGZVFWFLSA-N 442.468 2.767 0 40 IFAB COc1cccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)c1 23105936 AVQWXJDPRDPFDA-LJQANCHMSA-N 430.501 2.524 0 40 IFAB C[C@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O 23151360 NTFHNBOUTLDQLW-VBKZILBWSA-N 443.525 2.767 0 40 IFAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 25661698 CSIYOKUPRXMTJH-HXUWFJFHSA-N 432.586 2.730 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1C 30319811 DGIOHZGRARZQTL-UHFFFAOYSA-N 434.514 2.814 0 40 IFAB NC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)ccc1F 31987791 LYXNREUKVILUCU-FQEVSTJZSA-N 431.423 2.771 0 40 IFAB CCN1CCN(C(=O)[C@@H](C)OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 32893195 IXXHGZUBMPXMSW-MRXNPFEDSA-N 428.508 2.600 0 40 IFAB O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 33480728 ZYDNIRDVDUHLGL-CPNJWEJPSA-N 441.403 2.728 0 40 IFAB COCc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)oc2ccccc12 69291001 MKSBOTZVWSXKMI-UHFFFAOYSA-N 428.510 2.867 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2)nc2c1CN(C(C)=O)CC2 72380192 JFZZRSNGYYCSGN-NRFANRHFSA-N 437.544 2.728 0 40 IFAB CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 79074169 DMJRPWDKBCNFOF-AWEZNQCLSA-N 448.511 2.860 0 40 IFAB COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1 95456450 LDBZECHJLWZJSG-OAQYLSRUSA-N 443.569 2.584 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)c(OC)c1OC 96231985 QKDSLOXRIYDBPJ-UHFFFAOYSA-N 428.533 2.662 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1 101169728 QULHZFYIYZOCNT-ROUUACIJSA-N 445.838 2.810 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)c(Cl)c1 222834078 CNTYQFFVKANMSW-AWEZNQCLSA-N 438.933 2.621 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)s1 223969773 ICHHQYFJNHXDPY-LLVKDONJSA-N 430.577 2.842 0 40 IFAB CCOc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 224344055 DWDYZHBPEYSGHB-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccccc3C)s2)c1 225132843 JIQFMCSVGVBBRG-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)s1 225446979 KHOWBTSBZGEGKM-UHFFFAOYSA-N 445.526 2.617 0 40 IFAB COCC(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 257218503 DDJHEVLLCHFCKH-FQEVSTJZSA-N 427.549 2.647 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccnn2C(F)F)CC1 257224246 FAXYRGAXBLZSDP-SFGWALBWSA-N 434.487 2.728 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257291227 QGENJFKTTXGVNS-SPMMERNZSA-N 425.529 2.776 0 40 IFAB COc1ccc(OC)c(CC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1 585169004 JLTDJZUGVRSWST-QHCPKHFHSA-N 445.519 2.878 0 40 IFAB COc1ccccc1N1CCN(CC(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)C1=O 670497510 JUMUVFYLJVAOAZ-KRWDZBQOSA-N 447.495 2.560 0 40 IFAB O=C(NCCc1c[nH]c2c(Cl)cccc12)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1642963093 NLKNONYXJQZUQF-UZLBHIALSA-N 443.906 2.824 0 40 IFAB Cc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c2c1 1074333 SDPLPRRZFMFTQF-UHFFFAOYSA-N 447.582 2.628 0 40 IFAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(I)cc1 3618958 XUZGUDMWSTXBDJ-UHFFFAOYSA-N 437.266 2.998 0 40 IFAB CCOc1nc(NC(=O)NS(=O)(=O)Oc2cccc(C)c2)nc(-c2ccccc2)n1 3624366 KQTPHLPGRSJPBU-UHFFFAOYSA-N 429.458 2.691 0 40 IFAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1OCC 6601910 FJIDBQAJWHHUOI-UHFFFAOYSA-N 425.445 2.547 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NC23CC4CC(CC(C4)C2)C3)c1 9031536 JQIUBGNAAVPSKV-YLSHDAJPSA-N 448.585 2.942 0 40 IFAB O=C1C[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc2c(c1)OCO2 9037516 AFTQIPIAOJZZTQ-GFCCVEGCSA-N 442.415 2.766 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(C)c3)s2)cc1OC 9251772 AUEXZPJDJRGUBK-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1n[nH]c(=O)c2ccccc12 9493982 HATNTHPQTYRUON-UHFFFAOYSA-N 438.484 2.809 0 40 IFAB Cc1ccc(Cl)c(OCC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 9507856 QBEOEWZDRYSRCE-UHFFFAOYSA-N 434.832 2.690 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 9576648 BCDIKOIITDZCLA-UHFFFAOYSA-N 428.938 2.540 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 9637054 RZTGLIOOBLQUQU-CVDCTZTESA-N 437.521 2.854 0 40 IFAB CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)O 9783282 XCKMXWJBTCMNHY-KRWDZBQOSA-N 428.576 2.576 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c1 9828814 CGKKGBQGOREFLI-UHFFFAOYSA-N 434.500 2.522 0 40 IFAB O=C(/C=C\c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 10256376 QZWBNYAUBLTRAC-KTKRTIGZSA-N 429.459 2.712 0 40 IFAB CC1CCN(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 10540637 KKRZHPVHKMFRQD-UHFFFAOYSA-N 436.405 2.998 0 40 IFAB COCCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696096 UUVKYJWOQKBXMG-KRWDZBQOSA-N 442.541 2.533 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 11916784 MUPBCRNCORBJHY-INIZCTEOSA-N 445.516 2.992 0 40 IFAB O=C(CN1CCC2(CC1)Nc1cc(Cl)ccc1C1=NCCN12)NCc1cccs1 12086101 WSWAZBBXVRXUEL-UHFFFAOYSA-N 429.977 2.998 0 40 IFAB O=C(c1ccc(N2CCCC2)cc1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089456 XIDJVNBUSKWQMS-JOCHJYFZSA-N 440.569 2.869 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)CCC3)c1 12211351 BBUAZCVCOSRYQY-UHFFFAOYSA-N 429.542 2.574 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 12237723 IYXYCJMVMIJPAH-UHFFFAOYSA-N 436.859 2.833 0 40 IFAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cc(C)cc(C)c2)cc1 12445758 WEZWIQSIYLPQJU-UHFFFAOYSA-N 429.480 2.968 0 40 IFAB C[C@H]1CN(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)C[C@@H](C)O1 12634973 OMUXUCYRLSPZDL-BETUJISGSA-N 430.555 2.567 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc1 12899310 KLUBWSKKEFRFPX-UHFFFAOYSA-N 445.566 2.980 0 40 IFAB C[C@H](CNS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 15081317 LENCUNYTTMYRJV-BTVRXIIASA-N 432.586 2.942 0 40 IFAB CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccco1 18411164 LHINZHWVQUOGTO-NRFANRHFSA-N 440.452 2.965 0 40 IFAB CC(C)c1ccc([C@H]2N=C3NCN(N4CCN(C)CC4)CN3c3nc4ccccc4n32)cc1 19172404 NIGDKIVUUNQZFI-QHCPKHFHSA-N 444.587 2.865 0 40 IFAB CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)CC(C)(C)C)CC1 19451687 FKJYNXYUOKQWBA-UHFFFAOYSA-N 445.589 2.931 0 40 IFAB CCc1ccc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@H](C(N)=O)C4)on3)CC2)s1 19522928 FFKVWOJFITWUHI-HNNXBMFYSA-N 444.557 2.656 0 40 IFAB COc1ccccc1CCC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@@]2(COCCC(=O)N2)C1 19569911 BALQSBJGFHAGSJ-UUOWRZLLSA-N 444.478 2.807 0 40 IFAB Cc1cc(C)n(CC(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccc(F)cc2)n1 19573427 MWPGNMTZHKEQNP-OAQYLSRUSA-N 446.486 2.885 0 40 IFAB O=C(c1cccc(-n2cnnn2)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605504 GGGQOUKMOLZPMQ-UHFFFAOYSA-N 431.525 2.744 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCCC2)CC1 23254171 JEVKUKFTRHHVMN-KRWDZBQOSA-N 436.984 2.614 0 40 IFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 25188620 WVEKFRXEGYPCAW-UHFFFAOYSA-N 437.496 2.618 0 40 IFAB Cc1nc(CSCCC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cs1 40107862 YIAYNSZCMDVAGQ-UHFFFAOYSA-N 432.615 2.779 0 40 IFAB O=C(CNC(=O)c1ccccc1Oc1ccccc1)Nc1cccc2c(=O)[nH]nc(O)c12 48355377 ORNUGBJRNQEFRS-UHFFFAOYSA-N 430.420 2.790 0 40 IFAB Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 49575573 JKUYJRTWWHJEFW-UHFFFAOYSA-N 434.283 2.994 0 40 IFAB CCN(CC(=O)Nc1ccc(C(C)=O)cc1)Cc1nc(=O)c2cc(OC)c(OC)cc2[nH]1 58160564 MCXOXDQRIHGBRW-UHFFFAOYSA-N 438.484 2.604 0 40 IFAB COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 96099635 CHVUHOYIWOOMIY-UHFFFAOYSA-N 429.947 2.976 0 40 IFAB CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)CC1 100795920 NFLMBAJPCIVHSK-NNWRFLSQSA-N 427.589 2.900 0 40 IFAB COc1cc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c(OC)cc1Cl 220055879 ANCNCDLAVLIRNW-UHFFFAOYSA-N 438.999 2.771 0 40 IFAB COc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)cc1 220152373 XXQYVFPDARFVJS-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 223698665 CXQVAROQCYCBRR-KRWDZBQOSA-N 434.543 2.779 0 40 IFAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)COc1ccc(Cl)cc1Cl 224360570 JNKONYAKGVRXAC-UHFFFAOYSA-N 426.304 2.704 0 40 IFAB CN(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 225552193 QMWBLZBICHDVND-QGZVFWFLSA-N 435.977 2.993 0 40 IFAB O=S1(=O)CC[C@H](S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)C1 247314101 JLXGPDMDOXBTIA-FUHWJXTLSA-N 442.534 2.915 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@H](Cc3cc(Nc4cc(C)n[nH]4)nc(C)n3)C2)CC1 257325187 WRWIIMIVDKFLDM-GOSISDBHSA-N 439.564 2.600 0 40 IFAB COCCN1C[C@@]2(CCN(Cc3cc(C)cc(C)c3)C2)Oc2ccccc2S1(=O)=O 306126520 DYDAJRIKQWUDMM-QHCPKHFHSA-N 430.570 2.978 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@](O)(c3ccoc3)c3ccco3)n(C)n2)c1 390827025 SIBPIOXXWLIWCU-QHCPKHFHSA-N 437.452 2.956 0 40 IFAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)c1 408549043 WBQUCCJDKSGUSY-UHFFFAOYSA-N 429.542 2.750 0 40 IFAB CC(C)OCCCNS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408601302 FHLWTVRTTAMECO-QGZVFWFLSA-N 426.579 2.996 0 40 IFAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C(=O)N3CCOCC3)C[C@H]21 514289329 IISIDICGUNGCGZ-CTNGQTDRSA-N 443.450 2.601 0 40 IFAB biogenic,in-vitro O=c1cc(CN2CCOC[C@H]2c2ncn(Cc3ccccc3)n2)nc2ccc(Cl)cn12 560175487 RWUFLWNYDZNSMP-IBGZPJMESA-N 436.903 2.561 0 40 IFAB Cc1c(CCC(=O)N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@H]32)c(=O)oc2c(C)c(O)ccc12 583652774 CXFUZNOBMAUAAY-FUHIMQAGSA-N 438.524 2.907 0 40 IFAB biogenic CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N=c3cc[nH]cc3)cc2C1 1848441843 VELJCFBDCCWECI-UHFFFAOYSA-N 438.572 2.964 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)CC2)C1 2037845688 GPXOVCQRHLAOIV-QFIPXVFZSA-N 433.568 2.649 0 40 IFAB CSCC[C@H](N)C(=O)N1CCC2(CCCCc3ccccc3OCCN(C)C2=O)CC1 2037883957 KTXMBCQNFAMBDX-FQEVSTJZSA-N 447.645 2.939 0 40 IFAB COc1ccc(OC)c2sc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2087147318 WPYMZXVMDISUPO-AWEZNQCLSA-N 427.473 2.776 0 40 IFAB COC[C@@H](C)n1c(SCC(=O)NC(=O)NC2CCCCC2)nc2ccccc2c1=O 2624143 MTLUCCDYRHQDDN-CQSZACIVSA-N 432.546 2.855 0 40 IFAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C(C)C)cc1 3517934 QZQWZECQTLWQSY-FQEVSTJZSA-N 447.557 2.729 0 40 IFAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N1CCCC1 9216837 YTVYEGLKIAZKSM-SFHVURJKSA-N 447.557 2.640 0 40 IFAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)s1 9317667 QFGIYRCUSFDZMZ-AWEZNQCLSA-N 435.571 2.846 0 40 IFAB CN(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 9420742 MBAYIVOBDPUSEO-AWEZNQCLSA-N 445.570 2.797 0 40 IFAB C[C@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc2c(c1)OCCO2 9466323 GVMNGDBYJDQWLU-LBPRGKRZSA-N 437.418 2.623 0 40 IFAB COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)c1 9519955 CJYUQRUOUKZUHE-IBGZPJMESA-N 436.512 2.535 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 9569955 FAMFRPQKCLPHIQ-UHFFFAOYSA-N 449.592 2.610 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 9674599 JGRXYGGBYMPHDP-QZTJIDSGSA-N 427.848 2.671 0 40 IFAB CCS(=O)(=O)N1CCN(c2ncc(-c3nccn3C)c(-c3ccc(Cl)cc3)n2)CC1 12221262 SKPSBTAVBINKEY-UHFFFAOYSA-N 446.964 2.669 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=C(c2ccccc2)SCCO1 12391377 OQMCVYQACYQNTM-UHFFFAOYSA-N 446.550 2.778 0 40 IFAB CC[C@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 12516845 SJMLUKAFCKMRIZ-HKUYNNGSSA-N 442.025 2.585 0 40 IFAB CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)CC(F)(F)F)c1 12521165 JVPZAMRZZDHPBM-UHFFFAOYSA-N 444.431 2.806 0 40 IFAB Cc1cnc2c(S(=O)(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)cccc2c1 12589448 IYKIJUXVMKGEGH-MRXNPFEDSA-N 436.580 2.983 0 40 IFAB CCn1c(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21 12627624 GMWPLIBWSPBHRQ-UHFFFAOYSA-N 446.529 2.811 0 40 IFAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N1CCN(Cc2ccccc2C)CC1 12790374 NAHDLTUSNWKTIX-UHFFFAOYSA-N 438.572 2.608 0 40 IFAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](C)NC(=O)c1ccccc1C(=O)OC 12883613 XXCDIHJKVABRPZ-CQSZACIVSA-N 438.480 2.664 0 40 IFAB biogenic COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1C(=O)N1CCCC1 13669187 YPCQMYWAASIUQE-QZTJIDSGSA-N 437.606 2.578 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N4CCC[C@H]4CO)cc3s2)cc1 13724688 UXGOBONBQLOQEZ-AWEZNQCLSA-N 447.538 2.703 0 40 IFAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1OC 13858111 HRAUUYKWVTYBGR-LBPRGKRZSA-N 446.558 2.985 0 40 IFAB O=C(NCC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CCCCC1 14229622 FVDNRKVQXKJSHM-UHFFFAOYSA-N 428.396 2.851 0 40 IFAB Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 19133747 XHOPQJINLZWVMW-NTKDMRAZSA-N 443.613 2.870 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCOCC3)cc12 19134623 XFWFGJFVVQOSDB-HSZRJFAPSA-N 444.539 2.796 0 40 IFAB COCc1ccc(OC)c(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cnc(OC)nc2OC)c1 19594329 AZLMYHRTRNLUCM-QRQCMCJISA-N 443.544 2.769 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)n1 19690132 LRARIQWOMAVKQI-SFHVURJKSA-N 438.919 2.934 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4c[nH]nc4C)nc32)cc1 19739858 GVPGOXMBILGYIZ-HXUWFJFHSA-N 446.511 2.892 0 40 IFAB C[C@]1(C2CCN(C(=O)CN3CCOCC3)CC2)CCCCN(CCc2ccccc2)C1=O 19743990 IVAAOXODNUNPTI-AREMUKBSSA-N 441.616 2.819 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)Nc1ccc(F)cc1 19764943 VBKMKWNYXRYPHA-IBGZPJMESA-N 439.491 2.852 0 40 IFAB Cc1nnc(C)n1N1CNC2=N[C@@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2C1 20556177 UQQFJYMBUKZEGG-LJQANCHMSA-N 433.907 2.777 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 23654448 JLXHDPSTRSDTGN-UHFFFAOYSA-N 435.571 2.927 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1 26409220 ULEWKZOTSLCJFO-UZLBHIALSA-N 448.541 2.810 0 40 IFAB COc1cccc(-n2ccnc2SCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1 30031890 OBELOEJJEZZDCK-UHFFFAOYSA-N 441.538 2.930 0 40 IFAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 30866456 KRTQYGJRKLAGTA-HNNXBMFYSA-N 434.514 2.848 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(F)cc3F)n2N)c(OC)c1 32719445 IYRHYSSYGWTJTE-NSHDSACASA-N 449.483 2.924 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 32760558 KSFDLAIXTAGJNC-XMSQKQJNSA-N 448.571 2.939 0 40 IFAB O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NCCCN1CCCC1=O 32957591 ZCIVRBMIHBXNLW-UHFFFAOYSA-N 426.445 2.559 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 36589768 BNRCGFXRASFFRO-GCJKJVERSA-N 448.479 2.580 0 40 IFAB biogenic COc1ccc([C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 36656096 QAMHBISDJNNOCY-NRFANRHFSA-N 430.526 2.930 0 40 IFAB O=C(COC(=O)CNS(=O)(=O)c1cccs1)Nc1ccccc1-c1ccccc1 43775070 VJPXNTITQKGKJD-UHFFFAOYSA-N 430.507 2.875 0 40 IFAB COc1ccc(CCNC(=O)Nc2nnc(SCC(=O)Nc3cc(C)on3)s2)cc1 49362910 MXCGBOYVWNHNKB-UHFFFAOYSA-N 448.530 2.938 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)n3c(C)n2)cc1 65196649 GCNIGUNKBBRGOQ-UHFFFAOYSA-N 449.467 2.531 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccccc1Cl 67318848 QONTYCZCGYTENV-UHFFFAOYSA-N 425.872 2.766 0 40 IFAB Cc1cc(C)n(CCc2nnc(NC(=O)[C@H](c3ccccc3)N3CCOCC3)s2)n1 72392129 FHKAIFJKUUMPNV-IBGZPJMESA-N 426.546 2.606 0 40 IFAB COc1ccc(OC)c(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c1 100069169 QNCXNUUPKCZQTP-CQSZACIVSA-N 447.451 2.827 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 223789299 XJRZXFMYCULPRI-HNNXBMFYSA-N 444.513 2.558 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(OC)cc1 224807011 WOUANWDTVCSTFU-NRFANRHFSA-N 434.558 2.997 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccccc1 225104191 QQCGSEKITYUFPV-UHFFFAOYSA-N 432.542 2.608 0 40 IFAB CN1CCN(C(=O)c2cnc(N(C)C)nc2)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 257266104 MBPPBBLNHNKSHH-QFIPXVFZSA-N 447.514 2.874 0 40 IFAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CCn2cnnn2)CC1 257317649 VKPRVYROGGQVRJ-SHTZXODSSA-N 426.546 2.728 0 40 IFAB CC(C)N1C[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O 306135464 ORPFQIBTGZJTPF-QFIPXVFZSA-N 430.526 2.852 0 40 IFAB CCOc1ccccc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccccc1 408610369 QJXWLJNSDQZLDI-UHFFFAOYSA-N 442.541 2.684 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 408664894 PQIDTFCYKUJXGN-ZYNNUQKQSA-N 446.459 2.802 0 40 IFAB Cc1cccnc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555827 GAVYALQCWXCSRM-VWLOTQADSA-N 437.540 2.865 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(Br)cn3)CC2)cc1F 1260660197 HCHATIIIILTWHW-UHFFFAOYSA-N 446.298 2.619 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)nc(C)n1 6156122 SILUVYOYOLFCJQ-DLBZAZTESA-N 432.502 2.724 0 40 IFAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 8945711 BZUFCSUGAUXMMH-UHFFFAOYSA-N 440.529 2.697 0 40 IFAB COc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)Nc3ccc(F)cc3)c2cc1OC 9287116 YLSDDYZIAYFYNM-UHFFFAOYSA-N 449.438 2.947 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2ccccc2c1 9506971 QHDVYDRRUDHYKG-UHFFFAOYSA-N 442.493 2.894 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O 9579054 WIYDWXIGYQZYDP-UPCLLVRISA-N 440.544 2.566 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2cccc[n+]2[O-])c1 9580539 BLVSUVHJGWOHSV-UHFFFAOYSA-N 429.523 2.876 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(OC)c1 9761797 VIXLRNBOOVGGSQ-UHFFFAOYSA-N 437.452 2.744 0 40 IFAB CCOC(=O)c1cc(NC(=S)NC(=O)c2cccc(OC)c2)ccc1N1CCOCC1 9971582 UEEZNXOPTQLFJY-UHFFFAOYSA-N 443.525 2.835 0 40 IFAB COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 10111549 JBAVEERLVJZXMO-UHFFFAOYSA-N 439.965 2.530 0 40 IFAB COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2ncccn2)cc1=O 10254939 HCIXIOKDJVFLAS-UHFFFAOYSA-N 439.497 2.536 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)sc2c1CCC2 10861147 PTFFEFXILWSWDL-UHFFFAOYSA-N 445.526 2.739 0 40 IFAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12599565 HYIVNGJNAIXDHM-QGZVFWFLSA-N 432.498 2.558 0 40 IFAB CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 12681975 FDXGZSAXIGHYSJ-KRWDZBQOSA-N 434.587 2.663 0 40 IFAB O=C(NCCC(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3)Nc1ccccc1 12795698 KSIJXCOTUPHFHN-UHFFFAOYSA-N 426.498 2.890 0 40 IFAB CCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)s1 12878764 OTXBOLDTJQKFTQ-LBPRGKRZSA-N 444.966 2.854 0 40 IFAB C[C@@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 12908137 JTJXKOKXZWFZOG-ANYFNZRUSA-N 447.369 2.945 0 40 IFAB NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 12992632 NJIPFGPVSPHJKU-KRWDZBQOSA-N 426.516 2.603 0 40 IFAB Cc1ccc(-c2csc3ncn(CC(=O)N4CCN(c5ncccn5)CC4)c(=O)c23)cc1 13112437 UNHGAPSYJKCNLT-UHFFFAOYSA-N 446.536 2.572 0 40 IFAB COc1cccc(OC)c1C(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 13524710 WWQHBVRVBHELAD-UHFFFAOYSA-N 437.431 2.756 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13688937 CSHNSWRSQSIDIO-HDICACEKSA-N 435.446 2.695 0 40 IFAB CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c2nc3ccccc3nc21 14901079 PEFAVSMJKKEPJD-UHFFFAOYSA-N 445.932 2.630 0 40 IFAB COc1ccc(CN2CCC(CN[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 18218006 IAGJDOICEJZWKJ-JOCHJYFZSA-N 425.504 2.968 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCO1 19705476 PZMADIXAULLFPM-KRWDZBQOSA-N 439.493 2.641 0 40 IFAB COc1ccccc1CNC(=O)c1ccc(C2CCN(C(=O)C(C)(C)OC)CC2)nc1N 19765895 SQBHNVNVPZKKMR-UHFFFAOYSA-N 440.544 2.733 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC 20016549 BLGHFZATNFBXBY-SFHVURJKSA-N 432.542 2.729 0 40 IFAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(F)cc1 20019407 XCIGLZITYPRTOT-UHFFFAOYSA-N 428.485 2.999 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 20802413 FKYYWPSGGRGHAL-PMACEKPBSA-N 439.468 2.512 0 40 IFAB CCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)CC1 22132122 UMEACWHIEGRKOG-QGZVFWFLSA-N 437.569 2.734 0 40 IFAB CCOC(=O)c1sc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1C 23038991 DVRCNAZIWWDTBB-OAQYLSRUSA-N 445.497 2.648 0 40 IFAB Cn1cc(C(=O)N2CCCC2)c(O)c1-c1nc2cc(NC(=O)[C@H]3CCCO3)ccc2n1C 36370030 PODXBBBNXUYWCY-GOSISDBHSA-N 437.500 2.638 0 40 IFAB biogenic O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 36610973 PCUGRWYXNUQSFH-ZIAGYGMSSA-N 436.877 2.536 0 40 IFAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCN(c4cnccn4)CC3)c2)c1C 48301995 DVIIOQCSAXVVKT-UHFFFAOYSA-N 435.488 2.502 0 40 IFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1 48985103 JOXJVEJFEHVXQR-UHFFFAOYSA-N 426.908 2.822 0 40 IFAB COC(=O)c1nc2n(n1)CCCN2S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 58355111 UJIQHPKCYASMSO-UHFFFAOYSA-N 434.518 2.623 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)O2 64988629 NEVPOKLOAQGSEF-FQEVSTJZSA-N 445.541 2.689 0 40 IFAB CCOC(=O)c1c(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)oc2ccccc12 71846820 QILOXFHHEMHMIW-UHFFFAOYSA-N 426.473 2.662 0 40 IFAB CC(C)(C)OC(=O)CCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72303187 RYKHAVNPYUAOEF-MRXNPFEDSA-N 432.517 2.829 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 89866609 SOYJQOBZMDHCGZ-UHFFFAOYSA-N 447.944 2.815 0 40 IFAB O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc(F)c(F)c1 90584171 AFYIDSSOUIMWDO-UHFFFAOYSA-N 431.468 2.882 0 40 IFAB CCC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3c(C)nc4n3CCCC4)CC2)c1 95465280 HGLCBBYZCMJSBT-UHFFFAOYSA-N 430.574 2.627 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(C(=O)COc2c(C)cccc2C)C3)c(OC)n1 100729194 XRCFRGSBFSPYFV-ROUUACIJSA-N 441.528 2.636 0 40 IFAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222922789 OZESBRFMNDAHHB-HXUWFJFHSA-N 441.547 2.624 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCOCC1 223189204 QKMBKZSWQNZIOL-INIZCTEOSA-N 444.553 2.696 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(OC)c(Cl)cc2OC)cc1F 225118641 ZTKRTVHMDGXWTM-UHFFFAOYSA-N 433.841 2.785 0 40 IFAB CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1OC 225586660 FXFNTRGGRVHSQX-UHFFFAOYSA-N 430.526 2.872 0 40 IFAB Cc1ccc(CN2CCc3nc4n(c(=O)c3C2)CC[C@@]42CCN(C(=O)NC(C)C)C2)s1 306135040 OFTZMOCTBFRYSX-HSZRJFAPSA-N 441.601 2.637 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O 409235546 CDGRBDZBQYLBRR-XNTDXEJSSA-N 430.258 2.989 0 40 IFAB NS(=O)(=O)c1cnc(N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)s1 561394108 IAAVMVGJNXKXKA-UHFFFAOYSA-N 426.873 2.789 0 40 IFAB COc1ccccc1CCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585283418 FFEIWYJHJYCASD-QHCPKHFHSA-N 446.931 2.833 0 40 IFAB CC(C)(C)OC(=O)NCCCCCc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1857793625 HEDNUGMKVBGPTI-SFHVURJKSA-N 429.517 2.685 0 40 IFAB CCCn1ncc(CN2CCCCc3ccccc3OC[C@@H](O)[C@@H](O)[C@@H](OC)C2)c1C 2037971314 IPWVYPQVZSCAHN-YFNKSVMNSA-N 431.577 2.556 0 40 IFAB Cc1ccccc1C(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 1325116 HPAHHRVGTNYWRU-UHFFFAOYSA-N 428.496 2.891 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc12 3312426 KHHSMBRVJNOUCJ-UHFFFAOYSA-N 442.493 2.903 0 40 IFAB Cc1cc(OCC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 3487483 SKWKDLMSOKZWIW-UHFFFAOYSA-N 434.832 2.690 0 40 IFAB CCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5203905 SBEYBASCBZDENP-HOTGVXAUSA-N 425.485 2.590 0 40 IFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 8727081 KCFVXWLQUHEPLS-UHFFFAOYSA-N 445.472 2.608 0 40 IFAB CCOC(=O)c1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc(C(=O)OCC)c1 8825546 CQFCCCHXLAXALH-UHFFFAOYSA-N 433.482 2.837 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCOc1ccccc1)c1c(C)cccc12 8843752 WWLGUTRLXGRADC-QFIPXVFZSA-N 438.509 2.576 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1C 9128599 NPPSJTYVTMYMRZ-CYBMUJFWSA-N 430.482 2.996 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 9191077 CTWMYRUWOPTFLB-SFHVURJKSA-N 449.507 2.954 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)c(C)c1 9263977 LAXISWQSQFDSHH-UHFFFAOYSA-N 431.547 2.504 0 40 IFAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3S[C@H]3CCS(=O)(=O)C3)cc2NC1=O 9496985 FVTIFIZABXLVIS-OCCSQVGLSA-N 432.523 2.938 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 10008526 HDCXFTWYDGQZRD-MRXNPFEDSA-N 432.498 2.521 0 40 IFAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 10021849 JMXIJWWPTBQANJ-JBVUFVISSA-N 435.505 2.820 0 40 IFAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@@H]2CCCCO2)C[C@@H](C)O1 12240765 DVBXNQRJSBKGKW-DMUMMCEESA-N 446.592 2.806 0 40 IFAB Cn1c(CCC(=O)Nc2ccncc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12627503 VHQMIZNFNHFHOD-UHFFFAOYSA-N 427.530 2.714 0 40 IFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)Nc2ccccc2O)CC1 12795366 ZMELIPNNXNVEGI-HNNXBMFYSA-N 425.485 2.841 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccccc3C)CC2)cc1 12919296 GIOQHCYEGXUABR-UHFFFAOYSA-N 432.542 2.696 0 40 IFAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 12939961 ZIUSGPLNJLUBAT-MRXNPFEDSA-N 436.295 2.631 0 40 IFAB Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)cn1 13040082 REKTXKLHYZVVOY-UHFFFAOYSA-N 430.574 2.846 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 13112404 FPLTUCHYWLSBFF-PZJWPPBQSA-N 446.525 2.727 0 40 IFAB COc1ccc(CCN2C[C@@H](C(=O)NC[C@H](c3ccccc3)N(C)C)CC2=O)cc1OC 13130951 NBHBYWWKRXIEAH-LEWJYISDSA-N 439.556 2.514 0 40 IFAB COc1ccccc1-c1nnc2ccc(OCCNC(=O)c3ccc(F)cc3F)nn12 13525907 GUKSYRFIPSLIKT-UHFFFAOYSA-N 425.395 2.887 0 40 IFAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(O)cc2O)cc1 13573694 YZAHDKDVTSFXDB-JOCHJYFZSA-N 433.464 2.545 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1OC 13583020 BGPLVKVWVPFOBL-UHFFFAOYSA-N 432.542 2.769 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 14241977 VECVCZIWHYKHGI-UHFFFAOYSA-N 443.481 2.659 0 40 IFAB COC(=O)CCn1c(C)cc(C(=O)COC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1C 14250669 NJNLWFWOYXVCFC-QGZVFWFLSA-N 436.505 2.793 0 40 IFAB C[C@@H](CNS(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1)OC12CC3CC(CC(C3)C1)C2 15081319 LENCUNYTTMYRJV-WOBADCFVSA-N 432.586 2.942 0 40 IFAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 15609611 KYWKHZUTWDTYBS-UHFFFAOYSA-N 427.526 2.959 0 40 IFAB Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3ccc4c(c3)OCO4)cc(=O)n2o1 15772352 FWDYZWXIWUPOMR-UHFFFAOYSA-N 447.403 2.934 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 18151475 SPPZSWUFKZKRTN-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB Cc1nc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 19744518 VORMEUIWFVFDCE-OAQYLSRUSA-N 447.583 2.719 0 40 IFAB CCCS(=O)(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(C)C1 20464148 GPVGLSNRUAZUIL-JSGCOSHPSA-N 434.440 2.710 0 40 IFAB biogenic,in-vitro COc1cc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1OC(C)C 22362565 NJWXURXBELUBKE-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB COc1ccc(OCCN2CCN(C(=O)c3cc(Cl)c4c(c3)OCCO4)CC2)cc1 23641225 XOWHEJBSENTMNC-UHFFFAOYSA-N 432.904 2.957 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)[C@@H]2CC=CCC2)c1 23730950 OLHIAJKVYDMAAS-GOSISDBHSA-N 434.606 2.764 0 40 IFAB CNC(=O)c1ccc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1 31538152 KUHHHEIBDPDLSL-UHFFFAOYSA-N 433.505 2.921 0 40 IFAB COc1cc2c(cc1OC)CN(CC(=O)NC(=O)Nc1ccc3c(c1)OCCCO3)CC2 32753345 XXCKWOXOZGEEJH-UHFFFAOYSA-N 441.484 2.572 0 40 IFAB COc1ccc(-n2nnnc2C2(N3CCN(C(=O)c4ccco4)CC3)CCCCC2)cc1 35622552 ILSYSVUIIXOLHS-UHFFFAOYSA-N 436.516 2.881 0 40 IFAB C[C@H]1CN(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 36387081 LMHRIBWDLVJGHZ-QWRGUYRKSA-N 443.875 2.583 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)(C)C)cc1N(C)S(=O)(=O)c1ccc(C)cc1 40143005 YVCXONYBWSJJNE-UHFFFAOYSA-N 426.560 2.906 0 40 IFAB Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)Nc3ccccc3N3CCCC3=O)C2)n1 40149583 YKQXGZRXGMZYBQ-SFHVURJKSA-N 435.528 2.806 0 40 IFAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)n1 48236954 RFNRBQQCVIRMBL-GYCJOSAFSA-N 437.544 2.641 0 40 IFAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCCN(Cc2cccs2)CC1 48276796 JNAVAZCIEKWDMZ-FQEVSTJZSA-N 428.537 2.700 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)C1=O 48361823 RZABDNFLVJVIAW-HDICACEKSA-N 428.577 2.891 0 40 IFAB COc1cc(C(=O)N2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc(OC)c1OC 72394205 ROMGRWPVJPGRNJ-AWEZNQCLSA-N 434.514 2.531 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1 95458865 JCUBZQOWAFXNRG-WOJBJXKFSA-N 429.536 2.831 0 40 IFAB Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 95468234 MIRULILNGMTEDB-HIFRSBDPSA-N 425.411 2.608 0 40 IFAB COc1cc2nc(C)n(CCNC(=O)COc3ccc(Cl)cc3)c(=O)c2cc1OC 95474656 NKCPFELUUASBCY-UHFFFAOYSA-N 431.876 2.571 0 40 IFAB CC(C)COC(=O)N1CCCN(C[C@H](C)N2CCCN(C(=O)OCC(C)C)CC2)CC1 95977352 SYNNDJRAAMWDLH-NRFANRHFSA-N 440.629 2.976 0 40 IFAB COc1ccc(OC)c(NC(=O)CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 107653070 OWEGCVNVDMWWRZ-UHFFFAOYSA-N 426.256 2.704 0 40 IFAB CCOc1ccc(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 219243954 PVTBBPSMZJPFAD-UHFFFAOYSA-N 437.537 2.586 0 40 IFAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1 223583209 IDBOJQSJAVWVFG-UHFFFAOYSA-N 433.486 2.973 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN(C)c3ccccc3)s2)c1 224425996 QCLJBYJWIDKPQT-UHFFFAOYSA-N 445.570 2.904 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1ccc(C)cc1 225538978 FTUGATNTEPJQAX-UHFFFAOYSA-N 446.569 2.616 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)Cc1ccccc1Cl 225617696 CYDRQBAFOSAPHV-UHFFFAOYSA-N 440.934 2.530 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 225761923 CCZGYICLHPUUOX-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)C1 248335543 NDERVWNMXLSBFB-XNWMQKSCSA-N 438.572 2.978 0 40 IFAB COc1ncccc1CN1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccc1)C2=O 306130717 JNPHDWDPXPAZBL-ZEQKJWHPSA-N 444.535 2.882 0 40 IFAB CCCN1C(=O)/C(=C/c2cc(I)c(O)c(OCC)c2)NC1=S 409086457 DTIAENUEUYNANR-XFFZJAGNSA-N 432.283 2.863 0 40 IFAB COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 409191109 ZUMLRJMGPGCCEJ-YPAWHYETSA-N 426.472 2.881 0 40 IFAB Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)[nH]c2c1 530652494 LUGPKZMWTGUIOJ-CYFREDJKSA-N 446.511 2.973 0 40 IFAB CN(C)[C@H](CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)c1csc2ccccc12 575622145 WNRQEPPSJOXKMB-QGZVFWFLSA-N 431.539 2.927 0 40 IFAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 583652735 JMSFYYLVOKFYCM-QZNJRLLKSA-N 432.613 2.609 0 40 IFAB biogenic O=C(Cc1ccccn1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12 585110221 YGHMNTKMCVAUNJ-XZOQPEGZSA-N 441.535 2.829 0 40 IFAB CN1CCC[C@@H](CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCOCCO3)C1 643583875 DTQQDKUGSMFQLE-QFIPXVFZSA-N 437.584 2.848 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(OC)c2)n1C 928961 XZNIODDGTJDPML-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB O=S(=O)(c1cccc(-c2n[nH]c(=S)n2Cc2ccc(F)cc2)c1)N1CCOCC1 3220810 VLOXLYIALPJKGX-UHFFFAOYSA-N 434.518 2.816 0 40 IFAB CSc1nn(-c2ccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc2)c(=S)s1 3441667 KOZIEZFIGHRRBR-NSHDSACASA-N 426.545 2.761 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(N)=O)c2ccccc2)cc1 4167073 NJHHCGBOVZVCPX-UHFFFAOYSA-N 439.493 2.628 0 40 IFAB NS(=O)(=O)c1ccc(N[C@H]2SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 6148154 CNCCJBLOTMXAHN-ZDUSSCGKSA-N 431.417 2.991 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 8724950 GLJXLQLEJALZBK-GJZGRUSLSA-N 429.952 2.613 0 40 IFAB Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(C(=O)N(C)c2ccccc21)N(C[C@@H]1CCCO1)C3=O 8917024 MJJXOFCZCPJQMF-MQNRADLISA-N 430.460 2.956 0 40 IFAB biogenic COc1ccc(Cn2c(C)cn3c4c(=O)n(Cc5ccccc5F)c(=O)n(C)c4nc23)cc1 8996089 TWQCBRRPIWGUIQ-UHFFFAOYSA-N 447.470 2.702 0 40 IFAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1N 9060469 HUZZZKVPDXFTIM-DHZHZOJOSA-N 426.480 2.743 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)OCO2 9467179 UHZYEIYIRMIIAO-UHFFFAOYSA-N 436.461 2.796 0 40 IFAB COc1ccc(-c2csc(NC(=O)CSc3nnnn3C[C@@H]3CCCO3)n2)cc1 9478144 XXWWJOUSXBQYOE-AWEZNQCLSA-N 432.531 2.715 0 40 IFAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 9583228 BZPOXRSIGYNNGC-JXMROGBWSA-N 444.553 2.867 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3cccc(OC)c3)cs2)cc1 9828669 GYHCJLHNADZRCK-UHFFFAOYSA-N 447.538 2.820 0 40 IFAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1 11796407 APDVILWPDNDBOW-UHFFFAOYSA-N 445.516 2.844 0 40 IFAB CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 12030626 INZLYCYPAKMTCL-LJQANCHMSA-N 437.539 2.687 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CCC(C)CC3)CC1)NC2=O 12086511 TVJMROGWNJMYBW-HPVWIPFSSA-N 426.561 2.943 0 40 IFAB CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N(C)C)cc1 12746562 XZAQOFWKJFIAHP-QGZVFWFLSA-N 427.929 2.810 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ncccn3)CC2)sc2c1CC[C@H](C)C2 12770720 QFWQBNZGCCNYMC-HNNXBMFYSA-N 443.573 2.600 0 40 IFAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CCCO1 12981731 DHAZPJRAMYHICX-DOMZBBRYSA-N 436.361 2.577 0 40 IFAB COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccccc1OC)N1CCCC1 13011279 PUBJSJGAOAMANJ-HXUWFJFHSA-N 425.529 2.777 0 40 IFAB CCCNC(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13016062 YDLWUHUDZUSLEH-UHFFFAOYSA-N 425.533 2.984 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)cc1 13501704 HIASABGYGAJCMQ-UHFFFAOYSA-N 430.530 2.962 0 40 IFAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(Cl)c1OC 14076277 OZLPAVUQIGWJQJ-UHFFFAOYSA-N 442.896 2.643 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 14291801 LTJJKXUUBYQEMG-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 16098771 LHYHZAPDAKVZIS-UHFFFAOYSA-N 433.939 2.920 0 40 IFAB CCOc1ccc(NC(=O)Cc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 18092466 JGWITFHELURKSZ-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C2CCOCC2)CC3)c1 19234717 BMDZAODADLKPIK-JOCHJYFZSA-N 436.556 2.522 0 40 IFAB COc1ccc(-c2nccnc2[C@H]2CN(C(=O)c3noc(C)c3CN(C)C)CCO2)cc1 19693333 TYPCMQUQGXUVIV-LJQANCHMSA-N 437.500 2.724 0 40 IFAB CN1C[C@H](c2cc(N(C)C)nc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)CC1=O 19697339 VVGRSBGPYRDPDI-HXUWFJFHSA-N 435.572 2.827 0 40 IFAB CN1CCc2nc([C@H]3CCCCN3C(=O)COc3ccc(F)cc3)nc(N(C)C)c2C1 19710412 LSGGWNROUGYZKG-HXUWFJFHSA-N 427.524 2.802 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)CCOc2ccccc2C)nc2c1CN(C(C)=O)CC2 19710874 JWLKLGZWMCTSOF-FQEVSTJZSA-N 437.544 2.864 0 40 IFAB COc1cc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)ccc1OC(C)C 20244442 NEICGHMVRHQPMM-UHFFFAOYSA-N 435.546 2.655 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(C)cc4)no3)C2=O)c1 23126338 YTNZDYOTVRDDIH-MOPGFXCFSA-N 448.439 2.556 0 40 IFAB C[C@]1(CSc2ccccc2C(=O)NCCCn2cnc3ccccc32)NC(=O)NC1=O 24835933 HIVDSQXAWBRYGZ-JOCHJYFZSA-N 437.525 2.547 0 40 IFAB CC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 28429073 BMCAAMLCQWKRLN-CVEARBPZSA-N 430.526 2.898 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCCCCC2)C(C)C)c1 28649887 NOPXDROCMPKAQA-FQEVSTJZSA-N 437.606 2.874 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)c1ccc2c(c1)OCCO2 30345907 CGCKCJBWOPNUJO-JBEBIEQOSA-N 449.463 2.848 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC2(CC1)OCCO2 31179961 LFQNQNSPDMVTBI-UHFFFAOYSA-N 444.553 2.606 0 40 IFAB COc1ccc(OC)c(N2C(SCCOc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640629 TZNGTVVTXIPPPM-PKOBYXMFSA-N 448.566 2.858 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)N2CCCC2)c(C)c1 39976202 ORNWIMSTRAAGHR-SFHVURJKSA-N 435.615 2.987 0 40 IFAB COc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1S(=O)(=O)N(C)C 48249372 VDNRDQNBVXOTEC-UHFFFAOYSA-N 446.573 2.651 0 40 IFAB CCCn1cc(C(=O)NCc2cc(F)cc(F)c2)c(S(=O)(=O)N2CCC(C)CC2)n1 49400650 LJECLYZQGIYWKA-UHFFFAOYSA-N 440.516 2.922 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1cccs1 57416049 KXIKZIFWRAEEPK-FQEVSTJZSA-N 426.542 2.660 0 40 IFAB Cc1ccc(C(=O)NCCNC(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1F 57861417 HOMDANPISDQCKB-UHFFFAOYSA-N 428.508 2.844 0 40 IFAB Cc1cnc(N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccncc4)cc3)CC2)s1 72288487 FNZGNNYDWFJNQV-UHFFFAOYSA-N 443.554 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 72394227 MVQDQBDRSBGTBI-ZDUSSCGKSA-N 444.962 2.715 0 40 IFAB O=c1occ(CN2CCCCCC2)c(O)c1CN1CCN(CCOc2ccccc2)CC1 79490525 ZLOMENISIHEXQT-UHFFFAOYSA-N 441.572 2.918 0 40 IFAB COc1ccc(S(=O)(=O)N2CC[C@@H](OCc3ccccn3)C2)cc1Br 83952962 CCJQCOMPSQQCSD-CQSZACIVSA-N 427.320 2.833 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)c2ccccc2C(=O)c2ccc(CC)s2)CC1 89286796 COHJODFZJVZBKA-UHFFFAOYSA-N 427.570 2.826 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)cc1Cl 100890831 JCWLZOLUOVHOFN-DLBZAZTESA-N 448.266 2.934 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC(c1ccccc1)c1ccccc1 102209058 HZNTZNHRSDJKLU-WOJBJXKFSA-N 434.492 2.611 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136917667 DKARJKOEVWXOJB-IXDOHACOSA-N 448.523 2.871 0 40 IFAB biogenic CCc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 220271541 FBILBQGBJDVSLI-QGZVFWFLSA-N 433.549 2.891 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222739026 ZMFCMUYTAPRYQI-HNNXBMFYSA-N 448.541 2.527 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)c1 222766380 CHISVRKABSBLTB-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)(C)Cc1ccccc1 222966662 JUZNKORDVICHLV-UHFFFAOYSA-N 429.586 2.682 0 40 IFAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224083528 VNKVZJOURYOIEI-SFHVURJKSA-N 435.524 2.659 0 40 IFAB COC[C@H](C)N1C[C@@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 253378271 ZUWITDRFGQCDNE-KNBMTAEXSA-N 437.544 2.552 0 40 IFAB COc1cc(C(=O)N2CCC[C@]2(C(N)=O)c2ccccn2)ccc1OCc1ccccn1 257201785 AJAVTUCTGMHXTN-XMMPIXPASA-N 432.480 2.681 0 40 IFAB Nc1nnc(CC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 257282353 OTKJPJXSIIJDLR-QGZVFWFLSA-N 429.933 2.902 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 257310427 UFAKMUILHBDRAQ-VWLOTQADSA-N 445.523 2.987 0 40 IFAB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)C(F)(F)F)cc21 408537224 ZLPSGLOJULZFPE-UHFFFAOYSA-N 433.434 2.704 0 40 IFAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 408597599 ZNFHQRFJOLGESN-UHFFFAOYSA-N 432.542 2.668 0 40 IFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 408662643 XFVAAQISVVWFKK-HNNXBMFYSA-N 428.416 2.537 0 40 IFAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 409339524 JNWRSDXAOPDJDV-UHFFFAOYSA-N 439.497 2.734 0 40 IFAB Cc1cncnc1N1CCC2(CC[C@H](CNC(=O)c3nnsc3C3CC3)OC2)CC1 585101142 IREFPXGRJCZSBF-MRXNPFEDSA-N 428.562 2.710 0 40 IFAB O=C(N[C@@H](n1cnc2c(N3CCOCC3)ncnc21)C(Cl)(Cl)Cl)c1ccco1 716842 PABJAEBQPNZCMU-HNNXBMFYSA-N 445.694 2.555 0 40 IFAB biogenic COc1ccccc1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 920975 PZCHIYGZVLZLET-UHFFFAOYSA-N 438.571 2.594 0 40 IFAB COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)Nc4cc(C)on4)n3)cc2)cc1 1339595 WKSJGNUFSGDPBL-UHFFFAOYSA-N 433.428 2.536 0 40 IFAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 2291637 ZHBLQLBTDUIMSC-HNNXBMFYSA-N 445.479 2.853 0 40 IFAB Cc1cc(C)n(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)c(=O)c1 2789726 SZMZKRSGBFESJK-UHFFFAOYSA-N 444.340 2.940 0 40 IFAB O=C1Nc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c3cccc1c23 6133213 VQZGXLPNABQRGS-GOSISDBHSA-N 435.461 2.861 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1 6578137 OXAXBZKTULMWID-UHFFFAOYSA-N 441.538 2.979 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 8938963 QCWYMVVHLLFFAX-BEFAXECRSA-N 438.933 2.599 0 40 IFAB O=C(NCCc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9184412 LOYPQKMBMXRXOO-OAHLLOKOSA-N 448.545 2.590 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1 9638919 FYCJMDKIYHRFIU-UHFFFAOYSA-N 441.465 2.720 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)CCc5ccccc5)CC4)ncnc32)cc1 9850340 RTXQPKQDRWCQLQ-UHFFFAOYSA-N 443.511 2.501 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9962228 NVHMMCBKACGUKY-AWEZNQCLSA-N 439.493 2.720 0 40 IFAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)c1 10105080 DKMHANHQQJKZPJ-KRWDZBQOSA-N 443.507 2.876 0 40 IFAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 10271894 VJDVYPKRLGKSNS-UHFFFAOYSA-N 429.908 2.754 0 40 IFAB CC(=O)Nc1ccc(CC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 11358026 VIJBVARSSGPDMT-UHFFFAOYSA-N 427.482 2.898 0 40 IFAB O=C(CN1CCC(c2ccncc2)CC1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 12235941 HFUBNHDWMHLORK-QFIPXVFZSA-N 449.599 2.950 0 40 IFAB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl 12623298 TXONSEISCRLNRH-QLJPJBMISA-N 436.288 2.904 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)CCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 12904558 CFSARQFPGQFYEA-UHFFFAOYSA-N 444.491 2.926 0 40 IFAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1 12942592 KNTYBCUVDXDGSH-UHFFFAOYSA-N 436.541 2.686 0 40 IFAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)c(C)c3cc12 13625254 WRJCHFIBFBEDID-UHFFFAOYSA-N 426.450 2.985 0 40 IFAB C[C@H]1CN(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)C[C@@H](C)O1 14201985 MWGSFESCWRAPKO-BETUJISGSA-N 426.926 2.708 0 40 IFAB Cc1cc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)s1 15432345 MWZJQTKCJKOBAD-UHFFFAOYSA-N 436.555 2.987 0 40 IFAB CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccncn3)cc2)n1 16742627 CEETVLIOODGILG-UHFFFAOYSA-N 436.906 2.695 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 16884535 IYVASHHPLRWOAG-UHFFFAOYSA-N 437.521 2.978 0 40 IFAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 17178641 TVHNVTZEYWXZGG-SFHVURJKSA-N 437.418 2.713 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(N2CCN(CCO)CC2)n1 19134574 CKPSSRBRSUNCBF-UHFFFAOYSA-N 431.540 2.742 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O 19699573 JENONYYAWHAZIX-IBGZPJMESA-N 446.592 2.517 0 40 IFAB COc1cc2c(cc1CN1CC[C@H](c3cc(C(=O)Nc4nccs4)[nH]n3)C1)OCCO2 19707704 ANDXOMPIERORMG-ZDUSSCGKSA-N 441.513 2.888 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 22037407 LAGGBRBITMPUMC-SFTDATJTSA-N 446.595 2.950 0 40 IFAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 22111040 QKUDXGWOUKLNGJ-UHFFFAOYSA-N 449.920 2.886 0 40 IFAB Cc1ccc(OCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 22331837 WZVWRRWQBDIDPP-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 22961926 WBMCDQRDTOUATK-QHCPKHFHSA-N 441.597 2.544 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC[C@@H](C)C3)CC2)cc1C 23077377 CSHLRSTTYWUISJ-MRXNPFEDSA-N 436.574 2.506 0 40 IFAB Cc1ccc(Cn2nc3n(CC(C)C)c(=O)c4ccc(C(=O)NC(C)C)cc4n3c2=O)cc1 23126042 XSAXRZSGURPYPZ-UHFFFAOYSA-N 447.539 2.962 0 40 IFAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccccc3)nc2C)sc(C(=O)NC)c1C 26889998 CKAGPQUIBGZLEC-UHFFFAOYSA-N 427.486 2.734 0 40 IFAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c1 28208051 CYTDMDNDYJIBGX-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1=O 28719491 XTNGUBWEJLHNCJ-CYBMUJFWSA-N 447.417 2.816 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1CCNC(=O)[C@@H]1c1c(C)nn(-c2ccccc2)c1C 28721353 YQFKUEXLFDWSOB-DEOSSOPVSA-N 447.539 2.918 0 40 IFAB CC(C)c1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 32615743 PQAGXRBGTWYGKN-UHFFFAOYSA-N 429.480 2.715 0 40 IFAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 32741917 DCHAVDVZIPNMDC-UHFFFAOYSA-N 425.514 2.787 0 40 IFAB CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 32937587 KWVFOQWBKUBQKO-UHFFFAOYSA-N 440.909 2.667 0 40 IFAB COc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1Cl 32946722 HMPPQWRKXSUNHU-UHFFFAOYSA-N 440.934 2.614 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCC1=CCCCC1 34886210 JOGIKIAECHGSFI-UHFFFAOYSA-N 432.011 2.715 0 40 IFAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4CCN(CC(=O)N(C)C)CC4)sc32)cc1 35344075 VMFDSGWHWAHFDN-UHFFFAOYSA-N 439.585 2.609 0 40 IFAB Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)c4ccccc4)CC3)s2)no1 35597078 KEUUQPIYRGGGLG-UHFFFAOYSA-N 444.542 2.528 0 40 IFAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[nH]c(=O)c21 40400029 DDIICPUAQRBGFT-CYBMUJFWSA-N 449.467 2.985 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 44884016 BCHCCDFUPWQNKF-UHFFFAOYSA-N 439.921 2.730 0 40 IFAB COc1ccc(CCNC(=O)Cn2nc3c4ccccc4nc(C(C)C)n3c2=O)cc1OC 57730991 RYUAXFPPNHEGJM-UHFFFAOYSA-N 449.511 2.544 0 40 IFAB CCOc1ccccc1N1CCN(CC(=O)NCCc2ccc(OC)c(OC)c2)CC1 57851795 FYHQHIXJINJANC-UHFFFAOYSA-N 427.545 2.583 0 40 IFAB C[C@H]1CN(c2cc(C(=O)NCc3ccccc3CN3C[C@H](C)O[C@H](C)C3)ccn2)CCO1 72305404 BVKOKGVENBAURK-SLFFLAALSA-N 438.572 2.846 0 40 IFAB CSc1ccccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 89496615 GDCWSDBBVPUCCY-UHFFFAOYSA-N 434.539 2.989 0 40 IFAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1nc(-c2ccccc2)cs1 96223801 VQNVILQWUIEURL-SFHVURJKSA-N 434.521 2.980 0 40 IFAB COCCN(C(=O)Nc1ccccc1N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 97032908 ZJBNZWWBIWTUCP-IBGZPJMESA-N 431.558 2.990 0 40 IFAB CCOc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 219970831 JUAGFTFTRJNRKO-UHFFFAOYSA-N 446.569 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222691067 HKGBMSODIDWJMR-OAHLLOKOSA-N 446.525 2.742 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1Cl 223685305 WKZIMLOWMIVSRT-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COc1cc(F)ccc1-c1cnc(N(C)C)nc1[C@H]1CCCN(C(=O)Cn2cccn2)C1 257211791 CAKPRPZHMPACIL-INIZCTEOSA-N 438.507 2.960 0 40 IFAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CN2CCCCCC2=O)C1 257276615 NUMIIGNFWUONOG-QFIPXVFZSA-N 435.952 2.606 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)on1)C2=O 408656545 FIQOPFBHENTJEE-UHFFFAOYSA-N 435.392 2.588 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c(OC)c1 408666019 RZIPMUWTXRINDI-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408670299 XBANLHVZYRBZRO-CQSZACIVSA-N 429.860 2.833 0 40 IFAB COc1cccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)c1 585107167 QIXZJTUXRDSTOM-VWLOTQADSA-N 445.523 2.531 0 40 IFAB O=S(=O)(c1ccc2ncsc2c1)N1CC2(C[C@H](NCc3cccnc3)CS2)C1 2056225434 WNHIRQGQIMCYRP-HNNXBMFYSA-N 432.596 2.730 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 656273 AGVAGPVJJWSUGG-GOSISDBHSA-N 432.542 2.803 0 40 IFAB COc1ccccc1CNC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2654252 VZEJEOVDBMOPOO-UHFFFAOYSA-N 429.476 2.807 0 40 IFAB Cc1ncc(CO)c2cc(C(=O)Nc3ccc(I)cc3)c(=N)oc12 2955304 UERKTNLRIXQCTQ-UHFFFAOYSA-N 435.221 2.965 0 40 IFAB CN(C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccco1 6198472 FALAMANAZPQPCX-UHFFFAOYSA-N 442.541 2.678 0 40 IFAB CCCOc1ccc(S(=O)(=O)N2C(=O)CC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 6500827 LZWCSAKMUDMCQE-UHFFFAOYSA-N 446.481 2.554 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 8710552 UVEQIYDFHNJMMV-UHFFFAOYSA-N 444.557 2.861 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 8724951 GLJXLQLEJALZBK-HUUCEWRRSA-N 429.952 2.613 0 40 IFAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 8937039 OFKMYEXWYVBVCT-JOCHJYFZSA-N 429.423 2.640 0 40 IFAB COc1ccc(OCc2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)cc1 9302817 CCKNZKNVZCLFFZ-UHFFFAOYSA-N 432.531 2.862 0 40 IFAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 9305030 YIEBUGNMTXCWNO-ZDUSSCGKSA-N 439.497 2.735 0 40 IFAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O 9516378 ASPIBPJAXXYSRT-HSZRJFAPSA-N 429.484 2.653 0 40 IFAB Cc1ccc([C@@H](C)NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C 9777686 GZEUNQXNDAIZKY-QGZVFWFLSA-N 449.598 2.689 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 9953501 RBZZDKLIUZPCFZ-HNNXBMFYSA-N 432.498 2.558 0 40 IFAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1C 10271875 ZOTGXEKCAFJLAH-UHFFFAOYSA-N 448.571 2.858 0 40 IFAB COc1ccc(F)cc1C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C 10391584 NJSIJCYTOAMDAV-UHFFFAOYSA-N 446.504 2.577 0 40 IFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 11117335 BKOABFQJEODAFF-UHFFFAOYSA-N 444.539 2.980 0 40 IFAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 12804257 KMLOJVWLPJZZSU-NSHDSACASA-N 444.854 2.852 0 40 IFAB CCc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 12995269 YEKRUCZOFNPQMQ-UHFFFAOYSA-N 443.525 2.970 0 40 IFAB CC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 13084937 NRGDMHWSJYPMCP-QFIPXVFZSA-N 425.504 2.602 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CN2CCN(c3ccccc3)CC2)C1=O 13098102 YOGFWVPITFSQLP-OAQYLSRUSA-N 443.345 2.996 0 40 IFAB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 13113496 BLKPYLDLODDUOJ-CYBMUJFWSA-N 447.542 2.796 0 40 IFAB Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 14136514 XEOHPTDSCXXQGY-UHFFFAOYSA-N 441.509 2.601 0 40 IFAB COc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2)cc1 14172344 IUCGITZAASMIPQ-FQEVSTJZSA-N 446.525 2.590 0 40 IFAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 16063445 JFTRDTFBZGZGKT-OAHLLOKOSA-N 438.908 2.563 0 40 IFAB O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349296 UVRHVPOOGKQLCB-JOCHJYFZSA-N 447.514 2.769 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)Cc4ccccc4F)CC3)c(=O)c2c1C 19561380 OHHJINKPLJFGOY-UHFFFAOYSA-N 429.517 2.810 0 40 IFAB Nc1ncc(-c2ccc([C@@H]3CN(C(=O)CCN4CCCc5ccccc54)CCO3)nc2)cn1 19692498 KVZCSDAIDJPNSG-QHCPKHFHSA-N 444.539 2.864 0 40 IFAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCO1 19697902 MPCGFLVFCWANQA-QGZVFWFLSA-N 439.537 2.952 0 40 IFAB Cc1nc(CN(C)C(=O)c2n[nH]c3c2CCC3)nc2c1CCC(=O)N2Cc1ccccc1 19698595 SBPCAEFEMAZMKH-UHFFFAOYSA-N 430.512 2.748 0 40 IFAB COCCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738858 OXSPAADNQQRHRH-FQEVSTJZSA-N 436.556 2.968 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2cnccn2)nc2c1CC(=O)N2CCc1ccccc1F 19739961 PTWUWNCESSIDKJ-HXUWFJFHSA-N 446.486 2.823 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1 19749342 KONWLWGPPXSNLL-UHFFFAOYSA-N 433.512 2.950 0 40 IFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 22393206 FLPWYUXCOAISAK-UHFFFAOYSA-N 439.537 2.936 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998313 NGOBXXKLYIJJAT-SFHVURJKSA-N 443.500 2.941 0 40 IFAB COCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c1=O 23126696 LMUDBGOZGDVOIX-UHFFFAOYSA-N 426.860 2.951 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1 23652481 DOVCROPECRISGW-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1 24873690 NFLJOWOAJQRPOZ-NRFANRHFSA-N 432.542 2.987 0 40 IFAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NC[C@@H]5CCCO5)cnc4c3cc2CO1 32074528 GKBVDDIHZIJTGV-FPTDNZKUSA-N 442.541 2.543 0 40 IFAB C[C@@H]1CCc2c(sc3ncn(CC(=O)NC[C@@H]4COc5ccccc5O4)c(=O)c23)C1 32736383 WXYDNHADYYXZDK-ZIAGYGMSSA-N 425.510 2.539 0 40 IFAB Cc1csc(CC(=O)N2CCN(CC(=O)N[C@H](C)c3cc4ccccc4o3)CC2)n1 35269295 DMZIJKQKRYYVHK-MRXNPFEDSA-N 426.542 2.762 0 40 IFAB O=C(Cc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1)Nc1cccc(C(F)(F)F)c1 36364792 KRAMCEKLTHEXTE-UHFFFAOYSA-N 448.357 2.928 0 40 IFAB CC(C)[C@@H](NC(=O)CN1CCN(c2nccs2)CC1)c1ccc2c(c1)OCCCO2 36390032 UCZGPXKTXMGHSH-OAQYLSRUSA-N 430.574 2.940 0 40 IFAB O=C(CN1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl 36437862 IKOYGGWUCWBHAE-UHFFFAOYSA-N 429.904 2.784 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F 36569685 ALCVYUZHQVXZOY-AEFFLSMTSA-N 436.509 2.509 0 40 IFAB CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1OC)C(=O)OC 36597207 IMHMHQBFJNVXRB-IRWQIABSSA-N 430.505 2.672 0 40 IFAB biogenic CC(=O)Nc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38857758 LEOCVVZLJGGKCH-GOSISDBHSA-N 437.905 2.854 0 40 IFAB Cn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc2n(C)c1=O 40043037 VBQSNAADKPRDDB-QGZVFWFLSA-N 438.534 2.543 0 40 IFAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 40153908 VEIYSLDZPGRYFJ-CQSZACIVSA-N 425.407 2.641 0 40 IFAB C[C@H]1CCc2nc(NC(=O)c3nn([C@@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2C1 40988236 ISZCLNQQYLQFFO-QWHCGFSZSA-N 434.587 2.955 0 40 IFAB COCc1cc(=O)[nH]c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc12 49031149 NLNWQVUWSSKSFH-UHFFFAOYSA-N 441.509 2.711 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(S[C@@H](C)C(=O)Nc2cccnc2)n1C 72191634 YJYDFILDPRXEJC-ZDUSSCGKSA-N 426.502 2.519 0 40 IFAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 79501758 RBVPVZZZEUGEIZ-UHFFFAOYSA-N 437.470 2.776 0 40 IFAB CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 95469684 GFWWQCCDGSGJFO-LLVKDONJSA-N 437.260 2.515 0 40 IFAB COc1ccc2cc([C@H]3SCC(=O)Nc4c3c(O)nn4C3CCOCC3)c(=O)[nH]c2c1 96117320 JKKRMNKUSONUQS-GOSISDBHSA-N 442.497 2.565 0 40 IFAB CO[C@](C)(CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1F 96123645 QONUUTDSAQXSFR-XMMPIXPASA-N 439.487 2.668 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1 101352870 KJLGEKYFJFYNQY-MOPGFXCFSA-N 441.875 2.979 0 40 IFAB CCO[C@H](C)c1noc(CN2CCCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 107145848 HGCNSMNQQXXFPJ-RTBURBONSA-N 429.565 2.722 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)C(=O)Nc1cc(F)ccc1F 108990374 LAZIENUAHAUXGN-UONOGXRCSA-N 430.455 2.988 0 40 IFAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OC 205707751 TWIVGSWDIQRRQS-CXUHLZMHSA-N 437.470 2.625 0 40 IFAB COc1ccccc1CCCNC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220109974 VEHRCLBAWTYHDN-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225302631 ASPHAWINONRRTE-UHFFFAOYSA-N 436.537 2.958 0 40 IFAB COc1ccccc1-c1cc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)[nH]n1 225728602 WWWNLOYIFTVPIE-UHFFFAOYSA-N 432.406 2.857 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257292347 QLBPOQSDKBOXLY-QGZVFWFLSA-N 445.476 2.525 0 40 IFAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 409148752 RFYPTGWUPFWICV-CXUHLZMHSA-N 440.905 2.642 0 40 IFAB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1 409152680 GAIGLJWFYBWCQO-UHFFFAOYSA-N 439.541 2.896 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1OC 409409926 KAZJBTHBAAOMAD-RMKNXTFCSA-N 440.496 2.799 0 40 IFAB CNC(=O)C12CCCCN(C(=O)C(C)C)CCOc3ccccc3C(=O)N(CC1)CC2 643574154 FVCNEKDMIVUFLQ-UHFFFAOYSA-N 429.561 2.702 0 40 IFAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCc3nn(C)c4ccccc34)cc2)C[C@@H](C)O1 680568051 SWZHJWZLEHSNQD-IAGOWNOFSA-N 435.528 2.822 0 40 IFAB CC(C)NC(=O)N1CCC2(CC1)[C@@H](C(=O)N1CCC1)c1ccccc1C(=O)N2C(C)C 1549174407 DUQAEBZTRNLFGD-HXUWFJFHSA-N 426.561 2.819 0 40 IFAB Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)n2)o1 1364590 RZNBALDJGDDAGW-AWEZNQCLSA-N 431.470 2.978 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 3007645 CCVJCIIRQYBRPJ-UHFFFAOYSA-N 433.464 2.872 0 40 IFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1 3419874 MMEITTNONYWUFF-MRXNPFEDSA-N 430.526 2.850 0 40 IFAB COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c3nc12 9297153 VWRTUQRRDQSJHD-LBPRGKRZSA-N 443.891 2.567 0 40 IFAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc2N1 9464311 LIWJYODYWYGRAM-UHFFFAOYSA-N 435.505 2.955 0 40 IFAB CCOc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4OC)CC3)CC2=O)cc1 9519967 NYKVJMIVGQGUAS-SFHVURJKSA-N 438.528 2.731 0 40 IFAB C[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn23)c1)c1ccccc1 9549705 SKMFLUCOWGHIRW-INIZCTEOSA-N 435.509 2.699 0 40 IFAB O=C(CSc1nnc(Cc2ccccc2)o1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9579173 MZAXUTKEXWOWEA-KRWDZBQOSA-N 435.571 2.711 0 40 IFAB COCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 9593896 UWVHMCFILZXESM-RBUKOAKNSA-N 439.541 2.866 0 40 IFAB CN1C(=O)[C@]2(OCc3ccccc3N2C(=O)CSc2nnc(N)s2)c2ccccc21 10157792 LEXSMXLYFLMXAM-HXUWFJFHSA-N 439.522 2.605 0 40 IFAB COC(=O)Cn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2ccccc2c1=O 10771795 LZSDYNWOIZJGEC-IBGZPJMESA-N 441.484 2.821 0 40 IFAB CCOc1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10970074 PPXPONIDZMRBSZ-UHFFFAOYSA-N 444.495 2.504 0 40 IFAB C[C@H](C(=O)N1CCc2ccccc2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12085977 GYXQSEYLYMNZTD-NSYGIPOTSA-N 432.524 2.524 0 40 IFAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCC(=O)Nc1ccc(F)c(F)c1F 12748614 IEJADDNGOKBTTH-UHFFFAOYSA-N 434.823 2.676 0 40 IFAB Cc1ccc(CNC(=O)NCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 12793927 ONDJWFZMOGNYOZ-UHFFFAOYSA-N 447.333 2.620 0 40 IFAB CN(CC(=O)NC[C@H](c1ccco1)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 12853736 AZQBTAHTULTXBH-GOSISDBHSA-N 439.965 2.897 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 12886704 HBSIGFMAIRSOTN-RJKQYODTSA-N 449.532 2.921 0 40 IFAB biogenic C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 12983456 UPIJMJLBEDGDDN-HIGJEIRPSA-N 434.558 2.567 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 12985441 YGYNRCWHDJXQOE-FQEVSTJZSA-N 428.554 2.894 0 40 IFAB Cc1ccc(-c2nn(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c(=S)[nH]2)cc1 13063573 UITBRCZDXONZDY-UHFFFAOYSA-N 429.571 2.880 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)N2CCOCC2)nc2ccccc21 13082898 MNGBEKZMBSYQSX-CALCHBBNSA-N 430.574 2.777 0 40 IFAB Cc1cccc(NC(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)c1 15019728 CDTNZOLPQFMXMO-UHFFFAOYSA-N 445.570 2.821 0 40 IFAB CCOc1ccc(OCCC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 15480133 SSZUJTVKZDXEIB-UHFFFAOYSA-N 429.492 2.776 0 40 IFAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(C)cc3)no2)cc1 15674529 VHFSMVFMQHWSJD-XLIONFOSSA-N 443.525 2.668 0 40 IFAB biogenic,in-vitro Cc1ccc(OCc2nc(CC(=O)OCC(=O)Nc3sccc3C(N)=O)cs2)cc1 16167268 KZLDHPGGPLWCAZ-UHFFFAOYSA-N 445.522 2.915 0 40 IFAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(C(=O)O)cc2)C1=O)Nc1ccccc1 16754411 UJIRFBBQGACVJY-GDNBJRDFSA-N 425.422 2.541 0 40 IFAB Cc1c(C(=O)OCC(=O)Nc2cccc3nsnc23)sc2nc3n(c(=O)c12)CCC3 19077659 LZHYWTMSPROHCB-UHFFFAOYSA-N 441.494 2.513 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCCC[C@@H]2c2ccnc3cc(C)nn23)cc1 19130581 OSWODLFZJOIUMM-LJQANCHMSA-N 441.557 2.632 0 40 IFAB CC1CCN(c2nc([C@H](C)NC(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)cc(=O)[nH]2)CC1 19497012 RQXSZBJPPQJGGQ-AWEZNQCLSA-N 439.516 2.607 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CC(=O)N2CCCc1ccccc1 19743749 YJRHXOHDLFLCCM-HXUWFJFHSA-N 435.572 2.575 0 40 IFAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)C[C@H]3CCCCN3C)CC2)n1 19757118 OVQZSJCOEFBVJR-HXUWFJFHSA-N 427.593 2.677 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)C2)ncc1C(N)=O 19763742 WPQSVSQZVMCDQC-CYBMUJFWSA-N 446.433 2.659 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 20565959 QKWYHISIVFQWLP-ZFCANOHDSA-N 434.334 2.626 0 40 IFAB C[C@H](NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)c1ccccc1 22249233 PBWIXOTXDFLOQQ-HNNXBMFYSA-N 438.933 2.617 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O 22335857 HAQDKBGVFFNZOT-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 23425305 MFALPZZQKHZBLO-UHFFFAOYSA-N 436.434 2.578 0 40 IFAB COc1ccc(CN(C)C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1F 24845016 QYVHIRQYDIWDOL-UHFFFAOYSA-N 434.269 2.909 0 40 IFAB CCOc1ccc(NCC(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 29936896 HWINXNJFXGEGIE-UHFFFAOYSA-N 449.548 2.780 0 40 IFAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 32797563 ILPIWXSZMOZFBI-LBPRGKRZSA-N 432.483 2.523 0 40 IFAB COc1ccc([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c(OC)c1 32856022 BCLYVHXLZLDPAR-KRWDZBQOSA-N 439.555 2.852 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C(C)(C)S[C@H]21 36569599 WKJPWCYMCSOQII-FXAWDEMLSA-N 438.509 2.989 0 40 IFAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3cc(-c4ccco4)on3)c2n1 36655486 BFUGLKAXUXNAJO-UHFFFAOYSA-N 439.501 2.826 0 40 IFAB CCOC(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2C)c2cc(Br)ccc21 39556734 SZJVKVAHZLSDDJ-CHHVJCJISA-N 436.331 2.997 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1ccccc1 40477156 BKVJRGPNCCWVEZ-UHFFFAOYSA-N 428.374 2.694 0 40 IFAB Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O 44848692 SBHKGLRWFBHANK-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 44939494 LMNOTLYYZJHCQP-UHFFFAOYSA-N 428.514 2.879 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl 44939941 NDHNNUJXRPFUCM-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1cccc(Cl)c1 49404381 ILAJWCMZICAKRH-UHFFFAOYSA-N 428.905 2.939 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ccsc2c1=O 57425697 YXDNMTMZZSOMQH-UHFFFAOYSA-N 435.527 2.852 0 40 IFAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2c(C)noc2n1 70038991 STTJNVSBJFCBDV-UHFFFAOYSA-N 428.514 2.944 0 40 IFAB O=C(NCCn1nc([C@@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)c2cccnc21)C1CC1 72344704 LRFBNPRTESFICY-RTBURBONSA-N 439.560 2.623 0 40 IFAB O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[C@@H](O)c1ccc(Cl)cc1 84392966 WIQONHNUKBCYRP-OAHLLOKOSA-N 437.677 2.548 0 40 IFAB C[C@@H](O)C[C@@H]1CCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 89895228 VJQLMTWIDHYBCW-WBVHZDCISA-N 438.571 2.714 0 40 IFAB O=C(CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1)NCC1(c2ccccc2)CC1 95381824 MZNXVQUUWOEYGV-UHFFFAOYSA-N 437.975 2.953 0 40 IFAB COC(=O)c1nc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)sc1Cc1ccccc1 95478062 KTNVAAFTMPMRMA-GOSISDBHSA-N 434.481 2.735 0 40 IFAB COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4ccco4)CC3)O2)c1 96036626 DOXKLGJKKQPDHB-NRFANRHFSA-N 436.512 2.691 0 40 IFAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124260 NONGONKXPVXWPQ-UHFFFAOYSA-N 438.542 2.513 0 40 IFAB COc1ccc2cnn(CC(=O)NCc3nc4ccccc4n3CC(C)C)c(=O)c2c1OC 96230792 HQEXZIVATPGYES-UHFFFAOYSA-N 449.511 2.736 0 40 IFAB COC(=O)C1=NN(c2ccccc2OC)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101155493 ANGORLZBWOWZGT-WMZOPIPTSA-N 427.844 2.564 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O 113968578 PNHJDJAWNFUVPF-FQEVSTJZSA-N 448.564 2.761 0 40 IFAB CN(Cc1nc(-c2cccs2)no1)C(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220098709 QQAIRJZKEYIQNA-UHFFFAOYSA-N 442.469 2.501 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)s2)cc1 223158453 BYZMDBBDNYOOBO-MRXNPFEDSA-N 432.527 2.785 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)s2)cc1 223316460 WEVSCFADAUOPRX-UHFFFAOYSA-N 428.495 2.687 0 40 IFAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cccc(C(=O)OC)c3)n2)cc1 223613894 VATNTAFSJZMFDZ-UHFFFAOYSA-N 431.470 2.743 0 40 IFAB COc1ccccc1OCCNC(=O)CCCN(c1ccc(F)cc1F)S(C)(=O)=O 224812179 GESLJDWCPULRLS-UHFFFAOYSA-N 442.484 2.715 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 224861389 YBXQNMUHRVRJQK-UHFFFAOYSA-N 447.582 2.904 0 40 IFAB COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(OC)cc1 224866767 CTAASACSXKVXKX-UHFFFAOYSA-N 432.267 2.965 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cccc(OC)c3)CC2)cc1 225498836 QALIOMINGPMHAJ-UHFFFAOYSA-N 446.569 2.854 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)CC2=O)cc1 225732010 AUXYNSYKTVGYEP-MRXNPFEDSA-N 447.461 2.814 0 40 IFAB O=C(CCc1nc2ccccc2[nH]1)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 245060654 PTIOYDCKERONLR-UHFFFAOYSA-N 434.485 2.682 0 40 IFAB COCCN1CC[C@]2(CN(Cc3ccc(OC)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306124957 CDFQHECLKIXGQL-XUZZJYLKSA-N 426.561 2.937 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NC[C@@H]1CCCO1 408637106 XSYLACGAESOFKG-FQEVSTJZSA-N 446.569 2.532 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408661973 PBEVCHMTCKXSHL-RJYYBVGHSA-N 432.904 2.877 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408708674 KNEBKASHAYDGKC-UHFFFAOYSA-N 431.448 2.600 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cc1 409256213 KHHYTSMXELATDL-UHFFFAOYSA-N 440.949 2.978 0 40 IFAB CCCCn1c(=O)nc(O)c2c1nc(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)n2C 539335169 XMNMPSRCMURJFF-AEFFLSMTSA-N 425.533 2.893 0 40 IFAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1 575422077 LXLJJWNVODMNTP-HXUWFJFHSA-N 438.615 2.750 0 40 IFAB COc1ccc(C(=O)NC[C@H](O)COc2ccc(I)cc2)c(F)c1 608985693 ANWFNJLSTYUPAT-LBPRGKRZSA-N 445.228 2.609 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(Cc1cnn(C)c1)CC2 1549167324 NWHPFNFPVRCCMG-JOCHJYFZSA-N 435.572 2.635 0 40 IFAB Cc1nc2c(c(N3C[C@@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)n1)CCC2 1888876457 QZGINFCALKPZRS-HUUCEWRRSA-N 428.334 2.640 0 40 IFAB CC(C)NC(=O)[C@@H](C)N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 2086867498 SRNDEOJZQGRTGD-CYBMUJFWSA-N 434.890 2.828 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 810784 QAMPBVTUAVXOBP-UHFFFAOYSA-N 431.297 2.805 0 40 IFAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(-n4cnnn4)c(OC)c3)c(=O)oc2c1 1342116 JHOLBELJFICXLX-UHFFFAOYSA-N 434.456 2.876 0 40 IFAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8666631 RVPUHOAERBTDAT-UHFFFAOYSA-N 447.516 2.828 0 40 IFAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8825561 ITBUGXRUMRIHCQ-GOSISDBHSA-N 431.539 2.913 0 40 IFAB COc1ccccc1CNC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 9351232 BWPVCEIAPSQVFD-UHFFFAOYSA-N 442.537 2.883 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O 9413143 UHTSLHQDLSVROY-LFVRLGFBSA-N 441.459 2.631 0 40 IFAB COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C 9519169 OMAIWERKURDDHW-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB CC(C)CCN(C(=O)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9594032 ODUYRXRBLOVKQU-UHFFFAOYSA-N 438.503 2.928 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(O)c1 9665817 ZXSRTBWMMJICMH-UHFFFAOYSA-N 432.498 2.671 0 40 IFAB CCS(=O)(=O)n1nc(NCc2ccc(OC)cc2)nc1NCc1ccc(OC)cc1 9847037 SMVWXTXLVYNCER-UHFFFAOYSA-N 431.518 2.717 0 40 IFAB O=C(NCCCN1CCCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 10109535 SDRCOQBOWUDJOL-UHFFFAOYSA-N 429.586 2.843 0 40 IFAB Cc1cccc(Cl)c1CNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12085578 YLRNPKBMRJOMMV-QHCPKHFHSA-N 440.931 2.829 0 40 IFAB CCn1cc([C@H]2C[C@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130206 SMHRLSXBOUUXKU-HUUCEWRRSA-N 446.360 2.737 0 40 IFAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 12180490 JMYPCESCRPRZDZ-UHFFFAOYSA-N 428.507 2.737 0 40 IFAB CCCOc1cc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc(C)n1 12223711 AHLUZLPLFVYXLN-UHFFFAOYSA-N 430.505 2.562 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCn3ccnc3)c2)cc1 12535656 QHGQACVSYZHPCS-UHFFFAOYSA-N 428.514 2.821 0 40 IFAB COC(=O)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1 12777103 MIFUVYKBWHLCEO-PXNSSMCTSA-N 448.516 2.647 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 12905859 BBOBZFULWGMNMB-OAQYLSRUSA-N 441.553 2.813 0 40 IFAB CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 12918918 ZMDWPQHSXJNPAQ-UHFFFAOYSA-N 448.416 2.995 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 13002513 QUSFOQFLWOTENE-INIZCTEOSA-N 429.904 2.794 0 40 IFAB O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NCCN1CCCC1 13879964 LXZFEUSUTNFDIF-UHFFFAOYSA-N 448.611 2.912 0 40 IFAB COc1ccc(C(=O)OCc2nc(-c3ccsc3)no2)cc1S(=O)(=O)N1CCCC1 14246872 YBCKYMBQUZXMHT-UHFFFAOYSA-N 449.510 2.948 0 40 IFAB Cc1c(NC(=O)COC(=O)Cc2coc3cc(O)ccc23)c(=O)n(-c2ccccc2)n1C 16050992 GJJHDPZEFOLVDZ-UHFFFAOYSA-N 435.436 2.661 0 40 IFAB C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 16890851 GXMXZFHDALWQHQ-INIZCTEOSA-N 425.460 2.706 0 40 IFAB O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337640 JXEUFPGFDDECSO-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19529000 RMWUFJZPBDEYAW-RUZDIDTESA-N 448.498 2.787 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 19689391 MZFPWJWDZMBZIH-IBGZPJMESA-N 429.952 2.859 0 40 IFAB CNc1cc(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)ccn1 19692703 NLAHYXOORSLGJF-IBGZPJMESA-N 436.491 2.999 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)cc1 19694924 FDDMBNXJNCWWMB-QGZVFWFLSA-N 436.516 2.858 0 40 IFAB COc1ccc(-c2nc(C3CCN(C(=O)COc4ccccc4)CC3)[nH]c2C(N)=O)cc1 19697012 OZESRXJEQBMXMR-UHFFFAOYSA-N 434.496 2.969 0 40 IFAB O=C(NCc1ccccc1N1CCCC1)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19748020 KBAHYVYRSRPJLS-SFHVURJKSA-N 431.533 2.753 0 40 IFAB CN(C(=O)CSc1ncnc2c1cnn2C)c1ccccc1C(=O)NCc1ccco1 21754814 FZGZQYMCOUAULV-UHFFFAOYSA-N 436.497 2.641 0 40 IFAB COc1ccc(OC)c(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 22227446 MWGFDEBKAGLNAF-UHFFFAOYSA-N 446.569 2.780 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 22789740 LAGGBRBITMPUMC-OYRHEFFESA-N 446.595 2.950 0 40 IFAB NC(=O)[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 23575725 WALDPVJXLMACPX-MAUKXSAKSA-N 436.917 2.511 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 26541451 QAHSGGRMMBBVQP-UHFFFAOYSA-N 445.566 2.771 0 40 IFAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ccccc2s1 36621969 AAXMAJUSICEZFK-SFHVURJKSA-N 428.539 2.676 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 37210481 GKCWUCOXOGNSJQ-IBGZPJMESA-N 438.977 2.785 0 40 IFAB O=C(NCCCC(=O)N1CCC[C@@H](C(=O)Nc2nncs2)C1)c1ccc(Cl)cc1 40151024 WLZGCOXLOTZHAH-CQSZACIVSA-N 435.937 2.579 0 40 IFAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)COc4cccc(F)c4)nc3s2)cc1 41077102 PXULGMMRVRBLFS-UHFFFAOYSA-N 440.456 2.661 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 57478464 YUUAGGQOQJJZFL-HSZRJFAPSA-N 449.555 2.637 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)NCc1ccco1 57486431 MHEPAVJUFCFVGA-UHFFFAOYSA-N 429.885 2.836 0 40 IFAB Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)s1 58308110 DRGVAVDQJDJKQB-KBPBESRZSA-N 438.575 2.913 0 40 IFAB O=C(COc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1 67896737 PSRKDRVJDRHSFG-RCZVLFRGSA-N 447.491 2.560 0 40 IFAB biogenic,in-vitro CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@H]2CCCO2)CC1 69291755 DGLDEDDVDFSSPW-VQIMIIECSA-N 440.009 2.515 0 40 IFAB Cc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 71328344 MAEJKBRFDQCXND-UHFFFAOYSA-N 433.424 2.739 0 40 IFAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 71806098 WIZMORSIKNOPEN-UHFFFAOYSA-N 441.387 2.670 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 72308950 WOBLDZPDWMAGSR-UHFFFAOYSA-N 448.520 2.644 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)c4ccccn4)C3)nn2c(C)c1CCC(=O)NC(C)C 72369616 PNVNUBUUEUKZOU-SFHVURJKSA-N 434.544 2.828 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(Nc3ncccn3)n2)cc1C 72376360 VQLMBWPVUSVYKY-KRWDZBQOSA-N 426.502 2.853 0 40 IFAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3coc(NC(=O)C4CC4)n3)cc2)c1C 77099826 OMVSURLIUWPYLI-UHFFFAOYSA-N 445.457 2.681 0 40 IFAB CC1CCC(NS(=O)(=O)CC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 84689380 FGCDSYXHGFGBEJ-RRWXTXHCSA-N 426.554 2.831 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C 95451726 DMVBZYDHGNNFDB-CYBMUJFWSA-N 430.324 2.560 0 40 IFAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCc4noc(-c5ccccc5)n4)c3)cc21 95945781 CNKOYCCABJBYML-UHFFFAOYSA-N 426.436 2.909 0 40 IFAB CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc21 96183077 ISQZZIWOSSFXPI-UHFFFAOYSA-N 427.570 2.837 0 40 IFAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cc(-c4cccnc4)n[nH]3)ccc2NC1=O 96221560 XGGRWEMOMMWJJT-INIZCTEOSA-N 436.497 2.528 0 40 IFAB biogenic Cc1ccc(CN(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)S(C)(=O)=O)cc1 223585987 ATWRSFPSEDEYBU-UHFFFAOYSA-N 429.542 2.831 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1OC 225972797 MEDHLWIZGPCKSP-UHFFFAOYSA-N 426.922 2.726 0 40 IFAB O=C(CCN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257201742 AIWJHHUIAVKWMN-DGWZTRNLSA-N 443.632 2.552 0 40 IFAB O=C(N1CCOC[C@@H](Cc2ccc3nccn3n2)C1)C1(c2cccc(F)c2)CCOCC1 257250735 JNVMSJJJVPRTTF-SFHVURJKSA-N 438.503 2.634 0 40 IFAB NC(=O)c1cnn2c([C@@H]3CCCN(C(=O)c4ccnc(Cc5ccccc5)c4)C3)ccnc12 257320776 VYOYOERSHUTHAC-LJQANCHMSA-N 440.507 2.834 0 40 IFAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)CO2 257334209 YFANVUMXXUDAPB-XMMPIXPASA-N 431.496 2.696 0 40 IFAB O=C(Nc1ccc(OC2CSC2)cc1)[C@@]12C[C@H]1CN(Cc1ccccc1)S2(=O)=O 260830842 IKUDWQTTXMQQFJ-HRAATJIYSA-N 430.551 2.724 0 40 IFAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCc3ccc(F)cc3F)c3ccccn23)C1 306141653 WCZAXEUDOCHSJK-HNNXBMFYSA-N 448.495 2.682 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cccc(OC)c1OC 409073752 SXJALRGMKIHHPI-ATVHPVEESA-N 442.493 2.860 0 40 IFAB C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 502611851 DYWYXMAACVLKQW-KGLIPLIRSA-N 445.928 2.629 0 40 IFAB Cc1nc(C)c(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)s1 585102201 PAGSOSKJXZNMNJ-NQIIRXRSSA-N 437.512 2.714 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC(c2cncc(Nc3ncccc3C)n2)CC1 585176631 LIIHGMMDPBKMFE-UHFFFAOYSA-N 439.541 3.501 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@@]2(COC(C)=O)CC(=O)N2CCCC2)cc1OC 643587062 RQDMKWLWVBNAPB-DEOSSOPVSA-N 446.544 2.573 0 40 IFAB Cc1cc(C)n(-c2cc(OCC3CCN(c4c(C)c(C)nc5ncnn45)CC3)ncn2)n1 1775970853 SRSOIUHSNFYPDK-UHFFFAOYSA-N 433.520 2.629 0 40 IFAB Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1 1857794672 JOSFQWNOUSNZBP-RDOJZNBBSA-N 444.601 2.631 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)CC1 1891290611 BSIMMYIKSYKHCE-UHFFFAOYSA-N 442.585 2.885 0 40 IFAB O=C(CCc1ccc[nH]1)N1CCO[C@]2(C1)C(=O)N(Cc1cccnc1)C[C@H]2c1ccccc1 2055731773 UPAIEHQPBFBBET-OZXSUGGESA-N 444.535 2.766 0 40 IFAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 2291112 BQOJXHMOVAWEJV-CQSZACIVSA-N 431.452 2.793 0 40 IFAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCCCN1CCCCCC1 2975216 APPDSXRWOGZYTF-UHFFFAOYSA-N 446.573 2.950 0 40 IFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(I)cc1 3265287 QDCVMWAYUXRITF-UHFFFAOYSA-N 448.216 2.928 0 40 IFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O 3320809 QODHINQOORTELR-GTNSWQLSSA-N 441.269 2.730 0 40 IFAB C[C@@H]1CN(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)C[C@@H](C)O1 3446181 OMUXUCYRLSPZDL-CHWSQXEVSA-N 430.555 2.567 0 40 IFAB O=C(COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)NCC(F)(F)F 6154246 IXBNSSSTDWKDGU-ZHACJKMWSA-N 442.415 2.935 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1 8705122 HKXVMUDTGLWCOB-UHFFFAOYSA-N 445.570 2.865 0 40 IFAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 8718994 VFVOQBFMZGEQHD-CQSZACIVSA-N 428.493 2.757 0 40 IFAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)NC(N2CCN(c3ccccc3)CC2)=N1 8758135 WSRHESOBUIUKTK-KRWDZBQOSA-N 446.338 2.999 0 40 IFAB COc1ccc(CCNC(=O)C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1OC 9435773 FLUHMYWHNOOLEA-UHFFFAOYSA-N 432.498 2.640 0 40 IFAB O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)Nc1ccc2c(c1)OCO2 9518589 JDNRAVUNEJWLDT-UHFFFAOYSA-N 430.417 2.598 0 40 IFAB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)O)C1=O 9906217 CRFRPVPZGCWPGK-WUXMJOGZSA-N 444.259 2.512 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)NC1c2ccccc2-c2ccccc21 11497620 BOMZRKQJZNDEQM-UHFFFAOYSA-N 425.444 2.864 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]([C@@H](NC(C)=O)c3nccs3)C2)cc(OC)c1OC 12157876 FKXYTPGULVBQGC-KBXCAEBGSA-N 433.530 2.899 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 12789780 UCHAAJKSOJEUKU-ZFWWWQNUSA-N 438.933 2.843 0 40 IFAB CC(C)(C)c1csc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 12876794 ICIKTEZWSGOSCM-UHFFFAOYSA-N 429.589 2.704 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 12882419 UEHDPZJXRLFTPG-INIZCTEOSA-N 434.514 2.551 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1nc(-c2ccccc2)no1 12886192 BJABNORDBNPOCB-UHFFFAOYSA-N 447.495 2.971 0 40 IFAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OC 13145855 ZUYGXNDIIQHFBX-UHFFFAOYSA-N 446.569 2.786 0 40 IFAB O=C(OCCOc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15153075 ANTLDDZKINLMOW-UHFFFAOYSA-N 443.880 2.736 0 40 IFAB COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(OC)cc3OC)S2)cc1 15512923 YZUIVHAFTIBMGX-YPKZHZFPSA-N 442.497 2.663 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)CC3CCCC3)[nH]c(=O)c2C1 19239469 BPNKGCHADBWTAJ-NRFANRHFSA-N 449.555 2.916 0 40 IFAB O=C1CCC[C@]2(CN(C(=O)CN3Cc4ccccc4C3=O)C[C@H]2c2ccc(F)c(F)c2)N1 19375559 MKUQUZPEBWXMLR-MHECFPHRSA-N 439.462 2.586 0 40 IFAB COCCn1nnnc1[C@H](c1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 19594086 VDIRIHCOUWVBSF-NRFANRHFSA-N 426.952 2.880 0 40 IFAB O=C(NCC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CCO1)c1nc2ccc(F)cc2[nH]1 19712099 MGVNDMNZFJCWLN-WBVHZDCISA-N 431.489 2.843 0 40 IFAB CCN(CC)S(=O)(=O)N1CCCC[C@@H]1c1nc(C)ncc1C(=O)NC1CCCCC1 19767011 GRMFJVAYSVFGBM-LJQANCHMSA-N 437.610 2.961 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1 20023258 QVYUHQOHPCEDFT-UHFFFAOYSA-N 434.848 2.560 0 40 IFAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncnc(NCCN3CCOCC3)c12 20624280 MBYGFJFZHKTHAS-UHFFFAOYSA-N 431.338 2.939 0 40 IFAB CCOc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 22390396 VWYCWRCWADOFHC-UHFFFAOYSA-N 445.541 2.726 0 40 IFAB O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@@H](O)CN1CCOCC1 24989912 KGTXAUYYVPVBJA-KRWDZBQOSA-N 444.329 2.519 0 40 IFAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC[C@@H](CC(C)C)N1CCOCC1 26062105 LHUFJDIHYNXEIZ-GOSISDBHSA-N 439.622 2.549 0 40 IFAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H](C)C(=O)N2CCOCC2)c1 28673576 AJWDSTSSOWZZTB-KRWDZBQOSA-N 435.480 2.952 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)OCCO2 31288968 OGLLCPCMBQTPBU-FUHWJXTLSA-N 430.526 2.736 0 40 IFAB COc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c2C(F)(F)F)nn1 32909268 UZUXWTSYSSMWLA-HNNXBMFYSA-N 434.422 2.722 0 40 IFAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 32983448 BNUWJKMRXXAUNL-KRWDZBQOSA-N 440.525 2.822 0 40 IFAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(OCC)c(Br)c2)n1 33599534 RMVFJENOPNBOOK-UHFFFAOYSA-N 427.328 2.761 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1OC 35590036 LWFFDSPFRXMVSS-CSKARUKUSA-N 429.454 2.809 0 40 IFAB CCOc1ccccc1Oc1coc2cc(OCC(=O)N[C@H](C)C(=O)O)ccc2c1=O 36569595 AZOKUFCNSDLVIF-CYBMUJFWSA-N 427.409 2.952 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 36628801 NBQILLSWQBGJQS-YCRPNKLZSA-N 447.557 2.950 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(OC)cc1 41157924 FOMOXFIJVFWWSG-RTWAWAEBSA-N 426.513 2.740 0 40 IFAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)c(C)c1 64817627 KGJSPICORBJFBG-UHFFFAOYSA-N 445.523 2.992 0 40 IFAB CC(=O)c1c(C)nn(CC(=O)N[C@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)c1C 72327810 LTOBMBOSIRGUMM-YADARESESA-N 438.528 2.724 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@@H](C)c3ccco3)CC1)O2 72328020 AWCARCYGRPGVNU-OBWXTZQISA-N 439.512 2.727 0 40 IFAB Cc1nc2c(c(=O)[nH]1)CC[C@@H]1CN(C(=O)c3cnn4c(C(F)F)cc(C5CC5)nc34)C[C@H]21 72336092 RPYFVJIPJHBSPJ-DOMZBBRYSA-N 440.454 2.738 0 40 IFAB O=C(CN1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1)NCC1CCCCC1 78716828 LIZWTQGALSTBDR-UHFFFAOYSA-N 427.998 2.779 0 40 IFAB CC[C@](C)(CNC(=O)COCCc1ccccc1)NC(=O)COCCc1ccccc1 79056112 UAJJURPTKBALJR-RUZDIDTESA-N 426.557 2.906 0 40 IFAB CCn1c(=O)n(CC(=O)N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)c2ccccc21 79111524 WGEXWPDEFJDDLD-KRWDZBQOSA-N 438.528 2.943 0 40 IFAB COC[C@](C)(CC(=O)OC)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 84636874 YLZIEGBLWZZVER-QHCPKHFHSA-N 427.501 2.982 0 40 IFAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)C[C@@H](C)O1 89930223 KMJKZDCFYYZHCX-KZNAEPCWSA-N 443.510 2.770 0 40 IFAB CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccco1)CC2 96036913 BJORZFXCMHJEOU-UHFFFAOYSA-N 426.542 2.910 0 40 IFAB COc1ccccc1[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@@H]2c2snnc2C3)[C@@H](C)C1=O 100214827 JROZTJHXSVBCKJ-GARXJVFOSA-N 426.542 2.582 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(C)C 106711517 JRBROJARPYYNST-WQRHYEAKSA-N 434.514 2.625 0 40 IFAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1OCC(=O)O 106757729 UCTWWKXHHVRFFD-WJDWOHSUSA-N 448.497 2.598 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 169299828 FNDRMHMJFIHCSU-DBYOASNMSA-N 438.455 2.800 0 40 IFAB CC(=O)Nc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 222655056 TVCONVHJBZGOHV-UHFFFAOYSA-N 431.499 2.858 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccc(C)cc4O3)s2)cc1 223902634 XBFFRLXUMGTDFW-KRWDZBQOSA-N 444.538 2.988 0 40 IFAB COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1N1C(=O)CCC1=O 224517001 KWWZDJGXNQRTFZ-UHFFFAOYSA-N 448.566 2.869 0 40 IFAB COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224883412 SUKAGGAAUCNJOC-UHFFFAOYSA-N 432.267 2.965 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)c1 225782203 PLJOGJKVSIJNEU-UHFFFAOYSA-N 432.249 2.803 0 40 IFAB NC(=O)C[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CC[C@@H]1Oc1cccc(Cl)c1 257260256 LCALDIFATKIKBW-WFASDCNBSA-N 444.841 2.727 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cnn(C(C)C)c4)C[C@@H]2C3)cc1 306139901 UDPWPLOCSALNGT-ROUUACIJSA-N 435.532 2.621 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(F)cc1 408786853 WQRPIORIZCVXNO-YWFITGJYSA-N 438.480 2.643 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)ccc1OCC(=O)O 409201316 LLTUACRDMCDEIL-OMJMQIJPSA-N 448.497 2.596 0 40 IFAB CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(F)c(F)c1)CC2 2055714572 IOGSFYQHFZSDOD-UHFFFAOYSA-N 440.498 2.915 0 40 IFAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 2656884 JPBVBPYIVKVWAA-QFIPXVFZSA-N 441.509 2.819 0 40 IFAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O 3427696 KDWRNWLWKSCUQA-UHFFFAOYSA-N 444.491 2.765 0 40 IFAB COC(=O)c1cc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc(C(=O)OC)c1 9120507 HPFAPOKMFZXDPC-UHFFFAOYSA-N 438.436 2.856 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 9390566 ORZBVWBWKJFQPR-UHFFFAOYSA-N 443.525 2.730 0 40 IFAB COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC 9409819 YEVDZTRHNHFZKQ-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9510288 BSHLBNSEIRJDKK-UHFFFAOYSA-N 437.924 2.607 0 40 IFAB COc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C 9518786 SCALLXTYXRANRR-HNNXBMFYSA-N 449.486 2.881 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccccc1 9591221 HRDPIVUBJLTKPP-ZDUSSCGKSA-N 435.263 2.913 0 40 IFAB CCOc1cc(C(=O)CCC(=O)O)ccc1OS(=O)(=O)c1ccccc1C(=O)OC 9595007 BAYOYUFVIUPHOJ-UHFFFAOYSA-N 436.438 2.687 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 9620644 WGUFMPUEOAOPBL-HSZRJFAPSA-N 441.597 2.885 0 40 IFAB Cc1cc(Br)ccc1SCC(=O)OCC(=O)NC(=O)c1cccn1C 9722852 COXIWFCCIHUUPS-UHFFFAOYSA-N 425.304 2.688 0 40 IFAB O=C(c1c(F)cccc1Cl)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 9824126 SZFBZLCTPKRSKE-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 9973437 DBQPXVPSVOXLFS-DHZHZOJOSA-N 429.425 2.938 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc4ccccc4oc3=O)CC2)cc1 10565646 UUJLYIKLFRYXNQ-UHFFFAOYSA-N 426.494 2.685 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@]3(CN(C(C)=O)Cc4ccccc4O3)C2)cc1 12087148 JLNGFAAYMRZSMF-HSZRJFAPSA-N 442.537 2.854 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 12543768 IOLTUNCHWCPUTH-FQEVSTJZSA-N 435.977 2.992 0 40 IFAB COc1nc(C)c(CC(=O)N2CCC[C@H]([C@@H]3CC(=O)c4cc(F)ccc4O3)C2)c(OC)n1 12736102 NJICHUJSFVFPCX-XOBRGWDASA-N 443.475 2.756 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](NC(=O)C3CCCCC3)C(C)C)CC2)cc1 12908438 GEJYUYNPSSJSKX-OAQYLSRUSA-N 449.617 2.549 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCSc2ccccc21 12977138 IHTYPBTXJYSDDY-SFHVURJKSA-N 448.566 2.683 0 40 IFAB NC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2c1CCC2 12985680 QDEOLZNDDOGUSV-OAHLLOKOSA-N 427.526 2.883 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 13038557 FSNRHUZPQMPURM-QGZVFWFLSA-N 426.542 2.607 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cn3sc4ccccc4c3=O)CC2)c(C)c1 13062791 SNNOSZJHCBPLLY-UHFFFAOYSA-N 431.583 2.952 0 40 IFAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13149530 CNYKGDQHPRTHAH-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 13533204 BSBPBSTZROGAEO-UHFFFAOYSA-N 437.905 2.562 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)C1 13533344 QNFNFTMTYSRXEG-GASCZTMLSA-N 429.517 2.917 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1 13623689 PCUUOKUGPLLYRE-KRWDZBQOSA-N 433.505 2.501 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 13677997 HSJFRNVKYRKVBG-INIZCTEOSA-N 446.525 2.911 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1ccccc1)S(C)(=O)=O 13711143 AUDUHKWCEOPOOS-LJQANCHMSA-N 431.558 2.589 0 40 IFAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 13818122 VUAUPNDDYVHTJP-UHFFFAOYSA-N 442.475 2.885 0 40 IFAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C[C@H](C(=O)NC)Oc2ccccc21 15546656 MWDVEBOGMCNPMT-QGZVFWFLSA-N 443.525 2.754 0 40 IFAB CCCCCCS(=O)(=O)CCOC[C@H](CS(=O)(=O)CCCCCC)OC(C)=O 16638347 LGRAJBZLDRHPSX-LJQANCHMSA-N 442.640 2.925 0 40 IFAB COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)nc2O)cc1 16954612 NZNGZNDGYDHRNS-UHFFFAOYSA-N 449.485 2.894 0 40 IFAB Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)N1S(=O)(=O)c1cccc(F)c1 19286258 RLMYOHIUOQRSMB-TXPKVOOTSA-N 432.521 2.966 0 40 IFAB O=C(Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21)NCCN1CCCC1=O 19332281 IPIRXYVUZHOWCR-UHFFFAOYSA-N 442.878 2.798 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1C(=O)N2CCN=C2c2cnn(-c3ccc(Cl)cc3)c21 19496294 IQRJYZOVUPNTLU-CQSZACIVSA-N 426.908 2.929 0 40 IFAB CNC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 19703570 BNUNOHZGSBCYNB-HSZRJFAPSA-N 437.475 2.902 0 40 IFAB CNc1nc([C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)nc2c1CN(C)CC2 19710533 FHDGWEZPGXGRRG-IBGZPJMESA-N 443.617 2.648 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)ncc1C(=O)Nc1ccccc1 19766110 LDFFAWSBSRXRPZ-LJQANCHMSA-N 444.539 2.880 0 40 IFAB COCCn1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(c2ccccc2F)CC1 20098589 PYQDTXOYALHMQM-QHCPKHFHSA-N 447.518 2.918 0 40 IFAB CCCNc1nnc(SCC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)s1 22024814 FGTIWDMRPFHRJB-UHFFFAOYSA-N 439.582 2.944 0 40 IFAB CC(C)(C)NC(=O)COc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 22107992 UYZGSJBOIMVUTH-UHFFFAOYSA-N 440.573 2.838 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22333789 NLWKPPOQWKQPOX-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 22381180 IYSPDXXWIDCLSA-UHFFFAOYSA-N 448.511 2.653 0 40 IFAB COC(=O)C[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(OC)c(OC)c1 24485855 WZTMVRKVVROEAS-MRXNPFEDSA-N 442.468 2.813 0 40 IFAB COC(=O)c1ccc(OCC(=O)Nc2ccccc2S(C)(=O)=O)c(Br)c1 25456811 BSIFCUHUANOPPZ-UHFFFAOYSA-N 442.287 2.657 0 40 IFAB FC(F)(F)c1cc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Cl 28047809 NDQVVROHQZCWLP-UHFFFAOYSA-N 444.845 2.961 0 40 IFAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(OC)c1 30713625 LPDHMLHLBNBTRV-BOPFTXTBSA-N 426.494 2.847 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)cc1 32096528 UYMKWUWQHLEDQR-ZDUSSCGKSA-N 435.402 2.822 0 40 IFAB CC(C)CN1C[C@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1=O 32809357 DPTHHTYPWQZNFK-OAHLLOKOSA-N 426.344 2.782 0 40 IFAB COc1ccccc1N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1 32843790 IAWIACCGFICMBH-IBGZPJMESA-N 430.574 2.662 0 40 IFAB COc1ccc(CNC(=O)c2snc(C(=O)NCc3cccc(OC)c3)c2N)cc1 33171922 DTNQOYOSDWEYKE-UHFFFAOYSA-N 426.498 2.603 0 40 IFAB O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 35092953 DDDPLLOHRYKKSO-HDMKZQKVSA-N 426.322 2.658 0 40 IFAB CCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)CC1 35565464 BVNRHQCKONDMMR-UHFFFAOYSA-N 428.518 2.503 0 40 IFAB Cc1ccc(-n2ncc3c(NCCO)nc(N4CCN(c5ccccc5F)CC4)nc32)cc1 36656917 NJCRPUJJTGZXCI-UHFFFAOYSA-N 447.518 2.994 0 40 IFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCS(=O)(=O)Cc1ccccc1 48374509 CRVMOPGTTQQIBU-UHFFFAOYSA-N 444.601 2.873 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 57270854 PALJBXMSOJGLGP-MRXNPFEDSA-N 449.548 2.941 0 40 IFAB Cc1cc(C)n(CC(=O)NCc2ccccc2F)c(=O)c1S(=O)(=O)c1ccccc1 67319646 WJSHRKANVKNIHW-UHFFFAOYSA-N 428.485 2.753 0 40 IFAB CNc1cc([C@H]2CCCN(C(=O)c3c(C(C)C)noc3C)C2)nc(CN(C)C(C)=O)n1 72370125 SHYIKWRCTQUDFH-INIZCTEOSA-N 428.537 2.936 0 40 IFAB COc1cccc([C@@H]2C[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)c1 72389495 DYOWFKLOOHYUFQ-HEKNWVKJSA-N 447.601 2.607 0 40 IFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N1C[C@H](C)Oc2cc(C)c(Br)cc21 79047474 XQRCRYQBVYXMCG-JTQLQIEISA-N 444.307 2.634 0 40 IFAB CCN1CC[C@]2(CN(CCOC)CC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)C1=O 96262794 NWAJOMFSJGLGDJ-VWLOTQADSA-N 427.589 2.726 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104104114 DKARJKOEVWXOJB-IKGGRYGDSA-N 448.523 2.871 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 104728494 YBMQRHVEEHPWMK-ZIAGYGMSSA-N 430.455 2.988 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220085683 DWNHPMIRHVSBSA-UHFFFAOYSA-N 425.457 2.508 0 40 IFAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1N(C)S(C)(=O)=O 222477627 LFPXAJXVHKMVBP-QGZVFWFLSA-N 445.541 2.552 0 40 IFAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)c(C)c1 225565855 DXTPLYURLWONKZ-HXUWFJFHSA-N 432.542 2.906 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 225579514 SUOKLDUIMKGUOS-UHFFFAOYSA-N 438.477 2.806 0 40 IFAB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 238838306 HGBFHJMDDJWPHI-AWEZNQCLSA-N 428.388 2.704 0 40 IFAB CCc1noc(C)c1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257217449 CYZIKZNXWFTGKC-TZBSWOFLSA-N 441.572 2.849 0 40 IFAB CC(C)(C)OC(=O)N1CCC([C@](O)(Cn2cc(C(=O)O)ccc2=O)c2nccs2)CC1 257229811 FZODXIYLJZFTPJ-OAQYLSRUSA-N 449.529 2.538 0 40 IFAB CCCn1c(=O)oc2cc(NC(=O)CN3C[C@H]4CC[C@H](Cc5cnccn5)[C@H]4C3)ccc21 257232504 GLCWTTKCCXBHKM-MBOZVWFJSA-N 435.528 2.934 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260841088 JGUQBKMQXQLHAM-KBPBESRZSA-N 442.484 2.712 0 40 IFAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)N2NC=NC2=N1 409378071 NDTFRKRMBDASJO-INIZCTEOSA-N 431.374 2.899 0 40 IFAB CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 514288717 XRMIZZRHKYXRCA-WBVHZDCISA-N 426.416 2.612 0 40 IFAB biogenic,in-vitro COc1ccc2c(c1)CC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C2 680058804 NANRNEIBUXYTFY-HKUYNNGSSA-N 434.583 2.974 0 40 IFAB C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1CCc1c[nH]c2ccccc12 1692769229 QUMVVROXDPNILR-GFCCVEGCSA-N 444.483 2.611 0 40 IFAB CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@@H]1c1ccccc1 1848352672 IIEJYHIFBDRRBO-JOCHJYFZSA-N 435.524 2.733 0 40 IFAB Cn1c(N2C[C@@H]3CN(C(=O)c4cncc(Br)c4)C[C@H]3C2)nc2ccccc21 1888901165 GSPZETZKTZDUHS-GJZGRUSLSA-N 426.318 2.939 0 40 IFAB COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(O)n2)cc1 2693091 UUKRZSIIDZSUPT-UHFFFAOYSA-N 431.495 2.754 0 40 IFAB CCn1cc(NC(=O)[C@H](C)n2cc(Br)c(C)n2)c(C(=O)NCc2ccco2)n1 2792545 GAUIQFXCLUOFJJ-LBPRGKRZSA-N 449.309 2.893 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 3374846 LAGZYYIXLMIOAP-LJQANCHMSA-N 426.494 2.817 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3393550 DPZBLFMFIVIRJQ-HTAPYJJXSA-N 444.484 2.907 0 40 IFAB CCN(C(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3)[C@@H]1CCS(=O)(=O)C1 3502799 JLHZYHRJSXRUHR-QWHCGFSZSA-N 439.628 2.944 0 40 IFAB COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc(OC)c1OC 6181178 WTDUYFHEWXUGGC-RQZCQDPDSA-N 443.481 2.574 0 40 IFAB CC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6821188 AYZARKPTKVNCBT-CYBMUJFWSA-N 435.525 2.551 0 40 IFAB CCn1nc(C(=O)OCC(=O)Nc2ccccc2Br)c2ccccc2c1=O 8807073 CSHTZUITSKCSTO-UHFFFAOYSA-N 430.258 2.974 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2ccc(C(=O)OC)cc2)ccc1C 9314006 RCGDPRWITVZGQN-UHFFFAOYSA-N 433.530 2.863 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2c(C)nc(S)nc2C)cc1 9349128 HRPDURJRNZQKJN-UHFFFAOYSA-N 436.603 2.662 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 9408247 DBIBABURPDLQRO-RBUKOAKNSA-N 445.566 2.717 0 40 IFAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2o1 9467874 IOFJBYFCNBHFPH-UHFFFAOYSA-N 445.478 2.723 0 40 IFAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 9491348 YXAKOZSHMGNSRE-UHFFFAOYSA-N 428.558 2.754 0 40 IFAB COc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NCC(C)C)nnc23)c1 9495115 AUSWENTVIORBID-UHFFFAOYSA-N 437.525 2.906 0 40 IFAB O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 9513089 YJOPOKOSNBVEGP-UHFFFAOYSA-N 449.598 2.689 0 40 IFAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)[C@H](C)Oc2ccccc2)c1=O 12072148 VSYKUDGNCQUXGT-SFHVURJKSA-N 431.496 2.533 0 40 IFAB Cc1ccc(C)c(OCCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 12626962 LXZUMGDTWPQZAM-UHFFFAOYSA-N 446.569 2.551 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 12891041 ODIVOGBZXBNPLY-QRFHQATISA-N 446.503 2.839 0 40 IFAB biogenic COc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1OCC(=O)N1CCOCC1 13134847 NGCQGWWRCAJMPI-UHFFFAOYSA-N 436.508 2.862 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1OC 13566758 RVMMYFZKGUUNDJ-UHFFFAOYSA-N 427.482 2.830 0 40 IFAB COc1ccc2c(c1)cc(C(=O)NCC(=O)N1CCN(c3cccc(Cl)c3)CC1)n2C 13736014 UHMVUNKKRRBGGM-UHFFFAOYSA-N 440.931 2.919 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)nc1-c1ccccc1 13790068 FVWAOEXBZGMAPI-CQSZACIVSA-N 437.543 2.597 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)C1 16237792 GZZUSPOSMBLEJU-INIZCTEOSA-N 441.619 2.997 0 40 IFAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 16469986 PQKXDHKOYFGGLK-UHFFFAOYSA-N 430.404 2.736 0 40 IFAB CC(C)(C)C1=NN(CC(=O)NCC(=O)N2CCCCC2)C(=O)c2cc3ccccc3n2C1 19082257 MKPZWBFPVJSGAL-UHFFFAOYSA-N 437.544 2.628 0 40 IFAB O=C(CN1CCC(c2n[nH]c(-c3ccncc3)n2)CC1)Nc1ccccc1N1CCOCC1 19350001 OCRFWZYCWHXKQS-UHFFFAOYSA-N 447.543 2.521 0 40 IFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2c(C)nn(C(C)C)c2n1 19634598 WEGDZLHRYMPYFG-UHFFFAOYSA-N 441.557 2.776 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)c2cc(C)ccc2F)CCO1 19703238 AUWKQBJXHKBOJI-OAHLLOKOSA-N 449.529 2.866 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2cccc(OC)c2)nc2c1CCN(C(C)=O)C2 19708473 QWWBWFKTETXDBL-NRFANRHFSA-N 437.544 2.728 0 40 IFAB CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2cn3cccnc3n2)C1 19739215 LFHWBBIGLLWNSK-HSZRJFAPSA-N 436.516 2.586 0 40 IFAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2C)ncc1C(=O)Nc1ccccc1 19755290 NBLJMWWURAPUSP-SFHVURJKSA-N 440.529 2.605 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 21352131 YZZQXKJABIRDOV-INIZCTEOSA-N 429.542 2.583 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F 21377594 UNUJFLUKUPQCCB-UHFFFAOYSA-N 442.440 2.642 0 40 IFAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F 22245672 DXLSJDBGBCCGNF-HXUWFJFHSA-N 428.489 2.754 0 40 IFAB COc1ccccc1CCCNC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22401146 JNBSQXMLSXMGBG-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1 22913455 MWQSAHSHCNUDCA-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB COc1ccccc1Nc1ncccc1C(=O)NCc1ccc(CS(N)(=O)=O)cc1 24610350 ZPLWBUKUQDSFGT-UHFFFAOYSA-N 426.498 2.552 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 24876298 JPKIKFWUVKPGMJ-NRFANRHFSA-N 429.860 2.869 0 40 IFAB O=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 28468966 JCWNGDBTIDDCNN-UHFFFAOYSA-N 449.598 2.941 0 40 IFAB COc1ccc(N2C[C@H](C(=O)NCCC(=O)Nc3nc4ccccc4s3)CC2=O)cc1 32097071 KURBVMYYYSCJDQ-CQSZACIVSA-N 438.509 2.803 0 40 IFAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(OC)ccc2OC)cc1 32639736 FNYCABQCKZBDCV-IEBWSBKVSA-N 448.566 2.987 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 32863079 QRBVRAVZAFHIIF-QGZVFWFLSA-N 445.541 2.543 0 40 IFAB C[C@@H]1Cc2cc(-c3cc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)no3)ccc2O1 35589951 QLWFWRXCSBRHQB-CQSZACIVSA-N 441.509 2.845 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)[C@H]1Cc2ccccc2CN1 35807636 SAPRKDGLPXUFSO-DNQXCXABSA-N 430.552 2.969 0 40 IFAB biogenic COc1ccc(CN2CCCN(C(=O)CCNC(=O)Nc3ccc(OC)cc3)CC2)cc1 40039606 QYCWOXJFNMUBNK-UHFFFAOYSA-N 440.544 2.950 0 40 IFAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)c1 51317042 OHSUFPRQPMFERG-UHFFFAOYSA-N 431.452 2.585 0 40 IFAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCN1C(=O)C1CCCCC1 69978859 SKNCBPVZPZSPBP-QFIPXVFZSA-N 430.568 2.635 0 40 IFAB COc1cc(/C=C/C(=O)NCc2c(C)nc3c(c2C)c(=O)[nH]n3C)ccc1OC(F)F 72285347 RZASQNOOGCIQSZ-SOFGYWHQSA-N 432.427 2.818 0 40 IFAB CN(CC(=O)N1CCN(c2ncccn2)CC1)c1nc2c(C(F)(F)F)cccc2s1 77196827 JCDLLZWUCBSDLC-UHFFFAOYSA-N 436.463 2.890 0 40 IFAB CS(=O)(=O)[C@@H]1CSCCN1C(=O)Cn1c(COc2ccccc2)nc2ccccc21 78878716 JPQSSBDYZVIIIZ-OAQYLSRUSA-N 445.566 2.561 0 40 IFAB CC(C)c1nnc(NC(=O)CCC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)s1 89893810 NONRDAPKLXZNEF-UHFFFAOYSA-N 443.529 2.922 0 40 IFAB O=S(=O)(NCCNc1ccc(-n2cccc2)nn1)c1ccc(OC(F)(F)F)cc1 90607791 QZKCRUWWYODMHQ-UHFFFAOYSA-N 427.408 2.556 0 40 IFAB O=C(NCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1)c1ccc(Br)s1 95457367 AAJHHWXLJHUPGT-OLZOCXBDSA-N 427.295 2.714 0 40 IFAB C[C@@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 95482551 CMPNVSPWUSWUOX-KRWDZBQOSA-N 431.558 2.953 0 40 IFAB CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)C(=O)c1ccco1 96018688 PEXFPMHZWBALDY-LFIBNONCSA-N 447.900 2.858 0 40 IFAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 101489925 XJBDZSPQTFKDCT-CALCHBBNSA-N 447.532 2.665 0 40 IFAB C[C@H](C(=O)Nc1ccccc1-c1cn2ccccc2n1)n1nc(-n2cccn2)ccc1=O 206900237 BADAEKIVYHXNIZ-MRXNPFEDSA-N 425.452 2.943 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccc(C)cc2)no1)N(c1ccccc1)S(C)(=O)=O 219089033 CHLIOCKWCZYAPX-GOSISDBHSA-N 428.514 2.906 0 40 IFAB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 222722113 RIDKEOYNCATQED-MRXNPFEDSA-N 430.526 2.874 0 40 IFAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1OC 223058444 HSTGDKRLKSXJHD-OAHLLOKOSA-N 448.541 2.709 0 40 IFAB CC[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(OC)c1 224403318 SPJNAMPJKKEUBT-GOSISDBHSA-N 438.521 2.872 0 40 IFAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 224436800 TYTHBMAVERFJBF-CQSZACIVSA-N 436.530 2.890 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2)cc1 408636159 MCFYDUPCDWFYFK-FQEVSTJZSA-N 432.542 2.571 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c(OC)c1 408659704 MRPWAGHTAIEECC-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB O=S1(=O)CC[C@@H](N(CCCN2CCOCC2)C(c2ccccc2)c2ccccc2)C1 575420712 JJSCOILBODBNHZ-HSZRJFAPSA-N 428.598 2.987 0 40 IFAB Cc1ncc2n1CC[C@H](C(=O)N1CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC1)C2 583662760 UMMBUZJOOJSOOE-KRWDZBQOSA-N 440.935 2.802 0 40 IFAB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)Nc2ccc(OC)cc2)CC[C@@]1(C)O 604383347 XXEDEBYPUYCIRT-QNWVGRARSA-N 427.501 2.556 0 40 IFAB biogenic,in-vitro C[C@]1(c2cccc(CNC(=O)N[C@@H]3CC4(CCC4)Oc4ccccc43)c2)NC(=O)NC1=O 1119599351 GODCQFLPTMAYEJ-WZONZLPQSA-N 434.496 2.987 0 40 IFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2nnc([C@@H]3CCOC3)o2)CC1 2298104765 MRPFCCLRSFWYOP-MRXNPFEDSA-N 427.480 2.643 0 40 IFAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc3c(c2)OCO3)C1=S 868474 LWCXHMDYZMMVSV-KRWDZBQOSA-N 441.509 2.770 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 1424396 CSRGLZZLWQSAMZ-UHFFFAOYSA-N 444.944 2.705 0 40 IFAB O=C(O)CNC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 2134035 WNUATWWWJHSRCU-RCCKNPSSSA-N 443.459 2.911 0 40 IFAB CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1OCC 2422654 VEYIVIBRBDXPIW-STZFKDTASA-N 449.532 2.756 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)CC2=O)cc1 3414294 LGMJMOKSGDGSQT-KRWDZBQOSA-N 449.507 2.909 0 40 IFAB CCCCCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 5042620 QBWARFHZPUDMOG-UHFFFAOYSA-N 430.553 2.725 0 40 IFAB COc1ccc(CCN2C(=O)c3ccc(C(=O)NCc4ccccn4)cc3C2=O)cc1OC 8906897 RSOCNCCYSGFDEM-UHFFFAOYSA-N 445.475 2.868 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)CN2C(=O)c4ccccc4C2=O)CSC3)cc1 8909766 GTOCDRIYTRWRMN-UHFFFAOYSA-N 434.477 2.862 0 40 IFAB COc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 9210811 ARSLEFRKURPQHN-OAHLLOKOSA-N 449.486 2.881 0 40 IFAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9245875 IEJFZGCZQRILEX-OAQYLSRUSA-N 431.395 2.532 0 40 IFAB O=C1CN(C(=O)CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)c2ccccc2N1 9723249 ONWMMKOQVCBXNL-UHFFFAOYSA-N 442.541 2.649 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 10032392 VJWCLNCIZKGPQW-FYSMJZIKSA-N 437.544 2.665 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1cccc(Br)c1 10110224 LZQFNAMNNGSIHW-UHFFFAOYSA-N 425.348 2.964 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1 11835043 XGCWBATXIBGPCE-UHFFFAOYSA-N 430.511 2.614 0 40 IFAB CN(CCc1ccncc1)C(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl 11859461 UBPXLGLLLSNPAU-UHFFFAOYSA-N 435.933 2.752 0 40 IFAB COc1ccccc1C(=O)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914540 OMAXLFXATORUDS-GFCCVEGCSA-N 428.304 2.880 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1 12521319 HCHKPVZFNBOELC-UHFFFAOYSA-N 445.516 2.629 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)c(OC)c1 12852710 UPXKLTKGDSBJDF-ZIAGYGMSSA-N 429.498 2.941 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=S)Nc2ccccc2)CC1 13084852 VFFQFWFETDEGFO-OAQYLSRUSA-N 442.560 2.851 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 13298449 VXFJYXUZANRPDJ-RQXATKFSSA-N 430.545 2.773 0 40 IFAB in-man CCOC(=O)c1cccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1C 13670561 GDABCHBPUMLJBE-UHFFFAOYSA-N 434.514 2.581 0 40 IFAB COc1cc(C2=N/C(=C\c3cc(OC)c4c(c3)OCCO4)C(=O)O2)cc(OC)c1OC 14249006 JZVLYITZHJWCCX-AUWJEWJLSA-N 427.409 2.837 0 40 IFAB COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1 14251404 WKGXINIJIRNMLU-FQEVSTJZSA-N 446.301 2.541 0 40 IFAB O=C(/C=C/C(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1 16711659 PBCKEUUBUGSDSJ-MDZDMXLPSA-N 440.494 2.518 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(OC(F)F)cc2)cc1OC 19006086 RDYWMQQTWHBDAV-UHFFFAOYSA-N 430.429 2.612 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)c1 19235087 SRTUUJMRTFHWBU-FQEVSTJZSA-N 430.574 2.512 0 40 IFAB O=C(COc1ccc(CN2CCc3c(O)nc(-c4ccncc4)nc3C2)cc1)N1CCCC1 19334455 IJRXZSZYEDJLIQ-UHFFFAOYSA-N 445.523 2.804 0 40 IFAB O=S(=O)(NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1)c1ccc(F)cc1 19419334 UZHYDUGLUDCEQX-UHFFFAOYSA-N 433.895 2.665 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H]3c3ccnc4cc(C)nn34)ccc21 19499162 HAHRAPNILFTMTL-LJQANCHMSA-N 439.541 2.863 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C)nn2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527338 BOSRSLJBGUNFQN-OAQYLSRUSA-N 449.530 2.942 0 40 IFAB COc1ccc(CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)cc1OC 19560741 SKJDYEAUDVPPKX-FQEVSTJZSA-N 428.533 2.512 0 40 IFAB COc1cccc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)c1 19694744 ZQGNWPCZXPXOEH-IBGZPJMESA-N 445.523 2.947 0 40 IFAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)COc2c(C)cccc2C)cc(N(C)C)n1 19760295 FCMKAIIVXDIUGE-FQEVSTJZSA-N 439.560 2.880 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(C)cc1 20674631 NDCWRDAJXXOZTG-VXKWHMMOSA-N 434.540 2.519 0 40 IFAB COc1cc2nc(CSc3nncn3-c3ccccc3OC)[nH]c(=O)c2cc1OC 21253979 MTVLNXWZDQGNKW-UHFFFAOYSA-N 425.470 2.822 0 40 IFAB C[C@H](NC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1-c1cccs1)c1ccccc1 23142268 SNUNBRIKDIFWNF-KRWDZBQOSA-N 437.569 2.877 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CCN(Cc3cccc(Cl)c3)CC1)C2=O 23639691 LWHGYWYVGCIORW-UHFFFAOYSA-N 425.916 2.979 0 40 IFAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23827864 UJNZRKGAPRVITG-GFCCVEGCSA-N 438.962 2.706 0 40 IFAB O=C(NCCCN1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 25015315 PCJCJTGUULEXLT-QFIPXVFZSA-N 441.597 2.652 0 40 IFAB COC(=O)CNC(=O)c1nn(-c2ccccc2F)c2c1Cc1cc(OC)c(OC)cc1-2 32093817 LLOSHJOCQACUOI-UHFFFAOYSA-N 425.416 2.503 0 40 IFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 32678995 FUERTHACNFJSLI-SFQUDFHCSA-N 444.578 2.922 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)NC[C@H](O)CO[C@@H](C)c3ccccc3)c(C)n2n1 32933037 IQWACAZENFZMTA-WMZOPIPTSA-N 443.573 2.651 0 40 IFAB CCN1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccc(Br)cc23)N(C)C1=S 39556331 ATIBZNGNVOCMSH-CHHVJCJISA-N 436.331 2.997 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1=O 39565463 YLCRFFHHVMTLLJ-UHFFFAOYSA-N 447.822 2.534 0 40 IFAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCc1nnc2ccccn12 40143928 NQMAFWUIRSCBRE-UHFFFAOYSA-N 429.406 2.805 0 40 IFAB COc1cccc(CNC(=O)C(=O)NCC2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 43942477 FFWHLBNWPIPHBB-UHFFFAOYSA-N 449.507 2.726 0 40 IFAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ncn(Cc2ccccc2)n1 48312596 AJWPTNSZTVYKLV-XMMPIXPASA-N 444.495 2.654 0 40 IFAB O=C(Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)NCc1ccc(F)cc1 57429059 BKTAFJWGOGGQPY-UHFFFAOYSA-N 445.422 2.948 0 40 IFAB CC(C)N(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1nc2ccccc2c(=O)[nH]1 58174282 LWLRGMOGMNGVEN-INIZCTEOSA-N 433.512 2.897 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)c(C)s1 58326532 ZVVHOPDEGQHVQB-OAQYLSRUSA-N 427.482 2.971 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)CC2 59404237 OGBQWAAKDZHPFC-UHFFFAOYSA-N 433.549 2.578 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(C)cc2)nc2c(c1=O)CN(C)CC2 62007122 NVTKVPIXMXJDPQ-UHFFFAOYSA-N 446.507 2.632 0 40 IFAB O=C(OCCN1C(=O)CNC1=O)c1cc2cc(Br)cc(Br)c2o1 64675769 VSECLUPBAVYWCZ-UHFFFAOYSA-N 446.051 2.666 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 67286545 QRSHHQMFOIMORK-OAQYLSRUSA-N 443.544 2.695 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H](Cc2ccccc2-c2cccc(C)c2)C1=O 72351617 AIKKLYGYCZIRAV-JOCHJYFZSA-N 430.508 2.661 0 40 IFAB COCCCOC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 78995358 HUCVZALPKNDISG-UHFFFAOYSA-N 432.542 2.982 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](CN3C(=O)c3cncnc3)Oc3ccccc32)cc1 96111704 KYPOLNDRSBKDJK-FPOVZHCZSA-N 430.464 2.694 0 40 IFAB biogenic,in-vitro Cc1nc(Cn2cnc(-c3nc(C(=O)NCCN4CCCC4)c4ccccn34)c2)cs1 96155038 QXGLKOVSVUPSNI-UHFFFAOYSA-N 435.557 2.837 0 40 IFAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)[C@H]4CCCO4)cc3n2)CC1 100232796 DDKQLJWCWZEBOJ-WOJBJXKFSA-N 427.549 2.865 0 40 IFAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CCn2cnnn2)CC1 100657975 VKPRVYROGGQVRJ-GASCZTMLSA-N 426.546 2.728 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@H]3C2=O)cc1 101166180 PFNSOOOZUMNPKV-ZWKOTPCHSA-N 427.848 2.671 0 40 IFAB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cccc1N(C)S(C)(=O)=O 222435578 RVUOAYAIMHXZRO-INIZCTEOSA-N 445.541 2.552 0 40 IFAB CCCSc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)s1 223239840 WXRZKJDWYFLGHS-CYBMUJFWSA-N 428.561 2.514 0 40 IFAB COc1cccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(C)cc3)nc2)c1 223383407 GLKQFNSWFCUZNY-UHFFFAOYSA-N 426.498 2.867 0 40 IFAB Cc1ccccc1OCCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 223642514 GFZBHFVKUCCVQC-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)COc3ccccc3)CC2)cc1 225501757 XLVWYVKQTZMZBE-QGZVFWFLSA-N 432.542 2.680 0 40 IFAB CN(c1cccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)c1)S(C)(=O)=O 225646506 HHBYURQDUMVZSJ-UHFFFAOYSA-N 432.571 2.696 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 260828934 FXDXXHWLNLHYFY-MRXNPFEDSA-N 448.541 2.888 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 408652198 FSQBMRUIKKRFFF-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408666768 SKRQTNTVNYCZAV-NHUSPQTBSA-N 426.513 2.841 0 40 IFAB Cn1c(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc2ccccc2c1=O 576900703 JQKBNXNAVLUNMD-QFIPXVFZSA-N 431.492 2.959 0 40 IFAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 585148071 GMQSZYSVJZBXPD-FQEVSTJZSA-N 433.464 2.862 0 40 IFAB CCOC(=O)[C@]1(C)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 4354450 FNDRMHMJFIHCSU-AZXNSQLWSA-N 438.455 2.800 0 40 IFAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2c1=O 4791269 UNYWKDXJKDGFIN-UHFFFAOYSA-N 426.561 2.971 0 40 IFAB CC(C)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 4899996 HJNYSZOPKBPHFX-DUXKGJEZSA-N 442.512 2.546 0 40 IFAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 8298659 GXFLSPBZQJISHC-ZNLUXHQJSA-N 435.503 2.817 0 40 IFAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1-c1noc(C)n1 8587188 RQTLNWKKMJXDEL-UHFFFAOYSA-N 432.477 2.704 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 8825784 JWNLRCGUGAEITG-UHFFFAOYSA-N 429.531 2.529 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 9050482 YMJYAXNLFWRBCS-KZZKVKKMSA-N 447.601 2.987 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1 9253870 AGOLTKGYQODKTK-UHFFFAOYSA-N 435.506 2.592 0 40 IFAB COc1ccc(C(=O)CSc2nnc(CC(=O)Nc3ccccc3OC)n2C)cc1 9262633 ZELBCMJYQJYNAV-UHFFFAOYSA-N 426.498 2.989 0 40 IFAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9318276 YETLWHIOSTYYMD-UHFFFAOYSA-N 434.539 2.973 0 40 IFAB O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 9321066 FLIROKLGRMXHDS-UHFFFAOYSA-N 431.471 2.651 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2O)cc1 9464297 RKTSFXINAIOZGI-GFCCVEGCSA-N 440.905 2.916 0 40 IFAB CCOc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccc4OC)CC3)CC2=O)cc1 9519966 NYKVJMIVGQGUAS-GOSISDBHSA-N 438.528 2.731 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCO)Cc2ccc(Cl)c(Cl)c2)cc1 9892637 NNHZFBOYHRJWKP-UHFFFAOYSA-N 445.368 2.991 0 40 IFAB COc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1 11696174 DDEGOQSBFXOGKT-INIZCTEOSA-N 440.525 2.667 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 11914263 WHHZHMOVJRNCTP-CQSZACIVSA-N 442.331 2.809 0 40 IFAB COCCCN1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 12221127 AFSNSSHKWFCRGN-FXAWDEMLSA-N 437.544 2.553 0 40 IFAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12757674 HVDOZDCOPATBAV-OAHLLOKOSA-N 449.523 2.787 0 40 IFAB CC(=O)NCCCc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 12762691 XJICBTOLIVBXLQ-RUZDIDTESA-N 433.508 2.722 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(OCC(F)(F)F)nc3)CC2)cc1 12805346 MKUZJWVRLHCINI-UHFFFAOYSA-N 436.434 2.728 0 40 IFAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCCc3cccs3)cc1O2 13723705 BDEFSACRIGKUIQ-UHFFFAOYSA-N 442.537 2.832 0 40 IFAB CCNc1nc(NCC)n2c(=S)n(CC(=O)Nc3ccc(OC(F)F)cc3)nc2n1 16778207 JWVVNURTFMXJTP-UHFFFAOYSA-N 438.464 2.759 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2nn(-c3ccccc3C)c(=O)cc2OC)CC1 17136142 ATRVMWYKSSOLFZ-UHFFFAOYSA-N 434.496 2.521 0 40 IFAB Cn1ccnc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19291151 DUJKVMGBGUMIAH-HXUWFJFHSA-N 438.576 2.809 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)o1 19690001 BMBYVLGYVRRXDZ-GOSISDBHSA-N 434.500 2.891 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)n1 19694337 GLMIOJOUHCLIRC-IBGZPJMESA-N 436.491 2.810 0 40 IFAB Cn1nc(C2CC2)cc1C(=O)N1CCc2nc(N)c(C(=O)Nc3ccc(F)cc3)cc2C1 19701050 RWPMVBVFMPCKKM-UHFFFAOYSA-N 434.475 2.865 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(-c3ccc(F)cc3)c1=O)NCC2 20114019 MDSNWTXZQLPKOY-SFHVURJKSA-N 429.473 2.992 0 40 IFAB biogenic CCCOc1ccc(N2C(=O)C[C@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 20595517 QGLIQEAETDHMLE-NRFANRHFSA-N 427.545 2.832 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3Cl)n2N)c(OC)c1 21576079 LQSCNHKGOXTDGO-UHFFFAOYSA-N 433.921 2.738 0 40 IFAB COc1cc(OC)c(N2C[C@H](C(=O)N3CC(=O)Nc4ccccc43)CC2=O)cc1Cl 22064419 RSGZJBZEBSLHGG-GFCCVEGCSA-N 429.860 2.695 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 22484516 FTGYHDPXKZBXPD-YADHBBJMSA-N 448.567 2.930 0 40 IFAB O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 27664417 DDDPLLOHRYKKSO-VKJFTORMSA-N 426.322 2.658 0 40 IFAB CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1nc2ccccc2c(=O)[nH]1 32510700 UVMDRICRANCMNW-GOSISDBHSA-N 431.452 2.919 0 40 IFAB CCOC(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)C1 32764502 DICDPXLBYZWQOS-HNNXBMFYSA-N 449.573 2.906 0 40 IFAB COCCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nc(C)c1C 32894025 YKQDYGPDIMWVTJ-QGZVFWFLSA-N 439.603 2.899 0 40 IFAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)CCn1cnc2ccccc21 32916445 VSVNISWNLDCUEX-FQEVSTJZSA-N 441.601 2.557 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)cc1 32995873 OEMHJUJIVGJJSK-GPZRYRNASA-N 430.526 2.687 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12 44791615 FWLQYBFOOXAJFT-UHFFFAOYSA-N 437.565 2.950 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccccc1F 44873809 RSTYUNUCBVKUCF-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)Nc1ccc(F)c(Cl)c1 49421714 NQCKTIAGGBGWEH-UHFFFAOYSA-N 439.827 2.646 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 56903583 VULHLMGKTKCYJO-UHFFFAOYSA-N 425.496 2.902 0 40 IFAB COc1cc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc(OC)c1OC 57486094 ZTJUBYWHVSWNAN-UHFFFAOYSA-N 447.513 2.545 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)C1 58031213 AYWUUSYMERUCIB-AWEZNQCLSA-N 426.589 2.831 0 40 IFAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccccc1-n1cnnn1 59777465 BKRJPBGGOMCVMZ-UHFFFAOYSA-N 444.698 2.888 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)CC1 59849842 XQUNHOHRJKYKDE-UHFFFAOYSA-N 441.557 2.852 0 40 IFAB Cc1nc2ccc(C(=O)Nc3ccccc3C(=O)N3CCC(C(N)=O)CC3)cc2nc1C 71818901 SZURUCHASNVSEZ-UHFFFAOYSA-N 431.496 2.836 0 40 IFAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC[C@@H]1CCCO1 72334400 CTJXHHLHYZKPKJ-RZPFDVGOSA-N 433.552 2.529 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)NCCn1ccc2cc(Br)ccc21 72401917 KBRXASRGGDKUEC-UHFFFAOYSA-N 440.301 2.715 0 40 IFAB O=c1c2cnc(NCCCN3CCc4ccccc4C3)nc2nc(O)n1Cc1ccccc1 77100710 PXHVCINUMRNSLR-UHFFFAOYSA-N 442.523 2.801 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@@H](CO)Cc3ccc(Cl)cc3)ccc21 78995352 AFZKCYDHVBGMSH-INIZCTEOSA-N 436.961 2.633 0 40 IFAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCOCC1)c1ccccc12 96242210 COQWJAYSNONWCX-LJQANCHMSA-N 434.602 2.742 0 40 IFAB NCC1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218238644 DTWOKSAOLIYTED-CVEARBPZSA-N 429.767 2.946 0 40 IFAB C[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 220377569 ABPOHEHMLLYUHK-LLVKDONJSA-N 441.903 2.724 0 40 IFAB COc1ccc(CCCNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 222669674 LDHUGYZPUHNQEM-UHFFFAOYSA-N 434.558 2.636 0 40 IFAB CCN1CCN(C(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)CC1 224325761 DBXYQIXRIODWGN-UHFFFAOYSA-N 431.558 2.606 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 224451704 WRBJFBDACZTXMA-QGZVFWFLSA-N 431.558 2.924 0 40 IFAB CN(C)C(=O)c1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 224808910 INCGQGCUPGAUQS-UHFFFAOYSA-N 439.484 2.852 0 40 IFAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4ccccc4Cl)no3)ccc21 225684141 DZAFWROPRPMAEA-UHFFFAOYSA-N 436.902 2.782 0 40 IFAB CO[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)s1 225707826 DBUGMLSFWOYSHT-ZDUSSCGKSA-N 428.919 2.721 0 40 IFAB COc1cccc2cc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)c(=O)oc12 225732759 GLPPIQOHZWWXHW-UHFFFAOYSA-N 448.401 2.881 0 40 IFAB Cn1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)ccc1=O 257298474 RLTXNHCLJVWQHC-HXUWFJFHSA-N 442.903 2.597 0 40 IFAB CNC(=O)c1cc([C@H]2CC[C@H](CNS(=O)(=O)c3cnn(C)c3)CC2)nc2ccccc12 257312891 UQBYWQIUZKUSJE-WKILWMFISA-N 441.557 2.580 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn12 306127606 GDIAAHQXUPXPMJ-NRFANRHFSA-N 433.560 2.531 0 40 IFAB CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408560268 YHTUUDKQUWCFKP-UHFFFAOYSA-N 432.542 2.748 0 40 IFAB COC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C)ccc1OC 408622586 PHFYGEVGWCOUCE-SFHVURJKSA-N 434.558 2.967 0 40 IFAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)N2C(=O)CNC(=O)c2ccccc2)N1 2037818030 HQAWIAFSDPMJNS-BHIFYINESA-N 437.515 2.827 0 40 IFAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc12 1320758 OSSANPJUNLSJGD-UHFFFAOYSA-N 443.481 2.909 0 40 IFAB CCNc1nc(NCC)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1 2345192 VZFGIDPVMRVNPI-UHFFFAOYSA-N 429.308 2.616 0 40 IFAB C[C@@H]1CCc2c(sc3nc(COC(=O)c4nn(C)c(=O)c5ccccc45)[nH]c(=O)c23)C1 3290891 FOKDMFWDQVWWAS-LLVKDONJSA-N 436.493 2.713 0 40 IFAB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(I)c2)cc1 3325167 HZSIFFSSBAJKSE-UHFFFAOYSA-N 439.209 2.577 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1 6531075 JBFWJJPWKGSFID-HUUCEWRRSA-N 429.952 2.613 0 40 IFAB O=C(CSc1nc(O)cc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc(F)cc1 8582925 DYPDDLXSYUSODN-UHFFFAOYSA-N 434.474 2.853 0 40 IFAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 8611902 LJHQTUUMMYLKQN-UHFFFAOYSA-N 429.329 2.539 0 40 IFAB O=C(COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)Nc1ccc(Br)cc1 8732515 MLWRSNBQWULKPU-LBPRGKRZSA-N 433.258 2.904 0 40 IFAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(-n2cnnn2)cc1 8745023 YDXJKPMDTOXWEE-UHFFFAOYSA-N 432.513 2.910 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C 9283152 GTDVORMDEDMSEB-UHFFFAOYSA-N 447.344 2.528 0 40 IFAB CCOC(=O)c1ccc(N[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 9353481 ICMHVOPOYIJGJD-SFHVURJKSA-N 426.469 2.663 0 40 IFAB CCCCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2cc(C(=O)OC)ccc2c1=O 9398029 GZTUGYIMFUKECH-GDBMZVCRSA-N 447.557 2.759 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cccc(C)c1O 9661700 YQNUTCNAOQAOGM-UHFFFAOYSA-N 446.525 2.979 0 40 IFAB COc1cccc([C@H](CNC[C@@H](O)CN2CCOCC2)c2c[nH]c3ccccc23)c1OC 9729829 KAVXKBBNRLRKNZ-NQIIRXRSSA-N 439.556 2.600 0 40 IFAB COc1cccc(COc2cn(C)c(C(=O)N3CCN(c4ccccc4)CC3)cc2=O)c1 12069880 VSWBTBZXGGFHIS-UHFFFAOYSA-N 433.508 2.935 0 40 IFAB Cc1ccc2c(c1)C(=O)N[C@]1(CCC(=O)N(CC(=O)N[C@H](C)c3cccs3)CC1)O2 12085689 VJYSNHLTFMZQPF-IVZQSRNASA-N 427.526 2.765 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(C)cc4C)c3c2=O)cc1 12228692 JOTXGTNYSNMVJC-UHFFFAOYSA-N 445.479 2.933 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)cc1 12348257 PYKSZDLBJVFZPB-UHFFFAOYSA-N 438.509 2.972 0 40 IFAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN([C@@H]2CCS(=O)(=O)C2)C4)cc1 12442551 UTXFTKCIURXJII-OAHLLOKOSA-N 427.478 2.808 0 40 IFAB biogenic COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 12468438 ZKKZXKNJTVJOEQ-HXUWFJFHSA-N 432.480 2.861 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cc(Cl)cc(Cl)c1 12734261 LDSSPRVCGCGRHU-UHFFFAOYSA-N 430.313 2.578 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)N1CCN(Cc2ccccc2F)CC1 12763649 BZJBVUNDUPTAPK-UHFFFAOYSA-N 432.927 2.694 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)cc1 12805192 SSBPFENGUFYDOI-QGZVFWFLSA-N 434.945 2.733 0 40 IFAB CCCn1c(=O)n(CC(=O)NCC(=O)Nc2ccccc2Br)c2ccccc21 12935556 ICSVRPRSICUYSD-UHFFFAOYSA-N 445.317 2.730 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(SCC(=O)NC3CC3)nnc12 13085804 XOTRPMPLQOPPFJ-GASCZTMLSA-N 440.573 2.844 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@@H]1c1ccc(OC)cc1 13117255 ORMCEUQZDIQIJP-IRLDBZIGSA-N 434.500 2.999 0 40 IFAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)c(OC)c1OC 15674646 CIULTUYXPCOHIS-MSOLQXFVSA-N 425.485 2.994 0 40 IFAB biogenic,in-vitro CC(C)C[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16022144 TUBRIGMLJAQQEY-HSGJQSDISA-N 435.499 2.835 0 40 IFAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccc(F)c1 18016931 ZZBZGHZSQCIWOL-OAQYLSRUSA-N 445.516 2.930 0 40 IFAB C[C@@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccccc1Cl 18591499 AKNNAMUMTGBKGN-CQSZACIVSA-N 428.872 2.851 0 40 IFAB CC(=O)N1CCc2cc(NC(=O)CSc3nnnn3-c3ccc(Cl)cc3)ccc21 18709580 PAIRUFJRLRNLII-UHFFFAOYSA-N 428.905 2.956 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C3CCOCC3)[nH]c(=O)c2C1 19014776 ZEDIOPUVMKGKSO-OAQYLSRUSA-N 428.577 2.941 0 40 IFAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)c1ccc(C)c(C)c1 19213476 GNCAHRUCFQMDOR-UHFFFAOYSA-N 433.443 2.628 0 40 IFAB Cc1nc(N)c2ccc([C@H]3CN(C(=O)CN4CCC(c5ccccc5)CC4)CCO3)nc2n1 19704791 OVDOKQOKOBXLCJ-JOCHJYFZSA-N 446.555 2.695 0 40 IFAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 19758565 MUYQXRULFDAJIH-UHFFFAOYSA-N 445.570 2.772 0 40 IFAB Cc1cccc(CSCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 20061551 HOXIUCZYOXKYQD-UHFFFAOYSA-N 448.610 2.988 0 40 IFAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3ccc4ccccc4c3)CC2=O)c1 20730114 UTFBJTRQSZAUEB-HXUWFJFHSA-N 431.492 2.748 0 40 IFAB CCN1CCN([C@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 21097979 CEDGPVQZKHQAHO-JOCHJYFZSA-N 431.602 2.958 0 40 IFAB COc1cccc(CCCNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 22335848 PDFPENKZRYOMPP-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB O=C(CN1CCN(Cn2ncc3ccccc3c2=O)CC1)Nc1ccccc1C(F)(F)F 22358778 VXCNCXKTBYGRTG-UHFFFAOYSA-N 445.445 2.629 0 40 IFAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cc(F)ccc1Br 25133503 ARHXJJVXOAFJOW-UHFFFAOYSA-N 435.702 2.950 0 40 IFAB COc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)cc(OC)c1Br 31194018 HKZOBTXFHFYPAH-UHFFFAOYSA-N 425.323 2.941 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2Oc2ccccc2)NC(=O)N[C@@H]1CC 32666191 BGWNDRQHPHMGCX-MRXNPFEDSA-N 425.441 2.939 0 40 IFAB NC(=O)C1CCN(c2nc(NCc3ccco3)c3cnn(-c4ccc(F)cc4)c3n2)CC1 40267298 FFDNGABRJXGMGS-UHFFFAOYSA-N 435.463 2.861 0 40 IFAB CCCOc1ncccc1CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 48302634 JQRUHHHJIAXMHV-IRXDYDNUSA-N 447.557 2.598 0 40 IFAB COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 49406247 UMEQFRAGZXZNIP-UHFFFAOYSA-N 439.903 2.964 0 40 IFAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 84155164 UQNFOLXNWUIOPG-OALUTQOASA-N 438.528 2.997 0 40 IFAB C[C@@H](CN(Cc1ccccc1)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)O 95424398 SNZUAWDQBOKNQK-KRWDZBQOSA-N 433.526 2.999 0 40 IFAB Cn1cc(Br)c(=O)c(NC(=O)NCCc2cc(F)cc3c2OCOC3)c1 95942282 FRKGBJCTKUASFB-UHFFFAOYSA-N 426.242 2.518 0 40 IFAB O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 101251611 RDMNATBELOOMFB-SRYPRDQNSA-N 434.602 2.925 0 40 IFAB O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 219260550 QOQGRVFIBFWJRI-GFCCVEGCSA-N 438.556 2.577 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222412007 PLDKJQKYRYOKEX-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225079723 FHURRZREJHWGTM-CQSZACIVSA-N 429.498 2.669 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 225572302 FLRQHQTZYNINFT-UHFFFAOYSA-N 426.498 2.760 0 40 IFAB COc1ccc(CC(=O)N2CCC(n3c(=O)[nH]c4ccc(F)cc4c3=O)CC2)cc1Cl 225762467 DYCBBKMOLOITFN-UHFFFAOYSA-N 445.878 2.897 0 40 IFAB Cc1cccc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(S(=O)(=O)N(C)C)C3)ccn2)c1 257228584 FUKRTZRTOMJCFT-IBGZPJMESA-N 440.573 2.988 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)nn2c(C)c1CCC(=O)N1CCCC1 257247192 IXVVVGCXTGGQFN-SFTDATJTSA-N 439.560 2.744 0 40 IFAB CN(C)CCN1C[C@@H]2N(S(=O)(=O)c3cccs3)CC[C@@]2(c2ccccc2)CCC1=O 306142416 WYXIHSPVKWMMAC-SIKLNZKXSA-N 447.626 2.633 0 40 IFAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)c(OC)c1 408661264 FLGHJQVVGJKWPS-UHFFFAOYSA-N 428.441 2.807 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 408662019 PDQMLVUZOFBQEJ-PMACEKPBSA-N 434.448 2.946 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704213 LAEWJTWVNOLYMO-UHFFFAOYSA-N 448.497 2.777 0 40 IFAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 408713448 ZEZPFFKBLUUSQR-UHFFFAOYSA-N 429.542 2.849 0 40 IFAB Cc1cc(C)n([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccsc2)n1 575613893 LFXMGELBRZHAGC-IBGZPJMESA-N 432.571 2.831 0 40 IFAB Cc1c(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cccc1-n1cnnc1O 582997193 INWBLCZLVAMEHA-CQSZACIVSA-N 448.476 2.637 0 40 IFAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N=c3[nH][nH]c4nc(O)ccc34)c2)c1 646311230 TUOUFNJNYNAGTH-UHFFFAOYSA-N 437.481 2.755 0 40 IFAB O=C(CCCn1cnc2ccccc21)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1180248479 IFPKGQXNJBPHSI-SJLPKXTDSA-N 429.464 2.785 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccc(CN3CCCCC3)o1)n2Cc1ccccc1 1275251 RWWKNRJKNDTRMV-UHFFFAOYSA-N 448.527 2.663 0 40 IFAB Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)n2)o1 1364593 RZNBALDJGDDAGW-CQSZACIVSA-N 431.470 2.978 0 40 IFAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6177034 ZLUUBCAVDHUMTG-UHFFFAOYSA-N 441.509 2.847 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCCCC3)cc2c1 6196974 LCJVLPGOFNLIJO-GHTZIAJQSA-N 438.532 2.668 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6300145 DZDQWIWRBVYJOR-MRXNPFEDSA-N 441.919 2.647 0 40 IFAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 9090174 OHQAULGWYFUTJQ-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCO2 9103896 CJQLINDQZHBEMD-KGLIPLIRSA-N 429.498 2.839 0 40 IFAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C 9243216 LOMBLRDRVHSLTJ-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1)C1CC1 9580197 UXJBGBNKMISUBT-SECBINFHSA-N 432.531 2.732 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2C(=O)OC)ccc1C 9613478 VCQYGSKLKSVQEL-UHFFFAOYSA-N 440.543 2.613 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1 9645506 ZYQARFHMIINSJO-UHFFFAOYSA-N 446.550 2.970 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O 9704035 JBMAICJYKHHIMY-HXUWFJFHSA-N 433.823 2.656 0 40 IFAB C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)Nc1ccc2c(c1)OCO2 10016050 OYDFKVRDNNAMOE-OAHLLOKOSA-N 437.452 2.702 0 40 IFAB CCCCn1nnc(NC(=S)NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1 10129387 PALXJUJLNRTKFQ-UHFFFAOYSA-N 436.538 2.796 0 40 IFAB COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 10186684 BOJSCLBZQZAEBY-UHFFFAOYSA-N 425.510 2.790 0 40 IFAB CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11153139 DSFWORBOZQMCDV-UHFFFAOYSA-N 426.517 2.873 0 40 IFAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719803 IZEARZACYLPZOP-GFCCVEGCSA-N 429.514 2.796 0 40 IFAB COc1cc(C(=O)NCC(=O)Nc2cccc(N3CCCC3=O)c2)ccc1OC(F)F 11916764 DMARAPFNSFCCEW-UHFFFAOYSA-N 433.411 2.792 0 40 IFAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)Nc1cccc(Br)c1 12201449 OJFSDXSUPAIOTE-UHFFFAOYSA-N 439.287 2.912 0 40 IFAB O=C(OCc1ccccc1)C1=NN[C@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 12376511 IZYOYMNRCFAWOR-FQEVSTJZSA-N 431.370 2.800 0 40 IFAB CN(CCS(=O)(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(F)cc1 12697905 LDQBCWRMNNFDQR-UHFFFAOYSA-N 429.311 2.932 0 40 IFAB CN(C)c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1 13119437 XVVNLABMEHTETQ-UHFFFAOYSA-N 443.360 2.812 0 40 IFAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)n(C)n1 13614561 QZNVTRMRZWDJDG-UHFFFAOYSA-N 444.517 2.596 0 40 IFAB C[C@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)NC1CCCCC1 13956436 RIIQKUMKUQTEEL-AWEZNQCLSA-N 433.553 2.856 0 40 IFAB O=C(COC(=O)CCC1=NC(=O)[C@H]2C3=C(CCC3)S[C@@H]2N1)NCc1ccc(Cl)cc1 14136190 SIOMVONNCLDFPR-CTNGQTDRSA-N 447.944 2.935 0 40 IFAB CN(Cc1ccc(C(F)(F)F)cc1)c1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Cl 14232364 QYQAKNJCQFEVMK-ZDUSSCGKSA-N 435.855 2.912 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC12CC3CC(CC(C3)C1)C2 14233693 DTJMUDGQGRHWJA-LRYXAPPNSA-N 448.585 2.847 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc3c(c2)OCCO3)c1 14866880 VXQXREAOFCQPLQ-UHFFFAOYSA-N 432.542 2.769 0 40 IFAB COc1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 15616967 QFALQOAUTFFGSY-HNNXBMFYSA-N 447.941 2.921 0 40 IFAB COC(=O)c1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1 19291267 SBGQFCVIILFCJM-JOCHJYFZSA-N 438.503 2.750 0 40 IFAB O=C(Cc1cc(F)ccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19293032 NGFACGAYYDZZFI-HNNXBMFYSA-N 442.510 2.907 0 40 IFAB CCN1C[C@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)CC2)CC1=O 19526864 JVEIEZSRBAWDPZ-OWCLPIDISA-N 427.471 2.586 0 40 IFAB Cc1ccn2cc(C(=O)N3CCC[C@@H](c4ncccc4C(=O)N4CCOCC4)C3)nc2c1 19709299 XMVYWWKJFZXFEM-GOSISDBHSA-N 433.512 2.530 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)cc1C 19763048 HVTXOZCPMWQHHF-QGZVFWFLSA-N 446.573 2.681 0 40 IFAB O=C(C[C@@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc(Br)c1 19991021 JXZZDPSZEIIWSX-NRFANRHFSA-N 445.313 2.546 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c(OC)c1 20247481 RUHCUUVRHKISQC-UHFFFAOYSA-N 435.480 2.893 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(Cc3ccccc3F)CC2)cc1 22848685 PTMLAAAPWZHBPQ-LJQANCHMSA-N 426.536 2.737 0 40 IFAB COc1cc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)ccc1OCc1ccccc1 25770558 UHROEDOYZIRWGR-IBGZPJMESA-N 432.542 2.705 0 40 IFAB COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 29993398 KGOYATRMTQLMTA-OFNKIYASSA-N 437.540 2.546 0 40 IFAB O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCOCC1 35361611 IHWSLUAGXMUVLY-UHFFFAOYSA-N 444.535 2.518 0 40 IFAB CCc1nc(-c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2OC)no1 35538860 QXTXUADDXKXCLY-UHFFFAOYSA-N 442.541 2.814 0 40 IFAB COc1ccc(NC(=O)c2nnc(CN3CCN(c4ccccc4O)CC3)s2)cc1 40052239 UIKUESOSYJNZJJ-UHFFFAOYSA-N 425.514 2.827 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 48375023 MNYWZSXBBHNLQT-QZTJIDSGSA-N 426.561 2.645 0 40 IFAB COc1cccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2cccnc2)c1 49003631 DIHCXGBEGANJIE-UHFFFAOYSA-N 429.436 2.997 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1)c1ccccc1 56907969 CEYWRIHEPXUEBU-LEWJYISDSA-N 444.601 2.702 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 58144330 YAOHMCBUQAKYRN-HOZJOUCCSA-N 426.561 2.501 0 40 IFAB O=C(Nc1ccc(-n2cncn2)c(Cl)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 58163561 JENBDMALCWIPTC-ZDUSSCGKSA-N 439.859 2.684 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 58166295 PRMGVXMRBHDUQI-UHFFFAOYSA-N 426.473 2.656 0 40 IFAB Cc1csc(SCc2ccccc2C(=O)OCC(=O)N[C@H]2CCCCNC2=O)n1 58640950 PHQNNHSUZJIJQA-INIZCTEOSA-N 433.555 2.686 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)c3coc(NC(=O)c4ccco4)n3)sc2c1 62023042 IVMXIAKGIUCXCM-UHFFFAOYSA-N 432.439 2.785 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)CCc2ccco2)CC1 72335917 KEVBITDBGJIQAV-UHFFFAOYSA-N 446.573 2.802 0 40 IFAB COc1cccc(S(=O)(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)c1 77160805 YWGKECDZGVFVRJ-UHFFFAOYSA-N 426.542 2.565 0 40 IFAB O=C(O)CCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 79035443 XILWQLKLNOGTLT-IBGZPJMESA-N 427.453 2.603 0 40 IFAB COC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2c(c(OC)c1OC)OCO2 85413052 UUFLUGRCQIXCBE-AUUYWEPGSA-N 426.377 2.605 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 89969035 NRNXRCOMKGGRJJ-UTKZUKDTSA-N 447.601 2.641 0 40 IFAB COc1ccc(CN2CCC(NC(=O)CCCc3nnc4ccccn34)CC2)cc1OC 96118167 BPCFWKLLLCSZSC-UHFFFAOYSA-N 437.544 2.850 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCCc1nc3ccccc3[nH]1)C=C2 96232120 PFBVGVBEXQNHPT-UHFFFAOYSA-N 434.496 2.685 0 40 IFAB Cc1cc(NC(=O)CN2CCN(C[C@H](O)COc3ccc(C(C)(C)C)cc3C)CC2)no1 96837094 NFDAAKKBKSNIIX-FQEVSTJZSA-N 444.576 2.585 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(c6ccc(OC)cc6OC)=NO[C@H]45)[C@H]3C2=O)cc1 100204555 BIFZSCVBWDVLQM-UQOCTWFCSA-N 448.475 2.887 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 102087307 IRUDFGZNFIITJO-OOOLTRJPSA-N 444.487 2.830 0 40 IFAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc(Cl)cn1 113482586 NGHZHDKFNAPOEH-CHWSQXEVSA-N 434.974 2.973 0 40 IFAB O=C(NC1CCCC1)C1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 199426536 UWHTURPAVYUGFM-QFIPXVFZSA-N 435.524 2.570 0 40 IFAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1F)[C@@H]1C=C[C@H]2[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]12 217580261 ZAOKSCPLTUYESP-JBRASWGCSA-N 434.398 2.692 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1 219980135 GDIZHOYAUPTOAM-UHFFFAOYSA-N 426.498 2.760 0 40 IFAB CCOCc1ccc(C(=O)N2CC[C@H](c3ccnc4c(Cn5cncn5)c(C)nn34)C2)cc1 257260505 LDEGHZFRWXETMS-FQEVSTJZSA-N 445.527 2.844 0 40 IFAB Cc1cc(Nc2nncs2)cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257340572 ZGSSQTGMKBIXIH-IBGZPJMESA-N 439.497 2.970 0 40 IFAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)c(OCC)c1 409217159 SRMMIOFGAMAJAF-LTKMBJGESA-N 434.514 2.816 0 40 IFAB CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)c1cccc(C(F)(F)F)c1 561425597 LOLNXPGELUZVLR-IEBWSBKVSA-N 440.510 2.557 0 40 IFAB CCc1nnc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3ccnn3C)n2)s1 585292787 SHEOVCFLFUFGOP-ROJDOSBLSA-N 438.561 3.443 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCCN3CCCC3)ccc21 643584803 TUTYRYWJJHPYFV-UHFFFAOYSA-N 444.620 2.935 0 40 IFAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCCCC2)cc1 1848353998 DWQQLSXNBKPDRL-XMMPIXPASA-N 449.599 2.548 0 40 IFAB CCOC(=O)CNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O 2809788 MOHVPJKIAAIYKP-UHFFFAOYSA-N 430.888 2.939 0 40 IFAB C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 3415063 VFJWXVLQWQOSFF-ZIAGYGMSSA-N 434.480 2.742 0 40 IFAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3CN(C)C)c(=O)n1C2 4237231 XRXYZHLYUUHZRO-PKOBYXMFSA-N 429.586 2.736 0 40 IFAB biogenic,in-vitro CCOC(=O)O[C@@H]1[C@@H](OC(=O)OCC)[C@@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]12 5201876 DPMUGDANRAMDDH-ZXXIGWHRSA-N 426.418 2.555 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)sc2c1CCCC2 9285754 YYEOOFHIGCWSRH-UHFFFAOYSA-N 426.527 2.981 0 40 IFAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1F 9675381 RCHYYIOWBPJQSH-SJORKVTESA-N 433.802 2.859 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(Cl)c4)nc32)cc1OC 9739334 MTKYGGAQBOYZSS-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 11563808 LJCKLRWKLXBJFP-UHFFFAOYSA-N 442.516 2.729 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 11859860 LUYSMPIWLNBQAS-GOSISDBHSA-N 432.498 2.698 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1 12237782 IFXOYGDPDGLPCP-UHFFFAOYSA-N 433.468 2.855 0 40 IFAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n(N)c2=O)cc1 12348029 IUGZCPGBPNBMLJ-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB Cc1ccc(Nc2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)s2)cc1 12534840 OPBMCHIKQQOECX-UHFFFAOYSA-N 445.570 2.870 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NC(=O)NC1CCCCC1 12622664 LPTYTXGROAWSET-INIZCTEOSA-N 444.557 2.826 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)N(C)C 12688625 ALFIDPXNPDBSDM-CQSZACIVSA-N 441.550 2.531 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)NC(=O)N[C@H]1C 12696215 JOJUISVGXPYKPG-ZDUSSCGKSA-N 443.456 2.546 0 40 IFAB CSc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 12767159 DGHMOEHIOWSRDD-UHFFFAOYSA-N 447.582 2.950 0 40 IFAB CC(C)[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12876617 BJLNUBUORVZSKO-YIEPVFBUSA-N 438.528 2.523 0 40 IFAB biogenic CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 13468979 WFPYHBYBIXXFGM-PMACEKPBSA-N 440.477 2.868 0 40 IFAB COCCNC(=O)[C@@H](c1ccccc1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 13508742 ZDJWPWTWUNUVMD-HSZRJFAPSA-N 437.544 2.810 0 40 IFAB Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 13691550 FAFLSWHBOKTDNX-GOSISDBHSA-N 448.932 2.823 0 40 IFAB O=C(CN1CCN(C(=O)c2cncc(Br)c2)CC1)Nc1ccccc1Cl 14075696 BIFJLYJBCDBPTI-UHFFFAOYSA-N 437.725 2.894 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(Cc2ccccc2)s1 16685352 ICVWXZKXPDHVQS-HNNXBMFYSA-N 447.542 2.526 0 40 IFAB CC(C)C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C(=O)c2ccccc2C1=O 18049649 UVCWNYHOJLLLAX-MRXNPFEDSA-N 447.413 2.870 0 40 IFAB Cc1cn(CC(=O)N2CC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)NC(C)C)C2)nn1 19238739 BTLLHDFXJCXXHA-RUZDIDTESA-N 446.555 2.635 0 40 IFAB COc1ccc(-n2nnc(C)c2C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 19554676 HLQNVDNVDLQQGG-UHFFFAOYSA-N 441.513 2.621 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CN(C(=O)c2cnccn2)CCO1 19580812 YBEIQEXLFBDLAC-RUZDIDTESA-N 430.508 2.686 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)CC2)n1 19705876 SUVNZDFBLXCIOA-UHFFFAOYSA-N 449.486 2.744 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 19744378 OQIFDGKFCUANOY-KRWDZBQOSA-N 446.548 2.585 0 40 IFAB COc1ccc(OC)c(CN2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c1 19765928 NQAFQFBFOCFYKP-UHFFFAOYSA-N 440.544 2.533 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 20014231 YDWSATXLJCLQPT-CQSZACIVSA-N 440.949 2.996 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 20214347 QVFLRMQUGQHQFD-HSZRJFAPSA-N 434.540 2.988 0 40 IFAB Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 22520362 DIICBAHYAIOBMX-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(CC(=O)N2CCCCC2)CC1 22697800 BWRVSFKKBLMKHY-UHFFFAOYSA-N 428.508 2.570 0 40 IFAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2 23138992 AOXLOJPQIDFNSW-UHFFFAOYSA-N 429.329 2.952 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)C(=O)c1c[nH]c3ccccc13)CSC2)NCc1ccco1 23139334 GOCBJFZMXKTMAJ-UHFFFAOYSA-N 449.492 2.842 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)NCCNc3cc(-n4cccn4)ncn3)s2)cs1 23144557 QIAQAGPFIMVNGW-UHFFFAOYSA-N 447.571 2.546 0 40 IFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 23805296 CFXNHLARVBERSI-NRFANRHFSA-N 433.480 2.949 0 40 IFAB CC(C)[C@@H](C)NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 26677939 AGQCPHFSMUJBSE-GOSISDBHSA-N 438.590 2.888 0 40 IFAB COc1ccc(CN(CC(=O)N2CCCc3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 27649025 TZJCONSTHBAAOY-FQEVSTJZSA-N 428.554 2.664 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C)c3cnn(-c4ccc(F)cc4)c3C)ccc21 31562530 XOWOQNDKBWTIMP-CYBMUJFWSA-N 435.459 2.834 0 40 IFAB O=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)c1ccc2c(c1)CCCC2 32615376 HVNOJBKWNARHTA-UHFFFAOYSA-N 426.476 2.715 0 40 IFAB Cc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1S(=O)(=O)c1ccccc1 35396710 QYSBYGVLVGOPLE-UHFFFAOYSA-N 428.485 2.753 0 40 IFAB O=C1N[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)CS[C@H]1Cc1ccccc1F 40052209 FOIMAVGVVQREIB-OALUTQOASA-N 427.501 2.734 0 40 IFAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1 44974252 PXXWJSUXPLRWAM-GOSISDBHSA-N 447.491 2.624 0 40 IFAB CCn1nc(-c2ccc(OC)c(S(=O)(=O)N3CCSCC3)c2)c2c(c1=O)CCCC2 46027759 UWCFOZQRYATKQX-UHFFFAOYSA-N 449.598 2.555 0 40 IFAB O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@H](CN1CCCC1=O)c1ccccc1 48326476 OMOQMXBBTDMHKP-OAQYLSRUSA-N 431.496 2.777 0 40 IFAB O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 57003943 MGKLGDNOKSXQFM-UHFFFAOYSA-N 429.464 2.686 0 40 IFAB CCCOc1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1OC 57593676 KAEFXCLKEMKHKV-UHFFFAOYSA-N 436.512 2.679 0 40 IFAB O=C(C1CC1)N1CCc2nc(C3CCN(Cc4ccc(F)cc4F)CC3)[nH]c(=O)c2C1 72399003 LBBCHXADRDVUPC-UHFFFAOYSA-N 428.483 2.722 0 40 IFAB Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCc1cccc(O)c1 89702547 OOSDVTCAMVIAIH-NRFANRHFSA-N 447.539 2.642 0 40 IFAB O=C(NCC(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2)OCc1ccccc1 101323006 HFXVTDYWGUIVDW-OALUTQOASA-N 442.537 2.909 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccc(Br)s1 103512084 RQGQEWRNCMWWOC-BETUJISGSA-N 443.388 2.811 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(C)cc1)S(C)(=O)=O 219104415 QSSWQYSQIUAVBD-GOSISDBHSA-N 428.514 2.906 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccccc4)no3)ccc21 223141344 ZOMZAJHAAOSGGG-UHFFFAOYSA-N 426.498 2.856 0 40 IFAB C[C@H](COc1ccccc1)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223655878 HRESJAYKIYHOEC-QGZVFWFLSA-N 448.541 2.588 0 40 IFAB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc2c(c1)OCCO2 224828514 SHDPWRGSAAENKL-UHFFFAOYSA-N 442.287 2.589 0 40 IFAB COc1ccc(CN(C)CC(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 257239927 HRJZMRDAXZRXBV-NRFANRHFSA-N 448.527 2.656 0 40 IFAB CN1c2ccccc2N(C2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)S1(=O)=O 390832119 XJUPRJADAYQBJC-UHFFFAOYSA-N 439.493 2.599 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(F)cc1 408786852 WQRPIORIZCVXNO-VOMPUTFMSA-N 438.480 2.643 0 40 IFAB Cc1noc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 604404854 HEEBIORQLSQJNC-OAQYLSRUSA-N 431.452 2.589 0 40 IFAB biogenic CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(Cc1ccc(CO)o1)CC2 1549168651 XKSHARSUZMEUJZ-JOCHJYFZSA-N 439.556 2.843 0 40 IFAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@@H]12)NCCC1CCOCC1 1565550474 BIRUZCCITFRVJI-ZACQAIPSSA-N 444.498 2.588 0 40 IFAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12)N1CCC(N2CCOCC2)CC1 1772595905 RWYOYPFJAOHZGJ-GPXNEJASSA-N 443.563 2.540 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(Cl)c2)cc1 665430 VZENMPRBGKWMQL-SFHVURJKSA-N 438.933 2.839 0 40 IFAB CCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 5203901 SBEYBASCBZDENP-JKSUJKDBSA-N 425.485 2.590 0 40 IFAB CCCCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9000911 UKAQDDMXOYZTOG-UHFFFAOYSA-N 443.507 2.983 0 40 IFAB COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 9262507 VAIOWRKLDOUYDW-LLVKDONJSA-N 432.531 2.502 0 40 IFAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccc(F)cc1 9263805 GXQSOFIEVVKGQO-UHFFFAOYSA-N 428.445 2.588 0 40 IFAB Cc1c(NC(=O)[C@H](C)Sc2nc3sccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 9314840 MVNKTNMVNBUZFT-LBPRGKRZSA-N 441.538 2.902 0 40 IFAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1[C@H]1CCS(=O)(=O)C1 9336207 REIUITNIQGPRRB-ZDUSSCGKSA-N 426.589 2.865 0 40 IFAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@@H](C)CC)NC(=O)N[C@@H]1C 9468184 CKSMBSDUOSJSCC-QWHCGFSZSA-N 430.530 2.978 0 40 IFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9539415 KTNDNSBYCPARQG-XMMPIXPASA-N 436.512 2.709 0 40 IFAB CC(C)CCNC(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 9716356 HMJXJEBGDOBIEO-UHFFFAOYSA-N 437.544 2.685 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2)cc1 9961326 DIWIPYCLHWEQEO-HZPDHXFCSA-N 434.514 2.711 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@@H](c2ccccc2Cl)n2nnnc2N1 10232283 YPRUKJVRRCNVJO-QGZVFWFLSA-N 425.832 2.660 0 40 IFAB COc1ccc(-c2coc3cc(OCC(=O)N4CCN(C(C)=O)CC4)ccc3c2=O)cc1 12321090 MBQAUFQHGMZQMR-UHFFFAOYSA-N 436.464 2.538 0 40 IFAB biogenic CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc12 12411546 NKJLSSFMOVZLIK-UHFFFAOYSA-N 435.480 2.893 0 40 IFAB biogenic,in-vitro O=C(CCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 13036882 NHAIPJRJADBQDY-UHFFFAOYSA-N 431.475 2.631 0 40 IFAB CCN(C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)[C@H]1CCS(=O)(=O)C1 13525704 VXZDRTXPFHHIRF-KRWDZBQOSA-N 427.950 2.731 0 40 IFAB COc1ccc([C@@H]2OCCn3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1O 13572377 ZFHNPAGQOQCSRB-QHCPKHFHSA-N 447.491 2.848 0 40 IFAB Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1-n1cccc1 14521064 WPDDTBOMPSBMSL-UHFFFAOYSA-N 439.537 2.737 0 40 IFAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)c1 17095006 QEVPZJHQGXFHSG-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19238671 CCHYIZACWYYFQG-ROUUACIJSA-N 428.558 2.541 0 40 IFAB C[C@@H]1CCc2nc(NC(=O)c3ccc(=O)n(CC(=O)Nc4nccs4)c3)sc2C1 19749311 AABWDJVAAPACIC-LLVKDONJSA-N 429.527 2.777 0 40 IFAB CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C(=O)/C=C/C(=O)O)C2=O)cc1 20129800 LZIBDTOGLJLHGJ-SJFMBGHLSA-N 436.464 2.777 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)c2)cc1 22612349 KATQBGIUSQRNRM-ROUUACIJSA-N 431.558 2.635 0 40 IFAB Cc1cccc(CN2CCN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c1 23105564 KTKUNOKUGJUQJJ-OAQYLSRUSA-N 428.602 2.957 0 40 IFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1OC 30868123 UVIAXCLRYSAAMF-AWEZNQCLSA-N 436.530 2.890 0 40 IFAB CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@@H](C)[C@@H]2[C@H]1O 30884109 UCAOEWRYTXQODZ-WLULSOSOSA-N 430.593 2.903 0 40 IFAB biogenic,in-vitro Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 32073887 YIBBYMIFBAWHGE-QGZVFWFLSA-N 434.294 2.565 0 40 IFAB CCCOc1c(Br)cc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1OC 32988585 WEBKBSFNYLUDAZ-UHFFFAOYSA-N 425.323 2.941 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 34878572 YZJYZJHTSTYSOU-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)c1C 36386990 YEFOOOPFIDHWFP-UHFFFAOYSA-N 431.540 2.945 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 36396024 LWVYTAMMTLVINX-ZIAGYGMSSA-N 447.395 2.720 0 40 IFAB CCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1)C1CCCCC1 36447064 KVFAYNZSTLIJFI-UHFFFAOYSA-N 427.998 2.828 0 40 IFAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4C)ccc32)c1-c1ccccc1 40391301 BPQAPNVRSVTBIU-UHFFFAOYSA-N 440.463 2.945 0 40 IFAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 48324325 LHHUMXBMFCJDQG-INIZCTEOSA-N 433.516 2.815 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1 71328300 ZPMCHDBSFKXSAF-UHFFFAOYSA-N 432.440 2.660 0 40 IFAB Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@]2(O)c2cccnc2)C1 72342992 VIDGOZLQULOMTE-NBQZKYEYSA-N 430.555 2.703 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 72404800 YSOMCXAZQBOZKI-INIZCTEOSA-N 430.936 2.885 0 40 IFAB O=C(Nc1ccccc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251345 AVRUEUXZFPRDTF-CYFREDJKSA-N 434.544 2.753 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 101322944 VIBOSNAORSQBMS-IRXDYDNUSA-N 449.550 2.631 0 40 IFAB COC(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)cc2c(=O)n(-c3ccccc3)nc1-2 101452064 DMEDOTICLYROIU-UHFFFAOYSA-N 435.436 2.940 0 40 IFAB CCOCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC)cc1 217487720 ZQAKJVVSAHPMFJ-UHFFFAOYSA-N 436.530 2.753 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222458638 OCZBBAVZBWPIEU-IBGZPJMESA-N 445.585 2.541 0 40 IFAB COc1ccccc1N(CC(=O)NCc1cccc(CN2CCCCC2)c1)S(C)(=O)=O 224658744 SJRKVBBNOVEQQA-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1CN(C)S(=O)(=O)c1ccccc1 224810517 SPZOFALFDQKLKR-LJQANCHMSA-N 432.542 2.815 0 40 IFAB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1S(=O)(=O)N1CCCC1 225038878 SWTQJASFFMTXJY-UHFFFAOYSA-N 431.539 2.945 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(Cl)cc1 225111855 FYQKMFWRNQTRLK-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl 225249153 YVKOLDJKAAQOPO-CYBMUJFWSA-N 445.324 2.716 0 40 IFAB S=C(NC[C@H]1CCCO1)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225910727 OJPBAKSDBZRZEK-MRXNPFEDSA-N 432.981 2.922 0 40 IFAB CCOC(=O)COc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CC2)cc1 225939850 YXPSPROAMMVJOU-UHFFFAOYSA-N 432.498 2.566 0 40 IFAB CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCN2CCCC2=O)cc1 257217399 CYTQOJHEAPGAGI-OAQYLSRUSA-N 442.556 2.958 0 40 IFAB O=C(CCCS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 257246551 IUQSLEZXIMFQJO-OAQYLSRUSA-N 440.525 2.626 0 40 IFAB CC(=O)N[C@](F)(Cc1ccccc1)C(=O)N1CCC[C@@](C)(c2cc(N(C)C)nc(C)n2)C1 257300915 RWFKZPGLJVQJAV-DNQXCXABSA-N 441.551 2.776 0 40 IFAB Cc1nc(N)ncc1C(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257319632 VTJVEDDWTPTVKW-IBGZPJMESA-N 442.907 2.579 0 40 IFAB CCN(CC)C(=O)c1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 257344511 ZXQXGLLRDHQUJG-IBGZPJMESA-N 447.561 2.766 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)N3CCC(n4cnc5ncccc5c4=O)CC3)c2O1 390831418 RSHMIFKZRFGCDI-UHFFFAOYSA-N 434.496 2.748 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)c(OC)c1 408655656 HZIHZWVWHDIOET-INIZCTEOSA-N 426.469 2.855 0 40 IFAB COC(=O)[C@@H]1NC(c2ccccc2)(c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 409191102 ZUMLRJMGPGCCEJ-BHDDXSALSA-N 426.472 2.881 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc(Cl)c1O 409214958 YVQATBQLOSGWNZ-IYVNWDGISA-N 440.905 2.776 0 40 IFAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 539683037 FVHMDGBHYXDVNK-GCJKJVERSA-N 433.508 2.761 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)Cc2nnc(O)c3ccccc23)Cc2ccccc21 643557775 YINQTWUDBQEEOC-UHFFFAOYSA-N 447.539 2.595 0 40 IFAB O=C(NCCc1c[nH]c2c(Cl)cccc12)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1642963081 NLKNONYXJQZUQF-JXFKEZNVSA-N 443.906 2.824 0 40 IFAB Cc1cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)ccc1Br 3434838 YRKVKMFEPWGPAC-UHFFFAOYSA-N 431.242 2.535 0 40 IFAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3521851 DHRARJBYTLUTEL-JTQLQIEISA-N 433.540 2.711 0 40 IFAB C[C@H](c1ccccc1)n1c(S)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3529908 ZBWNJENRSLIBSV-OAHLLOKOSA-N 430.555 2.864 0 40 IFAB CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6501513 GAVIVNUNMGCVNV-OAHLLOKOSA-N 431.562 2.802 0 40 IFAB CCOc1ccccc1C(=O)N[C@@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)C(C)C 8823995 ADYRCVMMEOQSOV-HXUWFJFHSA-N 438.480 2.679 0 40 IFAB C[C@@]1(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CCS(=O)(=O)C1 8862530 AQFDSRQBWQQCAF-HXUWFJFHSA-N 445.570 2.547 0 40 IFAB Cc1cc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)nc(C(C)C)n1 8897346 QATVZJCEEYKEOE-UHFFFAOYSA-N 436.560 2.561 0 40 IFAB Cc1cc(C)cc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 9269408 YEPISOALXVRNDB-SFTDATJTSA-N 441.553 2.967 0 40 IFAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 9677373 QABAJLZQQHIFFX-UHFFFAOYSA-N 430.555 2.751 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1-c1ccccc1N 10104088 NTWCJEXXRKAXBM-UHFFFAOYSA-N 432.459 2.525 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c(OC)c1 11584443 UOHRCYGMQDQYEQ-KRWDZBQOSA-N 444.484 2.562 0 40 IFAB Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)c1 11617402 VFQYRVWZVXDWNQ-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB Cc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 11796174 MSRBPFFOPOBYCO-UHFFFAOYSA-N 433.549 2.714 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n(N)c2=O)cc1 12348136 DQDKJJBEOSITLK-UHFFFAOYSA-N 439.541 2.689 0 40 IFAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCN(c4ccccc4Cl)CC3)cnc21 12440111 UOOYEHVRGTUTTF-UHFFFAOYSA-N 442.951 2.740 0 40 IFAB COc1cc(CN(C)S(=O)(=O)c2cc(N3CCCC3=O)ccc2C)cc(OC)c1OC 12462454 ZFHGOQJHMBLBRW-UHFFFAOYSA-N 448.541 2.968 0 40 IFAB biogenic,in-vitro CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)NC(=O)c1ccco1 12632344 SSMGJCKFACXSSM-OAHLLOKOSA-N 431.489 2.671 0 40 IFAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cn1 12632361 PUZWDDOVBCDPBB-HNNXBMFYSA-N 441.513 2.633 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12781172 UJTHHYBOPRSIFI-VUMMCCRTSA-N 448.585 2.679 0 40 IFAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCC 12867363 XYPQLIKJEKXSPL-AWEZNQCLSA-N 427.544 2.927 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NCc1ccccc1)n2CC(C)C 13039476 AAGNZKYLIBQIIJ-UHFFFAOYSA-N 425.533 2.591 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)N2CCOCC2)nc2ccccc21 13082896 MNGBEKZMBSYQSX-IAGOWNOFSA-N 430.574 2.777 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CC1 13592821 AHKJRMRFDJWBAM-RZQQEMMASA-N 433.599 2.552 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 14162263 VUFKBQQNFVJRIP-XMMPIXPASA-N 436.512 2.749 0 40 IFAB COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCOCC1 14843189 FDMOTJYGLUMMAV-UHFFFAOYSA-N 430.526 2.847 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 15616001 GNSWHICAOXCKJI-UHFFFAOYSA-N 436.537 2.688 0 40 IFAB Cc1nnc(NC(=O)CCc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)s1 16848440 CNYFBWQDENNWJI-UHFFFAOYSA-N 427.508 2.814 0 40 IFAB COc1cccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1OC 19567272 RXXMVHIVLHKGAG-UHFFFAOYSA-N 426.498 2.930 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 19578656 VEZXSRXRTFYJKT-VWLOTQADSA-N 431.540 2.838 0 40 IFAB Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccc5c(c4)OCCO5)nc13)O2 19635633 QGWMPFXLSMWHQG-KRWDZBQOSA-N 442.439 2.613 0 40 IFAB CC(C)N1CC[C@@H](c2c(CNC(=O)[C@H]3CC(=O)N(C(C)C)C3)cnn2-c2ccccc2)C1 19707914 NTBHFSUZDNIRTC-UXHICEINSA-N 437.588 2.943 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 19709685 WNPPFKDEGCVDBT-UHFFFAOYSA-N 445.589 2.682 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 19751852 ANUXXULMHYCOTM-FQEVSTJZSA-N 442.491 2.529 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1 20233873 ZIAPHCXHJCCFBV-UHFFFAOYSA-N 439.493 2.628 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 22560800 ONRUCTLSVQYHKA-MRXNPFEDSA-N 437.496 2.517 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697733 RKAXWKWXDLKCJU-NRFANRHFSA-N 447.507 2.511 0 40 IFAB CNS(=O)(=O)c1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1C 22702356 KZCLAPJCPGSJDG-UHFFFAOYSA-N 428.514 2.899 0 40 IFAB COc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1S(=O)(=O)N1CCCC1 23075286 VQGUMAQLTLTIRM-UHFFFAOYSA-N 428.470 2.782 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)CC1 24988970 BDTHBFPQNWPQGT-SFHVURJKSA-N 431.558 2.727 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)c1 32895463 VYUKFDNPZCVTJM-LJQANCHMSA-N 447.582 2.871 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2nc(N3CCN(c4ccccc4)CC3)cnc2c1 33301619 FLGPXEWHKSPVLA-UHFFFAOYSA-N 425.558 2.987 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C1=O 40040052 QTSCVFDTWAHSSR-VWLOTQADSA-N 449.507 2.671 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855436 STFPYEBJPOMYHV-UZLBHIALSA-N 430.526 2.941 0 40 IFAB O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945227 SHOVMWWMRJAPPZ-HXUWFJFHSA-N 438.553 2.637 0 40 IFAB COC(=O)c1ccccc1N(CC(=O)c1ccc(Br)cc1)S(C)(=O)=O 57486369 UVHGKOVRKRALRG-UHFFFAOYSA-N 426.288 2.885 0 40 IFAB COc1ccc(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1Cl 58135314 GTBGRSDSUIPMKT-NTEUORMPSA-N 449.960 2.905 0 40 IFAB O=C(Nc1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc1)c1ccc2c(c1)OCO2 72324891 DYLIYAJFFYEOJF-WBVHZDCISA-N 430.464 2.848 0 40 IFAB biogenic COc1ccc(C2(CN3CCC(NC(=O)[C@@H]4CCS(=O)(=O)C4)CC3)CCCCC2)cc1 72393622 FYXHVVDFKCHEBA-LJQANCHMSA-N 448.629 2.912 0 40 IFAB O=C(CCN1CCN(CC(=O)N2CCCc3ccccc32)CC1)NCC1CCCCC1 78802941 OMAMQMMYSFHVAR-UHFFFAOYSA-N 426.605 2.670 0 40 IFAB Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C(=O)NCc1nnc2ccccn12 89556294 YFHSPNDIEWOEIC-UHFFFAOYSA-N 431.500 2.776 0 40 IFAB CCOC(=O)C1=C(CN(Cc2ccccc2)[C@@H](CO)C2CC2)NC(=O)N[C@@H]1c1ccco1 89978335 CHOYRQQNFAAZKE-SIKLNZKXSA-N 439.512 2.724 0 40 IFAB CC(=O)N1CC2(CCCCC2)c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 96091718 RNKBHFPLTIJAEA-QFIPXVFZSA-N 439.556 2.718 0 40 IFAB COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)cc2c1OCCO2 96115170 WSOHCHNODQEBKE-UHFFFAOYSA-N 428.393 2.581 0 40 IFAB biogenic Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CCCC5)CC4)c3CO2)cc1 97943694 GRXMXIMFSHAMDI-OAQYLSRUSA-N 437.544 2.769 0 40 IFAB C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 100180920 VJXFDZRSUUSAGA-NDICIRAPSA-N 439.556 2.849 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 220334884 IDEXJJFYMUGXSB-OAHLLOKOSA-N 434.514 2.892 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1 222857943 DXVDAOOAOZVRFY-CQSZACIVSA-N 435.318 3.000 0 40 IFAB COCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222883370 KPDGSIGLTPQVNJ-MRXNPFEDSA-N 432.492 2.565 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](C)C(=O)NCCCO)cc1 222954286 PZZXNBCWAVZPIG-MRXNPFEDSA-N 434.920 2.643 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)c1ccc(F)cc1 223540951 GKYTWLZMQDXNGQ-UHFFFAOYSA-N 445.516 2.787 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223627353 XMAOKNZBZROKHA-GOSISDBHSA-N 435.524 2.925 0 40 IFAB COC(=O)c1cc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc(C(=O)OC)c1 224127522 IYQUREYHRJXMFH-UHFFFAOYSA-N 433.482 2.948 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c(C)c1 224157457 WQTQEMQFKLUTQP-UHFFFAOYSA-N 446.481 2.635 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1OC 224487867 VWAVLGLBJXYPBL-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB CCCc1ccc(OCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 224555729 NQPBUMRHHUXMKV-UHFFFAOYSA-N 430.526 2.759 0 40 IFAB Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224614297 KDDYYTYOSWLUIB-AWEZNQCLSA-N 432.527 2.845 0 40 IFAB Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257287539 PQKAOGNKUXFODE-HUMDQVGNSA-N 447.601 2.984 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 408593254 NCFCQQNIUSUDIF-KRWDZBQOSA-N 441.528 2.995 0 40 IFAB CS(=O)(=O)Nc1ccccc1CC(=O)O[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 1116496009 NRSHHFUHJIRKKO-QGZVFWFLSA-N 440.880 2.742 0 40 IFAB CCOC(=O)c1cnn2ccc(NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc12 1647786326 WRYSFHPRDMKZDA-INIZCTEOSA-N 446.504 2.866 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(F)cc2)cc1 812353 ZMCVFPLELACQSC-UHFFFAOYSA-N 429.473 2.741 0 40 IFAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)ccc1OCC(N)=O 814176 QDQOPXNKNUIZPF-OAQYLSRUSA-N 438.484 2.524 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC)cc3OC)C2)cc1 1363352 CFPQOLLKDWWGEN-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB COc1ccc(OCc2nnc(S[C@H](C)C(=O)NC(N)=O)n2-c2ccccc2F)cc1 2660769 XLHYLAABSQDZQP-GFCCVEGCSA-N 445.476 2.670 0 40 IFAB COCCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 3446790 UCBFELSKNKJGSL-CQSZACIVSA-N 441.509 2.933 0 40 IFAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3619332 GKMHGNDJTAKVHL-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc(F)c1 8825158 ANCPOHJZDNHXJL-SFHVURJKSA-N 442.896 2.964 0 40 IFAB Cc1cc(OCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2c3c(c(=O)oc2c1)CCC3 8877713 AGEMYBPIPGXGLB-SJORKVTESA-N 446.503 2.777 0 40 IFAB biogenic Cc1oc2cc(OCC(=O)NCCOCCO)ccc2c(=O)c1-c1ccc(Cl)cc1 8992246 SAQIGMLKPAQOLE-UHFFFAOYSA-N 431.872 2.926 0 40 IFAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 9205676 QKOXKHABFCQPGK-UHFFFAOYSA-N 445.479 2.681 0 40 IFAB COc1cccc(C(=O)N(CCS(=O)(=O)N2CCCCCC2)Cc2cccnc2)c1 9340434 ONBRROWDQCCTIW-UHFFFAOYSA-N 431.558 2.938 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)OCO2 9467173 RRRQYCPYGICZNH-KRWDZBQOSA-N 434.445 2.549 0 40 IFAB CC(C)(C)NC(=O)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 9918228 ZVGAECLVEKDQGG-UHFFFAOYSA-N 441.912 2.924 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9962222 NVHMMCBKACGUKY-CQSZACIVSA-N 439.493 2.720 0 40 IFAB Cn1c(C[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc2)nc2ccccc21 10116294 YFYJKULXRHJWJI-FQEVSTJZSA-N 434.521 2.935 0 40 IFAB CCOc1cc([C@@H]2c3c(-c4cccc(OC)c4)nnc(O)c3Nc3nnnn32)ccc1O 10296982 MKLRXWFTXBTPMG-LJQANCHMSA-N 433.428 2.643 0 40 IFAB O=C(c1cccnc1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 12089336 WLVUYMZBKBTSIA-FQEVSTJZSA-N 430.512 2.790 0 40 IFAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(S(=O)(=O)CC)C1 12156710 NRFPUAWEXXZEHZ-FXAWDEMLSA-N 426.510 2.704 0 40 IFAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12937827 NHQUZZLOHUKXIT-FQEVSTJZSA-N 433.961 2.666 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](C)c3cccc(F)c3)CC2)c(C)c1 13031453 ONEUGIPYIOJFLY-GOSISDBHSA-N 433.549 2.626 0 40 IFAB O=C(CNC(=O)Cc1cccc2ccccc12)NC[C@H](c1ccc(F)cc1)N1CCOCC1 13138042 QJKNQGMWXOEKOU-XMMPIXPASA-N 449.526 2.827 0 40 IFAB O=C(N1CCOCC1)N1CCN(c2ncc(-c3cccs3)c(-c3cccnc3)n2)CC1 13266244 AMVLYQCMMHYYFZ-UHFFFAOYSA-N 436.541 2.841 0 40 IFAB CN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2CCCO)c2cc(Br)ccc21 13593069 RAQUQCBWUSCYJQ-MRXNPFEDSA-N 442.313 2.844 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)cc1 13959605 MVFQHWAQTYNVTJ-IZZDOVSWSA-N 442.522 2.624 0 40 IFAB COc1cc2nc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)[nH]c(=O)c2cc1OC 14240906 ZMZQWTXGBAUGPO-UHFFFAOYSA-N 449.433 2.676 0 40 IFAB O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 15386378 GARCIEQWRVOFTG-UHFFFAOYSA-N 429.361 2.586 0 40 IFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1I 16277471 NATIAHUSMPZTOS-UHFFFAOYSA-N 439.184 2.886 0 40 IFAB Cc1cc(NC(=O)[C@H](OC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)no1 16563113 SOQCTYZKCWHVBY-HXUWFJFHSA-N 433.420 2.892 0 40 IFAB CCn1c(COC(=O)c2cccc(Cl)c2N)nc2cc(S(=O)(=O)N(C)C)ccc21 18404941 CUINAVFMTTUHOY-UHFFFAOYSA-N 436.921 2.899 0 40 IFAB COc1cccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 19497314 DHIPBILIYKYGET-HOTGVXAUSA-N 426.517 2.688 0 40 IFAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4ccnn4C)nc32)c1 19744287 DAHYAYWHCZDJHT-IBGZPJMESA-N 446.511 2.594 0 40 IFAB C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)N1CCc2ccccc2C1 21327675 QBUOKKUNGJXNLC-GOSISDBHSA-N 433.508 2.920 0 40 IFAB O=C(CN1CCN(C(=O)c2cccnc2N2CCCC2)CC1)Nc1ccccc1Cl 23805058 NKFAIBZQWDOHHK-UHFFFAOYSA-N 427.936 2.732 0 40 IFAB Cc1noc(C)c1C(=O)OCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 24293099 VKIBMRIWLBGRSE-UHFFFAOYSA-N 446.813 2.864 0 40 IFAB CN(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 32781239 YVSLUSGZPKCILK-OAQYLSRUSA-N 427.526 2.791 0 40 IFAB CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)C(C)C)c1 35378692 NYANGMWZDVXKNO-UHFFFAOYSA-N 433.486 2.563 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)Nc1ccc(N2CCOCC2)c2nonc12 35898140 AQSHUXMEBUYNTN-OBQMCUGOSA-N 426.473 2.691 0 40 IFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(Cc3ccncc3)CC2)c2ccc(Cl)cc21 36357905 FXQLTBCAVMHWKJ-NRFANRHFSA-N 442.903 2.718 0 40 IFAB CC(=O)c1cccc(OC[C@@H](O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 40050653 VCNFEASNCDQVJS-MJGOQNOKSA-N 442.537 2.656 0 40 IFAB O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 48253683 DTQNINBJKGLHHB-QGZVFWFLSA-N 449.477 2.865 0 40 IFAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NC[C@@H]3COc4ccccc4O3)n2)c1 61718150 WZAWTOYQOUNEKW-CQSZACIVSA-N 443.843 2.670 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)cc1 79049673 YZMHUSFEMXWLAV-VXHQTHCQSA-N 440.631 2.926 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)N(c3cc4c(cc3Cl)OCO4)C3CCCCC3)cnc21 89745541 HSZVPWAVXIZIFG-UHFFFAOYSA-N 443.891 2.878 0 40 IFAB CCCCn1c(CCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)[nH]c(=O)n2CCC 89955412 JKUWQFJXETWFIO-UHFFFAOYSA-N 437.544 2.614 0 40 IFAB Cc1cc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 95350296 LVYUUNDQJAITQM-SJORKVTESA-N 446.529 2.691 0 40 IFAB O=C(CO)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 95453677 CPNVGIGIDUMISY-UHFFFAOYSA-N 437.674 2.973 0 40 IFAB Cc1noc(C)c1CC(=O)Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)co1 96119006 FFUNKQIHCIUFNP-UHFFFAOYSA-N 427.436 2.562 0 40 IFAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H]2CCCN(C)C2)cc1OC 96236467 NWHFPEJZKCTXDU-GOSISDBHSA-N 425.529 2.957 0 40 IFAB CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242284 PQYWHPLTKXTCRD-HXUWFJFHSA-N 447.645 2.802 0 40 IFAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)N1CCN(C(=O)c4ccccc4F)CC1)(C3)C2 103201114 ZCZDEUCYEYKFBO-RDNZODCXSA-N 427.520 2.585 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 139081817 FGDIYEXHCWPHMV-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC[C@@H]2CCCO2)cc(OC)c1O 199407205 QRIAPRCFJJKGKN-PMACEKPBSA-N 426.513 2.632 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)CC1 222612847 FMLIQTCMXXRKAD-UHFFFAOYSA-N 438.981 2.868 0 40 IFAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-n1cnnc1 223488238 GNXDDCCYOSXUKT-RTWAWAEBSA-N 430.541 2.971 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225016713 MKNUCHSEFMFFJX-NRFANRHFSA-N 447.557 2.715 0 40 IFAB COC(=O)CN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225115452 SEGVZHONAHNETH-UHFFFAOYSA-N 445.852 2.643 0 40 IFAB Cc1noc(CCC(=O)N2CC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)C4)C2)n1 257215136 COWAWVWALBCDOW-SFHVURJKSA-N 446.511 2.514 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c(O)c1CCC(=O)NC(C)(C)C 257252981 JXBPGPNLSMFKQE-HNNXBMFYSA-N 429.565 2.953 0 40 IFAB Cc1nonc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257279683 OHSOCDREDDCUFM-SFHVURJKSA-N 431.880 2.600 0 40 IFAB COc1cccc(-c2cncc([C@H]3CN(C(=O)CCc4c(C)nc(N)nc4C)CCO3)n2)c1 257298388 RLKQPFWQAQXXJR-JOCHJYFZSA-N 448.527 2.674 0 40 IFAB O=C(c1ccoc1)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306144328 ZCKJWZUJHMOBFJ-JOCHJYFZSA-N 439.493 2.543 0 40 IFAB Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 409138126 YYSPFSMUNMCCGJ-ZDUSSCGKSA-N 446.301 2.613 0 40 IFAB CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C1=O 409190243 QNZBXRPMCMWIRB-XNTDXEJSSA-N 430.258 2.989 0 40 IFAB O=S1(=O)CC[C@H](N2CCC(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)C1 575414365 HYJCKVLDWWFTSV-FQEVSTJZSA-N 440.631 2.664 0 40 IFAB CC(C)CC(=O)NC[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1ccsc1)CC3 585110176 SGUVYCLXUNDJNF-MRXNPFEDSA-N 428.558 2.543 0 40 IFAB CNc1ncc(CN2CCC3(CCCCc4ccccc4OC[C@@H](C)NC3=O)CC2)cn1 643561896 DKYNCBYSMQLQJD-LJQANCHMSA-N 437.588 3.411 0 40 IFAB CN1[C@H]2CC[C@H]1CC(N1CC(=O)NCCCCCOc3ccc(CCC(=O)O)cc3C1)C2 643572237 CALCAAIPDCIIMS-SFTDATJTSA-N 443.588 2.810 0 40 IFAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549162128 OCYSDFWJTGYKOQ-HNNXBMFYSA-N 439.299 2.653 0 40 IFAB CC(=O)N1CC[C@H]2CC[C@@H](CN(Cc3nccs3)Cc3ccccc31)N2S(C)(=O)=O 2037949619 FWQUSYVJPJZKSJ-MOPGFXCFSA-N 448.614 2.695 0 40 IFAB COc1cc([C@H]2c3cc4c(cc3[C@@](C)(O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 1583741 WFRLJGNYKYVMET-NJLMVQEGSA-N 428.437 2.583 0 40 IFAB CCOC(=O)c1c(N)n(C[C@@H](C)NC(=O)COc2ccccc2)c2nc3ccccc3nc12 3186838 SODFYQHVQOIELR-OAHLLOKOSA-N 447.495 2.927 0 40 IFAB C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 3415066 VFJWXVLQWQOSFF-KBPBESRZSA-N 434.480 2.742 0 40 IFAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)NC(C)(C)C)cc3C2=O)cc1 3471151 DKWQMDJHCNDFND-UHFFFAOYSA-N 437.452 2.517 0 40 IFAB COc1cc(CN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc(OC)c1OC 8918456 FVRVQYRNEINPRW-VWLOTQADSA-N 449.507 2.836 0 40 IFAB biogenic CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC 8989340 OFVHKYXDZUQMOQ-LBPRGKRZSA-N 425.942 2.961 0 40 IFAB CCn1c(SCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccco1 9119744 IPAPLNRAHMWBET-UHFFFAOYSA-N 444.469 2.619 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1S(=O)(=O)N1CCCCC1 9508616 AAHRVZWFTKGHEZ-UHFFFAOYSA-N 449.602 2.906 0 40 IFAB O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 9508790 JDRQYZQOAZLXFR-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB COc1ccc(C2=NC3(CCN(CC(=O)Nc4cccc(SC)c4)CC3)NC2=O)cc1 9526775 VQYRFKQAQMOALQ-UHFFFAOYSA-N 438.553 2.767 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)CC2=O)cc1 9730238 QMZRZBLWTHKDHJ-GFCCVEGCSA-N 435.402 2.610 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1ccc(F)cc1 9761663 UHRMPLIGXJNFRO-UHFFFAOYSA-N 432.429 2.624 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10900428 BBOBZFULWGMNMB-NRFANRHFSA-N 441.553 2.813 0 40 IFAB COc1cccc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c1OC 11130037 OKLFPRLPVXGJKA-HNNXBMFYSA-N 435.498 2.521 0 40 IFAB COc1cc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc(OC)c1OC 12006008 JIAWLKGPRUKTCY-UHFFFAOYSA-N 448.497 2.667 0 40 IFAB O=C(Cc1cccs1)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21 12071472 BYXLTWBTGMESRN-UHFFFAOYSA-N 427.917 2.715 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(Cl)c1 12924831 KJGHYDMALCBJJE-UHFFFAOYSA-N 434.992 2.842 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 12932525 BUCMCZGUJIDGTR-UHFFFAOYSA-N 447.900 2.632 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12989266 XYJMLUDYELCRAE-INIZCTEOSA-N 431.533 2.648 0 40 IFAB NC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 13504792 VJSRTRKNFCCLPU-IBGZPJMESA-N 428.899 2.801 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1 13506552 DBWPERWDBIOBIE-UHFFFAOYSA-N 429.542 2.969 0 40 IFAB Cn1c(SC[C@H](O)COCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCC3 14200910 WKLCORACEYZHKD-CYBMUJFWSA-N 446.550 2.882 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 17831814 LHKUMDVNUWHPJU-UHFFFAOYSA-N 425.890 2.825 0 40 IFAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2ccnn2C)CC1 19757091 RYFZIBBBDMJFGP-UHFFFAOYSA-N 436.560 2.547 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 20017161 MRJBIYJWKFVNQM-INIZCTEOSA-N 436.505 2.560 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1C 23539982 UUZMAVUBNKHCAW-UHFFFAOYSA-N 440.905 2.582 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(OC(F)F)cc1 24067818 WYUCVNHPOWPINI-OAHLLOKOSA-N 427.473 2.733 0 40 IFAB CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1C(F)(F)F 24985571 RMSJMHFEHJYAIL-WBMJQRKESA-N 446.447 2.796 0 40 IFAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 26308582 CAHFSNLFECDYLX-KSSFIOAISA-N 428.480 2.593 0 40 IFAB O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1O 32859673 HLFRGSUHYLPAPQ-HNNXBMFYSA-N 429.922 2.551 0 40 IFAB CS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 32930201 ORGYQOUBQYZJEW-UHFFFAOYSA-N 427.448 2.903 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)cc1 36329966 UMBKHAKWXAKTEW-UHFFFAOYSA-N 440.569 2.689 0 40 IFAB CCCNc1nc(CSc2nc3cnn(C)c3c(=O)n2CC)c(C(=O)OCC)s1 36615202 XMXSXOVCZIURHM-UHFFFAOYSA-N 436.563 2.897 0 40 IFAB CCOc1ccccc1CNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 38752214 FJHQDQOWJMDMSJ-UHFFFAOYSA-N 426.922 2.830 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 38771382 OTABUHNHNXCATI-GOSISDBHSA-N 444.582 2.959 0 40 IFAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 48304140 LLYKCUIZDSTIHQ-LJQANCHMSA-N 437.521 2.976 0 40 IFAB O=S(=O)(c1ccc(SCCCc2nc(-c3ccccc3)no2)nc1)N1CCOCC1 57913507 BUMUTHPLCNCGHA-UHFFFAOYSA-N 446.554 2.877 0 40 IFAB O=C(CCn1ncc(=O)c2ccccc21)Nc1cc2c(cc1Br)OCCO2 58381751 AHFVLIHVYBEZQB-UHFFFAOYSA-N 430.258 2.959 0 40 IFAB Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 60905912 OMCWJUDSQKKWSA-UHFFFAOYSA-N 447.626 2.594 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 61718153 JZWBPQNWXJBWFA-UHFFFAOYSA-N 429.908 2.769 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 69291748 DGLDEDDVDFSSPW-LPHOPBHVSA-N 440.009 2.515 0 40 IFAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)nc2ccc(Br)cn2c1=O 96220969 PPNCASVTYKDXHN-LBPRGKRZSA-N 449.257 2.572 0 40 IFAB biogenic O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1 100603510 HMOOHAJODBTTHZ-GDXKHXNESA-N 429.472 2.831 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@H](C)O[C@H](C)C3)C2=O)cc1 215686635 MEGUYTZYQCPVGH-ZENOOKHLSA-N 436.555 2.623 0 40 IFAB CCc1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 225759644 GMSBPTUJNPOMIJ-UHFFFAOYSA-N 432.542 2.850 0 40 IFAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 226405976 BSQQNFFTCNJNFQ-DRNJTMITSA-N 442.471 2.957 0 40 IFAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCc3cccc4c3OCO4)CC2)c(C)c1 257213604 CIHFANBYZUBLGJ-VWLOTQADSA-N 440.540 2.944 0 40 IFAB O=C1NCCN(C(=O)CN2Cc3ccccc3C2=O)[C@H]1Cc1ccccc1-c1ccccc1 257253230 JYBJKLXYQQDRPD-DEOSSOPVSA-N 439.515 2.879 0 40 IFAB Cn1c(=O)n(C)c2cc(NC(=O)CN3CCOC[C@@H](Cc4ccc5ccoc5c4)C3)ccc21 257280985 ONEVOOOZQLRHPD-SFHVURJKSA-N 448.523 2.753 0 40 IFAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCCN3C(=O)COCC(=O)O)O[C@@H]21 257338841 YZDSHYLPGKNRTA-LHUKNYEISA-N 433.501 2.795 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 409195687 KEAPEVOJOHLJRD-UHFFFAOYSA-N 449.548 2.630 0 40 IFAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCCC3)cc2)cc1 585270413 WBZBVBPSTLSSCS-FQEVSTJZSA-N 428.529 2.568 0 40 IFAB O=C1CN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCN1 1673166896 KVBIODUOYLGZAM-LESCRADOSA-N 440.466 2.799 0 40 IFAB Cn1c(CCCC(=O)NC[C@@]2(O)CCCN(c3ccc(F)cn3)C2)nc2ccccc21 2037880151 JFEHUOILCNOWQG-QHCPKHFHSA-N 425.508 2.578 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)sc(C(C)=O)c1C 3436812 FDFTWZHNGYVLHZ-UHFFFAOYSA-N 433.438 2.960 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN(C)C)cc2c1 4132148 WXGLMZQCQRDHGL-HXUWFJFHSA-N 430.618 2.952 0 40 IFAB CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6500942 JECIUXCXZPQORW-AWEZNQCLSA-N 449.552 2.689 0 40 IFAB CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nn1C 8635350 MMNDYWSHYYHWJA-TYPHKJRUSA-N 445.633 2.660 0 40 IFAB biogenic,in-vitro COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OCC(N)=O 8966052 GFKMOORTQLLGDL-YXOJNZSOSA-N 438.480 2.707 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 9218166 DCBKPOFJRAWKQJ-KRWDZBQOSA-N 437.587 2.695 0 40 IFAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCCc4ccccc43)=C2)cc1OC 9290123 PHPXLUVRPDYOJC-UHFFFAOYSA-N 441.509 2.546 0 40 IFAB CCCCn1c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c2c1ncn2CC(C)C 9612855 MEVGDITYLJJJMA-UHFFFAOYSA-N 445.951 2.786 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 9675474 INQUKAOOEJSHBI-MSOLQXFVSA-N 429.839 2.973 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Br)s2)NC(=O)N1C1CC1 9723886 WQEPWGUUWLREJM-OAHLLOKOSA-N 426.336 2.872 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 9806134 SXAYTNWKNRMNJN-QGZVFWFLSA-N 435.933 2.556 0 40 IFAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9883262 VJSUSJHCYWNXPI-UHFFFAOYSA-N 441.509 2.677 0 40 IFAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 10271918 CZLPEGXBAYLZSI-GFCCVEGCSA-N 447.417 2.924 0 40 IFAB CCn1c(=O)n(CC(=O)N(C)CC(=O)Nc2ccccc2Br)c2ccccc21 10751285 GYJMHDLIKGFFRB-UHFFFAOYSA-N 445.317 2.683 0 40 IFAB O=S(=O)(CCSc1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 11540986 UNWXPGIUXBTZRV-UHFFFAOYSA-N 430.555 2.670 0 40 IFAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc5c(c4)OCO5)ncnc32)cc1 11758672 OCLMGTKJIIQESE-UHFFFAOYSA-N 436.453 2.679 0 40 IFAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(N)nc(N)n2)cc1 12534541 IQVRBXJBBUFBOF-UHFFFAOYSA-N 434.529 2.899 0 40 IFAB C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12630848 ADAQHFLLUAFEGA-SMDDNHRTSA-N 442.588 2.864 0 40 IFAB C[C@H]1c2ccsc2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12740579 XNOSMRIXFMFDQI-AWEZNQCLSA-N 446.598 2.964 0 40 IFAB CCCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 12982310 WUDZWJKEPCKKNT-UHFFFAOYSA-N 433.549 2.571 0 40 IFAB Cc1nnc(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)n1-c1ccccc1 13417375 SIZOAABPSKLXBJ-LJQANCHMSA-N 435.509 2.961 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCc3ccccc3)cc2)C1 14361117 KHRLHJCZIPRTPL-ROUUACIJSA-N 444.553 2.826 0 40 IFAB COC(=O)C1=NN(c2ccccc2)[C@@]2(S1)N(C)C(c1ccc(OC)cc1)=NN2C(C)=O 15231044 CLMIDQFHOWLXPY-OAQYLSRUSA-N 439.497 2.502 0 40 IFAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cl 16589259 NSKFCNLQOXXUBJ-QGZVFWFLSA-N 444.963 2.924 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2OC)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 17859216 OCTOPBDGAYMASL-PKOBYXMFSA-N 441.871 2.954 0 40 IFAB Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 19234499 PEZAJXVMPSXLTA-MBSDFSHPSA-N 444.597 2.723 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)N1CCOc2ccccc21 19374477 LMARNSMOAXSVEA-UHFFFAOYSA-N 442.479 2.690 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)CN2CCOCC2)n1 19689393 MZFPWJWDZMBZIH-LJQANCHMSA-N 429.952 2.859 0 40 IFAB CC(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699962 ANISMXYTEOJNML-OAQYLSRUSA-N 440.588 2.653 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCc1ccc(OC(C)C)cc1)c1ccc2c(c1)OCCO2 20489391 WUGOCKHSZJFVGX-UHFFFAOYSA-N 448.541 2.718 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc(Cl)c1 20801654 YLQHYDSOFYPQGU-VQTJNVASSA-N 440.931 2.868 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(CCN3CCCC3)CC2)nc1 22919274 SUPVBXHHJDDRHE-UHFFFAOYSA-N 443.617 2.515 0 40 IFAB O=C(Nc1nc(CN2CCOCC2)cs1)c1nn(-c2ccccc2)c(=O)c2ccccc12 23312405 WUCWWYMPUOYULS-UHFFFAOYSA-N 447.520 2.927 0 40 IFAB CCn1c(S[C@H](C)c2nc(C)no2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 25060719 UVSVVGZSCXTSQA-GFCCVEGCSA-N 437.547 2.622 0 40 IFAB CCCn1c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c2ccccc21 32205850 YZDGHSPNLSVXEK-UHFFFAOYSA-N 444.557 2.929 0 40 IFAB COc1cc(OC)cc([C@H](Nc2ccc(S(=O)(=O)NC(C)C)cn2)c2nccn2C)c1 32863494 RDIHKHOTSPXOKU-FQEVSTJZSA-N 445.545 2.721 0 40 IFAB C[C@H]1CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@H](C)O1 32899244 UOWBTIDFDKETCX-IRXDYDNUSA-N 449.548 2.856 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 32910542 OAVCLHIFXZTJSQ-FBQBUPJLSA-N 441.528 2.848 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)c(OCC#N)c(OC)c1 33403889 PLHIVHTYMFQAEM-CQSZACIVSA-N 440.319 2.716 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c(Cl)c1 38753861 IWNXBTJYPNEXTD-UHFFFAOYSA-N 426.878 2.686 0 40 IFAB CCN(CC(=O)NCc1ccccc1OC)S(=O)(=O)c1ccc(Br)cc1 39985365 WTAXWGHWKJKDCY-UHFFFAOYSA-N 441.347 2.785 0 40 IFAB CCOC(=O)N1CCN(C(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)CC1 49401748 KBCOCKIRLJBWNH-UHFFFAOYSA-N 439.516 2.786 0 40 IFAB Cc1nc(C)n(CCNC(=O)C2(Cc3cc(-c4ccccc4F)no3)CCOCC2)n1 72393551 ZIMQIIMUTCERIR-UHFFFAOYSA-N 427.480 2.845 0 40 IFAB CCOC(=O)c1sc(NC(=O)CN2CCC(CCCN3CCOCC3)CC2)cc1C 95468472 DHGXPHCQMGSYCR-UHFFFAOYSA-N 437.606 2.996 0 40 IFAB COC(=O)c1cn(C2CCN(Cc3ccc(OC)c(OC)c3Br)CC2)nn1 95940225 FJNKZLRAHCSVHZ-UHFFFAOYSA-N 439.310 2.682 0 40 IFAB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 100398776 BSQQNFFTCNJNFQ-WMCOEFDASA-N 442.471 2.957 0 40 IFAB Cc1ccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c2c1C 100821312 GVERWGFNUSTBEU-QURGRASLSA-N 445.566 2.619 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220047305 MIMFPQLDUHMCED-UHFFFAOYSA-N 430.404 2.897 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220592133 WXDUPJFXJHVNOF-IBGZPJMESA-N 437.512 2.858 0 40 IFAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223196421 LFCDCVMZWJSJLI-HSZRJFAPSA-N 441.547 2.624 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223310240 DFXPKSSLNAFLTA-OAHLLOKOSA-N 440.949 2.694 0 40 IFAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1Cl 224263336 WAVOIYLCALDQCX-HNNXBMFYSA-N 440.949 2.861 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 225271768 BURPEGVQDVRTSX-QGZVFWFLSA-N 438.933 2.842 0 40 IFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(c2ncc(F)cn2)CC1 252508026 XAPVDXZIQAKWHV-UHFFFAOYSA-N 432.443 2.971 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257242976 IFADCJRTJRSCNB-UHFFFAOYSA-N 440.529 2.896 0 40 IFAB CCc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257279718 OHWMFPPARDJRDT-RXVVDRJESA-N 441.528 2.704 0 40 IFAB CN1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257303115 SFVCSFYAKSVEOD-YADHBBJMSA-N 448.567 2.607 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)CC1 257317858 VLMJDCFZJMAPDH-RJGXRXQPSA-N 448.560 2.824 0 40 IFAB Cc1ccc(N2CCN(CC(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)C2=O)cc1 390831002 PAANMUSOSYBPQI-NRFANRHFSA-N 441.553 2.625 0 40 IFAB Cc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccc(F)cc2)cc1 408603992 GQDRXDFMIMTKIE-UHFFFAOYSA-N 430.505 2.732 0 40 IFAB COC[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 408622476 QPKHOWAJYBPSCD-AWEZNQCLSA-N 428.913 2.821 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1 408660722 CETCYTRDAJNOGZ-UHFFFAOYSA-N 427.457 2.944 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cccc2ccccc12 408713442 YVKWFKSSHFWAJA-UHFFFAOYSA-N 437.521 2.879 0 40 IFAB Cc1cccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 409408948 FHUPNNINMJBUIR-UHFFFAOYSA-N 449.960 2.568 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 586808864 DUANDEYWBHRQLD-UHFFFAOYSA-N 425.514 2.693 0 40 IFAB O=C1NCCOCCOc2ccc(C(=O)NCc3ccccn3)cc2Cc2cccc1c2 643572751 HIGGKCKPOZVKPT-UHFFFAOYSA-N 431.492 2.741 0 40 IFAB C[C@H](c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1)n1ccc2ccccc2c1=O 685286163 FSNKHLWNIUSFPB-ZLOXQWCVSA-N 429.436 2.715 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1367529 DBLFSSGSSZPOLR-UHFFFAOYSA-N 436.599 2.988 0 40 IFAB CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCOC)CC(=O)N21 2111949 WIVWELDCWZJQFR-RDPSFJRHSA-N 433.508 2.898 0 40 IFAB biogenic CNC(=O)NC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F 3495893 VBHHGNGXWJOSRY-UHFFFAOYSA-N 438.843 2.865 0 40 IFAB CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c23)C1 8968772 FEEPHMIJCOVPOU-CQSZACIVSA-N 431.489 2.567 0 40 IFAB O=S(=O)(Nc1nc2ccccc2nc1NCCN1CCOCC1)c1cccc(Cl)c1 9015687 IFBJQDOMQYFLSA-UHFFFAOYSA-N 447.948 2.828 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2nn(CC)c(=O)c3ccccc23)c1 9499561 QBAKNZALCVOIFS-UHFFFAOYSA-N 428.514 2.699 0 40 IFAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 9585218 HZSIPVVPVXCCFS-UXBLZVDNSA-N 444.553 2.867 0 40 IFAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCN1C(=O)c2ccccc2C1=O 9592745 GWXWGNMDUXVENB-QGZVFWFLSA-N 446.912 2.988 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccc(F)cc2)n1 9604748 GMFKMWXHGVNNDB-UHFFFAOYSA-N 445.476 2.552 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1Cl 9674547 BTZKWAAEEVMIAT-IRXDYDNUSA-N 448.266 2.934 0 40 IFAB CN(C)CCn1c2c(c(SCC(=O)Nc3nc4ccccc4s3)nc1=O)CCC2 9745372 NGHLXRBYBOLTJX-UHFFFAOYSA-N 429.571 2.634 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 9883564 NLZCIPNEVYZNAS-UHFFFAOYSA-N 444.451 2.941 0 40 IFAB Cc1ccsc1CN(C)C(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086641 GNYJCGZSMTVBHH-QHCPKHFHSA-N 441.553 2.589 0 40 IFAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccccc3Cn3ccnc3)CC2)n1 12142965 FERKXCVBNVHWJG-UHFFFAOYSA-N 446.555 2.886 0 40 IFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12525709 ANGZOJZMRUHPFP-UHFFFAOYSA-N 430.917 2.877 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 12804912 VKWAIRXJRQCDMP-ORAYPTAESA-N 437.452 2.514 0 40 IFAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 12818801 BOKIXSYKIGDNIF-LBPRGKRZSA-N 442.925 2.552 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(F)c2)c1 13098874 XZLZCDWBWZACHH-UHFFFAOYSA-N 435.521 2.945 0 40 IFAB COc1ccc([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 13102731 CZXTWSJAXQSLDH-FPOVZHCZSA-N 441.553 2.688 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 14245635 LDIOZBOCTWOVPJ-KRWDZBQOSA-N 430.501 2.569 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)c(Cl)c1 15047687 GRFMQMVNPNHUSK-LJQANCHMSA-N 433.867 2.544 0 40 IFAB Cc1cc(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c(C)n1C1CC1 16695212 FHZVWOGBGKWFCT-LJQANCHMSA-N 428.510 2.941 0 40 IFAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCCO3)C1 19020853 OMIWOEQSZGZDNP-UTKZUKDTSA-N 429.542 2.963 0 40 IFAB CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 19116968 GIGNYQOLKCZXFV-GDBMZVCRSA-N 425.455 2.923 0 40 IFAB O=C(COc1ccc2c(c1)OCO2)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19344048 XPUDNQXRTHGEAI-UHFFFAOYSA-N 449.492 2.993 0 40 IFAB O=C(c1ccc2c(c1)OCCO2)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19345485 DOKWGDURZMMIHP-UHFFFAOYSA-N 438.509 2.986 0 40 IFAB CCN(CC)CC(=O)N1CCC(c2nc(O)c3c(n2)CN(Cc2ccccc2)CC3)CC1 19526320 GTLFBMCCGZNWJW-UHFFFAOYSA-N 437.588 2.788 0 40 IFAB Cc1cc(NC(=O)c2cccn(CC(=O)Nc3nc4c(s3)C[C@H](C)CC4)c2=O)no1 19750593 QMYMIDNCUOKYTO-LLVKDONJSA-N 427.486 2.617 0 40 IFAB CCOC(=O)c1ccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)cc1 19798447 OTOFEJCTKSBMES-IBGZPJMESA-N 427.892 2.914 0 40 IFAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1OC 20728960 QPUIZUIZPSPLQY-INIZCTEOSA-N 428.485 2.751 0 40 IFAB COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 23701315 UDMICNYHFWZHQZ-FATZIPQQSA-N 446.500 2.567 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3ccc(CN4CCCC4=O)cc3)CC2)cc1F 25139602 FSXKPFRUMINBMA-UHFFFAOYSA-N 425.504 2.915 0 40 IFAB CNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 28675907 VKXQUKARNXDLNB-UHFFFAOYSA-N 428.539 2.543 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1OC 31057886 DCZFSGXTZZTRQH-UHFFFAOYSA-N 432.542 2.729 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)cc1 32755321 KSMXVMKUYWIJNX-QFIPXVFZSA-N 426.538 2.842 0 40 IFAB CCc1c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cnn1-c1ccc(OC)nn1 32763157 QKGXAMXUQVUVTB-KRWDZBQOSA-N 426.546 2.862 0 40 IFAB C[C@@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C 32940000 KRNGJMMSVZBNAO-IOASZLSFSA-N 425.323 2.806 0 40 IFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 48235181 SEKBMIBQVGZONJ-ROUUACIJSA-N 433.574 2.856 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O 49008956 GGKITEPASJYPND-UHFFFAOYSA-N 441.513 2.741 0 40 IFAB COc1cc(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)cc(Br)c1O 95413019 SSVSZOMXYXYGIV-UHFFFAOYSA-N 435.253 2.872 0 40 IFAB C[C@H](NC(=O)[C@H]1C[C@@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 100180923 VJXFDZRSUUSAGA-KGVMGFNASA-N 439.556 2.849 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1Cl 101387283 BTZKWAAEEVMIAT-DLBZAZTESA-N 448.266 2.934 0 40 IFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](C(C)=O)N2c4ccc(C)cc4C=C[C@H]32)cc1 103458471 QFOXYBRIWZFRPC-LUKWVAJMSA-N 430.460 2.899 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c(C)c1 220179858 RBVOYJHJPXKMDW-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222980863 YTDYDCSIIKJHNY-NRFANRHFSA-N 445.585 2.623 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1CCN1CCOCC1 223127027 GDIBRPJGEYRSPR-FCHUYYIVSA-N 434.569 2.572 0 40 IFAB Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c1I 223564929 VUHWRNQFMBTZNQ-GJZGRUSLSA-N 442.326 2.596 0 40 IFAB CCN(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 224456813 SMVMRABKXKXNAT-UHFFFAOYSA-N 443.569 2.543 0 40 IFAB O=C(Cc1ccc2c(c1)OCCCO2)N1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257323802 WLWGAQJRFAMMKX-NRFANRHFSA-N 447.495 2.919 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN(C)c1ccccc1 260815440 XSOPBXUKJJCVTK-NRFANRHFSA-N 433.574 2.883 0 40 IFAB COCCN1CCC[C@]2(CN(C(=O)c3csc(C)n3)C[C@H]2c2ccnn2C(C)C)C1=O 306143070 XSRPIVLKFHBYKL-HTAPYJJXSA-N 445.589 2.724 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 408659378 JKKFXIWNUPKDSG-BMEPFDOTSA-N 438.402 2.608 0 40 IFAB Cc1ccc(-c2nnc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408714713 WDBGSTYJYNKEFQ-UHFFFAOYSA-N 428.514 2.633 0 40 IFAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C1=O 409215626 CMOXFDSVJLSNDE-ZSOIEALJSA-N 426.878 2.708 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(C)c4)C3)CC2)cc1 585288135 XGZBJKFTNSFUDE-SANMLTNESA-N 440.584 2.777 0 40 IFAB CCc1nnc(-c2cccc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)c2)o1 1634522995 OUZUVICXNZIKCE-IEBWSBKVSA-N 438.459 2.581 0 40 IFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(OC)c(Cl)c2)nn1 1888890599 FQUVOMSSSOULNM-YIONKMFJSA-N 426.926 2.643 0 40 IFAB COCCn1cnc2c(N3C[C@H]4CN(c5nc(C(F)(F)F)cs5)C[C@@H]4C3)ncnc21 1888910630 IFBXZJGXEGIIBT-RYUDHWBXSA-N 439.467 2.521 0 40 IFAB COc1cccc(S(=O)(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)c1 1888987340 RXXIXXRGEYQXFA-UHFFFAOYSA-N 427.526 2.814 0 40 IFAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc(NS(=O)(=O)N(C)C)nc3N2)cc1 2399865 XODATGTZVGDIOF-ROUUACIJSA-N 428.518 2.651 0 40 IFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C)on3)c2)cc1 2635519 PTJLNRUDBWMPDY-UHFFFAOYSA-N 445.453 2.588 0 40 IFAB O=C(OCC(=O)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 2646606 RDLRADMLIZECGB-UHFFFAOYSA-N 436.917 2.598 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 3244444 RXEWNYZQGWEPRF-YTQUADARSA-N 425.547 2.821 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccccc2Br)cc1 8748926 XVBGMQLBINQLET-ZDUSSCGKSA-N 441.347 2.956 0 40 IFAB Cc1c(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 9184015 YDIQUJHZWYEIBS-CQSZACIVSA-N 443.521 2.914 0 40 IFAB COc1ccc(-c2cc(-c3nnc(SCC(=O)NC4CCCCC4)n3N)n[nH]2)cc1 9451349 CNMZEAXEALYANO-UHFFFAOYSA-N 427.534 2.599 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 9665319 MHNVKMIZAGVSKE-MRXNPFEDSA-N 430.526 2.852 0 40 IFAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)NCc1ccc2c(c1)OCO2 9762022 UNCVZXBPWOKDOA-UHFFFAOYSA-N 439.902 2.589 0 40 IFAB COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 9860650 WNHFMEKWPYEYQQ-OALUTQOASA-N 445.566 2.614 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 10833740 CZSAWLYGOSMZDX-AWEZNQCLSA-N 426.922 2.878 0 40 IFAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 10894984 HQEOJTIPJMKQOY-LJQANCHMSA-N 428.510 2.738 0 40 IFAB C[C@H]1C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 12633705 KSCVZXBKXLPUNV-HNNXBMFYSA-N 444.894 2.985 0 40 IFAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 12772877 KSELXSPEUUZGCP-UHFFFAOYSA-N 429.542 2.792 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 12849536 QNFILADZSOLALJ-UHFFFAOYSA-N 444.431 2.536 0 40 IFAB COc1cc(C(=O)OCC(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1 13063300 IMJLJKYZXGQPAW-UHFFFAOYSA-N 432.448 2.781 0 40 IFAB O=C(Cn1cnc2sccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 13115960 ZJJMCWSRRSRDFP-UHFFFAOYSA-N 446.554 2.661 0 40 IFAB Cc1ccc(Sc2ccc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cc2)cc1C 15980705 JQLOLYVARVCEFX-UHFFFAOYSA-N 449.536 2.840 0 40 IFAB Cc1cc(N2CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)nc(C(C)C)n1 16103468 QPFDSXZQRCVPKH-UHFFFAOYSA-N 446.511 2.713 0 40 IFAB NC(=O)C1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)CC1 19335590 HRTKDPUIXSKKNA-UHFFFAOYSA-N 434.496 2.613 0 40 IFAB COCCn1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(C2CCCCC2)CC1 19594013 SZSUQONIZIMHBK-HSZRJFAPSA-N 435.576 2.907 0 40 IFAB COCCCN1C(=O)/C(=C/c2cnn(C)c2)N=C1SCC(=O)Nc1cc(C)ccc1C 19634605 IOBUDLKJLSXXAR-ODLFYWEKSA-N 441.557 2.984 0 40 IFAB CC(C)(C)C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699447 OAOABDWJPKHMGF-UHFFFAOYSA-N 426.561 2.610 0 40 IFAB CCc1nnc(NC(=O)CCC(=O)N2CCN(COc3ccc(Cl)cc3)CC2)s1 20440054 MXHAWZRZGNELIU-UHFFFAOYSA-N 437.953 2.653 0 40 IFAB O=C1C[C@H](C(F)(F)F)N(C(=O)Cn2nc(-c3cccs3)oc2=O)c2ccccc2N1 21523482 GJVBDECHKBXOJA-CYBMUJFWSA-N 438.387 2.871 0 40 IFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 22754303 FYGFGXHLPCBARQ-UHFFFAOYSA-N 438.572 2.888 0 40 IFAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCN2CCOCC2)cc1Cl 25854926 LUGFIWVLTPOKKX-UHFFFAOYSA-N 441.915 2.899 0 40 IFAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCCC2=CCCCC2)c1 27389927 LGYLGBUWYTWVGG-UHFFFAOYSA-N 445.379 2.994 0 40 IFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 32810426 AEQGDJJFFYDSMH-UHFFFAOYSA-N 441.553 2.783 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(C)c(CC(N)=O)s2)c1 32871368 HPKXUBBJYNTEAT-HNNXBMFYSA-N 435.571 2.952 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)NC1CCCCCC1 35355302 IFYMOHYDLIAYLQ-UHFFFAOYSA-N 429.586 2.985 0 40 IFAB COc1ccccc1-c1noc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)n1 38487313 VUSJNQQJAHHZIE-UHFFFAOYSA-N 430.420 2.911 0 40 IFAB CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CCN(C2CC2)CC1 58018936 XENVJRQVJDYRFF-OAQYLSRUSA-N 426.586 2.829 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC(n3c(C)ccc3C)CC2)c1 58159722 SKKBGOKTBRSWLS-UHFFFAOYSA-N 434.514 2.704 0 40 IFAB C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)N1[C@H](C)CC[C@H]1C 69569931 KCGHMMOJZYXEQA-XDSYKVGPSA-N 445.541 2.829 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 95351136 GKXZMEUKYYXBAV-UHFFFAOYSA-N 428.964 2.829 0 40 IFAB Cc1c(C(=O)OC[C@@H](COc2ccc(Cl)cc2)OC(=O)c2cnn(C)c2C)cnn1C 95979709 PSTMUKWNYNDUNJ-QGZVFWFLSA-N 446.891 2.885 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@H](O4)[C@@H](C(=O)NC4CCCC4)[C@@H]5C3=O)nc2c1 101238383 IYFIFVRJEYGKAR-VXCZRNDOSA-N 425.510 2.650 0 40 IFAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101697857 HVOCIDAILGPVJB-OTVXOJSOSA-N 448.317 2.680 0 40 IFAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 107858446 YKXBPVVIRNLIGZ-UHFFFAOYSA-N 439.497 2.657 0 40 IFAB CCOC(=O)[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218179035 PDXCEXPRYLTROM-HBFSDRIKSA-N 437.901 2.517 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222624107 FXFVPQXWCDMOGY-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1 223579305 QYXLNAAIGJAPGS-UHFFFAOYSA-N 428.514 2.633 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 223681498 VYGHQCVGPIEKFU-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 224564857 NANPHJHZDQYTIH-UHFFFAOYSA-N 441.553 2.505 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CNC(=S)Nc2nccc(-c3cccs3)n2)cc1 225220382 CAKGOORTECVCIY-UHFFFAOYSA-N 433.584 2.942 0 40 IFAB COc1cccc(OCCc2cc([C@H]3CN(C(=O)c4cnc(C)nc4C)CCO3)n[nH]2)c1 257205638 AZZHAZCOIFMBEQ-JOCHJYFZSA-N 437.500 2.660 0 40 IFAB Cn1nc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)ccc1=O 257309665 UBWQUASHPNUJSK-SQNIBIBYSA-N 448.445 2.814 0 40 IFAB Cc1ncsc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(N)=O)C1 257313681 UTPWTCNGIXDKGV-WFASDCNBSA-N 438.347 2.999 0 40 IFAB O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(CCN(Cc2ccco2)CC1)C3 306131865 KRMXDIJGVPAFJH-UHFFFAOYSA-N 444.535 2.873 0 40 IFAB COCCCNC(=O)CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1 575616906 SNZPDYJTJBRSMS-UHFFFAOYSA-N 426.498 3.347 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)N2Cc3ccnn3[C@H](CC(=O)NCc3ccco3)C2)c1 585095832 OGKGQNPDGXXHJB-GOSISDBHSA-N 428.514 2.545 0 40 IFAB COc1ccc([C@H]2CN(C(=O)Nc3cc4oc(=O)n(C)c4cc3F)CCO2)cc1OC 1662562174 IKAGZAFVNJNAFG-LJQANCHMSA-N 431.420 2.893 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N3CCC(N(C)c4ncc(Cl)cn4)CC3)CC2=O)cc1 1848633277 ODVPMKIOCKEUAJ-OAHLLOKOSA-N 443.935 2.619 0 40 IFAB CC(=O)O[C@H](NC(=O)N[C@@H](OC(C)=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1590010 QNIZOVDYAFMFEF-WDSKDSINSA-N 438.906 2.804 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 2712515 LDBQNVRTTZRJBD-UHFFFAOYSA-N 449.876 2.590 0 40 IFAB COc1ccc(C(=O)N2CCCN(C(=O)c3ccc(OC)cc3OC)CC2)c(OC)c1 2757126 OSWKQFZOXATNFG-UHFFFAOYSA-N 428.485 2.709 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N1CCOCC1 3566285 LXJGMPTWXHCYIF-VMPITWQZSA-N 434.489 2.816 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 6146977 POQLEICZIHUQRR-UHFFFAOYSA-N 449.485 2.526 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n1 8163190 KDWQFKJERLNSOR-UHFFFAOYSA-N 426.521 2.834 0 40 IFAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1cnc2c(cnn2C)c1=O 8848477 JUJMTSUZJRWEGN-UHFFFAOYSA-N 437.481 2.674 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1CCc1ccccc1 9348058 CJPJSMBXTYOCDO-CMCWBKRRSA-N 435.911 2.809 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCC(C(=O)OCC)CC1 9428420 GZVZYOMJIFBCAG-UHFFFAOYSA-N 445.516 2.957 0 40 IFAB Cc1c(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c(=O)n(-c2ccccc2)n1C 9592973 OBMARVXIJBBQGZ-OAHLLOKOSA-N 426.546 2.922 0 40 IFAB O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9866585 OPIJFIYCVWSSGO-ZDUSSCGKSA-N 427.573 2.849 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)NCCCCCc1nc(-c2cccs2)no1 9930184 MJYCEVMWECYCQR-UHFFFAOYSA-N 442.497 2.786 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)s1 12188643 ZQIHUDYQCUTYKV-UHFFFAOYSA-N 432.571 2.815 0 40 IFAB O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 12541718 HAGWWWOCLMSYDS-UHFFFAOYSA-N 443.447 2.777 0 40 IFAB C[C@H](SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1nc2ccccc2[nH]1 12556695 CDEQURQUDNQCMU-INIZCTEOSA-N 444.582 2.890 0 40 IFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CSCC(=O)Nc1ccc(OC)cc1 12971886 LWOJCKZXTUFPMP-UHFFFAOYSA-N 445.541 2.863 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@@H]1c1ccc(OC)cc1 13039342 PHKWQCLAICURPS-UNMCSNQZSA-N 434.500 2.999 0 40 IFAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1 13696833 YCRCUFCCLVXZDW-NRFANRHFSA-N 430.526 2.748 0 40 IFAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC(=O)Cc1ccccc1 14084359 XINXURURZVXLGH-UHFFFAOYSA-N 449.429 2.746 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1 15589025 FQJRDGJSIRXIQS-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CN(C(=O)[C@H](Cc1ccccc1)N1CCCC1)CC2 19710502 PNLVLRZZDFKPGQ-QHCPKHFHSA-N 448.615 2.577 0 40 IFAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)Cn3c(C)cc(C)nc3=O)c2)O[C@@H](C(C)C)C1 19712238 KCRBIKMBAJBOIM-VSKRKVRLSA-N 440.544 2.880 0 40 IFAB O=c1oc2cc(OC[C@H](O)CN3CCN(Cc4ccccc4)CC3)ccc2c2c1CCC2 19912351 XARXGOHNADHJFA-HXUWFJFHSA-N 434.536 2.839 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 20044435 MGQQJRPMIWLNIV-MRXNPFEDSA-N 442.541 2.660 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 21891980 SSLWQVXDTQNTFI-AATRIKPKSA-N 429.425 2.922 0 40 IFAB C[C@@H]1CN(CCNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@@H](C)O1 22612514 BUDNHVUYODFQOG-BDZHWRPJSA-N 443.569 2.938 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697710 LWSIKPPACCPOOL-NRFANRHFSA-N 447.507 2.511 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCc1cccs1 23483620 NNVIHQRWVUFTRE-IBGZPJMESA-N 438.571 2.571 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 24757022 KGGKCZPEWVCSCI-UHFFFAOYSA-N 448.570 2.914 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 25413175 AIQCLBAMLXOMSL-RHSMWYFYSA-N 448.416 2.995 0 40 IFAB COc1ccc(C(=O)C2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC2)cc1 26131373 RFFIADRJNMBTAF-ZJOUEHCJSA-N 445.585 2.842 0 40 IFAB CCOC(=O)c1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 27300170 VVMJCQUCCPETMR-UHFFFAOYSA-N 443.463 2.519 0 40 IFAB O=C(CCC1CCCC1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 29997638 UTUWCTQOWZVHOZ-UHFFFAOYSA-N 427.597 2.691 0 40 IFAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)cc1 32724312 WXVQYNJOOQSKKF-ZDUSSCGKSA-N 432.550 2.697 0 40 IFAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)CC1 32771462 PLPAQWCNNMXQBN-UHFFFAOYSA-N 429.391 2.703 0 40 IFAB Cn1cc(C(=O)N2CCOCC2)c(O)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C 36357857 WGBLYEITZFFOOI-UHFFFAOYSA-N 449.467 2.602 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 39476822 PTZGAFGIDGHFJV-CYBMUJFWSA-N 426.425 2.541 0 40 IFAB Cc1ccc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)nc1 57806622 HABWEKRKOJHFOE-CYBMUJFWSA-N 434.529 2.776 0 40 IFAB O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 58008843 JLZGSXIQXSGTDS-UHFFFAOYSA-N 431.330 2.832 0 40 IFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 58180311 CRECJWGLGOPOHD-UHFFFAOYSA-N 446.554 2.649 0 40 IFAB COc1cc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc(OC)c1 67300959 MSKJGLPFFJXQFV-UHFFFAOYSA-N 441.459 2.549 0 40 IFAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC)c(OC)c4)c3)c2)n1 71768522 SVKIITVCXIOYRS-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCCN2Cc1ccc(F)cc1 72373780 JQSCWMQSHWSVGB-IBGZPJMESA-N 433.553 2.820 0 40 IFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(C)(C)CN3CCN(C)CC3)CC2)C1 72394408 NGNMCZRVJSKFPW-UHFFFAOYSA-N 442.648 2.844 0 40 IFAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 89291991 LDGYPSOXZJSWNT-UHFFFAOYSA-N 443.931 2.877 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4[nH]ncc4c3)CC2)cc1OC 89464695 WFZGGMPPABSMJN-UHFFFAOYSA-N 444.513 2.620 0 40 IFAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(-c2ccccc2)nc1 95381655 XZDDQXMEMXTRCN-UHFFFAOYSA-N 431.496 2.691 0 40 IFAB O=C(O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Cl 106755954 IYGUODAANOVORL-DHDCSXOGSA-N 438.889 2.852 0 40 IFAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccccc1OC 139114665 WLZUNKFCSNMBFW-ZIAGYGMSSA-N 425.489 2.612 0 40 IFAB CC[C@H](C(=O)NCc1cc(OC)c(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 219084522 XIZGTSSLVQGWEH-QGZVFWFLSA-N 436.530 2.573 0 40 IFAB CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(S(C)(=O)=O)cc1 222443900 FUGXIBKQPCDMQC-GOSISDBHSA-N 438.571 2.675 0 40 IFAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)cn1c23 223096445 CTIWPHLMKVDZIB-MRXNPFEDSA-N 431.492 2.805 0 40 IFAB COc1ccccc1CN(C)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224426271 LENKDOUSGGQUNB-UHFFFAOYSA-N 448.541 2.671 0 40 IFAB O=c1[nH]c(-c2ccccc2I)nc2nc(Br)cnc12 225733782 STXPYJMRMJXSGP-UHFFFAOYSA-N 429.015 2.747 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3OCCN3CCOCC3)CCN2C)cc1 257289788 QAEGTYRHDQAKQI-QHCPKHFHSA-N 439.556 2.535 0 40 IFAB CC(=O)N1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)[C@@H](c2ccccc2)C1 257291907 QJEVBVREQHMFAR-JOCHJYFZSA-N 441.553 2.662 0 40 IFAB COc1ccc(-c2nnc3n2C2(CCN(Cc4cccnc4OC)CC2)CN(C)C3)cc1 306140496 UVAWSODVSKZPLQ-UHFFFAOYSA-N 434.544 2.794 0 40 IFAB Cc1cccc(C(=O)NCc2nn(CC(=O)Nc3ccc(C(=O)O)cc3)c(=S)n2C)c1 409154534 OXKCCMIKRZISKJ-UHFFFAOYSA-N 439.497 2.526 0 40 IFAB Cc1cccc(Oc2ncccc2NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1C 501888278 KBHWTPBYBXODFF-UHFFFAOYSA-N 434.456 2.738 0 40 IFAB COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCc4nccn4C)cc3)C[C@H]2O)cc1 585269945 QVYKWPFURRAIQN-DNQXCXABSA-N 436.556 2.685 0 40 IFAB Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3ccccc3C)CC2)C1 585287815 SKYBCOKZUNGFKZ-AREMUKBSSA-N 440.584 2.777 0 40 IFAB Cc1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)nn1-c1ccc(Cl)cc1Cl 678954467 YVIIKWVDHMWJRD-NHYWBVRUSA-N 445.372 2.887 0 40 IFAB c1cnc(N2CCC(OC[C@@H]3CCOC3)CC2)c(N2CCC(OC[C@@H]3CCOC3)CC2)n1 680962683 PUMIKNCOWFZIEL-WOJBJXKFSA-N 446.592 2.520 0 40 IFAB COCCN1C(=O)C[C@H]2[C@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)[C@@H](C)C[C@H]21 1775964479 ZWPDFMRKAKKXQI-KKBVYLPWSA-N 434.480 2.503 0 40 IFAB biogenic,in-vitro O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775968620 HKRNBBXZDQCIMR-INIZCTEOSA-N 439.493 2.923 0 40 IFAB CC(C)c1nc(CC(=O)N2CC[C@H]3C[C@@H](CN4CCC5(CC4)CC(F)C5)O[C@H]3C2)no1 2056226540 UGTYHZVYUSHVDM-WDSOQIARSA-N 434.556 2.956 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)NC1CCCC1 3433821 DTFYIOZMMQOXCE-UHFFFAOYSA-N 442.537 2.649 0 40 IFAB COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)c4cccnc4)C[C@@H]2C(=O)N3)cc1 4235935 UMWNZMZWGUOHGP-JOCHJYFZSA-N 442.475 2.676 0 40 IFAB biogenic,in-vitro Cc1nc2ncnn2c(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)c1Cc1ccccc1 4415931 MGOWEMXFPBIWCE-HXUWFJFHSA-N 434.544 2.535 0 40 IFAB COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 4787641 QNURVLBBTSMEKL-UHFFFAOYSA-N 449.598 2.506 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCc4ccccc43)cc2c1 6135336 ZBFRNFONPGQVSV-JOCHJYFZSA-N 430.512 2.876 0 40 IFAB COc1cc2cc(CN(CCCO)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1OC 6239388 BHPFOWACACUYPU-UHFFFAOYSA-N 441.553 2.804 0 40 IFAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 8749033 UHAOGKVABGFUIW-UHFFFAOYSA-N 439.512 2.787 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(-c3ccoc3C)o1)n2CC 9202457 PBUUKEVFHIDVIW-UHFFFAOYSA-N 430.490 2.950 0 40 IFAB Cc1ccc(C(=O)N(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 9206700 VLFXJVPUGITPSI-UHFFFAOYSA-N 439.493 2.810 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 9337176 IETPVQGTRNVYBR-UHFFFAOYSA-N 427.412 2.642 0 40 IFAB CCOC(=O)[C@H](CC)Sc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 9578544 MDVPDNDALFXRFR-INIZCTEOSA-N 427.530 2.839 0 40 IFAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 9633120 FOTQRMJJLXIEMB-UHFFFAOYSA-N 435.473 2.503 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 9633912 PHHUDBLZUGUZHT-VWLOTQADSA-N 435.524 2.944 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 9835876 SNRIGVKPWHHTOH-IAGOWNOFSA-N 448.266 2.934 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccccc2)cc1 9961334 DIWIPYCLHWEQEO-HOTGVXAUSA-N 434.514 2.711 0 40 IFAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 10112803 AKQYDZIFYPSUCS-UHFFFAOYSA-N 438.509 2.944 0 40 IFAB Cc1cccc(Nc2ccc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nn2)n1 11697228 FWCOIDGRNFUSIC-UHFFFAOYSA-N 442.479 2.992 0 40 IFAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2c(Cl)cccc2Cl)=C1 12155183 HGFLXDLBAVNDQF-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC 12182033 CCKNFULUWJHVDH-HRCADAONSA-N 435.475 2.767 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)n(C)c2ccccc21 12758386 ZYYBYDYDYSDDDH-UHFFFAOYSA-N 445.317 2.508 0 40 IFAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)c2)CCN1 12907845 ZSJZFFLENJHPHY-UHFFFAOYSA-N 447.516 2.631 0 40 IFAB O=C(COc1ccc2c(c1)CCC2)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13037756 ZPSYNXQBNZLXGY-FQEVSTJZSA-N 433.508 2.998 0 40 IFAB NC(=O)c1nn(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(=O)c2ccccc12 13109575 SXOBSERGAINJKW-UHFFFAOYSA-N 447.520 2.511 0 40 IFAB CC[C@@H](c1nnnn1Cc1ccco1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 13495988 PRAUIDBIGSMLSR-FQEVSTJZSA-N 436.516 2.800 0 40 IFAB COC(=O)c1cc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)ccc1OC 15554030 NFXFVSHHNUSLMY-UHFFFAOYSA-N 448.431 2.801 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(C)cc1 17102213 LAQKGFKJWVBQDK-LEWJYISDSA-N 438.503 2.663 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)cc1 17307922 MRRSDWSQYCMIMN-UHFFFAOYSA-N 444.491 2.838 0 40 IFAB NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)C1 19293345 VKPPJBOBAIKKOE-MRXNPFEDSA-N 444.919 2.685 0 40 IFAB CCNC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19528997 VXPHEJOPOVQYHC-QHCPKHFHSA-N 436.537 2.710 0 40 IFAB CO[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)C1 19592632 JOBZURFOQVPGOJ-QYZOEREBSA-N 439.512 2.835 0 40 IFAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 19899321 BPAXILQIWYBIKF-UHFFFAOYSA-N 429.586 2.652 0 40 IFAB CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929832 CDXWGVLASHWCGO-UHFFFAOYSA-N 449.548 2.502 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)CC1 20061660 GWPKDOQQZYEKIF-UHFFFAOYSA-N 436.574 2.975 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCCNC(=O)c3ccco3)cc2)C1 21339061 OTEUAOGLTSPCTK-MRXNPFEDSA-N 433.530 2.849 0 40 IFAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 23183788 GDCFYBWCLNAYOD-CJNGLKHVSA-N 433.302 2.866 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 23486610 UGLAYKNEGPUADV-UHFFFAOYSA-N 449.551 2.920 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(Cc2cccs2)CC1 23819450 FCCJZQJGLUHTEU-UHFFFAOYSA-N 447.626 2.640 0 40 IFAB CS(=O)(=O)NCCc1ccc(-c2csc(CC(=O)NCc3ccccc3)n2)cc1 25001260 RDBLFEATDFFRHD-UHFFFAOYSA-N 429.567 2.761 0 40 IFAB CC(=O)N1CCc2cc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)ccc21 25009629 IPVXUKHCOVZQKG-UHFFFAOYSA-N 437.525 2.665 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(Cc3ccc(C(C)C)cc3)c(=O)n2N)c1 27546549 YONRYMZANGVRGX-UHFFFAOYSA-N 439.541 2.806 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 28198620 HYPJQTMAZHOMBV-LJQANCHMSA-N 430.570 2.778 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 33691610 GPBXAWRBIODKCE-UHFFFAOYSA-N 428.510 2.697 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4ccc(F)cc4s3)c2)CC1 36275307 SDCYUOGTAHLEFK-UHFFFAOYSA-N 434.518 2.624 0 40 IFAB COCc1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)s1 40267422 YDIQKDXORNALFF-NRFANRHFSA-N 443.529 2.648 0 40 IFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 44903251 URDCAVQAYBAKQY-OAQYLSRUSA-N 432.542 2.694 0 40 IFAB COc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)cc1 49002810 XESHHHWTQQLUQR-UHFFFAOYSA-N 430.420 2.911 0 40 IFAB COC(=O)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(N3CCN(C)CC3)nc2c1 49006441 QQRXHFZHRNMJGI-UHFFFAOYSA-N 430.867 2.717 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 59427861 OWLMNFBJOSFNPG-CNSVBDKNSA-N 434.517 2.812 0 40 IFAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3c(C)[nH]c(C(C)=O)c3C)CC1)O2 72393688 ROCQHQBKQIVGPK-UHFFFAOYSA-N 425.485 2.640 0 40 IFAB C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 79069344 IECTXGNLHOSSOT-IFXJQAMLSA-N 434.489 2.992 0 40 IFAB COc1ccc2nnc(CCC(=O)NCCn3ccc4ccc(Br)cc43)n2n1 79482616 WANNURTXXLVEOX-UHFFFAOYSA-N 443.305 2.599 0 40 IFAB CC(C)CCN1C[C@@]23CN(C(=O)Nc4ccc(Cl)cc4)C[C@@H](C[C@@H]2S1(=O)=O)O3 96264060 KAJMCUARJKYKKC-AOIWGVFYSA-N 427.954 2.775 0 40 IFAB Cc1cc(C)cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC3CCCC3)[C@@H]4C2=O)c1 100442943 HDJFCOMZLLMTGQ-MDJDRZDXSA-N 438.524 2.580 0 40 IFAB NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(Cc3ccccc3)C(=O)c3ccccc32)cc1 101279573 ZBNAPTLRTBIWDU-STZFKDTASA-N 433.489 2.970 0 40 IFAB CC(C)c1ccccc1N(CC(=O)NCc1nc(-c2ccccc2)no1)S(C)(=O)=O 219146076 IUEPISWQTKPHQP-UHFFFAOYSA-N 428.514 2.942 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 223712667 SKFUOMXAVNMDTC-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 224968353 TZTMDMCGOGVHPJ-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB COc1cc(F)ccc1-c1cnc(N(C)C)nc1[C@@H]1CCCN(C(=O)Cn2cccn2)C1 257211792 CAKPRPZHMPACIL-MRXNPFEDSA-N 438.507 2.960 0 40 IFAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 257235109 GWLWGMZXELGDNM-OAQYLSRUSA-N 435.572 2.895 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 257260809 LELSINYGBOXUFM-MRXNPFEDSA-N 448.574 2.877 0 40 IFAB O=C(NCCO)[C@]1(Cc2ccccc2-c2ccccc2)CCN(c2ncnc3[nH]cnc23)C1 257314503 UXGPEWIPGJZVLF-VWLOTQADSA-N 442.523 2.568 0 40 IFAB O=C(Cc1ccccc1)N[C@@H]1CCS(=O)(=O)[C@H]2CN(Cc3ccc(Cl)s3)C[C@H]12 306125254 CKQLWWCUWNDPJQ-KURKYZTESA-N 439.002 2.748 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCCn1ccnc1 408593760 NHJRDJDYJIHGAS-UHFFFAOYSA-N 426.542 2.501 0 40 IFAB COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3CN(CC(C)C)C[C@@H]34)oc12 585106057 ICWKJCLUZJDVRG-MSOLQXFVSA-N 425.529 2.750 0 40 IFAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@H](Cc2ccccc2-c2cccc(C)c2)C1=O 585169053 XPVKATKVJXDIHB-HSZRJFAPSA-N 444.535 2.521 0 40 IFAB O=C(NC1CC1)[C@H]1C[C@@H](NCc2cccc(O)c2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241878 ZFGJFXGCZBAAPL-KKSHJYNMSA-N 432.524 2.684 0 40 IFAB Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 624515 JFKPYUBHTOUKDP-UHFFFAOYSA-N 437.525 2.685 0 40 IFAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(Br)cc1 1064804 NHVZXZZUXMPHEW-OCCSQVGLSA-N 432.343 2.745 0 40 IFAB biogenic CC(C)N(C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(C)C 3275740 AJIFBYAIWZAOLW-UHFFFAOYSA-N 429.494 2.866 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)n1 3368855 RXZVKUJQHSHZFZ-UHFFFAOYSA-N 446.467 2.625 0 40 IFAB CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3530273 MYQZCEXIMJWOBA-KRWDZBQOSA-N 444.553 2.751 0 40 IFAB COCCNC(=O)NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 8886850 BDLWWTCIAOLVEV-HOCLYGCPSA-N 432.550 2.656 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)OCCNS(=O)(=O)c3ccc(C)cc3)cc2C1=O 9126607 AIHYIGPEZQMZFT-UHFFFAOYSA-N 444.509 2.526 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9283829 FGNBBPGOAYSFBS-CQSZACIVSA-N 440.616 2.974 0 40 IFAB COc1ccc(C[C@H](C)NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1OC 9409624 QULWRUUHEYWLQX-NSHDSACASA-N 440.905 2.712 0 40 IFAB O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9469572 LPJNVXBSZQDMNZ-UHFFFAOYSA-N 435.590 2.760 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 9492673 MWNSXLHRSXVIDN-INIZCTEOSA-N 446.554 2.573 0 40 IFAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1C(=O)NC1CC1 9501065 RNNOXGJXCOFXCR-UHFFFAOYSA-N 436.512 2.574 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1n[nH]c(N)n1)CC2 9607301 NSBDUUYWAJNHLF-LJQANCHMSA-N 425.514 2.671 0 40 IFAB COCCn1cc(C(=O)NCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661570 SQXQXMWWZQTKHP-UHFFFAOYSA-N 432.480 2.724 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 9674630 DBYMQIRMXQXHGT-QZTJIDSGSA-N 427.848 2.671 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)CC5CCCCC5)CC4)ncnc32)cc1 9850068 SGXDTNNDEXXVDF-UHFFFAOYSA-N 435.532 2.838 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCC3CCCCC3)CC1)NC2=O 12086544 DNOBABRNGLWZRU-BXKMTCNYSA-N 426.561 2.944 0 40 IFAB COc1cc(C(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cc(OC)c1OC 12222558 IHRPUCFRINXBAZ-UHFFFAOYSA-N 425.485 2.729 0 40 IFAB O=C(CSc1nnnn1-c1cccnc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 12376474 REDMETWXUUWBMU-UHFFFAOYSA-N 445.508 2.718 0 40 IFAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 12592405 SHGQZVIGUSUHHP-UHFFFAOYSA-N 440.569 2.727 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 12808749 XAXBFFZWEREBBZ-UHFFFAOYSA-N 440.525 2.840 0 40 IFAB CC[C@@H](c1nn(CN2CCc3ccccc3C2)c(=S)n1CCN1CCOCC1)N(C)C 12897563 RYOFMDZERJLQMB-NRFANRHFSA-N 444.649 2.775 0 40 IFAB CCCCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCCc3ccccc31)c(=O)n2CCC 13040923 MFPGGZDJKPDMDW-LJQANCHMSA-N 437.544 2.764 0 40 IFAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(N(C)C)c1 13070707 YTNWZADUBMWBDC-UHFFFAOYSA-N 447.557 2.813 0 40 IFAB COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)c1 13572654 WMDKYZVUBVYBFR-UNOMPAQXSA-N 442.493 2.805 0 40 IFAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 14161170 GCNOHPDPBZYRGZ-RDTXWAMCSA-N 444.582 2.958 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(-c3cccs3)on2)cc1 14766029 LSVDZSWHDMQDSK-LBPRGKRZSA-N 449.510 2.772 0 40 IFAB COc1cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc(OC)c1OCC(N)=O 15513620 OTEUSQWMASRWRA-ZDUSSCGKSA-N 448.545 2.509 0 40 IFAB Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 19288994 PQFYKWVQORIQDX-UHFFFAOYSA-N 433.512 2.648 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 19448705 LQRXMYZTBIHZDA-GJZUVCINSA-N 448.567 2.703 0 40 IFAB C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCN(CC(=O)NC2CC2)CC1 22912568 OKXGEDLHIZMZOB-HNNXBMFYSA-N 437.569 2.609 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CCc3ccccc3C2)c1 27339336 LJGPCTGORUSVOE-UHFFFAOYSA-N 445.585 2.974 0 40 IFAB O=C(c1cc(F)ccc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29304975 ZJJUTSHLHBLYOJ-UHFFFAOYSA-N 445.292 2.554 0 40 IFAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCc1cc(=O)n(C)c(=O)n1C 32901230 HWQYMJUKQPIQJG-UHFFFAOYSA-N 439.415 2.892 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1 40042819 KSGQPDBPVHNBTJ-HNNXBMFYSA-N 436.472 2.694 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2CN1C(=O)NC2(CCCCCCC2)C1=O 40071354 HPFUPACFUQGXII-UHFFFAOYSA-N 448.589 2.682 0 40 IFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40149698 MAFUZSHVZRATHQ-HOTGVXAUSA-N 444.340 2.871 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccccc4)nn3c2=O)cc1 49001630 DMDKJWFPVIMQNL-UHFFFAOYSA-N 449.492 2.858 0 40 IFAB COCCn1nnnc1CN(Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 57615831 DDQWVHWWEZRCOJ-UHFFFAOYSA-N 432.528 2.980 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3CCc3ccccc3)cc2c1 57643136 WCSAFFQPAYSGKA-UHFFFAOYSA-N 446.555 2.759 0 40 IFAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC1 72394981 KWKBUERNTLKUIP-PKTZIBPZSA-N 435.568 2.865 0 40 IFAB CCOC(=O)C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1cccc(OC)c1 84792602 QXWPJSNMZPXGSU-NTLWEQJWSA-N 449.573 2.532 0 40 IFAB COc1ccccc1N(CCCC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 113967710 SFEXRRAINBVXIF-UHFFFAOYSA-N 431.558 2.590 0 40 IFAB C[C@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccccc1F)S(C)(=O)=O 220324001 RCUJTSXFRNFCLU-GFCCVEGCSA-N 438.506 2.750 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC[C@H](C)c1ccccc1 225136274 FRKDGJMSDBLFDT-SFHVURJKSA-N 446.569 2.569 0 40 IFAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 257235108 GWLWGMZXELGDNM-NRFANRHFSA-N 435.572 2.895 0 40 IFAB O=C(c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)CCc2ccncc2)C1)N1CCCCCC1 257242739 IDXZVWKNKITKIH-IBGZPJMESA-N 445.589 2.573 0 40 IFAB O=C(CCN1Cc2ccccc2C1=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 257258821 KVRPQJUWVYIOKB-OAQYLSRUSA-N 444.495 2.561 0 40 IFAB Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc(=O)n(C)c1=O 257276225 NSWNOPHKWANWLZ-QGZVFWFLSA-N 442.903 2.684 0 40 IFAB C[C@@]12CCCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)[C@H]1CCCCN2 257308870 TYONNKZEUAFRAP-JTHBVZDNSA-N 448.633 2.796 0 40 IFAB Cc1cc(Nc2cccc([C@H]3CN(S(=O)(=O)Cc4ccc(F)cc4)CCO3)n2)nn1C 257321692 WCTVQMYERQPYNG-LJQANCHMSA-N 445.520 2.910 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652334 CGWNAIQXPWNGTG-PWDCEVBCSA-N 439.295 2.895 0 40 IFAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4C)cc3C2=O)s1 408690882 WZZFRARREHQHSK-UHFFFAOYSA-N 436.449 2.751 0 40 IFAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 409164064 BZSYMCMAGUGJLS-UHFFFAOYSA-N 439.541 2.722 0 40 IFAB O=C(NC1CCN(c2nccs2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 500737696 CBZYNJRVBIVYOR-HNNXBMFYSA-N 440.616 2.533 0 40 IFAB Cc1cccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)c1 585286839 JKYUVRPUHQAHJS-RUZDIDTESA-N 444.547 2.608 0 40 IFAB COc1ccc(CN2CC3(CCN(C(=O)c4ccc5c(c4)CC(=O)N5)CC3)CC2=O)cc1 1565555422 HUHPBNPJYMFUOR-UHFFFAOYSA-N 433.508 2.845 0 40 IFAB O=S(=O)(CCOc1ccccc1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888897378 VHNDDABPJPEIAS-HZPDHXFCSA-N 441.475 2.877 0 40 IFAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ccc5nnc(C)n5n4)CC3)n2)s1 1888926449 HYFSCYOZAKREKP-UHFFFAOYSA-N 436.545 2.646 0 40 IFAB CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)OCC)N2C1=O 2967022 GHMJTSHBYZFPHM-INIZCTEOSA-N 430.530 2.638 0 40 IFAB CC(C)N(C(=O)CO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21)c1ccccc1 5224195 NJHYYAKMLCLPQN-OSTWSGHESA-N 435.517 2.841 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)NC(=O)NC1 9128098 TUQWIBONCNAMMQ-UHFFFAOYSA-N 440.481 2.682 0 40 IFAB COc1ccc(C(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 9373454 WVQZEWZSQHBFTO-UHFFFAOYSA-N 437.539 2.900 0 40 IFAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1ccccc1 9578289 ULWZQLDWDJDCRW-UHFFFAOYSA-N 432.509 2.828 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(-c2nn[nH]n2)c1 9592707 KMJGCASMRSSBLC-UHFFFAOYSA-N 426.502 2.684 0 40 IFAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1Cc1ccco1 12532174 FDVDXLOBFVGXNU-QZTJIDSGSA-N 426.469 2.647 0 40 IFAB O=C(NCCc1cn2ccccc2n1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 12559943 XNIJNIZBHBBGEK-JOCHJYFZSA-N 438.487 2.901 0 40 IFAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 12564381 OITJBLSDJPKOEJ-FMIVXFBMSA-N 449.573 2.565 0 40 IFAB CCc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 12932072 HDQIQJXFTWDRHF-UHFFFAOYSA-N 443.569 2.706 0 40 IFAB COc1ccc([C@H]2C[C@H](c3ccc(OC)cc3)n3nc(NS(C)(=O)=O)nc3N2)cc1 13123313 DFFHLYOVNRJNQG-QZTJIDSGSA-N 429.502 2.813 0 40 IFAB COC(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)OC 13131487 MUPDZOMHVVBOJC-LJQANCHMSA-N 429.904 2.898 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(F)cccc1Cl 13149725 CSWZUDUWLQHTKG-UHFFFAOYSA-N 442.896 2.690 0 40 IFAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 13164949 IWYSFFGPXBKZGY-OLZOCXBDSA-N 445.570 2.545 0 40 IFAB O=C(c1ccccc1SCc1ccsc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14242142 HKAGEZXPMWMGTG-QGZVFWFLSA-N 436.624 2.985 0 40 IFAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1cccc(F)c1 15019743 UXSWWEOIQSPRPX-UHFFFAOYSA-N 449.533 2.651 0 40 IFAB COC(=O)CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc2c1=O 17180588 CBXLRTQUOGZLQA-UHFFFAOYSA-N 439.493 2.893 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](c2cccc(OC)c2)c2nccn2C)cc1 17522257 WEVJNDNLGXSAKU-LJQANCHMSA-N 429.498 2.673 0 40 IFAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N2CCN(c3ccccn3)CC2)n1 18542451 SZPMKPHOUMKFDZ-UHFFFAOYSA-N 444.948 2.970 0 40 IFAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3c[nH]nc3C)nc21 19698407 ZNUUUTXMPUTJPR-UHFFFAOYSA-N 448.527 2.755 0 40 IFAB Nc1nc(C2CCN(C(=O)CCc3ccccc3F)CC2)ccc1C(=O)N1CCOCC1 19766012 AQILEEJRXSUZGM-UHFFFAOYSA-N 440.519 2.614 0 40 IFAB CCNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 20801853 NREQLYFMTKNFCA-GOSISDBHSA-N 429.528 2.938 0 40 IFAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 22018076 MZMYUNWEQZIMEB-UHFFFAOYSA-N 433.449 2.670 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 22599993 IWJGGZLVYLLQHN-UHFFFAOYSA-N 431.540 2.563 0 40 IFAB O=S(=O)(c1ccccc1Br)N1CCN(CCOc2ccccc2)CC1 23763237 VEXPPLVGUHBLDN-UHFFFAOYSA-N 425.348 2.834 0 40 IFAB O=C(c1csc(-c2ccsc2)n1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 27047601 OOJTYYXMSCHUSI-UHFFFAOYSA-N 440.616 2.750 0 40 IFAB Cc1cccc(C)c1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n(N)c(=O)n1 27643471 AXARIECZVSFLIS-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB COc1cc(OC)nc(NC(=O)COC(=O)c2cc3c4ccccc4n(C)c3s2)n1 29865177 ILMMDVFWLGRLKA-UHFFFAOYSA-N 426.454 2.996 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)NC[C@H](O)CO[C@H](C)c3ccccc3)c(C)n2n1 32933039 IQWACAZENFZMTA-AEFFLSMTSA-N 443.573 2.651 0 40 IFAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2ccccc2F)CC1 57063852 JGVIGOLJEUJNFH-UHFFFAOYSA-N 440.475 2.863 0 40 IFAB CCN(CC)[C@H](CNC(=O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 58505931 WHNLKQQFOAPZBF-VQTJNVASSA-N 442.608 2.976 0 40 IFAB COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccc(NC(=O)C(C)C)cc1 59278771 VEVASABUXIEJLJ-UHFFFAOYSA-N 428.880 2.849 0 40 IFAB CCCCOc1ccc(-c2cc3c4nn(CC(=O)N5CCCC5)c(=O)n4ccn3n2)cc1 67290622 HKMBBDNSHUZIQU-UHFFFAOYSA-N 434.500 2.612 0 40 IFAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69571209 RKIITHOYQOWUAJ-UHFFFAOYSA-N 437.403 2.673 0 40 IFAB CCCCCCN(CCN1CCOCC1)c1ncnc2c1c(Br)nn2C 72312219 WSVSXPWODAHWNY-UHFFFAOYSA-N 425.375 2.845 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1ccc(OC)cc1 96521171 LKLWRJWCYCTCOY-GHMZBOCLSA-N 449.104 2.647 0 40 IFAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)cc1 102548660 IKBUZJDGSJVNQY-SUMCQTLJSA-N 434.414 2.991 0 40 IFAB NC(=O)COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)cc1 102899705 YELHAMZDHHNJDO-CVDCTZTESA-N 447.472 2.693 0 40 IFAB O=C(O)c1cccc(N2C(=O)C[C@H](N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)C2=O)c1 103022674 OXJCRRSKACWNDE-NRFANRHFSA-N 447.491 2.574 0 40 IFAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104104116 DKARJKOEVWXOJB-ULQDDVLXSA-N 448.523 2.871 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1F 135661743 LWAFJAUWIUJDHP-MRUHUIDDSA-N 426.492 2.779 0 40 IFAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C(C)=O)cc1 139108493 GRBSWAYYMRBNTN-IAGOWNOFSA-N 437.500 2.806 0 40 IFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)NCc1ccc(OC)c(OC)c1 206804431 HGIKJZOCAJMUNE-WBVHZDCISA-N 432.448 2.747 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1Cl 224064824 PASFSYIGUCHHGQ-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244339 OWSOLNXTRYLBJP-OAQYLSRUSA-N 434.558 2.906 0 40 IFAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224314650 BITFISCWWQZZTB-SFHVURJKSA-N 432.542 2.742 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)C2)cc1 225018332 XAMNEDHNPGEJEK-LJQANCHMSA-N 443.569 2.871 0 40 IFAB CCOc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccc1OC 225514145 FJSHGPZQJITRTN-SFHVURJKSA-N 432.542 2.811 0 40 IFAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc21 225674998 JGXYTQGHLIRYHQ-UHFFFAOYSA-N 443.506 2.924 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1F 225781827 YZPBGCQQEVGUKN-UHFFFAOYSA-N 437.880 2.633 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257235258 GXCBRSWMGNQLBC-HNNXBMFYSA-N 428.876 2.587 0 40 IFAB CCN(CC)S(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)C3)C1 257288146 PTARXXDLVVNVIE-SFHVURJKSA-N 449.621 2.630 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC3CCN(c4ccccc4)CC3)n(C)c2)C1 518522686 OOHCAZPWIKGETO-GOSISDBHSA-N 444.601 2.845 0 40 IFAB O=C(c1ccccc1)N1CCO[C@]2(C1)C(=O)N(CC1CCOCC1)C[C@@H]2c1ccccc1 585106665 DZZDPFZGSDMSSS-BVAGGSTKSA-N 434.536 2.950 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4cc5c(nn4)CCC5)CC3)CC2)cc1 585150586 UUDAPVBLEWQKTF-UHFFFAOYSA-N 433.556 2.733 0 40 IFAB COC(=O)Nc1ccc(NC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1198314153 IDENTTNHAFOYLX-UHFFFAOYSA-N 440.504 2.903 0 40 IFAB Cn1cc(C(=O)N2CCN(c3nc(O)c(F)c(-c4ccccc4)n3)CC2)c(C(F)F)n1 1888916677 RMLHOFDZMIJSCR-UHFFFAOYSA-N 432.406 2.622 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 2689181 NLBSLEPPARVKET-SJORKVTESA-N 429.889 2.994 0 40 IFAB CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 8308399 MNJXJHIAUKZVPT-UHFFFAOYSA-N 427.570 2.778 0 40 IFAB O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 8601323 UAPCAFPPBONTHK-IBGZPJMESA-N 446.912 2.881 0 40 IFAB COC(=O)C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1 8782166 JUNQRVKWVBKDKX-CYBMUJFWSA-N 426.288 2.969 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C(=O)O)C(C)C 8878268 VUXYGWVIHPLBTM-VLQPXKRTSA-N 446.548 2.819 0 40 IFAB biogenic COc1ccc(CCNC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N32)cc1 8918511 GSOGRAPQJPLAMV-AOMKIAJQSA-N 428.510 2.641 0 40 IFAB biogenic COC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 9127800 UQJCGSJZVBSJKM-UHFFFAOYSA-N 442.512 2.678 0 40 IFAB C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1c(F)cccc1Cl 9187474 IIRDXZCQOLILEO-HEVOHVLSSA-N 447.919 2.870 0 40 IFAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 9263257 XYYQAFOEZWSDSY-ZDUSSCGKSA-N 439.497 2.766 0 40 IFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc21 9263331 NOCPGQMSARSCHV-UHFFFAOYSA-N 425.489 2.566 0 40 IFAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(Oc5ccccc5)cc4)c(C)cn23)n(C)c1=O 9297058 HBRJZLGCBPKJAE-UHFFFAOYSA-N 443.463 2.828 0 40 IFAB O=C(NCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9303118 YPSGWGFGQRZWSP-MRXNPFEDSA-N 447.582 2.592 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 9418436 RPUDAMLERHQJSW-APWZRJJASA-N 429.542 2.923 0 40 IFAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNC(=O)c1ccco1 9509412 VVAUILDEVUUJQN-UHFFFAOYSA-N 431.489 2.672 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1C(=O)NC1CC1 9536728 ANUVXPROIRNMGU-UHFFFAOYSA-N 426.561 2.632 0 40 IFAB COc1cccc(-c2nc(CC(=O)OCC(=O)NC(=O)NCc3ccccc3)cs2)c1 9582990 JJNROQFCHVKFOL-UHFFFAOYSA-N 439.493 2.930 0 40 IFAB Cc1ccccc1CN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O 9668799 PZPIURQNHGMDFG-UHFFFAOYSA-N 426.542 2.978 0 40 IFAB O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn12)NC[C@@H]1CCCO1 9829121 CNFRIKFASXCWDO-AWEZNQCLSA-N 448.346 2.941 0 40 IFAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(c2ccc(O)cc2)CC1 9847310 DZPDKLIOCBGNPO-UHFFFAOYSA-N 431.543 2.890 0 40 IFAB CCOc1ccccc1-n1c(S[C@@H](C)C(=O)NC(=O)NC)nc2ccccc2c1=O 9966595 SBJSRKXVIMXFQK-ZDUSSCGKSA-N 426.498 2.721 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10364763 NQCYIHCKVVYPNE-AWEZNQCLSA-N 440.949 2.871 0 40 IFAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)N(C)S(=O)(=O)N2)c(C)n1 12130164 HPYVXHDRBQOIKV-GJZGRUSLSA-N 446.360 2.737 0 40 IFAB COc1cc(OC)c2cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)n(C)c2c1 12324819 JLBKTWHTVFKLAZ-UHFFFAOYSA-N 425.441 2.683 0 40 IFAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(OC)c(S(=O)(=O)N(C)C)c3)cc2c1 12750894 KKKDSRWDYBGDOD-UHFFFAOYSA-N 433.486 2.696 0 40 IFAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 13128473 ANKMKXVBFXFMTP-QGZVFWFLSA-N 443.525 2.523 0 40 IFAB O=C(CCn1cnc2c([nH]c3ccc(F)cc32)c1=O)N1CCN(c2ccccc2F)CC1 14001289 AZDHWGLVQAVUBN-UHFFFAOYSA-N 437.450 2.895 0 40 IFAB COc1ccc(O)c(C(=O)c2cc(C(=O)N3CCOCC3)c3nc4ccccc4n3c2)c1 14084247 BPEAHGZUWCFUSW-UHFFFAOYSA-N 431.448 2.905 0 40 IFAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 15927996 AWCWGQQCOHENEG-UHFFFAOYSA-N 439.331 2.604 0 40 IFAB COc1cccc(OC)c1NC(=O)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 15987559 QDAFTFDAFSPDFL-UHFFFAOYSA-N 440.847 2.898 0 40 IFAB Cc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 16694947 PHFNYGQNLKRDTG-UHFFFAOYSA-N 444.431 2.640 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(Cc4cccnc4)C3)[nH]c(=O)c2C1 19339121 LQRQWEXVYHHVOT-QGZVFWFLSA-N 435.553 2.805 0 40 IFAB Cc1c(CN2CCN(S(=O)(=O)c3c[nH]nc3-c3ccncc3)CC2)[nH]c2ccccc12 19565912 QLFCYJUKMHLMPO-UHFFFAOYSA-N 436.541 2.768 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19572125 GMCVMKGDPMPSSD-KRWDZBQOSA-N 433.512 2.505 0 40 IFAB COC(=O)C1CCN(C(=O)CN2C[C@@H](c3csnn3)[C@H](c3ccc(Cl)cc3)C2)CC1 19592472 BBWKWLNPMRARBX-ZWKOTPCHSA-N 448.976 2.786 0 40 IFAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 19741357 INMRZVVGAMIUBK-GOSISDBHSA-N 438.528 2.625 0 40 IFAB CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929834 FBTUWRSQHOFNRG-UHFFFAOYSA-N 449.548 2.502 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)n2ncnc2N1CC(=O)c1ccccc1 20674208 DDHONGXXZAWLRP-QHCPKHFHSA-N 443.507 2.703 0 40 IFAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)NCc2ccccn2)cc1 22233465 PRTLMRFLSOZOAO-UHFFFAOYSA-N 443.500 2.882 0 40 IFAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 23223057 FTTWDTOGSFPQSP-NSHDSACASA-N 428.557 2.984 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1c(Cl)cccc1Cl 24985644 DMDPKWGVWFHMSZ-ZUZCIYMTSA-N 433.313 2.694 0 40 IFAB COc1cc(OC)cc([C@@H](NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)c2nccn2C)c1 25160643 DYCCXPYWSFRCPW-JLTOFOAXSA-N 436.468 2.812 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2nc3ccccc3s2)cc1OC 29604302 IHITUWSOQPPIIE-UHFFFAOYSA-N 449.554 2.641 0 40 IFAB Cc1cc(Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)on1 32814254 PERZSQXSXHPQDW-UHFFFAOYSA-N 427.464 2.801 0 40 IFAB COCCn1c(SCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)nc(C)c1C 32894027 YKQDYGPDIMWVTJ-KRWDZBQOSA-N 439.603 2.899 0 40 IFAB O=C(CCSc1nncn1Cc1ccco1)NC(=O)Nc1ccc2c(c1)OCCO2 32907135 ATIDRGGLIITEBM-UHFFFAOYSA-N 429.458 2.521 0 40 IFAB COc1ccc(-c2ccc(N3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nn2)cc1 38488102 RWDVZFVTXBHTBI-UHFFFAOYSA-N 441.495 2.695 0 40 IFAB Cc1cnc2n(c1=O)[C@H](CC(=O)OCc1cc(-c3ccc4c(c3)OCO4)on1)CS2 38768193 KPTNQTQHWSHECG-CQSZACIVSA-N 427.438 2.716 0 40 IFAB COCc1nn2c(nnc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccc(Cl)cc1 40396180 CZYOOPZIXSPYRZ-UHFFFAOYSA-N 435.875 2.872 0 40 IFAB CN(CC(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)S(C)(=O)=O 48984860 SEXBZXIDLIMWII-UHFFFAOYSA-N 440.494 2.679 0 40 IFAB O=c1c(=O)n(-c2ccccc2)ccn1Cc1nc(-c2ccc(Br)cc2)no1 49407681 UJUHSBJBBAIRPG-UHFFFAOYSA-N 425.242 2.860 0 40 IFAB CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3nc(-c4ccncc4)no3)C2)s1 62022927 PJXQPJQAEJJHTN-ZDUSSCGKSA-N 431.547 2.946 0 40 IFAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CCN(Cc1ccc(CN2CCOCC2)o1)C3 72339371 IDWASGSYFAATPT-UHFFFAOYSA-N 449.511 2.987 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 72399041 AWWWCHALKPRVBW-CQSZACIVSA-N 428.558 2.782 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 95466707 KZJDVWUYHPYXMO-DJJJIMSYSA-N 436.890 2.789 0 40 IFAB O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1ccc2c(c1)OCCO2 95945086 YEJLTJNFYXJNJE-MRXNPFEDSA-N 440.403 2.663 0 40 IFAB COc1ccc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1F 96121517 RAUIECNFTKRLRL-UHFFFAOYSA-N 430.505 2.950 0 40 IFAB COc1cccc(CN2C[C@H]3CCN(C(=O)c4cccc(OC)c4)CC[C@H]3S2(=O)=O)c1 96145375 KZKRSMOQDNZWNJ-DENIHFKCSA-N 444.553 2.770 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219670793 DOCBYHCLDIJJJG-QGZVFWFLSA-N 428.510 2.948 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 223939544 KOZGTOQMZRYRNZ-HNNXBMFYSA-N 433.530 2.628 0 40 IFAB C[C@@H](CNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 224815912 UJKYZEJSVQDDGG-KRWDZBQOSA-N 432.542 2.924 0 40 IFAB O=C(CCCS(=O)(=O)c1ccccc1)N1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 257246550 IUQSLEZXIMFQJO-NRFANRHFSA-N 440.525 2.626 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCCn2nc(C)cc2C)(c2ccccc2)CC[C@@H]1O 257331256 XSAROJGCPSKSEU-LSQMVHIFSA-N 440.588 2.774 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 408550220 BOYQNLXRQFSVRJ-SJLPKXTDSA-N 432.542 2.982 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 408654047 JGCOJKPBMBJTDF-AWEZNQCLSA-N 430.844 2.661 0 40 IFAB COc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710296 WMDSPFVHBOQQCK-UHFFFAOYSA-N 431.492 2.923 0 40 IFAB CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(OC)c(OC)c2Br)C1=O 535917226 CFBCXHJXTKTQCT-GOSISDBHSA-N 437.294 2.557 0 40 IFAB C[C@]1(c2cccc(C(=O)N3CCC[C@@H](c4n[nH]c(-c5ccccc5)n4)C3)c2)NC(=O)NC1=O 540850909 IVZBEBJZHMNYII-MZNJEOGPSA-N 444.495 2.546 0 40 IFAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2 579192100 LUPWDVCFAXTNEX-LJQANCHMSA-N 440.431 2.868 0 40 IFAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1cccc(N2CCCCS2(=O)=O)c1 1547201140 XFUDUCHJVDBPSC-UHFFFAOYSA-N 426.498 2.601 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3NC(=O)C[C@@H]3c3ccccc3)c2)C1 1654089493 UPVSWFMRLBMEDB-CBGDNZLLSA-N 441.553 2.972 0 40 IFAB Cc1cc(C)cc(C2(C(=O)N3CCN(Cc4ccccc4)C[C@H]3C(N)=O)CCOCC2)c1 1848352583 LUMWTYHUNSIVSK-QHCPKHFHSA-N 435.568 2.550 0 40 IFAB COC(=O)c1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCOCC3)C2=O)cc1 956200 XWEIGCUDYBGLAX-UHFFFAOYSA-N 438.505 2.991 0 40 IFAB CCc1ccc(N2C(=O)C[C@H](N(Cc3ccc(OC)cc3)C(=O)/C=C/C(=O)O)C2=O)cc1 2318756 JHQGHOSISVNMBQ-SJFMBGHLSA-N 436.464 2.559 0 40 IFAB COc1ccc(CCNC(=O)COC(=O)c2ccccc2I)cc1 3265251 QSCDOLFZGHFRDT-UHFFFAOYSA-N 439.249 2.816 0 40 IFAB CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1Cc1ccccc1 4100791 IKEOPVAEBLWHGX-UHFFFAOYSA-N 440.525 2.920 0 40 IFAB CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CCCCC4)CO[C@H]23)c1 6131112 DCLFJEHLCPXBFC-MTQWCTHYSA-N 446.500 2.643 0 40 IFAB biogenic,in-vitro COCCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6239062 QRPIWQMIOSRXJA-UHFFFAOYSA-N 431.539 2.841 0 40 IFAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)C(C)C 8823993 ADYRCVMMEOQSOV-FQEVSTJZSA-N 438.480 2.679 0 40 IFAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 8849837 GQDMOCNFPPWURR-HNNXBMFYSA-N 440.537 2.607 0 40 IFAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)cc1OC 8972413 PJBFGZKFTUEGEH-HMMYKYKNSA-N 434.496 2.878 0 40 IFAB O=C1N[C@H](c2ccc(OC(F)F)cc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 9086849 ODDLHYHPRDAOEO-PBFPGSCMSA-N 431.317 2.787 0 40 IFAB CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 9233845 YZYJSKCVPBPPAM-CYBMUJFWSA-N 435.402 2.822 0 40 IFAB Cc1nn(CC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1S(=O)(=O)N(C)Cc1ccco1 9376871 WCIMXDGAYNOVMW-HNNXBMFYSA-N 442.541 2.891 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1/N=c1\scc(C)n1CCCN1CCCC1=O 9580207 ISFFHJUCDXOVPY-MRCUWXFGSA-N 436.603 2.662 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc2c(c1)OC(F)(F)O2 9788247 OAMLTLZCBDUCMV-UHFFFAOYSA-N 449.334 2.800 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)cc1 9806247 NJQVHULUFJTKAJ-SFHVURJKSA-N 429.542 2.520 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1 9806304 CTLRUXTUGWDUIG-HXUWFJFHSA-N 443.569 2.828 0 40 IFAB Cn1c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)c2c1nc1n2CCN1Cc1ccco1 10251968 QSQZVSIOFBMVIT-UHFFFAOYSA-N 446.294 2.865 0 40 IFAB O=C(CN1CCC(n2c(=O)oc3ccccc32)CC1)Nc1ccccc1N1CCOCC1 12143879 VZNWSPLQWQAVMG-UHFFFAOYSA-N 436.512 2.707 0 40 IFAB CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 12761778 PQATUAZIGSMRHW-ZBFHGGJFSA-N 446.447 2.796 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)CCOc2ccc(C)cc2)c1 12883308 WJNNQKXIMLZYNG-UHFFFAOYSA-N 429.425 2.519 0 40 IFAB Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1C 12946933 MJNQZYNQYKZFLX-UHFFFAOYSA-N 441.557 2.672 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 13752000 RAFNRZUCCNHXGV-UHFFFAOYSA-N 434.481 2.811 0 40 IFAB CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1nc(=O)c2ccccc2[nH]1 14122908 JHMZTYPDXVJCMH-UHFFFAOYSA-N 433.512 2.901 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 15418183 DEAQGJHOOSVZPE-UHFFFAOYSA-N 425.514 2.985 0 40 IFAB CC(=O)c1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c1 16842163 DPRHXAWXFUBBLT-UHFFFAOYSA-N 448.551 2.887 0 40 IFAB COc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)cc1OC 16980827 OCVMZULPLJBIMO-UHFFFAOYSA-N 425.489 2.778 0 40 IFAB Cc1ncc(C(=O)N(C)C)c(-c2ccc(CNC(=O)Cc3ccc4c(c3)OCO4)cc2)n1 19287088 VIXNLQWWHQJMHB-UHFFFAOYSA-N 432.480 2.741 0 40 IFAB COc1ccc(CC(=O)N2CC[C@@H](c3nc(-c4cccnc4OC)cc(=O)[nH]3)C2)cc1C 19571041 IMCKBWODDVHJJR-QGZVFWFLSA-N 434.496 2.716 0 40 IFAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)n1 19692115 OHGOGWWKWBRNTD-UHFFFAOYSA-N 442.523 2.907 0 40 IFAB CC(=O)NCc1ccc([C@H]2CN(C(=O)c3cccc4cccnc34)C[C@@H]2C(=O)N(C)C)cc1 19698732 GJVVVFYLHIYYGD-PKTZIBPZSA-N 444.535 2.815 0 40 IFAB Cc1nonc1CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19743866 CKUQYCNFPLVCAA-SFHVURJKSA-N 446.511 2.514 0 40 IFAB Cc1cc(NC(=O)c2cccn(CC(=O)Nc3nc4c(s3)CCCCC4)c2=O)no1 19749939 JGEBXINULSERRL-UHFFFAOYSA-N 427.486 2.761 0 40 IFAB CN1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)[C@@H](c2ccccc2)C1 19751672 DCQCPCAXGOQJJH-JOCHJYFZSA-N 448.498 2.755 0 40 IFAB O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1Cl 20458775 NPBFYMGWDHWZCP-SFHVURJKSA-N 427.888 2.518 0 40 IFAB COc1cc(CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 22996806 MHESHMQGACQFRJ-UHFFFAOYSA-N 447.557 2.571 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)N2CCOCC2)cc1 23156039 KBWIFHBECUTUFB-QRWLVFNGSA-N 441.553 2.931 0 40 IFAB O=c1c2ccccc2sn1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 25664913 ABKZIWMZHNSEPY-UHFFFAOYSA-N 429.567 2.516 0 40 IFAB COC(=O)C1=C(CSc2nc3ncccn3n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 32906028 SGHMAQVSZPEENN-KRWDZBQOSA-N 436.497 2.572 0 40 IFAB CN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 32947042 GZLNDHSSOMXYCB-UHFFFAOYSA-N 445.324 2.702 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2cc(O)ccc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 33676320 PKHUWZMVWYVJTB-ZDLGFXPLSA-N 439.449 2.922 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccc(F)c(F)c1 44871833 CWZWRSBCYHUJLU-UHFFFAOYSA-N 437.512 2.643 0 40 IFAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCN(c2ccccc2)CC1 63156429 XROXFLLRWPGQCP-UHFFFAOYSA-N 433.512 2.810 0 40 IFAB Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 72325269 RZZNXUDUDITMDE-RUZDIDTESA-N 445.523 2.678 0 40 IFAB CNC(=O)c1cnc([C@H]2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)C2)nc1C 72351987 ORWUMVWBWJIPPI-SFHVURJKSA-N 449.511 2.958 0 40 IFAB C[C@@H]1CCc2c(sc3ncnc(N[C@@H](Cc4ccccc4)C(=O)NCCC(N)=O)c23)C1 95443208 KIIUGZNGHBOIFD-PBHICJAKSA-N 437.569 2.831 0 40 IFAB Cc1nc(CN2CCCN(C(=O)c3cc(Br)c(C)nc3O)CC2)cs1 95943995 FZPXCCCYAJVXTO-UHFFFAOYSA-N 425.352 2.971 0 40 IFAB CCc1ccc(S(=O)(=O)NCCn2nc(-n3ccc4ccccc43)ccc2=O)s1 96097974 QEXZCBQYBVLNHI-UHFFFAOYSA-N 428.539 2.790 0 40 IFAB COCc1ccc(OC)c(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1 100149617 AZLMYHRTRNLUCM-OALUTQOASA-N 443.544 2.769 0 40 IFAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]12 100568205 ONLBMTKUPJXPHO-LQNCWFGHSA-N 438.094 2.848 0 40 IFAB COc1cccc(CCCNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220110043 GGJKYONKCLXZTN-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220453896 IAFCXZANFAYZFV-CYBMUJFWSA-N 439.484 2.898 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)n2)c1 222563225 PTBRIZJOVRQPQR-UHFFFAOYSA-N 426.498 2.905 0 40 IFAB COc1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C(C)=O)cc1OC 223330984 RDWFGEHJGKPDIR-UHFFFAOYSA-N 426.834 2.795 0 40 IFAB COc1ccc(C)cc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224765003 XNGIRNPMIBDISX-UHFFFAOYSA-N 438.521 2.884 0 40 IFAB CC(C)(C)C1CCN([C@H]2[C@H](NC(=O)c3cc[nH]n3)C[C@@H](Oc3ccccc3F)[C@@H]2O)CC1 257296792 REKPOTSKEBJTOT-YJMBLLCNSA-N 444.551 2.986 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1C 408625417 UVYRRWIKJHIWFQ-UHFFFAOYSA-N 445.585 2.865 0 40 IFAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)NCCc1ccccc1 409218317 TZKPMRBWNGSNAW-UHFFFAOYSA-N 437.569 2.551 0 40 IFAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 575425706 HLRVQYHJBRXUDU-HNNXBMFYSA-N 441.914 2.540 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cn[nH]c3)[C@@H]21 604404911 LQFVUORWJSDZOE-OAQYLSRUSA-N 447.451 2.571 0 40 IFAB biogenic Cc1c(NCC(C)(C)[C@@]2(O)CCCOC2)ncnc1NCC(C)(C)[C@]1(O)CCCOC1 630094480 ICONRFCJJXXWMS-ZRZAMGCNSA-N 436.597 2.744 0 40 IFAB COc1ccc([C@@H](CC(=O)NCc2cn3c(n2)SCC3)c2oc(C)cc(=O)c2O)cc1 1547138242 CVWQADMTZDMKSI-QGZVFWFLSA-N 441.509 2.803 0 40 IFAB biogenic O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889224544 ZVWSZMNKACVLPY-RHSMWYFYSA-N 439.459 2.935 0 40 IFAB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc2c(c1)OCO2 816214 KZWIGPYSXCKUMT-FOPRYUNUSA-N 441.480 2.980 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3460893 SHKQMVQCZXHRJT-LJQANCHMSA-N 434.265 2.672 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3ccccc3F)CC2)c1 4767814 ZFXPEMKWJXGIRD-UHFFFAOYSA-N 431.489 2.918 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(OC)cc1 8399149 PYOYTJDSQGNANU-OXRZLYTFSA-N 440.546 2.868 0 40 IFAB CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)CC1 8605781 AYPMCGGFPQPNMP-UHFFFAOYSA-N 429.517 2.965 0 40 IFAB O=C(COC(=O)COc1ccc(C(=O)c2ccccc2)cc1)NC(=O)NCc1ccccc1 8876967 ZFVCESXDLQDEEQ-UHFFFAOYSA-N 446.459 2.866 0 40 IFAB CC[C@@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O 8880579 CEFZGDSLFUBQKJ-FQEVSTJZSA-N 435.933 2.948 0 40 IFAB CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1OC 9063934 BZHTXVILHAMMPN-UHFFFAOYSA-N 445.585 2.963 0 40 IFAB CCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCO 9431994 DPGIYMXDQPFYBI-VWLOTQADSA-N 432.476 2.858 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)NCC(F)(F)F 10399725 NRDDWRUFHKAIOB-GFCCVEGCSA-N 425.498 2.805 0 40 IFAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 12006475 IBMNIIAWVXIZPX-HNNXBMFYSA-N 444.451 2.516 0 40 IFAB Cn1nc([C@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2)c2cccnc21 12253790 ZYJPQRBUERLZFU-KRWDZBQOSA-N 426.542 2.928 0 40 IFAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 12568626 QNSRRHZTNDENHX-HIGJEIRPSA-N 433.622 2.918 0 40 IFAB O=S(=O)(N1CCCC1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 12764583 PSXJRYRIWJHEHT-UHFFFAOYSA-N 429.571 2.821 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)CC1 12767558 LBTLWZRBGIIGKN-UHFFFAOYSA-N 429.876 2.807 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1CCc2ccccc21 13572486 RRIHNRJBZZPTHP-WBVHZDCISA-N 425.579 2.875 0 40 IFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCCc1ccccc1 13992386 YFZVTMPOWYMNMB-UHFFFAOYSA-N 427.504 2.765 0 40 IFAB Cc1ccc(CN(C)C(=O)CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 16427790 OYTCMVAYTZYSCS-UHFFFAOYSA-N 429.586 2.658 0 40 IFAB Cc1cc(-c2cnc(N3C[C@H](C)O[C@H](C)C3)nc2-c2ccc(N3CCOCC3)nc2)on1 19123962 AXYVHQPQIQJNCC-CALCHBBNSA-N 436.516 2.952 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N(C(C)C)C(C)C)CC3)c(=O)c2c1C 19561408 MFBYERXXGOGEMJ-UHFFFAOYSA-N 434.606 2.547 0 40 IFAB Cc1ncc(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c(C)n1 19692728 UZRKVRMICMWAKH-FQEVSTJZSA-N 436.491 2.969 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)c3c(C(C)C)noc3C)C2)nc2c1CN(C(C)=O)CC2 19710477 HRLKWSIBSPLRCW-MRXNPFEDSA-N 440.548 2.863 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)cc1 19751283 XGJIHERUCGXALF-GOSISDBHSA-N 438.509 2.929 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 21896136 WUMJFRLPIAOKLV-UHFFFAOYSA-N 436.555 2.642 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22375514 XZLPUHLFBROCHJ-GOSISDBHSA-N 434.558 2.970 0 40 IFAB NC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 22659020 KHDBERUOJFHUAL-UHFFFAOYSA-N 435.455 2.922 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)N2CCOCC2)cc1 23156038 KBWIFHBECUTUFB-FOIQADDNSA-N 441.553 2.931 0 40 IFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COc1ccc(F)cc1Br 24841917 ODRLRLDOPHTPNM-SNVBAGLBSA-N 443.294 2.592 0 40 IFAB O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2ccnc2)nc1 24906019 MENNWBSLQYBYGJ-UHFFFAOYSA-N 439.273 2.769 0 40 IFAB O=C(NCc1ccccc1)NC1(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CCCC1 31040053 GJCZPKCROOIICC-UHFFFAOYSA-N 438.528 2.813 0 40 IFAB O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 32744839 ZFAIIQQKSZYAAX-IBGZPJMESA-N 425.554 2.908 0 40 IFAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc1 34888675 CEHXMPJVVPTWPR-UHFFFAOYSA-N 439.541 2.835 0 40 IFAB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)O)COC1(C)C 35529541 QMRGOZHWQFEGGB-JLTOFOAXSA-N 438.480 2.962 0 40 IFAB CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCN1C(=O)CSc2ccccc21 36392445 DAMPGPNGRLFDFM-UHFFFAOYSA-N 430.551 2.898 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 40105724 PWWIQDQVINPIJR-UHFFFAOYSA-N 426.542 2.865 0 40 IFAB Cc1nn(C)c(Cl)c1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 65553803 AUXCFSTYURAUSZ-CYBMUJFWSA-N 429.901 2.665 0 40 IFAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)N[C@@H]3CCc4ccccc43)C3=C2C(=O)OC3)c1 67288904 DJCXHLMRMSEOHT-XXBNENTESA-N 431.492 2.984 0 40 IFAB CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)cc3)c2C)c1 71327326 DGVAFLKHACQSAC-UHFFFAOYSA-N 437.456 2.663 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 72328032 FCLHNPCGOMPNIA-YJLYGGOZSA-N 427.545 2.597 0 40 IFAB COc1ccc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)cc1Cl 90607959 YUKCRMIXDXTDMM-UHFFFAOYSA-N 434.909 2.668 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccccc1Cl 106615717 LURVSZISXTYPFL-AUUYWEPGSA-N 449.935 2.786 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219438606 AQRPNDHHBGNEHL-UHFFFAOYSA-N 443.525 2.780 0 40 IFAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl 223889126 KMAYMJNNIIPOPW-LLVKDONJSA-N 431.919 2.570 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 224194920 BRRVODCAPDGXLS-LJQANCHMSA-N 428.514 2.636 0 40 IFAB COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)cc1F 238874870 NUEVMQBACDBQBB-LLVKDONJSA-N 431.283 2.834 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)on1 257207842 BJOPLYXZQAYBFI-ULQDDVLXSA-N 432.546 2.573 0 40 IFAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)CC1 257311035 UHRDAPYWOHFAAA-MBOZVWFJSA-N 442.560 2.736 0 40 IFAB COc1ccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)cc1 408623027 CIPYGSKVNZWYAM-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(OC)cc3)CC2=O)cc1 408638826 TTWPYKBKXGWOPS-WMLDXEAASA-N 425.437 2.649 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 408972713 VCEPCJCWFLIWNM-UHFFFAOYSA-N 426.469 2.981 0 40 IFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1 409211537 ODAKCAPAMKURSN-FMNVXAMXSA-N 432.498 2.676 0 40 IFAB O[C@@H](C1CCN(c2cc(N3CCC([C@@H](O)C(F)(F)F)CC3)ncn2)CC1)C(F)(F)F 533335529 SVNAULIAYVKKFR-IYBDPMFKSA-N 442.404 2.756 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)C1 575617007 MEVVXEVIYKHRKW-INIZCTEOSA-N 441.532 2.602 0 40 IFAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1CC[C@]2(O)CCCC[C@H]2C1 604419646 OFFFOCNZAWTYHK-UIIQVKDUSA-N 445.519 2.955 0 40 IFAB biogenic COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C(=O)O)[C@@H]2C(=O)N(C)C)cc1OC 1665889 ZOQZQZZCOKBEKI-SSKFGXFMSA-N 443.496 2.814 0 40 IFAB Cc1cc(C)nc(N2CCN(CCCCN3C(=O)[C@@H]4CC[C@](C)(C3=O)C4(C)C)CC2)n1 1814208 HRJSJJLFINLRSD-YADARESESA-N 427.593 2.807 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)CC1 9051000 HQQISBHMFTWJDQ-UHFFFAOYSA-N 435.427 2.538 0 40 IFAB Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(OC(F)F)cc1 9125081 SVRNRZUSCGUXGH-UHFFFAOYSA-N 449.439 2.762 0 40 IFAB CN(C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 9202402 WYJKLWFXXBOQJJ-UHFFFAOYSA-N 444.431 2.580 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)cc1 9508941 DSQRFJJJKJYYPF-UHFFFAOYSA-N 446.525 2.911 0 40 IFAB Cc1ccc(CNC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1 9748678 IVYAZAOOERWPOI-RTBURBONSA-N 425.876 2.566 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)CNc2ccccc2I)cc1 11618250 IHEZWSXPHGSUKQ-UHFFFAOYSA-N 430.267 2.745 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cccc(C)n3)nn2)cc1 11697120 LAXFGIIOFAFWAH-UHFFFAOYSA-N 428.518 2.713 0 40 IFAB O=C(NC[C@@H](O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 12408369 GGPOEESMRLVAST-OAQYLSRUSA-N 428.485 2.768 0 40 IFAB O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12551443 UERTYTZGTTXXFV-UHFFFAOYSA-N 448.907 2.812 0 40 IFAB CCCCn1c(N)c(N(CC(C)C)C(=O)COc2ccc(OCCC)cc2)c(=O)[nH]c1=O 12692552 IPMYBKXLCNTYRE-UHFFFAOYSA-N 446.548 2.776 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCN(Cc2ccccc2)CC1 12751368 NYJNGIGUMJGRTI-UHFFFAOYSA-N 448.489 2.920 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 12799186 RHWHSQMKOYKYKZ-LJQANCHMSA-N 441.553 2.848 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12867720 KJNHTFQCNLRVHS-HNNXBMFYSA-N 439.940 2.954 0 40 IFAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 12990709 FCTRZRSGRRMEOB-FQEVSTJZSA-N 438.915 2.770 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1Br 13134790 UYPKRJZEJMDHML-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 13149121 QUVCWTOXRRVONE-XMHCIUCPSA-N 427.432 2.781 0 40 IFAB COCCNC(=O)[C@H](c1ccccc1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 13508740 ZDJWPWTWUNUVMD-QHCPKHFHSA-N 437.544 2.810 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1 13696654 OHCDCJQOLIPPFJ-HXUWFJFHSA-N 429.498 2.514 0 40 IFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)Cc4ccccc4OC)nn23)c1 13706464 BWHNEYIKHYKJMN-UHFFFAOYSA-N 433.468 2.546 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(CC(=O)N2CCC(c3ccccc3)=N2)CC1 14022859 RUNSAFRCYRHKKL-UHFFFAOYSA-N 434.496 2.702 0 40 IFAB Cc1ccc(OCCNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C)c1 14229081 YUVLOEPNUCGNQA-UHFFFAOYSA-N 441.553 2.660 0 40 IFAB Cc1cccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2C)c1 16617624 GREHRWTXQTVNQZ-UHFFFAOYSA-N 425.470 2.960 0 40 IFAB Cc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 19235117 WCNVWZNWERLDCM-FDDCHVKYSA-N 429.586 2.561 0 40 IFAB Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 19237087 OWPOJIQDJGSOTK-OAQYLSRUSA-N 434.540 2.669 0 40 IFAB O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 19341896 LVIWRESYCXWKIC-CTNGQTDRSA-N 441.601 2.854 0 40 IFAB Cc1cc(NC(=O)CN(C)Cc2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)no1 19698556 FATYIXQJZGFNPG-UHFFFAOYSA-N 448.527 2.674 0 40 IFAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)C(C)(C)OC)n1 19700956 BZLYUIPQIFHUON-AWEZNQCLSA-N 429.496 2.561 0 40 IFAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 21636630 HOKVDNMJBJYNER-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 22362716 LKDLDUNYMRVVGQ-KRWDZBQOSA-N 448.541 2.888 0 40 IFAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(OC)c(Cl)c3)c(=O)c2=O)cc1 22725386 AAAIPOCLCFSNKW-UHFFFAOYSA-N 429.860 2.699 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 23043572 MTXWYTMUEGYGGX-UHFFFAOYSA-N 426.542 2.807 0 40 IFAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 26163565 NWTPRWPZZSZLIS-NRFANRHFSA-N 430.844 2.893 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1cccc2[nH]ccc12)C1CC1 32102729 MLPKDMSUBOOSCL-UHFFFAOYSA-N 439.537 2.994 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1cc(C(C)=O)ccc1OC 32675780 IQOGYNRRTMFYJC-UHFFFAOYSA-N 426.469 2.699 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2C(=O)OC)cc1C 39986200 PYJLMYXQKNQMMS-UHFFFAOYSA-N 434.514 2.830 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 58144030 VDHBIFFCUGKQIW-XVTZWQNCSA-N 426.561 2.501 0 40 IFAB Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)COCCN2CCCC2=O)n1 72372640 CDIMTGZQMCVFGS-FQEVSTJZSA-N 441.507 2.970 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)O)c2cccs2)ccc1OC 95348434 UNZFYVVWOVZROE-CQSZACIVSA-N 440.543 2.733 0 40 IFAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CCN(Cc2ccncc2)CC1 95446723 JUGBJMQOJZXNGD-UHFFFAOYSA-N 441.601 2.656 0 40 IFAB CC(C)CN1CC2(CCN(C(=O)NCc3cccc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 96144228 CGWDNEFECHDMPO-DEOSSOPVSA-N 430.568 2.938 0 40 IFAB CCOCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 100873580 NESFRRGRDSOUAM-UZYVYHOESA-N 439.946 2.781 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5Cl)no4)[C@@H]3C2=O)cc1 101274917 NZWAOJFJYZVOCL-IRXDYDNUSA-N 438.831 2.892 0 40 IFAB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccc4cccnc4c3N1[C@H]2C(=O)C(C)(C)C 103461557 HJLLEAXAUCBGJM-OEMYIYORSA-N 433.508 2.682 0 40 IFAB NC[C@@]1(CO)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218238920 KABRPIILECQRPU-IXDOHACOSA-N 430.751 2.980 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1N1CCCC1=O 222704026 GPKZLRBWRQUCDW-AWEZNQCLSA-N 432.498 2.633 0 40 IFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 222917862 CDMRLBVCLOEMRP-UHFFFAOYSA-N 446.510 2.995 0 40 IFAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)ccc21 223033036 PAKCNNRMDSJKOK-UHFFFAOYSA-N 429.498 2.580 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1CCCN1CCOCC1 223169426 UECULOYVJGGBOU-DHIUTWEWSA-N 448.596 2.962 0 40 IFAB Cc1ccc(C)c(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 224025827 MQUMWVKTVBEUCG-LJQANCHMSA-N 438.933 2.679 0 40 IFAB Cc1ccc(CN(CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)S(C)(=O)=O)cc1 224111417 NSKKTCJMMQYZKC-UHFFFAOYSA-N 429.542 2.831 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225489175 YXGBZYHQWMEZAB-HXUWFJFHSA-N 439.597 2.997 0 40 IFAB COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 260826473 BHCBKHCSITUJAP-MRXNPFEDSA-N 448.541 2.890 0 40 IFAB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1ccc(OC)cc1)S(C)(=O)=O 260842872 YEYQXHVOYQSPEW-DNVCBOLYSA-N 448.541 2.888 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl 260888524 BCAYWBBICZWYKU-ZBFHGGJFSA-N 438.933 2.759 0 40 IFAB CCOCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 306138618 SCFYLOSIUIALPW-XMSQKQJNSA-N 445.589 2.610 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 408618381 FYRQQZPMUZMBOV-UHFFFAOYSA-N 432.542 2.955 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O 409227887 SMRBCHKCZSASMC-OVCLIPMQSA-N 445.859 2.897 0 40 IFAB Cc1nc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)nc2ccccc12 554716520 SNQWHFZREPJNMU-UHFFFAOYSA-N 425.510 2.578 0 40 IFAB CO[C@@H]1C=C[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@@H](C)[C@H](C)CCC=C1C 585660735 XBLHNZRXAORYAC-GZFHJHFJSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681678722 QZLRUNINPYIFPH-VWLOTQADSA-N 428.492 2.859 0 40 IFAB Cn1cc(C(=O)N2CCC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C(F)(F)F)n1 2037988516 PZWXLEKHTXEXGB-IBGZPJMESA-N 440.397 2.616 0 40 IFAB O=C(NC1CCCCC1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 1325147 IRXAJPVQERJMIH-UHFFFAOYSA-N 435.532 2.785 0 40 IFAB CN(C)CCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 2293775 BEPMRQJETDVBMK-UHFFFAOYSA-N 427.578 2.714 0 40 IFAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(OC)c1 2741680 FXFMMIQLGFKWEK-UHFFFAOYSA-N 428.470 2.855 0 40 IFAB CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)Nc3ccc(F)cc3)C1)C2 8263775 IATSLGHKHGYSOM-LSDHHAIUSA-N 448.520 2.790 0 40 IFAB biogenic,in-vitro COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@H]3COC(=O)[C@@H]32)cc2c1OCO2 8655143 TZBRMJJJXYXKGJ-IRWQIABSSA-N 428.437 2.927 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 8927478 HCCITTNYYRILCR-CQSZACIVSA-N 435.263 2.913 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 9222488 AIMHZXSJIAPLAA-IBGZPJMESA-N 431.242 2.908 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288715 ISLQNCGHQVXTFC-LSDHHAIUSA-N 433.505 2.894 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(F)cc3)C2)c1 9349078 GYHPLHFEFZNVHA-GOSISDBHSA-N 433.461 2.740 0 40 IFAB Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(-c3ccccc3F)nc2n(C)c1=O 9517594 WUXCGIMYAZTZJZ-UHFFFAOYSA-N 436.468 2.808 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(O)cc2)c1 9562054 XPXSZFCAKFNYGX-UHFFFAOYSA-N 440.905 2.872 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1 9572672 LKJRTJJOVJQKDQ-UHFFFAOYSA-N 431.495 2.551 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccccc1 9630443 COZCXKDCPHAIDQ-KSSFIOAISA-N 427.284 2.985 0 40 IFAB COc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ncccc32)c1 9660649 ADUOTDOHSUBHGH-UHFFFAOYSA-N 430.464 2.562 0 40 IFAB CCCCn1c(SCc2nnnn2-c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 9873759 GLRZIQZVMAJPCU-UHFFFAOYSA-N 443.558 2.752 0 40 IFAB CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 10128956 AGDMMULSNHLPFK-IBGZPJMESA-N 439.537 2.510 0 40 IFAB COc1ccc(Cl)cc1NC(=O)C[C@@H](NCCc1ccc(OC)c(OC)c1)C(=O)O 10186419 QCCBQSQHRDBZPI-MRXNPFEDSA-N 436.892 2.980 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 10453132 CWYPFKCYUHUDIZ-VIFPVBQESA-N 447.296 2.833 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 10913259 ZDINXNNDWMCSFY-UHFFFAOYSA-N 437.452 2.604 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(Cl)cc3)nnc1n2Cc1ccccc1F 10968991 AQZRJIBYAGRXDX-UHFFFAOYSA-N 438.850 2.589 0 40 IFAB COc1ccccc1-c1nnc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)o1 11024021 JISSAWAXJKFVDQ-UHFFFAOYSA-N 448.526 2.846 0 40 IFAB CCOc1ccc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 11919066 MHWXYGUVYCIXGY-INIZCTEOSA-N 425.485 2.686 0 40 IFAB O=C(c1ccc(CN2CCCC2)cc1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142346 CAUPZPFGFMMOEX-UHFFFAOYSA-N 440.569 2.619 0 40 IFAB COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1OC 12219507 ONSYXVGVXIXUPS-IBGZPJMESA-N 437.544 2.964 0 40 IFAB COCCn1/c(=N\C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc(F)cc(F)c21 12310981 FZFAZLPXFJPFDC-ZBJSNUHESA-N 440.493 2.670 0 40 IFAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 12371434 ZPKGMTPGTKOPNI-FZONSQQESA-N 437.883 2.780 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(C)nn(CC(C)C)c3C)CC2)cc1 12913006 JZMYHIRIYCHCFM-UHFFFAOYSA-N 446.617 2.930 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)cc1 13068691 DJXLZGCZQZYGHL-RCDICMHDSA-N 441.509 2.869 0 40 IFAB O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1)NCc1ccc(F)cc1 13501674 SYRMUQZSLHXBPF-UHFFFAOYSA-N 444.488 2.939 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16038014 RESSSVYMVVHWDL-MLHJIOFPSA-N 427.382 2.706 0 40 IFAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 16980794 CMYVCWXWMJININ-UHFFFAOYSA-N 432.528 2.962 0 40 IFAB Clc1ccccc1OCCCN1CCN(Cc2ccnc(N3CCOCC3)n2)CC1 19368118 CMEHJISOJHBCTG-UHFFFAOYSA-N 431.968 2.553 0 40 IFAB Cc1nn2c([C@@H]3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)ccnc2c1Cn1cncn1 19707643 BACOCEXWQROLRE-MRXNPFEDSA-N 444.474 2.928 0 40 IFAB CCCN1C[C@H](C(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1=O 19746344 NAJNNHZXLFQZIB-CYBMUJFWSA-N 437.422 2.738 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20455971 GKLGLTBPUUBJTI-KRWDZBQOSA-N 426.878 2.523 0 40 IFAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 20490197 CAJDELSMBHJZMD-WOJBJXKFSA-N 435.634 2.713 0 40 IFAB CCN1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)CC1 23423241 OYUBYCFRDDRTLB-UHFFFAOYSA-N 427.998 2.828 0 40 IFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 23642438 OELFYLLGPORZES-FQEVSTJZSA-N 433.936 2.911 0 40 IFAB O=C(Cc1ccccc1)NCC(=O)N1CCN(Cc2ccc(Br)s2)CC1 23761000 BWWKMXQPBGOGLZ-UHFFFAOYSA-N 436.375 2.514 0 40 IFAB CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1 27663135 SGBCQGZUEPXYGX-AWEZNQCLSA-N 448.566 2.805 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 31066192 VKLGORLOQRKCQY-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB Cn1c(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1cccnc1 32777099 LTQKKGZWAGCODQ-UHFFFAOYSA-N 426.521 2.847 0 40 IFAB NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4Cc4cccnc4)n3)ccn2)CC1 35424712 SYFNQKFBXFJNGO-IBGZPJMESA-N 433.516 2.565 0 40 IFAB biogenic,in-vitro Cc1ccc(O)c(C(=O)N2CCC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)c1 40088587 REHQMXLHJSWQDW-UHFFFAOYSA-N 449.551 2.974 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)Cn3nc(-c4cccs4)ccc3=O)sc2c1 49545744 KRRCEJPUXVMAPG-UHFFFAOYSA-N 446.535 2.624 0 40 IFAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCc1ccccc1OC(F)(F)F 61969172 JBNHBIYIQGRWEB-UHFFFAOYSA-N 437.403 2.943 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O 67226110 FWAMZOGVCZSXPM-CYBMUJFWSA-N 441.513 2.515 0 40 IFAB O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1CCC[C@H](C(=O)N2CCOCC2)C1 69327996 KZQHEQYHSAGSSY-LBPRGKRZSA-N 438.297 2.781 0 40 IFAB O=C(CSc1n[nH]c(=O)n1C[C@H]1CCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 69808700 CQQXUXKAPAMMCF-UXHICEINSA-N 438.553 2.943 0 40 IFAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccc(Br)cc2)nc1C(=O)O 71195277 XQJAAMCWNPHNIG-AWEZNQCLSA-N 449.261 2.524 0 40 IFAB CCc1cccc(C)c1NC(=O)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O 72311099 KAQGPBTXRUKIBR-UHFFFAOYSA-N 444.532 2.817 0 40 IFAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCN4CCCC[C@H]4C3)nc2-c2cccs2)on1 72337277 DHMITAUNLLALBF-INIZCTEOSA-N 439.541 2.632 0 40 IFAB O=C(NCCc1ccccn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 72373020 ISDYSYYGUUQISL-DNQXCXABSA-N 449.576 2.715 0 40 IFAB O=C(c1ccc(=O)[nH]n1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72380199 ZMHFUFCPSMSHHW-ZDUSSCGKSA-N 447.417 2.763 0 40 IFAB Cn1cnnc1SCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099345 GRMROMWJXMPLRH-UHFFFAOYSA-N 437.573 2.586 0 40 IFAB COc1ccc(CCNC(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 77146614 NAQVNIGPUXNPTQ-UHFFFAOYSA-N 435.528 2.711 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 95958134 IBHGKFRHVYRGRT-NSHDSACASA-N 449.385 2.783 0 40 IFAB COc1ccc(/C=C/C(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc1OC 96096631 IUEJYJKZPXYGFL-UXBLZVDNSA-N 440.525 2.955 0 40 IFAB CCn1nc(CC(=O)N2CCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)c2ccccc2c1=O 100138747 YDXGJOQOMJODFO-HXUWFJFHSA-N 446.511 2.688 0 40 IFAB CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1 100819989 HQENWIUWTDWAGA-HOTGVXAUSA-N 429.542 2.641 0 40 IFAB O=C1Nc2ccc(CN3C(=O)CSC3=O)cc2/C1=C\c1cc(CN2CCOCC2)c[nH]1 113422880 AREYWCZYVPSHGS-GIJQJNRQSA-N 438.509 2.535 0 40 IFAB COc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC1)CC2=O 170550503 XGPQRFBKVRJDSX-UHFFFAOYSA-N 447.509 2.901 0 40 IFAB CCOCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCc1ccc(OC)cc1 217508560 ITFJWTYRSYEMSD-UHFFFAOYSA-N 436.530 2.753 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223154702 ZEFAZNCZFOLXCG-HNNXBMFYSA-N 433.530 2.627 0 40 IFAB Cc1cc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)ccc1N1CCCC1=O 223853053 XEILLLCNQXGBIJ-UHFFFAOYSA-N 427.526 2.727 0 40 IFAB COc1ccc(CNC(=O)CCCN(c2ccc(F)cc2F)S(C)(=O)=O)cc1OC 224812522 MCMVRVPDYZLXPU-UHFFFAOYSA-N 442.484 2.845 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 247958575 PKKFGCGJYIEICA-QEGYLASZSA-N 427.545 2.550 0 40 IFAB COc1ccc([C@@H]2CN(CC(=O)Nc3cc(OC)ccc3NC(C)=O)CCN2C)cc1 257253294 JYHQBPKAFLUZNW-QFIPXVFZSA-N 426.517 2.589 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2noc3c2CCCC3)(c2ccccc2)CC[C@@H]1O 257287008 PNZXDYKTRWOPOV-SKPFHBQLSA-N 425.529 2.661 0 40 IFAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCC(=O)N3CCCCC3)cc2)N2NC=NC2=N1 334161239 XAXJKLNIIGOAQC-OAQYLSRUSA-N 439.516 2.563 0 40 IFAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC 409255028 XNBOTPHWGQOSAV-LFIBNONCSA-N 425.441 2.634 0 40 IFAB O=C(Nc1ccccc1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)Cc2ccccn2)C1 585106855 JRFNPUINBQIBLN-DEOSSOPVSA-N 430.512 2.723 0 40 IFAB CCCc1cc(C(=O)N2CCN(C)CCCN(C(=O)COC)c3ccccc3C2)no1 643555322 ZKMCGAJFBDSSSK-UHFFFAOYSA-N 428.533 2.584 0 40 IFAB C[C@]1(c2ccc(C(=O)Nc3ccc4nc(CN5CCCCC5)[nH]c4c3)cc2)NC(=O)NC1=O 1116199590 QNCLXBSKTIHPSM-XMMPIXPASA-N 446.511 2.856 0 40 IFAB CCN(CC)[C@H]1CCN(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)C1 1624860875 ANTSIPQJPYGMFH-INIZCTEOSA-N 439.402 2.544 0 40 IFAB Cc1nc(C)n(C[C@H](C)C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccc(F)c3)c2)n1 1848351753 ACYFJQWRQWOYKU-QMHKHESXSA-N 449.530 2.907 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888922133 DJPURUXHZZGSLX-OAHLLOKOSA-N 432.477 2.977 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 3485158 SUVOANMLDDAYHP-UHFFFAOYSA-N 440.315 2.852 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 3490500 HKNQHTCVPAYRJY-UHFFFAOYSA-N 432.420 2.615 0 40 IFAB O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)NCCc1ccccc1 4791668 ZZQODQVDHJUEPK-UHFFFAOYSA-N 430.302 2.591 0 40 IFAB CCCCN(C(=O)c1c(-c2ccccc2)noc1C)c1c(N)n(CCC)c(=O)[nH]c1=O 5937909 CLTJARNGXPINQU-UHFFFAOYSA-N 425.489 2.939 0 40 IFAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]23)cc1 6137708 JFXVUMHRYXVOHH-MTQWCTHYSA-N 447.557 2.769 0 40 IFAB biogenic,in-vitro O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC(C(=O)N2CCCCCC2)CC1 8724302 JZIJHRVERPOHFG-UHFFFAOYSA-N 432.546 2.596 0 40 IFAB CC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 9128929 IYYZDYOLYXWFCR-CQSZACIVSA-N 428.441 2.503 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)nnn3CC)cc1 9467203 QCGMBAUKWHPTGB-OAHLLOKOSA-N 429.546 2.973 0 40 IFAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9494797 DWZNZQCTGPIPQG-LFIBNONCSA-N 436.537 2.690 0 40 IFAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccc2c(c1)OCCCO2 9499243 NJZBSCFNWDLKOH-UHFFFAOYSA-N 425.485 2.843 0 40 IFAB CC(=O)Nc1nc(SCC(=O)N2CCCCCC2)[nH]c(=O)c1NC(=O)c1cccs1 9518271 MEJZADKEGQJRIE-UHFFFAOYSA-N 449.558 2.537 0 40 IFAB COc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C 9518785 FLXKLBQAJWZIQB-OAHLLOKOSA-N 449.486 2.881 0 40 IFAB Cc1oc2cc(O[C@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 9666043 BMKTXQDWQOBCMN-WBVHZDCISA-N 441.505 2.839 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9717170 RTFRDEOGRLWMRP-NRFANRHFSA-N 429.542 2.623 0 40 IFAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3nc(C)cs3)nc1=O)CCCC2 9747104 KSFOEWUVSNWPQV-UHFFFAOYSA-N 435.619 2.960 0 40 IFAB COc1ccc(C(=O)NCCSCc2ccccc2F)cc1S(=O)(=O)NC1CC1 9820562 LZBSBXSBGFQPEF-UHFFFAOYSA-N 438.546 2.938 0 40 IFAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(c2ccccn2)CC1 9883541 UFNMGBIHZWVZKP-UHFFFAOYSA-N 448.976 2.872 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 10111067 ZYNZMTDRMCJJAN-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccccc1Cn1cncn1)c1ccccc1O2 12086478 ZIHCBGWUKNCZRB-SQJMNOBHSA-N 445.523 2.961 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)no2)cc1OC 12143491 AYBCNIABZHNOOY-UHFFFAOYSA-N 426.473 2.531 0 40 IFAB COc1cc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O 12324544 GXVAJAIFPVYFQD-GCJKJVERSA-N 426.494 2.645 0 40 IFAB CC(=O)[C@H](C)n1c(Br)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 12422028 XKHZMMDFTGDNIH-VIFPVBQESA-N 439.697 2.511 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 12778290 OBPQOKXPPQSWKY-UHFFFAOYSA-N 441.415 2.736 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12781730 UNOCKEVAKODJRY-UHFFFAOYSA-N 444.340 2.711 0 40 IFAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 12991226 WQWZDSBOCTYZAO-CRAIPNDOSA-N 444.981 2.833 0 40 IFAB CCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1nc2ccccc2c(=O)[nH]1 13120741 LUJGLQRGPGAGKN-UHFFFAOYSA-N 437.891 2.618 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(OCC(C)C)c(OC)c1 13156012 RJTHMSRUTVOLDT-IBGZPJMESA-N 443.496 2.787 0 40 IFAB CNC(=O)c1ccc(CN(C)Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)cc1 14246920 QWRQMLZUIBZYDU-IBGZPJMESA-N 439.541 2.913 0 40 IFAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(S(C)(=O)=O)CC2)cc1 15401140 MVHNOEGLPXORIX-UHFFFAOYSA-N 426.542 2.625 0 40 IFAB O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 15934728 FHOCUMKGECSLRF-UHFFFAOYSA-N 437.949 2.593 0 40 IFAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)s1 16131027 ATASUGLMXNYDNI-UHFFFAOYSA-N 428.510 2.589 0 40 IFAB COc1cccc(-c2noc([C@H]3CN(C(=O)CCCn4nc(C)cc4C)CCO3)n2)c1 19574103 ZQQMGYJWNJTMRD-LJQANCHMSA-N 425.489 2.939 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 19709890 UOKVEWJXLDRVTM-IBGZPJMESA-N 439.560 2.898 0 40 IFAB Cc1cc2c(cc1CN1CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)n(C)c(=O)n2C 19757649 IPVPJAUIFYMOOH-GOSISDBHSA-N 448.571 2.509 0 40 IFAB Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)n1 19767041 SWHGLEBHSJJTTE-SFHVURJKSA-N 447.561 2.932 0 40 IFAB O=C1c2ccccc2C(=O)N1CN(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O 19797657 CDJZJCDVMBOIJC-UHFFFAOYSA-N 425.444 2.996 0 40 IFAB C1CCc2c(c(N3CCOCC3)nc3sc4c(NC[C@H]5CCCO5)nnnc4c23)C1 19940233 GYKZRVSVHMRZFB-CYBMUJFWSA-N 426.546 2.941 0 40 IFAB CC[C@@H](C)NC(=S)N(CCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 20081315 OZIOZRFCUIBKPI-QGZVFWFLSA-N 430.618 2.952 0 40 IFAB CC(C)c1ccc(CCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 20108574 SAELSHQQIIGYQK-UHFFFAOYSA-N 430.570 2.945 0 40 IFAB CC(C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4ccc(F)cc4)c(=O)n3c2c1 23126110 MVYFHZPZUYCIAR-UHFFFAOYSA-N 437.475 2.717 0 40 IFAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 29422312 ZYPZCMDZSNEVQF-IBGZPJMESA-N 447.582 2.634 0 40 IFAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nncn3CCc3cccs3)nc2c1 29988452 PZZCHUJNGWIGLE-UHFFFAOYSA-N 427.511 2.898 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 30946572 RAHKQXJBOYCIOG-IBGZPJMESA-N 446.525 2.936 0 40 IFAB Cc1ccccc1CN1CC(=O)N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 31773815 OOQVTUMPDCDCEW-RBUKOAKNSA-N 449.370 2.772 0 40 IFAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCCN1C(=O)NC2(CCCC2)C1=O 32883039 AFPPPAIAOIQHAZ-UHFFFAOYSA-N 428.464 2.784 0 40 IFAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 32911901 QWVKYVMQPYYHTA-SFHVURJKSA-N 444.887 2.839 0 40 IFAB COc1ccc([C@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)O)=NC3=N2)cc1 38180687 WOVVFJRUWZRHOV-RTBURBONSA-N 435.484 2.785 0 40 IFAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)c1 38828479 YIAMWWRGSRWYIH-XEZPLFJOSA-N 425.489 2.610 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(CCSc3ccccc3)CC2)cc1 40139419 YZEPUUBDJLUJEH-UHFFFAOYSA-N 447.626 2.923 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1 58154950 OPWQAKZKBOBBKO-QZTJIDSGSA-N 426.561 2.645 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 59816873 AUGWQUXFVSSKIN-XJKCOSOUSA-N 425.489 2.610 0 40 IFAB CS(=O)(=O)c1cccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 65497230 ACYHDGXNPOFOTN-IBGZPJMESA-N 431.510 2.994 0 40 IFAB COC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204800 LFRBBDOFJDMYLL-NRFANRHFSA-N 430.524 2.557 0 40 IFAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(OC)c3)c2C)cc1 67322891 VLHGQLXPAKROGR-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB COC(=O)c1cc(S(=O)(=O)Nc2ncc(C)s2)ccc1I 95466394 GKIUUSXQDPAHFA-UHFFFAOYSA-N 438.268 2.644 0 40 IFAB C[C@@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccccc1F)S(C)(=O)=O 220323929 RCUJTSXFRNFCLU-LBPRGKRZSA-N 438.506 2.750 0 40 IFAB COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2OCCN2CCOCC2)CCN1C 257292203 QKLKGZAQAOGTIL-QFIPXVFZSA-N 439.556 2.535 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1nnc(SCC(C)C)s1)O2 260746983 ZCXCABAWFNTYAV-CQSZACIVSA-N 442.588 2.760 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3-c3ccc(O)cc3)C2=O)cc1 409023055 CEMGFGDHBYPNEF-MOSHPQCFSA-N 432.436 2.723 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(NC(C)=O)cc1)S(C)(=O)=O 409148826 SIABOZHFOGLOKM-UHFFFAOYSA-N 425.894 2.712 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 409388253 CQEODJAGUQKPFM-LLVKDONJSA-N 428.894 2.671 0 40 IFAB O=S(=O)(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(OC(F)(F)F)cc1 575616986 PDXBBYZXRZBXCU-VIFPVBQESA-N 444.357 2.780 0 40 IFAB COc1ccc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1 2056226400 QGYULFNHUCNLCM-GGAORHGYSA-N 432.467 2.650 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)cc1OC 780671 DJZVCKVFIASWDY-UHFFFAOYSA-N 447.557 2.739 0 40 IFAB CC[C@@H](CO)NS(=O)(=O)c1cc(-c2nn3c(C)nnc3c3ccccc23)ccc1C 2439699 OUFNXYJKLRSHCG-INIZCTEOSA-N 425.514 2.611 0 40 IFAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)NCc1ccco1 2643172 KWVPOWFJYGCUFB-UHFFFAOYSA-N 440.905 2.581 0 40 IFAB COC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3377662 DNLYGEKVQCGPLT-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 3458964 OTJFGGQKBKLXSX-UHFFFAOYSA-N 442.453 2.957 0 40 IFAB COc1cccc(Nc2nnc(SCC(=O)Nc3ccc(-n4cnnn4)cc3)s2)c1 9118160 ONUJRDAIFUDAGG-UHFFFAOYSA-N 440.514 2.997 0 40 IFAB CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)c2ccc(Cl)cc2)CO1 9186410 OQALIHCEGUOAMJ-UHFFFAOYSA-N 448.928 2.605 0 40 IFAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 9464024 IMMQVXDEHMHZCF-FCHUYYIVSA-N 434.492 2.604 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)c2ccccc2O1 9513039 HLHFDHCPMYJVQS-JOCHJYFZSA-N 427.464 2.633 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1c[nH]c2ccccc12 9513275 BYFWAHYGBNCDRA-CQSZACIVSA-N 431.539 2.947 0 40 IFAB CCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(-c4ccccc4)cn23)n(C)c1=O 9713445 OGSKQVSJGRDHFN-UHFFFAOYSA-N 445.479 2.843 0 40 IFAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CNC(=O)Cc1cccc2ccccc12 9836432 KUBVHAFDEJOQSE-UHFFFAOYSA-N 433.508 2.994 0 40 IFAB CN(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 9991937 LZMGVFJLFWUTMX-UHFFFAOYSA-N 435.977 2.873 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCCCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11998729 HGBDPWMWCRJUSY-LJQANCHMSA-N 445.541 2.693 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(Cl)cc2)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 12236981 FFUGSIKUXSYLHK-UHFFFAOYSA-N 439.859 2.817 0 40 IFAB CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(N4CCCC4=O)cc3)nc(N)c12 12557530 PJCGRMDWMRGWKU-UHFFFAOYSA-N 438.440 2.774 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@@H](C(=O)OC)c3ccccc3Cl)CC2)c1C 12929395 CCRMYICBWFCLIQ-LJQANCHMSA-N 447.919 2.744 0 40 IFAB CC(C)[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cnc2ccccc2c1=O 13555703 BYTGMUNLLUPDQO-QHCPKHFHSA-N 448.523 2.667 0 40 IFAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 13671822 ZZTKAHSSGOCZOR-INIZCTEOSA-N 448.541 2.686 0 40 IFAB CCc1ccc(NC(=O)Cc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)cc1 14229097 FUBIDQQLTJVRCP-UHFFFAOYSA-N 441.557 2.652 0 40 IFAB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1sc(-c2ccccc2)nc1C 15565688 UJJGSWICEVASTR-UHFFFAOYSA-N 432.483 2.958 0 40 IFAB COc1ccccc1CN1CCCC[C@@H]1C(=O)N1CCC(O)(Cn2ccnc2C)CC1 19287833 OCHYEYXODIVSOG-OAQYLSRUSA-N 426.561 2.608 0 40 IFAB COc1ccc(CCC(=O)N2CCC(c3nc4c(c(=O)[nH]3)CCN(C(C)C)C4)CC2)cc1 19448474 HRHFGDRLNRZAPA-UHFFFAOYSA-N 438.572 2.884 0 40 IFAB CCC(CC)C(=O)N1CCN(S(=O)(=O)c2cnc(-c3cccnc3)nc2C(C)C)CC1 19500210 VABXMAHPIAQNKX-UHFFFAOYSA-N 445.589 2.931 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 19709889 UOKVEWJXLDRVTM-LJQANCHMSA-N 439.560 2.898 0 40 IFAB CNc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3scnc3C)CC2)cn1 19746406 QCKFULBOJZCDAA-KRWDZBQOSA-N 428.562 2.830 0 40 IFAB COc1cccc(S(=O)(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)c1 19756154 GOXILSHOPWACKB-FQEVSTJZSA-N 444.557 2.946 0 40 IFAB COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 20024976 KKYBMVXQPWLGFV-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB Cc1cc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)s1 23327856 UWSUSAVMDDVRJA-JOCHJYFZSA-N 426.494 2.874 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 24831454 FYYNIQQDEDISAP-JOCHJYFZSA-N 445.585 2.520 0 40 IFAB COC(=O)c1cccc2c1CCCN2C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 25192469 AMXSYALKZHJQLM-UHFFFAOYSA-N 448.516 2.992 0 40 IFAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 32093615 XVATURWJKSYTLG-QGZVFWFLSA-N 434.294 2.565 0 40 IFAB CCOc1c(OC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC 33740590 NAEYXFZXYRPABB-ZSOIEALJSA-N 430.413 2.575 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1Cl 35432698 AKIXDCFNRDUABO-UHFFFAOYSA-N 435.908 2.887 0 40 IFAB CCCCNC(=O)CC[C@H]1N=C(O)N(CC2(c3ccc(OC)cc3)CCOCC2)C1=O 36580059 PHDWBIRGDILVJG-LJQANCHMSA-N 431.533 2.565 0 40 IFAB biogenic COC(=O)C(C)(C)NC(=O)c1ccc(I)c(Br)c1 40090314 ARAXIJYZYXKWOQ-UHFFFAOYSA-N 426.048 2.735 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(Cl)ccc1O)n2C 57681299 BCJHQPMCZDKIIL-UHFFFAOYSA-N 436.921 2.754 0 40 IFAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(C(=O)c2ccco2)CC1 62579954 ZDWDUTKSFZNGPK-UHFFFAOYSA-N 434.378 2.869 0 40 IFAB Cc1cc2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(C5CC5)C4)CC3)cc(C(F)(F)F)n2n1 72340855 QRHHUZQKTBDMPK-CQSZACIVSA-N 435.450 2.773 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccccc1F 72371921 BPVDGALPSDRNLB-HXUWFJFHSA-N 448.502 2.767 0 40 IFAB COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1F 89319570 JLYQHPOCEAKBDH-INIZCTEOSA-N 446.859 2.513 0 40 IFAB COc1ccc(CCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1Br 96122077 RHXADOVLSMVLKG-UHFFFAOYSA-N 442.331 2.809 0 40 IFAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242287 HDTPPOABLGTERO-FQEVSTJZSA-N 447.645 2.657 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc(C)cc(O)n3n2)cc1Cn1cccn1 100138940 JFNBOGWOTOTEGL-LJQANCHMSA-N 432.484 2.974 0 40 IFAB COc1c2c(cc3c1[C@H](C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)N(C)CC3)OCO2 100747840 SKNFOVSLASWEPF-LLVKDONJSA-N 427.297 2.832 0 40 IFAB biogenic CN1CCN(Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn12 107189294 UGJZAUQPRMNKDQ-QFIPXVFZSA-N 441.539 2.543 0 40 IFAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 113938823 GZBJUOAPGNFHTR-UHFFFAOYSA-N 428.514 2.523 0 40 IFAB CCOc1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 223017151 JDJCARYEGLSEIF-UHFFFAOYSA-N 448.541 2.686 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1Cl 223210906 AZDGRVQAEBJUPE-UHFFFAOYSA-N 439.940 2.590 0 40 IFAB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1ccccc1F)S(C)(=O)=O 225061381 VCAUAEIMQIXWMK-CQSZACIVSA-N 437.518 2.922 0 40 IFAB Cc1nonc1C(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257256173 KKJLFBOOBCUVRY-HNNXBMFYSA-N 443.891 2.746 0 40 IFAB CS(=O)(=O)N1CCC(Cc2cccc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 257282797 OVIVWOJULZTCIU-HXUWFJFHSA-N 429.542 2.864 0 40 IFAB COc1ccc(CNC(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 409024492 YVFLPVCWPNKHQB-UHFFFAOYSA-N 442.512 2.890 0 40 IFAB O=C(c1cnn(-c2ccccc2)n1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575414869 MNPALRNTNPGCCZ-IBGZPJMESA-N 430.917 2.923 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc23)N(C)C)cc1C(N)=O 575618817 CSUPGTNPBHPCCL-QGZVFWFLSA-N 433.555 2.590 0 40 IFAB O=C(c1cc(O)nc2ccc(F)cc12)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 606345456 IPXOQIHMUXFZNC-UHFFFAOYSA-N 449.891 2.880 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)N3CCC(CCO)CC3)ccc21 643583945 PQLTTXLSRNOAQV-UHFFFAOYSA-N 445.604 2.954 0 40 IFAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1199775360 AHMDSJKOGYLRDL-QFIPXVFZSA-N 426.448 2.919 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)Cc5cccs5)C4)nc32)cc1 1334178 WQSNOYGPWMKZBC-KRWDZBQOSA-N 448.552 2.882 0 40 IFAB COc1cc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cc(OC)c1OC 2376224 GIWKCZNKBSLHFI-UHFFFAOYSA-N 433.465 2.555 0 40 IFAB CCC[C@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6501506 HGPCTGZSDQMALQ-OAHLLOKOSA-N 449.552 2.941 0 40 IFAB CC(C)C[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 8924857 AMDKBGAYUPCYEF-MGPUTAFESA-N 442.537 2.978 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1 9005358 PFRDRMPZDPFLTG-OAQYLSRUSA-N 446.550 2.892 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O 9126109 CAPPVAZZCSPXMB-FQEVSTJZSA-N 433.823 2.656 0 40 IFAB CC(C)CCN1C(=O)c2ccc(C(=O)OCc3nc4ccsc4c(=O)[nH]3)cc2C1=O 9465186 SGXSMTONFVJHLQ-UHFFFAOYSA-N 425.466 2.984 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3ccnc3)cc2)cc1 9506900 YWSLICKHQLRQRE-UHFFFAOYSA-N 426.498 2.707 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 9716611 ASXNWLHDNRTZIG-UHFFFAOYSA-N 438.571 2.940 0 40 IFAB COc1ccc(-c2nonc2NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1OC 11917035 JSFXLHXNVNMTEZ-UHFFFAOYSA-N 433.424 2.860 0 40 IFAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 12163021 KDIZNYQYEANHKF-RCZVLFRGSA-N 440.588 2.719 0 40 IFAB COC(=O)c1c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)sc(C(C)C)c1C 12323331 UOKPOMHASWJSQC-GFCCVEGCSA-N 439.559 2.625 0 40 IFAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)N[C@H](Cc1ccccc1)C(C)=O 12633775 PDLJSNBGCUDJNU-OAQYLSRUSA-N 429.948 2.595 0 40 IFAB Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccc1F 12879610 UZZPRAWKYYQBKY-UHFFFAOYSA-N 448.516 2.622 0 40 IFAB CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 13085178 MVNSKNVXRCORFV-JOCHJYFZSA-N 440.519 2.994 0 40 IFAB C[C@H]1c2cccn2CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 13164193 OUSCECIGUOYYLK-HNNXBMFYSA-N 436.965 2.941 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1COc2ccccc2O1 13519163 OMNIZKDRKUUILD-FQEVSTJZSA-N 432.498 2.648 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 13679738 UGUIUPKYVZITCT-AWEZNQCLSA-N 430.954 2.605 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(F)c(F)c(F)c(F)c1F 14678859 JEUSICGIJRWNQY-UHFFFAOYSA-N 441.356 2.836 0 40 IFAB COc1cc(C[C@H]2CC(CNCc3ccc4c(c3)OCO4)=NO2)c(OC)c2c1OCO2 15085882 ZAFCEKSELPGFSL-INIZCTEOSA-N 428.441 2.638 0 40 IFAB CSc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 15967842 KCSUJLUMFXXGAD-UHFFFAOYSA-N 433.599 2.617 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC(c1ccccc1)c1ccccc1 18023464 HZNTZNHRSDJKLU-PMACEKPBSA-N 434.492 2.611 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2cnccn2)CCO1 19580837 BAWDYYSXRIVCFR-VWLOTQADSA-N 430.508 2.686 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[C@H]4CCCO4)nc32)c1 19698619 PDDGZTQCDWEQIZ-LJQANCHMSA-N 438.528 2.801 0 40 IFAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCN2CCOCC2)cc1 20230937 AHIRZCQIILQGPR-QJOMJCCJSA-N 446.551 2.706 0 40 IFAB CCN1CCN(C(=O)CCCCn2c(=S)[nH]c3c([nH]c4ccc(OC)cc43)c2=O)CC1 20331586 QQLYWSLRTFYLKA-UHFFFAOYSA-N 443.573 2.883 0 40 IFAB CCCN1C(=O)[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)N=C1c1ccccc1 20622648 IHBMRUYNNZKBJX-GOSISDBHSA-N 425.432 2.923 0 40 IFAB Cc1nc(SCC(=O)N(C)Cc2ccccc2Br)sc1CC(N)=O 22486765 MLWHSDOFPYOAAG-UHFFFAOYSA-N 428.377 2.993 0 40 IFAB CCN(CC)[C@@H](CNC(=O)CN(c1ccccc1C)S(C)(=O)=O)Cc1ccccc1 23197333 BHTVAOCHTYJDMW-OAQYLSRUSA-N 431.602 2.830 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 23873358 ZJWPHPDVNAOILN-UHFFFAOYSA-N 437.569 2.969 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 24738609 JPDPUQNHGRVURF-NRFANRHFSA-N 443.569 2.862 0 40 IFAB COc1ccc(/C=C/C(=O)N(C(C)C)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 24775083 PNZBNVJOBYQMTD-PKNBQFBNSA-N 436.574 2.909 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1S(=O)(=O)NC(C)(C)C 25172996 YFHHLXQWJQVJQD-UHFFFAOYSA-N 445.541 2.933 0 40 IFAB Cc1cccc2c(=O)n(CCCC(=O)O[C@H](C)C(=O)NCc3ccc(F)cc3)cnc12 26951792 NUYBBOWEKSFWON-MRXNPFEDSA-N 425.460 2.872 0 40 IFAB COc1c(C)cnc(CN2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(CO)cc34)CC2)c1C 31808530 ZUTKFESAYLGWIX-JOCHJYFZSA-N 438.528 2.624 0 40 IFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CN(C)S(=O)(=O)c1cccs1 32895257 RWZBYHONNGXORS-UHFFFAOYSA-N 428.486 2.772 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1OC 33687487 ODLLUANZERBPIA-LLVKDONJSA-N 443.319 2.772 0 40 IFAB CCN(C(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 34867978 HLXVCLGTBGSJTO-KRWDZBQOSA-N 448.614 2.551 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(Cl)cc2C)cc1 44802796 ZNQUAZBRNBWQDX-UHFFFAOYSA-N 435.977 2.926 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)C(C)C)CC2)[C@H]1c1ccc(OC)cc1 49605841 ADFFSZVJACTIJC-IFMALSPDSA-N 429.561 2.712 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl 57414944 QCSLXBBKJHXYLQ-NRFANRHFSA-N 440.931 2.943 0 40 IFAB CN1CCC(N(C)C[C@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccccc2)CC1 58393240 KFIQZDNQCPWLPC-QHCPKHFHSA-N 436.604 2.577 0 40 IFAB CO[C@@H]1/C=C/[C@@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@H](C)CC/C=C/1C 67913523 XBLHNZRXAORYAC-NMBLPJAYSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro Cc1ccc(OCC(=O)N2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)cc1 96145485 GTVKASBVUOLTCI-FYYLOGMGSA-N 442.581 2.869 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1c2sc(=O)[nH]c2SC[C@@]1(C)C(N)=O 96306078 JBIZMGMZXRGJME-RNODOKPDSA-N 444.538 2.528 0 40 IFAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)nc(C)n1 97131274 WMZZKMRTFFCDBE-UHFFFAOYSA-N 425.352 2.675 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223546575 MPXTYAUATSTAKL-INIZCTEOSA-N 430.526 2.982 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(OC)ccc3OC)n2)c(OC)c1 223780286 JTHKFRQNJSSMSX-UHFFFAOYSA-N 449.485 2.592 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 223875485 OYMJLFTXFDGKAE-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C(=O)N1CCOCC1 223893555 SPJVNJDXISHBJG-UHFFFAOYSA-N 438.546 2.841 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1C(=O)N1CCCCC1 224033466 TYGNZDLJVLYBTO-UHFFFAOYSA-N 436.505 2.818 0 40 IFAB CC[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(OC)c1 224113255 SYSDBIJIVVISBG-SFHVURJKSA-N 436.530 2.746 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C(F)(F)F)c2)cc1OC 224123633 NQCPTDLCOSRZSS-UHFFFAOYSA-N 446.447 2.660 0 40 IFAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1OC 225162064 ORTHLWFOTZGHFY-UHFFFAOYSA-N 448.526 2.595 0 40 IFAB CCOc1ccc2[nH]c(C(=O)N3CCC4(CC3)C[C@H](N(C)C)[C@@](C)(O)CO4)c(C)c2c1 257248579 JEHNLTCVLICIEF-REWPJTCUSA-N 429.561 2.951 0 40 IFAB COCC(=O)N1CCC(C)(C(=O)N2CCC[C@]3(C[C@@H](Oc4cccc(F)c4)CO3)C2)CC1 257250019 JKRKVLGJHQKKQM-YKSBVNFPSA-N 448.535 2.630 0 40 IFAB CNc1cc(C)nc([C@]2(C)CCCN(C(=O)[C@](F)(Cc3ccccc3)NC(C)=O)C2)n1 257320934 VZIYFNMOUQCAFQ-PKTZIBPZSA-N 427.524 2.751 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)CC1 257340798 ZHOWUHKMMMFALQ-PZJWPPBQSA-N 428.529 2.872 0 40 IFAB Cn1nccc1[C@@H]1CN(C(=O)c2ccccn2)C[C@]12CCCN(Cc1ccccc1)C2=O 306132385 LHCCEHINOUDRFU-NBGIEHNGSA-N 429.524 2.864 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704066 JIXDMTMTLNQLIK-GFCCVEGCSA-N 440.905 2.913 0 40 IFAB CC(C)n1nccc1[C@H]1CN(C(=O)c2cc[nH]n2)C[C@]12CCCN(Cc1cccnc1)C2=O 585106436 GULBABKHXIPBMX-NTKDMRAZSA-N 447.543 2.631 0 40 IFAB C[C@]1(c2cccc(CNC(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)c2)NC(=O)NC1=O 1563887760 SYPIFAYZOLTECY-PGRDOPGGSA-N 442.903 2.678 0 40 IFAB CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O 2246776 HZXWPYLZVMCYFR-SJLPKXTDSA-N 434.514 2.932 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1 3547280 JHOXPYVTUBFGOC-UHFFFAOYSA-N 432.542 2.614 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc(C)cc3)cc2c1 6196604 ICZHNBXDTMXDEW-UHFFFAOYSA-N 430.526 2.809 0 40 IFAB COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccccc3)nn2)cc1 8297720 JXPYGXXTVTUUDQ-XJUOHMSHSA-N 431.540 2.981 0 40 IFAB biogenic,in-vitro O=C(O)Cc1csc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 8718250 ORKLENKBRZLGQN-UHFFFAOYSA-N 443.934 2.851 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2C)c1 8755318 DCJGAGFFKTWRMA-CQSZACIVSA-N 425.576 2.774 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CC(C)C)c1ccc(Br)cc12 8843716 YHEJRLRWACPDST-KRWDZBQOSA-N 439.335 2.607 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC12CC3CC(CC(C3)C1)C2 9245540 MJDLBKJJUWCOGM-UHFFFAOYSA-N 446.613 2.973 0 40 IFAB NC(=O)c1cnn(-c2ccccc2)c1NC(=S)NC(=O)c1ccccc1Br 9562298 RQWWPUXBYIHXKZ-UHFFFAOYSA-N 444.314 2.861 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 9578985 DTBQAFMRVQZPHN-DEOSSOPVSA-N 429.480 2.821 0 40 IFAB Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc2n1 9665513 MFJYDMDZQMGLMR-ZIAGYGMSSA-N 442.545 2.660 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5Cl)CC4)ncnc32)cc1 9850110 MQHZFHNPRSSWBK-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9963393 BDJHNADIISPXIW-QFIPXVFZSA-N 427.432 2.783 0 40 IFAB Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c1[C@H](C)CC2=O 10712755 OGQXHYVYAYLVGR-OAHLLOKOSA-N 429.494 2.925 0 40 IFAB CCCc1nc(SCC(=O)Nc2cccc3ccccc23)c2c(=O)n(C)c(=O)n(C)c2n1 11758078 XNYKCGZTASXVMW-UHFFFAOYSA-N 449.536 2.864 0 40 IFAB O=C1CN(C2CCCCC2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 12000229 HRWHBUXJMLSVBR-SJORKVTESA-N 427.364 2.596 0 40 IFAB Cn1nc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cc1C(F)(F)F 12088921 GHGGQLWSDNIYAV-DBIVSCPCSA-N 433.434 2.987 0 40 IFAB CN(C)CC1CCC2(CC1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O2 12122535 ZKUMSBGRDXCISF-KPRXVCGWSA-N 434.602 2.723 0 40 IFAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1nc(C)c2ccccc2c1=O 12185190 ZFCJKTNZKDONFP-INIZCTEOSA-N 449.536 2.585 0 40 IFAB C[C@H](C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)N1C(=O)CSC1=O 12219775 DQPZBSOVHXTOIN-WBMJQRKESA-N 425.514 2.752 0 40 IFAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 12378219 HCFCAOHUYQIYTQ-HNNXBMFYSA-N 441.509 2.776 0 40 IFAB CCn1c(=O)n(CCC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c2ccccc21 12458958 HXLWAJZKULTKDK-MRXNPFEDSA-N 449.507 2.937 0 40 IFAB COc1ccc([C@@H](CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)NC(C)=O)cc1 12817213 GNPLXZVMKYGCMI-OAQYLSRUSA-N 439.512 2.845 0 40 IFAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(-n2cncn2)cc1 12870904 LFRUQEINHWUUJK-CYBMUJFWSA-N 433.921 2.662 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 13097737 QDAVZOFNAISQOC-HXUWFJFHSA-N 433.434 2.647 0 40 IFAB CC(=O)c1cccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 13675164 UWQRYAQJWUGFFS-UHFFFAOYSA-N 438.546 2.844 0 40 IFAB COc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 15381313 BTLOGQROUSOXHK-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1 16477119 WUAYGKZFQSTTNR-WOJBJXKFSA-N 432.432 2.798 0 40 IFAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 16850891 CTAWWZAEJGKBFY-GOSISDBHSA-N 428.558 2.974 0 40 IFAB COc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1S(=O)(=O)N1CCOCC1 16961359 CFINZDYFYVUPDW-UHFFFAOYSA-N 430.526 2.777 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2cccnc2)CCO1 19591845 YYCVWFVTEPCLBQ-DEOSSOPVSA-N 435.549 2.939 0 40 IFAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)ccc21 20214974 RNKGSSAQYOXWPG-UHFFFAOYSA-N 442.585 2.971 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](c3cccs3)N(C)C)C2)s1 27679733 IREXXJYXJUZGEI-CVEARBPZSA-N 441.644 2.938 0 40 IFAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 31299711 WLZTXZIFXZGJIF-UHFFFAOYSA-N 441.797 2.854 0 40 IFAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 31812830 UBFMNQJCTOBLJD-UHFFFAOYSA-N 441.915 2.634 0 40 IFAB CN(C)C(=O)CN1CCN(Cc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)CC1 32543198 FFMYSHBCPYTUHG-UHFFFAOYSA-N 445.976 2.511 0 40 IFAB CCOC(=O)N1CCC(NC(=O)Cc2cc(OC)c(OC)cc2Br)CC1 32748034 WSCIMMNODDUHOO-UHFFFAOYSA-N 429.311 2.746 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)CC1 40080563 NSGGEUJRCHNXQH-UHFFFAOYSA-N 444.601 2.673 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 40087372 BRQAOHPTEZYQRZ-OAHLLOKOSA-N 425.476 2.513 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)CC2)c(F)c1 58170339 KOOPVTHSYRXFPY-MRXNPFEDSA-N 438.503 2.914 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)NCc4ccc(C)c(C)c4)c(=O)n3c(C)n2)cc1 67319408 VUMCTYJGXOVERE-UHFFFAOYSA-N 431.496 2.808 0 40 IFAB Cn1nc(N2CCC[C@H](C(=O)Nc3c(-c4ccccc4)nc4ccccn34)C2)ccc1=O 77100981 HVUHVZMYBSXNII-SFHVURJKSA-N 428.496 2.950 0 40 IFAB Cc1nc(Cn2cnc(-c3nc(C(=O)N4CCCN(C)CC4)c4ccccn34)c2)cs1 96155051 NSVVNHKFIWXEKK-UHFFFAOYSA-N 435.557 2.789 0 40 IFAB COC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 96483601 XNXLWTPYOUINDH-SXGWCWSVSA-N 430.844 2.993 0 40 IFAB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 109119287 HYEHEZLHXORKSO-XFFZJAGNSA-N 435.820 2.627 0 40 IFAB NCC1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218238782 DTWOKSAOLIYTED-HZPDHXFCSA-N 429.767 2.946 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222592790 LISCJKRZCVCLTN-UHFFFAOYSA-N 426.498 2.939 0 40 IFAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 223846122 WNVBZRJWWUMRTR-UHFFFAOYSA-N 432.498 2.970 0 40 IFAB C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 223867426 QNDCCTOXDJYRSV-LLVKDONJSA-N 430.935 2.606 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1OC 224042997 IHOFSXZAHBUQNI-AWEZNQCLSA-N 430.592 2.650 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC[C@@H](C)c1ccccc1 225136227 FRKDGJMSDBLFDT-GOSISDBHSA-N 446.569 2.569 0 40 IFAB Cc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 225460086 RWRUWPQXEJIERZ-IBGZPJMESA-N 445.585 2.703 0 40 IFAB CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225526579 NEBHZZMUQBMMIE-UHFFFAOYSA-N 427.526 2.925 0 40 IFAB CCc1ccc(CC)c(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 225700115 PMIFDLWEGIHKKL-UHFFFAOYSA-N 443.613 2.986 0 40 IFAB O=S1(=O)CC[C@H](N(Cc2cccc(F)c2)C[C@H](O)COc2ccc(Cl)cc2)C1 245228979 KKDTWOFEPUNPTQ-OALUTQOASA-N 427.925 2.908 0 40 IFAB CN(C(=O)c1ccncn1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257307547 SZELABHNSWJCTF-GTTYTOFKSA-N 425.529 2.546 0 40 IFAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 257310882 UHALJQJGZQHZGL-UHFFFAOYSA-N 430.509 2.970 0 40 IFAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 260888539 BFFMOJWNCYTCAV-OALUTQOASA-N 432.542 2.804 0 40 IFAB COc1ccc(CN[C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(-c3ccccc3F)n2)cc1 604382285 NDJLPVDDWVOGJZ-LUGTWXOSSA-N 437.515 2.982 0 40 IFAB biogenic,in-vitro O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2c(Cl)cccc21)Nc1cccc(F)c1 1775968637 IGYSHDSBQLFWLD-OAHLLOKOSA-N 431.851 2.773 0 40 IFAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 1692370 ZSEFCWQTKCCXDW-UHFFFAOYSA-N 436.376 2.999 0 40 IFAB COC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 2634006 JJNBSPHWTJPSBR-GFCCVEGCSA-N 430.844 2.889 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3235139 HMILPLKPRZMHCI-UHFFFAOYSA-N 444.465 2.562 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)COCC(=O)N1CCN(c2ccccc2F)CC1 4711109 YVWJGMQTCWLNNE-LJQANCHMSA-N 427.520 2.628 0 40 IFAB CC[C@H](OC(=O)[C@@H](CCSC)NC(=O)c1ccccc1)C(=O)Nc1nnc(C)s1 5225772 FJXSUUDNDQGLGD-CABCVRRESA-N 436.559 2.659 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)CC1 6577640 YHVSMYOXALZXSL-UHFFFAOYSA-N 440.909 2.695 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1cccc(S(=O)(=O)N2CCOCC2)c1 7813546 RYMYTVITZIESEU-IAGOWNOFSA-N 426.604 2.730 0 40 IFAB Cc1cc(C)cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(=O)[nH]2)c1 8684060 AHFWHKDUOLXMAS-UHFFFAOYSA-N 429.523 2.950 0 40 IFAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCCCC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 8694637 BTTCODLPLQKRFY-RDPSFJRHSA-N 433.464 2.990 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(=O)oc2c1 8877043 YGEOJCOSVJBNDW-SJORKVTESA-N 434.492 2.850 0 40 IFAB biogenic COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1C 9253404 BTWZVSQWTWOZHM-UHFFFAOYSA-N 437.481 2.815 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)c1 9435646 AMMSVHBCCZWGEL-UHFFFAOYSA-N 430.501 2.964 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 9492185 JDUAKAGCPYLCDJ-IBGZPJMESA-N 429.542 2.644 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O 9516377 ASPIBPJAXXYSRT-QHCPKHFHSA-N 429.484 2.653 0 40 IFAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(F)cc1 9519628 HCYOAOMWPAYAFL-UHFFFAOYSA-N 443.500 2.815 0 40 IFAB C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1ccc(N2CCOCC2)cc1 9612660 FXKXLYSZRXIDKM-OAHLLOKOSA-N 430.578 2.996 0 40 IFAB COc1cc(C(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc(OC)c1OC 9626972 ZEZAHXHPFVRQTI-UHFFFAOYSA-N 443.481 2.825 0 40 IFAB C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O 12774209 RXHQPZPXTWONPI-YGRLFVJLSA-N 445.526 2.607 0 40 IFAB O=C(COC(=O)c1ccc(OC(F)F)cc1)NCC1(N2CCOCC2)CCCCC1 13010906 GEWJJBLAPVUASR-UHFFFAOYSA-N 426.460 2.596 0 40 IFAB CCOC(=O)C1=C(CN(C)CC(=O)Nc2ccc(F)cc2)NC(=O)N[C@@H]1c1cccs1 13038099 LCYICQQMMMLGPQ-LJQANCHMSA-N 446.504 2.629 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)N1CCCCCC1 13624015 HDRRAQURQIVQIN-GOSISDBHSA-N 433.574 2.617 0 40 IFAB O=C(Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)Nc1ccc(CCO)cc1 13692479 GHLQQKNFILACPP-UHFFFAOYSA-N 435.502 2.799 0 40 IFAB CC(C)[C@]1(C)NC(c2nc3ccccc3cc2C(=O)N2CCC3(CC2)OCCO3)=NC1=O 13729710 ILEABXXYFFKJAZ-QHCPKHFHSA-N 436.512 2.505 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)cc2N1 19451326 XHFPQTXVKJHYOC-KNCOVGOOSA-N 448.511 2.577 0 40 IFAB COC(C)(C)C(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700958 GPDQLALRQPPHPS-HNNXBMFYSA-N 443.523 2.586 0 40 IFAB COc1ccc(CNC(=O)[C@H]2CN(C(=O)CCc3ccccc3)Cc3cn(C)nc32)cc1 19701513 GPHYWYZGTCORQZ-QFIPXVFZSA-N 432.524 2.804 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2CC(=O)Nc2ccc(F)cc2)n1 19709765 DMQRVNSMJBXIHQ-IBGZPJMESA-N 428.512 2.801 0 40 IFAB CN1CCc2nc([C@H]3CCCCN3C(=O)COc3ccc(F)cc3F)nc(N(C)C)c2C1 19710368 DIECFUBSMCEPCQ-LJQANCHMSA-N 445.514 2.941 0 40 IFAB Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1F 19741627 RMBKEGMNIWVTHN-OAHLLOKOSA-N 432.521 2.710 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CCN(C)c3ccc(F)cc3)C2)ncc1C(=O)N(C)C 19763145 JYWMAFAFHDDDEM-QGZVFWFLSA-N 427.524 2.858 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 20011946 AZIFPNWYMCDNDI-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NCc1cccc(Cl)c1 22912389 LIGVMDDOIXPWTA-UHFFFAOYSA-N 435.355 2.866 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 24363859 XIRJXLNJQWAFSA-UHFFFAOYSA-N 442.459 2.999 0 40 IFAB CC[C@@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)Nc1ccccc1 24835005 LWJFPYFQENRSAP-MRXNPFEDSA-N 445.522 2.872 0 40 IFAB O=C(Nc1ncc(Br)s1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223535 VMCNRBDYSXCDMA-LLVKDONJSA-N 430.349 2.945 0 40 IFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 29993191 RDTZDVRMJBQRDN-QGZVFWFLSA-N 426.427 2.510 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc4c(c2)OCCO4)C1=O)C3 30903989 NKHOBZSGIXRIAJ-HXUWFJFHSA-N 433.464 2.638 0 40 IFAB biogenic COc1cc(C(=O)O[C@@H](COCCC(C)C)CN2CCOCC2)cc(OC)c1OC 31771396 YOKPRDAUBGOISU-GOSISDBHSA-N 425.522 2.633 0 40 IFAB in-man COC[C@@H](C)NC(=O)c1nc(-c2ccccc2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616460 XWCIARNQBSOOBS-PBHICJAKSA-N 442.541 2.531 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCO3)C(C)C)cc1 32889185 XNCTWAUSUWSCOR-VLIAUNLRSA-N 434.514 2.604 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)n1 33691346 INSDOQFLTJPFJP-KPKJPENVSA-N 437.524 2.985 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCCN2CCCCCC2=O)cc1 36674321 WNPJXIZEIUIJLE-FQEVSTJZSA-N 437.606 2.597 0 40 IFAB COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)N[C@H](C)c2ccccc2)CC1 43943676 GWZWXOJRNBQXRG-QGZVFWFLSA-N 438.528 2.933 0 40 IFAB COc1cc(C(=O)Nc2cccc(CN3CCOCC3)c2)ccc1OCC(=O)NC(C)C 48311845 IFLMDMPQWYZGFB-UHFFFAOYSA-N 441.528 2.683 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)cc1OC 57526036 HWCOLBOAVOOINI-UHFFFAOYSA-N 425.485 2.865 0 40 IFAB CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 61717704 SQUUKKPAXCRMNW-KRWDZBQOSA-N 439.516 2.506 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCCSc2nnc(NC(=O)c3ccccc3)s2)cc1 95482161 DAZUPEIGLRKATL-UHFFFAOYSA-N 441.538 2.946 0 40 IFAB O=C(NN1CCCNC1=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 95996773 YRCOEEXHLLYXEW-UHFFFAOYSA-N 442.419 2.566 0 40 IFAB CC(C)NC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96145881 OSUDNWWDOMLQAM-OALUTQOASA-N 444.557 2.616 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220640796 VHAXQISUXXSHGI-NRFANRHFSA-N 431.558 2.589 0 40 IFAB CCCOc1ccc(N(CC(=O)Nc2nnc(SCC)s2)S(C)(=O)=O)cc1 223141142 RECXBTNJHFDDKL-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223493189 AAEPWMPNYQHXKZ-OAQYLSRUSA-N 435.524 2.659 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC1CCCCCCC1 225069362 FIGWFXYYDQJZJX-UHFFFAOYSA-N 438.590 2.878 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)c1 225761670 CIDRQZNHFFJTMJ-UHFFFAOYSA-N 448.932 2.776 0 40 IFAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CCc3nc4ccc(Cl)cc4[nH]3)C2)ncn1 257204890 AWSRHOKQKYQSKN-JOCHJYFZSA-N 442.951 2.737 0 40 IFAB CN([C@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 260886134 FIGCDVQFVHSGDS-QFIPXVFZSA-N 429.586 2.921 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1NC(=O)CC 408699527 XOSUJSOTINQEPW-UHFFFAOYSA-N 436.530 2.972 0 40 IFAB Cc1ccc(NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1NC(=O)c1ccncc1 521498470 WRIWAIZTYPEXNT-UHFFFAOYSA-N 429.440 2.884 0 40 IFAB O=C(C1CC(O)C1)N1CCC2(CC1)C[C@@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103963 XDQDUBVXILJDPV-ORFBVSJDSA-N 426.557 2.707 0 40 IFAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCNC(=O)C3)ccc21 643575514 LJDOZDPLFVGPSS-UHFFFAOYSA-N 428.577 2.786 0 40 IFAB O=C(c1cccc(F)c1)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@@H]2C1 1549160491 DXUZXKULSNJJSY-SFHVURJKSA-N 428.439 2.676 0 40 IFAB Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1 3366647 YPRRPROORZJEAH-UHFFFAOYSA-N 427.482 2.589 0 40 IFAB CCOCCCn1c(SCC(=O)N[C@@H](C)COC)nc2sc(C)c(C)c2c1=O 4790117 OCVCQUMUCJVQEE-LBPRGKRZSA-N 427.592 2.745 0 40 IFAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 8777035 LAEZTGDWWXJDTA-FQEVSTJZSA-N 437.519 2.954 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CSc2ccccc2)c1 8825912 AAZUFGFFGUKTNR-UHFFFAOYSA-N 442.946 2.864 0 40 IFAB CS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccccc2Cl)C1 9421817 YVZWEYLIQKZKBE-KRWDZBQOSA-N 427.935 2.822 0 40 IFAB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 9525914 MJLVZOFWBOGLQW-INIZCTEOSA-N 443.887 2.632 0 40 IFAB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 9699620 RKVXDJYKAGNZFW-HNNXBMFYSA-N 426.897 2.970 0 40 IFAB CCCCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4OC)c(C)c(C)n23)n(C)c1=O 9829484 KDVWEOZMLRQURP-UHFFFAOYSA-N 439.516 2.963 0 40 IFAB CCN(CC)CCN1C(=O)[C@@H]2CN(Cc3ccncc3C)C[C@]2(C)NC(=O)c2ccccc21 12231892 OITASPKLAMBEJK-NVQXNPDNSA-N 449.599 2.699 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc2c1OCCO2 12601895 MZQPPDXUMOSMBF-VOTSOKGWSA-N 435.480 2.986 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@@H]2CCCC[C@H]21 12888221 VKUASLQPFNVVMI-NZQKXSOJSA-N 445.629 2.663 0 40 IFAB CCCCN(C(=O)[C@@H]1COc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12917379 MVBRINCXOJPTFT-IBGZPJMESA-N 448.523 2.552 0 40 IFAB O=C(NCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 13127872 VBGUXTVILJAYNN-DOTOQJQBSA-N 441.429 2.745 0 40 IFAB COCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 13496302 ZHYXZOLSCKANPM-FQEVSTJZSA-N 435.557 2.841 0 40 IFAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(C(=O)c2ccco2)CC1 13504149 QOKGKAKJGJVMCO-FQEVSTJZSA-N 438.532 2.967 0 40 IFAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 14095009 NSIJDFXFCREITM-KRWDZBQOSA-N 426.498 2.537 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15967975 BDYLUWBKBGWIEL-PDFGSZSQSA-N 449.576 2.711 0 40 IFAB biogenic Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NCc3cc(-c4ccccc4)on3)c2C)n1 16849718 UGKPUJIJLARXDD-UHFFFAOYSA-N 432.484 2.785 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(O)n3)CC2)cc1 19022308 NFSFSKYABRBDSJ-UHFFFAOYSA-N 434.500 2.775 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1CN(C(C)=O)CC2 19710538 HNELXVFRAULFQN-HXUWFJFHSA-N 435.572 2.988 0 40 IFAB Cc1nc(C2CCN(C(=O)CN(C)Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2C 19739315 IXWLKUJHMUOINY-UHFFFAOYSA-N 439.535 2.671 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c(C)c1 19938279 XQSHQWZBFRIAGE-UHFFFAOYSA-N 445.585 2.865 0 40 IFAB C[C@@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1ccc2ccccc2c1 22802247 FKNDOFYQBWGCHH-OAQYLSRUSA-N 444.579 2.951 0 40 IFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 25526780 DKGNIHAOTKJSCU-HUUCEWRRSA-N 432.498 2.743 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCc4ccccc43)CC2)c(C)c1 25677648 WOBYYMHYWONAPX-UHFFFAOYSA-N 427.570 2.589 0 40 IFAB Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(=O)n(-c2ccccc2)n1C 30751622 JMGXXKNETBWVQF-UHFFFAOYSA-N 434.905 2.762 0 40 IFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccccc1OCc1ccccn1)CC(=O)N2 36358060 ZEBSIYDBAYSDAF-KRWDZBQOSA-N 428.452 2.712 0 40 IFAB CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCN(c4ncccn4)CC3)c2)c1C 40121404 GWQLAFIFGCHBMN-UHFFFAOYSA-N 435.488 2.502 0 40 IFAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCN1CCCS1(=O)=O 40149034 ZHHVVAKIPXUQIK-UHFFFAOYSA-N 438.981 2.586 0 40 IFAB CCCCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1=NCCS1 48263597 WSDACQJPUOTKFC-HNNXBMFYSA-N 427.567 2.958 0 40 IFAB O=c1c(=O)n(Cc2nc(-c3ccc4c(c3)OCO4)no2)ccn1Cc1ccc(Cl)cc1 49407704 KXTMQEOOJROYLH-UHFFFAOYSA-N 438.827 2.539 0 40 IFAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C(=O)C(C)(C)O)nc21 72371112 ZRYPXGFDTSLPLF-GOSISDBHSA-N 438.528 2.707 0 40 IFAB CC(C)Cn1cc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C(F)F)n1 89496746 OIVSPMIHWRGGLY-NSHDSACASA-N 425.461 2.542 0 40 IFAB COC(=O)c1nc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)sc1-c1cccc(F)c1 95476483 YGKYQBGJNVHTLZ-UHFFFAOYSA-N 445.472 2.994 0 40 IFAB COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccoc4)CC3)O2)c1 96036631 UFEGVWCAVHYILC-OAQYLSRUSA-N 436.512 2.691 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c2ccccc2O1 103367236 KMSMQGDXTUHNOG-GHTZIAJQSA-N 425.485 2.846 0 40 IFAB C[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@@H]1C[C@H]2CC[C@H]1C2 104657652 VPAVPLGMHYZZAC-OVWQWFNUSA-N 432.590 2.697 0 40 IFAB Cc1ccccc1CN(C(=O)CN(c1ccccc1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C 225482673 OFAJAAYISAYPKM-IBGZPJMESA-N 445.585 2.703 0 40 IFAB CC(C)S(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@H]3CC34CCC4)nc2C1 249682108 BXAJVLVYKLQSJU-SJLPKXTDSA-N 448.589 2.522 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cc[nH]n3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 257201540 AIARMVPMQCPRDS-INIZCTEOSA-N 434.475 2.756 0 40 IFAB CCNC(=O)N1CC[C@H](c2cc(O)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)C1 257283680 OZIRMDABPSTHRT-LBPRGKRZSA-N 428.880 2.859 0 40 IFAB CS(=O)(=O)N1CC[C@H](C(=O)NCCCN2CCCc3ccccc32)Oc2ccccc21 260512179 VGFHUSYWVLLPGP-JOCHJYFZSA-N 443.569 2.563 0 40 IFAB COc1ccc(CN2CCO[C@H](Cn3nnc4c(Nc5ccccc5)ncnc43)C2)cc1 306131213 JYRUCQFLSDAJEM-FQEVSTJZSA-N 431.500 2.875 0 40 IFAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 408625826 UHAVBISDKYASGF-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB Cc1nc(N2CCC(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc(C(F)(F)F)n1 575614552 WKTYKSVIEBNODU-LLVKDONJSA-N 431.459 2.802 0 40 IFAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccc(OC(F)F)cc3)C[C@H]12 1549160118 ASNDUQYUFSKQIN-SFHVURJKSA-N 435.471 2.696 0 40 IFAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(Cl)c(C)c4)C[C@@H]23)n1 1549162766 VRCBLBPZEWSLTM-QGZVFWFLSA-N 442.907 2.674 0 40 IFAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 930422 AOVBOKHSJNWQNG-UHFFFAOYSA-N 449.536 2.911 0 40 IFAB O=C(NCCCC(CCCNC(=O)c1ccccc1)(C(=O)O)C(=O)O)c1ccccc1 4783210 GTXPESDVJPVJHW-UHFFFAOYSA-N 426.469 2.562 0 40 IFAB CCOc1ccc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 8726522 XIJHPIROBMDALU-UHFFFAOYSA-N 428.485 2.974 0 40 IFAB CCCCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(CC)CC)c2C)cc1 8755160 OVCFMHOAUSCIDE-UHFFFAOYSA-N 443.591 2.946 0 40 IFAB Cc1ccc(O)c(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c1 9095836 YUZWLHGWCNIPRR-UHFFFAOYSA-N 429.477 2.880 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@@H]3c1cccc(OC)c1OC 9303102 VDPLZFWUFCYWOH-HXUWFJFHSA-N 438.480 2.926 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9378381 FHLZDUSCHZMBMH-INIZCTEOSA-N 432.571 2.623 0 40 IFAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1ccc2c(c1)OCO2 9828692 AMVUBJYJOJSBOX-UHFFFAOYSA-N 431.495 2.532 0 40 IFAB C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc2c(c1)OCO2 9875388 UWOQVQSIPSUNQO-CQSZACIVSA-N 449.554 2.564 0 40 IFAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(N)=O)cc1 10146307 TVYBHVNARCDLJG-UHFFFAOYSA-N 441.513 2.715 0 40 IFAB Cn1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c1nc1n2CCN1Cc1ccco1 10251951 AGWKUJFQIXKDNU-UHFFFAOYSA-N 446.294 2.865 0 40 IFAB O=C(COc1ccccc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11914255 LGXOHDMTCRVGSE-CYBMUJFWSA-N 428.304 2.637 0 40 IFAB Cc1nc(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH]c(=O)c1C 12113679 MLDHMFDXNBASHL-UHFFFAOYSA-N 430.452 2.671 0 40 IFAB COc1ccc2c(CCNC(=O)CSc3nnnn3-c3ccccc3F)c[nH]c2c1 12274208 RZGBAARZUHZQCX-UHFFFAOYSA-N 426.477 2.742 0 40 IFAB Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 12561713 OOYVIXXSQYWSNS-UHFFFAOYSA-N 442.585 2.540 0 40 IFAB O=C(CN1CCc2ccccc2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 12688880 KATIJULKLOTSHM-UHFFFAOYSA-N 440.503 2.572 0 40 IFAB Cc1cc(N2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)nc(C(C)C)n1 12795809 MCGFHLGSVAPLIH-UHFFFAOYSA-N 448.571 2.974 0 40 IFAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12903081 ABIRAGHRUOIQKW-CQSZACIVSA-N 432.933 2.644 0 40 IFAB COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)sc2c1 12940644 OCQKBUPHGANTFX-UHFFFAOYSA-N 427.454 2.890 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2C)cc1 13678755 ROXSCCMFRUCRJA-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3OC)S2)cc1 15512919 YZUIVHAFTIBMGX-FNLSEGDXSA-N 442.497 2.663 0 40 IFAB C[C@@H](OC(=O)Cn1cnc2c(oc3ccccc32)c1=O)C(=O)Nc1cccnc1Cl 18461152 SGGIYOQJKMAFJW-LLVKDONJSA-N 426.816 2.762 0 40 IFAB COc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cc1F 19355220 AIDINCMPUVOVLF-UHFFFAOYSA-N 439.237 2.509 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695580 WRUQNHGDCAGBAA-SANMLTNESA-N 447.510 2.920 0 40 IFAB Cc1nc(CN(C)C(=O)[C@@H]2CCCO2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 19698430 MGMWUPORINAMFF-NRFANRHFSA-N 447.539 2.926 0 40 IFAB CCOCc1ccc(C(=O)N(C)Cc2ccc([C@H]3CN(C(C)=O)C[C@@H]3C(N)=O)cc2)cc1 19698753 MFMVHZAOFDHSTQ-PKTZIBPZSA-N 437.540 2.543 0 40 IFAB CC(C)(C)C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699318 IJLXDPSNHWJQNQ-UHFFFAOYSA-N 440.588 2.653 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3cccc(C)c3)CC1)C2=O 19700683 NVOQIFSSCGBDQO-UHFFFAOYSA-N 440.588 2.573 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CC[C@H](c2ccnc3c(Cn4cncn4)c(C)nn23)C1 19707653 NKWZISMNFNBINA-IBGZPJMESA-N 445.527 2.689 0 40 IFAB COC(C)(C)C(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3F)c(N)n2)CC1 19765878 LMRDDJVAGNDNGD-UHFFFAOYSA-N 428.508 2.864 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 20455973 GKLGLTBPUUBJTI-QGZVFWFLSA-N 426.878 2.523 0 40 IFAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 22536990 PPDOQWZQABQHAH-LJQANCHMSA-N 446.569 2.889 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 26935087 FMCFXKKVYFCUHO-GOSISDBHSA-N 431.533 2.707 0 40 IFAB COc1cc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O 27023150 SYQUADMTAOONMK-RQYXHQRCSA-N 437.452 2.942 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@H]1c1ccc(O)cc1 28627744 YTOIQFASMRWDCQ-YMFQVDJJSA-N 434.517 2.812 0 40 IFAB O=C(c1ccc(Br)cc1F)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29834202 TXBFQXPLZDUPRC-UHFFFAOYSA-N 445.292 2.554 0 40 IFAB COC(=O)c1cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)ccc1Cl 30858758 ASESDQNJPMLSGO-UHFFFAOYSA-N 443.884 2.517 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 31210954 VEILYFHCHOBEEV-CQSZACIVSA-N 426.330 2.747 0 40 IFAB CN(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 31691847 SGYKYNUFQVKNAP-UHFFFAOYSA-N 429.311 2.867 0 40 IFAB COc1ccc(N2C(=O)CCS[C@@]23C(=O)N(CN2CCOCC2)c2ccccc23)cc1 31772165 ACYNWFFZKGNNFC-QHCPKHFHSA-N 439.537 2.654 0 40 IFAB CCc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773692 ZJHRSGGLHCOFCA-LEWJYISDSA-N 432.973 2.959 0 40 IFAB O=C(NCc1cccc(CN2CCCC2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 32462788 MJMAYVAFPZZRIW-UHFFFAOYSA-N 441.597 3.000 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(-c3cccs3)on2)cc1 32747247 LSVDZSWHDMQDSK-GFCCVEGCSA-N 449.510 2.772 0 40 IFAB O=C(CSc1nccc(C(F)(F)F)n1)NC[C@@H]1CN(Cc2ccccc2)CCO1 32903206 IKIMVKLBVJCKCC-OAHLLOKOSA-N 426.464 2.605 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38848901 PKVMYHWUEWNFOU-FQEVSTJZSA-N 432.542 2.836 0 40 IFAB O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCN2CCCC[C@@H]12 43747005 OHJDMSVVJURXPW-LPHOPBHVSA-N 427.998 2.779 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccccc1F 44839378 SBEYJANYYVARBN-UHFFFAOYSA-N 428.507 2.561 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)cc1 48276322 XETBROVUZXTOGK-UHFFFAOYSA-N 442.545 2.514 0 40 IFAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4cc(C)ccc4C)CC3)snc2c1=O 49409844 PISJTXKMDVRPJO-UHFFFAOYSA-N 441.557 2.526 0 40 IFAB CCOC(=O)CCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)CC1CC1 58134359 VRNJTEDLFLMKQP-UHFFFAOYSA-N 427.501 2.813 0 40 IFAB C[C@H]1CN(Cc2ccccc2NC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 71941187 QTMIGRQWAODSSP-ROUUACIJSA-N 426.517 2.879 0 40 IFAB COc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC 72235848 GWFDTGCMBWKSME-UHFFFAOYSA-N 446.569 2.958 0 40 IFAB CCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 72321085 ACQOLJNZVUHVTR-IFMALSPDSA-N 432.542 2.689 0 40 IFAB biogenic,in-vitro O=C(c1ccc(OC2CSC2)cc1)N1CCC2(CC1)C[C@](O)(c1nccs1)CO2 72335501 VWVRRHVEPGOMFN-OAQYLSRUSA-N 432.567 2.920 0 40 IFAB Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc2)no1 90558848 UDGUMOVYNNXHEQ-UHFFFAOYSA-N 437.884 2.743 0 40 IFAB COc1ccccc1N1C(=O)[C@@H]2C(C(C)=O)=NN(c3ccc(Br)cc3)[C@@H]2C1=O 97020869 SJBCFKTVGHHJJO-AEFFLSMTSA-N 442.269 2.781 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1cccs1 98086665 RQMIOMWGDWQIJK-WSDUQJHMSA-N 435.530 2.951 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c1 220102701 IUADWSZXDKDHHQ-UHFFFAOYSA-N 431.558 2.589 0 40 IFAB COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222729321 WYJFBWMHSSBEID-SFHVURJKSA-N 428.529 2.816 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O 223856721 MCMOVFOQFYMSJX-QGZVFWFLSA-N 449.548 2.535 0 40 IFAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244069 DKUQAMPJCKFPMV-LJQANCHMSA-N 440.949 2.943 0 40 IFAB O=c1c2sccc2nnn1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 390830150 JDLYTMRVDJWWQI-UHFFFAOYSA-N 430.555 2.758 0 40 IFAB O=C(OCN1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408638327 BVRIKQVRZHOOEU-LBPRGKRZSA-N 443.253 2.599 0 40 IFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1 408650041 AGOIQPBQIMGGJV-QFBILLFUSA-N 438.480 2.637 0 40 IFAB O=C(NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 532266111 XMDNWFVUBYESJF-VIZSFHNOSA-N 429.524 2.749 0 40 IFAB O=C1NCCc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 604761455 ZNESMODWCVANCT-UHFFFAOYSA-N 439.459 2.502 0 40 IFAB Cc1ccc(OCCN2CCN(C(=O)CCC(=O)Nc3nnc(C(C)C)s3)CC2)cc1 1278822 CHSGYPQNQFHYNY-UHFFFAOYSA-N 445.589 2.912 0 40 IFAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CNCCO)cc12 1889555 XCWISVDRIBSOGX-IBGZPJMESA-N 426.513 2.746 0 40 IFAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 3175179 VWETTZSKCSVEHV-FQEVSTJZSA-N 433.961 2.842 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl 3433445 UYWFYKLHLOELKD-QGZVFWFLSA-N 436.917 2.599 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4nccc4C)cc3)CC2)c1 8769845 RZUZITOAACUEBW-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccccc2OC)c1=O 9410490 MZBUERVVQZXIQZ-UHFFFAOYSA-N 432.274 2.593 0 40 IFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 9613332 OIKRZQLOYCDDLV-UHFFFAOYSA-N 439.493 2.872 0 40 IFAB CCCCCN(C(=O)COC(=O)c1cccc(C)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 9663339 ZHMUJIXMXOLEFE-UHFFFAOYSA-N 444.532 2.608 0 40 IFAB CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 9791390 HBRDXVCHXGNFBI-VLIAUNLRSA-N 433.530 2.863 0 40 IFAB Cn1cc(CCC(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)c2ccccc21 12142370 YITRJLXXIQVBIO-UHFFFAOYSA-N 438.553 2.834 0 40 IFAB COc1cc(C(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc(OC)c1OC 12223742 OMNKYEFAZDZDNQ-UHFFFAOYSA-N 430.505 2.560 0 40 IFAB COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 12342330 HGCRJNYHMKGOKX-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB Cc1nn(CCCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1I 12372183 HSPJJERDVPYJEY-UHFFFAOYSA-N 426.258 2.622 0 40 IFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12596989 OAMDVMBYXNWASP-UHFFFAOYSA-N 432.402 2.891 0 40 IFAB Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1F 12629534 YITSHIDIJUQKEM-HXUWFJFHSA-N 442.516 2.863 0 40 IFAB CC(C)[C@H](NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2)C(=O)O 12890717 WIOWZVGMZQFMMF-FQEVSTJZSA-N 443.496 2.990 0 40 IFAB biogenic O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12937821 NHQUZZLOHUKXIT-HXUWFJFHSA-N 433.961 2.666 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)c1C 13649313 CNXGGDGDKKLQDX-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 13670470 SJDNESOTQQXSIL-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Sc3ccc(Br)cc3)nc2)CC1 15209452 DMEUOMWCZVGFQM-UHFFFAOYSA-N 428.377 2.931 0 40 IFAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCc2c[nH]c4ccccc24)[C@@H]3C1=O 15894285 IKGLSQKPYQOTPN-ZGXDEKTJSA-N 443.503 2.822 0 40 IFAB biogenic O=S(=O)(c1cccc(F)c1)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 16586981 VIFFDUWTXFFQNS-UHFFFAOYSA-N 426.897 2.852 0 40 IFAB COc1ccccc1[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nccn1C 17591298 VUQZFFTZIATHDI-FQEVSTJZSA-N 427.530 2.810 0 40 IFAB Cc1nonc1C(=O)N1CCCC[C@@H]1c1nc(O)c2c(n1)CCN(C1CCCCC1)C2 19558780 PIWWKTGLJZCROF-GOSISDBHSA-N 426.521 2.932 0 40 IFAB Cc1nc([C@@H]2CCN(Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O 19758121 HYZFZZRQBKKKNJ-LJQANCHMSA-N 434.544 2.905 0 40 IFAB Cc1cccc(-n2nnnc2SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 21178169 KHXIHUUTRHNWFV-UHFFFAOYSA-N 430.921 2.813 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928966 QMHVCKKLCWOWOC-ZEQRLZLVSA-N 448.571 2.768 0 40 IFAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 25261150 JNZAEQUMORBIFL-GTNSWQLSSA-N 440.472 2.787 0 40 IFAB O=C(c1sccc1-n1cccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 32899596 HLNZRQZDQCSCMX-UHFFFAOYSA-N 425.539 2.566 0 40 IFAB COc1cc(-c2noc(-c3ccc(S(=O)(=O)N4CCOCC4)o3)n2)ccc1OC(C)C 36365189 PXANRQZWIPHCOH-UHFFFAOYSA-N 449.485 2.813 0 40 IFAB C[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)n1nc(-c2ccc(F)cc2)ccc1=O 49059905 BPXITFHARMUTFZ-ZDUSSCGKSA-N 430.461 2.621 0 40 IFAB CCOC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3cc(C(=O)O)ccc3OC)cc2)n1 58006527 KQCRVFBEPXWZSX-UHFFFAOYSA-N 445.453 2.557 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(CC)cc3)cc2c1=O 67208804 UHDUYUXDRBKZDG-UHFFFAOYSA-N 445.479 2.936 0 40 IFAB Cc1nc(S(=O)(=O)N2CCC3(CC2)C[C@H]3c2nnc(-c3cccc(F)c3)o2)cn1C 71890421 PIBNWRUNGTZCQH-INIZCTEOSA-N 431.493 2.876 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)C(CC)CC)CC4)nn3c(O)c2C1 100243068 KGCXPAKZQBVRKV-UHFFFAOYSA-N 427.549 2.872 0 40 IFAB C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1cccc(F)c1)S(C)(=O)=O 220476126 TWQZRQMGSPISNJ-OAHLLOKOSA-N 439.940 2.982 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)n1 223221223 DGYUJLYUIZZURR-HNNXBMFYSA-N 444.513 2.525 0 40 IFAB Cc1ccc(C)c(OCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 224013159 NQBJTBXAOGNDSD-UHFFFAOYSA-N 433.574 2.728 0 40 IFAB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953292 JLCXPOIOQUEGLT-UHFFFAOYSA-N 427.862 2.504 0 40 IFAB CCCN1CC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](/C=C\COc3ccccc3C1)C2 253409089 ZLNCRKFSVGTKFQ-OPCATCLCSA-N 425.573 2.981 0 40 IFAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccccn3)CC2)Oc2ccccc21 253616708 ODFKUDMPIVWDHG-BFFCPOFVSA-N 446.551 2.681 0 40 IFAB CSc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1 408609535 TYBMISZERDGYMI-OAHLLOKOSA-N 436.555 2.835 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)c1 408652822 DAEAIMWTDDXMGJ-INIZCTEOSA-N 426.469 2.855 0 40 IFAB O=C(NCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710027 LWOSNHLPUPNJKH-UHFFFAOYSA-N 431.448 2.600 0 40 IFAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1OC 409023033 BMXJEBUJSVYBNB-LFIBNONCSA-N 425.441 2.552 0 40 IFAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc(C(=O)O)cc2)c(=S)n1C 409169041 PHHXNZKJTRALCB-UHFFFAOYSA-N 439.497 2.526 0 40 IFAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 409239645 HXQGIWPLZHYOMM-UHFFFAOYSA-N 442.896 2.542 0 40 IFAB O=C(c1cccc(OC(F)(F)F)c1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 575617796 RDAUQWBOCONFPP-UHFFFAOYSA-N 434.374 2.873 0 40 IFAB O[C@]1(COc2cccc(F)c2)COCCN(Cc2ccc(OCCN3CCCC3)cc2)C1 585272331 MKHYOTBTTRNNRV-VWLOTQADSA-N 444.547 2.943 0 40 IFAB Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)cc1 585282479 DTBMGNPCTUBIKV-VWLOTQADSA-N 444.547 2.608 0 40 IFAB Cc1cc(C)nc(O[C@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)n1 585340393 VHUQTLNAWXZWDW-IBGZPJMESA-N 431.558 2.888 0 40 IFAB Cc1ccc(Cc2nnc(NC(=O)NCc3ccc(N4CCO[C@@H](C)C4)nc3)s2)cc1 594942195 HIGLIBAKQJPVMR-INIZCTEOSA-N 438.557 3.379 0 40 IFAB COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604405911 WXFDVKVNBFGULO-QGZVFWFLSA-N 449.463 2.630 0 40 IFAB biogenic Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccc(OC(C)C)nc4)CC3)n2)n1 1775969410 PUAURRRHKGDXCK-UHFFFAOYSA-N 436.516 2.705 0 40 IFAB CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 1857793381 OZQVOYUFHJLCGY-FKBYEOEOSA-N 436.508 2.888 0 40 IFAB Cc1nc2ccccc2c(=O)n1CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 1889003316 HNPAZIZCEQRBLI-UHFFFAOYSA-N 439.537 2.741 0 40 IFAB Cc1ccnc(N2CCC[C@]3(CCCN(S(=O)(=O)c4ccc5c(c4)CCO5)C3)C2)n1 2056224512 LCRNHMJOZZZBLC-QFIPXVFZSA-N 428.558 2.791 0 40 IFAB COc1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1OC 924342 INYCSOAWSPFRLP-QGZVFWFLSA-N 435.498 2.772 0 40 IFAB O=C1COc2ccc(C(=O)COC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2N1 2652848 ZSJVVRFFWDPSTK-UHFFFAOYSA-N 430.844 2.607 0 40 IFAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c(c1=O)S[C@@H](C)C2 4800824 IJMGEDNQQFHRSA-HNNXBMFYSA-N 430.599 2.741 0 40 IFAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4cccnc4)ccc(=O)n2C3)cc1 5439961 RGTHGRIPEQGYPK-QFBILLFUSA-N 444.491 2.764 0 40 IFAB biogenic,in-vitro COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)CCCC(=O)O)n(C)n2)cc1 8635364 LNJWWKOPGLRVAR-NSHGMRRFSA-N 440.544 2.645 0 40 IFAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(Br)cc3)C(C(=O)[C@@H]3CO3)=N2)cc1 8691099 ZIMLEDCHIJAGIL-IRXDYDNUSA-N 449.326 2.870 0 40 IFAB O=C(O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 8878388 JHSZVPSWWXBWCY-INIZCTEOSA-N 437.901 2.633 0 40 IFAB Nc1nc(O)nc(O)c1-c1c(-c2ccc(C3CCCCC3)cc2)[nH]c2[nH]c(=O)[nH]c(=O)c12 8992096 RYIIHUBHCGHERW-UHFFFAOYSA-N 434.456 2.710 0 40 IFAB CN(C(=O)c1ccc(COc2ccccc2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9254391 HAGXXGFBKLFYGD-UHFFFAOYSA-N 446.463 2.616 0 40 IFAB NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 9336678 ZCYGCPCUZYCOQY-IBGZPJMESA-N 426.904 2.544 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)[C@H]1CC=CCC1 9349313 MEUBUERGEMLSAF-SFHVURJKSA-N 433.574 2.993 0 40 IFAB CCCCN(C(=O)COC(=O)Cc1coc2cc(C)c(C)cc12)[C@H]1CCS(=O)(=O)C1 9436566 GCTSIWGSUCHHDF-SFHVURJKSA-N 435.542 2.951 0 40 IFAB COc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 9569006 LUWGUGUQAOLUHD-UHFFFAOYSA-N 439.472 2.903 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)N3CCCC3)cc2)cc1 9671505 FCWFEOFVTZZUSU-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB Cc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1C 9712572 DTQUNZLFJFAAKE-UHFFFAOYSA-N 444.542 2.641 0 40 IFAB CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c1 9747397 WOSHOVMMQWOIRK-UHFFFAOYSA-N 428.558 2.617 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccc(C)cc2)S1(=O)=O 10272418 LALBYKXHFAGARR-UHFFFAOYSA-N 445.541 2.563 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1n1c(-c3ccc(F)cc3)nnc1n2Cc1c(F)cccc1Cl 10966973 MLLKCMVTXOJZBB-UHFFFAOYSA-N 442.813 2.718 0 40 IFAB Cc1ccc(C)c(COc2cccc(N3CCn4c3nc3c4c(=O)n(C)c(=O)n3C)c2)c1 11692395 IBGWGZAIODLHNL-UHFFFAOYSA-N 431.496 2.781 0 40 IFAB COc1ccccc1-n1c(=O)n(CC(=O)N2CCCc3ccccc32)c(=O)c2cccnc21 12371810 ZINBTFKBGICWSI-UHFFFAOYSA-N 442.475 2.535 0 40 IFAB CC[C@@H](C)N(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 12516842 SJMLUKAFCKMRIZ-IEBWSBKVSA-N 442.025 2.585 0 40 IFAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)no1 12770287 MDCYDKRNLJCLIP-UHFFFAOYSA-N 442.497 2.994 0 40 IFAB CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715497 RIFKTPUUAGUAHP-OAQYLSRUSA-N 433.549 2.715 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 15391543 VWDJEFMPEPJUCN-IBGZPJMESA-N 443.569 2.869 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 19215190 OOAHLDAIMMQEQD-MRXNPFEDSA-N 427.486 2.577 0 40 IFAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)C(C)(C)Oc1ccc(OC)cc1)C2 19707465 XZHNDUOVLRGRAK-SFHVURJKSA-N 425.533 2.694 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 19756135 ZWSOMBUBXVIDIU-GOSISDBHSA-N 444.557 2.946 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccccc1OC 20328439 UKCUYXCOIDDIAR-FQEVSTJZSA-N 444.509 2.649 0 40 IFAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 20458817 JDYHRFSVWZISOG-OAHLLOKOSA-N 434.514 2.576 0 40 IFAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)n(C)c(=O)n(-c2ccc(OC)cc2)c1=O 20757798 RSSSOKHAKAUFDG-JOCHJYFZSA-N 446.507 2.699 0 40 IFAB biogenic CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cccc(C)c1 20801366 JGQSGLPHHUCJOI-VXKWHMMOSA-N 434.540 2.519 0 40 IFAB COc1ccc(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1Cl 20824034 REHFKDSRNVKTJM-QGZVFWFLSA-N 426.860 2.932 0 40 IFAB COc1cc(C(=O)NCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc(OC)c1OC 23100946 AAUWWQSTKUZIRB-SFHVURJKSA-N 444.484 2.639 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23134198 QAYABFYZYJKHRR-UHFFFAOYSA-N 447.326 2.692 0 40 IFAB CCN1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 25767234 ORJAOQWRLLNMMM-UHFFFAOYSA-N 445.585 2.671 0 40 IFAB CCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555961 WPPFAUBTYPGSIZ-UHFFFAOYSA-N 440.544 2.807 0 40 IFAB O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccc(Cn2ccnc2)cc1 30217020 PZWNBTIMSYSDAW-UHFFFAOYSA-N 425.539 2.550 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 31065138 FECMZQNJZDHQFJ-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCCN3CCOCC3)c2)cc1 36329975 IREBLNXNFIUYDK-UHFFFAOYSA-N 431.558 2.556 0 40 IFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc(-c2ncccn2)nc1C 40146602 DPMBEJLKZLCOJK-UHFFFAOYSA-N 439.497 2.784 0 40 IFAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 40400039 ZSAWGASZUKSPRZ-HNNXBMFYSA-N 447.451 2.789 0 40 IFAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(Cc2ccsc2)CC1 48355492 TYFLHVCFRTZOND-UHFFFAOYSA-N 443.598 2.849 0 40 IFAB CNc1cc([C@@H]2CCCN(C(=O)c3c(C(C)C)noc3C)C2)nc(CN(C)C(C)=O)n1 72370126 SHYIKWRCTQUDFH-MRXNPFEDSA-N 428.537 2.936 0 40 IFAB Cc1ccc(=O)n(CC(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)n1 72393401 JVCLZJBNZJEALW-UHFFFAOYSA-N 428.964 2.908 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 72404412 LAMVWUXGLDKKBH-INIZCTEOSA-N 430.936 2.885 0 40 IFAB Cc1c(C(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)cnn1-c1ccccc1 77192013 VHGYGNRQMFBANG-GOSISDBHSA-N 437.525 2.953 0 40 IFAB O=C(NC1(CO)CCOCC1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 95997265 JXGPOEXDOFEDIN-UHFFFAOYSA-N 442.896 2.551 0 40 IFAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCC(Oc2ncccc2Cl)CC1 96096868 HRMZLJZFIYZIQN-ZDUSSCGKSA-N 446.960 2.887 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 96121575 FAMRWPLMDLXWBA-UHFFFAOYSA-N 431.436 2.546 0 40 IFAB Cc1cccc(CN2C[C@@H]3[C@H](C2)c2nc(N4CCC[C@H](C)C4)ncc2CS3(=O)=O)c1 96251984 JOJUSWBOVWXJML-DZFGPLHGSA-N 426.586 2.918 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 220266266 XWCHILCFAXYUEP-SFHVURJKSA-N 445.585 2.761 0 40 IFAB CC[C@@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1cccc(C)c1)S(C)(=O)=O 220499584 CMVYMXCMBLWEGY-FQEVSTJZSA-N 445.585 2.897 0 40 IFAB COC(=O)c1cn(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c2ccccc12 222621838 VPRSGOFRUOKBFK-SFHVURJKSA-N 448.884 2.949 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)NC(C)C 222698630 OYWBZGXYNHQDAO-CQSZACIVSA-N 434.514 2.644 0 40 IFAB O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccc(Br)cc1 224724061 ZUMKYVPSTLQUQP-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c3ccccn23)C1 306136870 QFIRXQSPRCZUEZ-INIZCTEOSA-N 430.505 2.542 0 40 IFAB CCNC(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 306142751 XIHJODYWJCKRNN-YADARESESA-N 427.545 2.918 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408597549 XMAGQXDGNMGBNU-HNNXBMFYSA-N 441.475 2.721 0 40 IFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)Nc1ccc(Br)cc1Cl 408668360 WJNLZNHXVPXIKU-NYZVLYBASA-N 428.666 2.782 0 40 IFAB O=S(=O)(c1ccc(Sc2ccc3nnc(C(F)F)n3n2)nc1)N1CCCCC1 538891811 PDVJXLFJWSJUKT-UHFFFAOYSA-N 426.474 2.783 0 40 IFAB COc1ccc(CN=c2[nH]c(SCC(=O)N=c3cc(C)[nH][nH]3)nc3ccccc23)cc1 575615929 JPPCBIHWXLZGCR-UHFFFAOYSA-N 434.525 2.857 0 40 IFAB O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 580371166 HKVAKBZORAQPFN-QFIPXVFZSA-N 429.517 2.686 0 40 IFAB CN(C)c1ccc(CC(=O)N2CCC3(CC2)CO[C@@H](CN(C)[C@H]2CC[C@H](O)CC2)C3)cc1 585103560 HEPWPPWSMNEPJC-WXFUMESZSA-N 443.632 2.928 0 40 IFAB CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(Cc4ccccc4)C[C@@H]23)cc1 585106323 UHTIXZMWPLVOHX-PKTZIBPZSA-N 432.568 2.605 0 40 IFAB Cc1ccc(CCNS(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)nc1 1191073449 IXFVXHNXDSZNIJ-HSZRJFAPSA-N 432.365 2.686 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccc(F)cc2)CC1 2467727 JZVQXKRTPJOJHS-MRXNPFEDSA-N 437.562 2.637 0 40 IFAB Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3437122 CXLOENIOGQAKRQ-UHFFFAOYSA-N 430.526 2.643 0 40 IFAB CCN(CC)CCCNC(=S)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4132980 OARQHLPXEPCFEW-UHFFFAOYSA-N 432.634 2.936 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)s1 4355948 CEGRDYNAZJVWJD-UHFFFAOYSA-N 436.592 2.659 0 40 IFAB CC1CCN(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 7924926 BHPCZLKAZUUQNR-UHFFFAOYSA-N 427.998 2.976 0 40 IFAB CN(CCCC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccc(F)cc1 8944348 YHEFKXRWAUYMEP-UHFFFAOYSA-N 433.505 2.992 0 40 IFAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 9076144 QOLVJHLBDLGJHD-MRXNPFEDSA-N 431.901 2.844 0 40 IFAB CN(C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)[C@@H]1CCS(=O)(=O)C1 9200456 GXVZUZMDZSNQIS-QPGLYAHGSA-N 425.510 2.572 0 40 IFAB COC(=O)c1cc(NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)cc(C(=O)OC)c1 9593704 CPDFWRPMYWRPKV-UHFFFAOYSA-N 437.452 2.998 0 40 IFAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1 9616117 HQGBWTJRUYIIGF-UHFFFAOYSA-N 429.476 2.786 0 40 IFAB CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 9693181 FCIYPIXHLMWPSM-KRWDZBQOSA-N 429.952 2.900 0 40 IFAB COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)o1 9883225 DHJLSXINCCUMBE-UHFFFAOYSA-N 432.420 2.592 0 40 IFAB CCc1nc2ccccc2n1CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 9914958 SPUQGMOKHXKGGP-UHFFFAOYSA-N 440.569 2.830 0 40 IFAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c4nc23)c1C 10271877 QYNTYKIGYOOSRJ-UHFFFAOYSA-N 435.528 2.987 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)cc1 11533034 QWDOWXSCFDTDMX-SFHVURJKSA-N 438.480 2.961 0 40 IFAB C[C@@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 11726654 BAPZIGHNHFKSOG-NVXWUHKLSA-N 445.610 2.910 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H](c4ccccc4)C3)CC2)Nc2ccccc21 12085635 KIVVFJASMRTLPS-FNZWTVRRSA-N 446.551 2.957 0 40 IFAB Cc1ccc(OCc2nnc(SCC(=O)NC(=O)Nc3ccccc3F)n2N)c(C)c1 12696368 LBQVVLYNPRQMCQ-UHFFFAOYSA-N 444.492 2.767 0 40 IFAB O=C(Nc1ncccc1O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 12752574 NUHGTQCODTURTC-GFCCVEGCSA-N 440.319 2.589 0 40 IFAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 12873420 HPFPKOAFIDFGSE-UHFFFAOYSA-N 430.490 2.557 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)C2=O 13062026 ORQCUSFQXXZKCZ-UHFFFAOYSA-N 425.455 2.681 0 40 IFAB COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13150784 DEQGVAMHFGQDAX-HSZRJFAPSA-N 447.495 2.870 0 40 IFAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 13169840 ZEVAOLKSCFUISU-HUUCEWRRSA-N 432.498 2.743 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)cc1 14167096 QOJUCBGVWNIPGE-OXJNMPFZSA-N 433.302 2.964 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2)C[C@@H](C)O1 14183735 MKOKGBWIPUKIPW-GQIGUUNPSA-N 430.526 2.738 0 40 IFAB CCCCn1c(CN(C)C[C@@H]2COc3ccccc3O2)nc2cc(S(N)(=O)=O)ccc21 15447081 YENRKHQNXZDTPI-MRXNPFEDSA-N 444.557 2.756 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2cc(Br)ccc2F)cc1 15589871 UUAQGPIKINYRLJ-FPYGCLRLSA-N 427.295 2.608 0 40 IFAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021945 UZPHEAGMUZZUDX-GSRZOBFVSA-N 437.927 2.959 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)c1 16084713 WRYZVZSSXHITIT-UHFFFAOYSA-N 443.319 2.726 0 40 IFAB O=C(CCC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19014610 UPPMIXAMLGHAGP-NRFANRHFSA-N 428.577 2.941 0 40 IFAB O=C(Cc1cc(F)ccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1 19293031 NGFACGAYYDZZFI-OAHLLOKOSA-N 442.510 2.907 0 40 IFAB O=C(C[C@@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCCc1ccccc1 19819505 KYXBJXZLPPPVLA-JOCHJYFZSA-N 442.523 2.960 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232365 JMHIPKXGWRTNSM-OAHLLOKOSA-N 440.949 2.836 0 40 IFAB C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CCN(CC(=O)N2CCCC2)CC1 22914516 STVQUEHPEKRLFJ-AWEZNQCLSA-N 444.910 2.508 0 40 IFAB Cc1ccc2nc(C)cc(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c2c1 24864136 UTDPXEPSVQPLJS-UHFFFAOYSA-N 439.537 2.803 0 40 IFAB COc1ccc(Nc2nnc(SCC(=O)NCC(C)(C)N3CCOCC3)s2)cc1 27234808 WFDZPRREMVOTRB-UHFFFAOYSA-N 437.591 2.609 0 40 IFAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(C(C)C)n1 27545117 DMCXTYCOTNIITC-KRWDZBQOSA-N 425.533 2.829 0 40 IFAB Cc1cc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)no1 28006439 ZWBIKJMEBOWPNJ-UHFFFAOYSA-N 437.953 2.699 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 33750242 OEIMNSZPCLLARM-UHFFFAOYSA-N 446.569 2.772 0 40 IFAB Cc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)sc1C 48333138 PIHNCYBWORBUKV-UHFFFAOYSA-N 443.510 2.983 0 40 IFAB O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccc(Cl)c(Cl)c1 49409036 SBFWWJDRHMIWOI-UHFFFAOYSA-N 444.340 2.968 0 40 IFAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1 57347715 WAFGNKAFZVIYSL-QGZVFWFLSA-N 433.599 2.775 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 58251503 VEWNANSWQUKINV-UHFFFAOYSA-N 430.486 2.814 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCSC3CCCCC3)c2)CC1 95482540 YLIXYHZJIYUTNV-UHFFFAOYSA-N 439.647 2.809 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 95957696 USPCLRNPSGESII-DLBZAZTESA-N 436.281 2.573 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1CC(F)(F)F 103148123 VNHZAVXFQQZYPJ-SOUVJXGZSA-N 442.434 2.957 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)OCC)cc2)c(C)c1 222791203 ZGIJKRIQVNKPEI-UHFFFAOYSA-N 448.541 2.806 0 40 IFAB CCN(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 223062732 JGSNXRJLQOIHBB-HNNXBMFYSA-N 436.530 2.600 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 253602153 JGEJVJQUFWTNAN-JJXUHFIVSA-N 433.505 2.808 0 40 IFAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)Cc4nnc(N)s4)CCO3)c2)c1 257255033 KFUXPYHEQSFABI-IBGZPJMESA-N 439.541 2.566 0 40 IFAB c1cc(N2CCOCC2)n2cc([C@H]3CN(Cc4nccs4)CCN3CC3CC3)nc2c1 306123487 AORHTJPPBILYFM-HXUWFJFHSA-N 438.601 2.896 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)Cc4ccccc4C)C[C@@H]2C3)cc1 306129585 IHOGLDJBRLXXPI-OALUTQOASA-N 445.523 2.721 0 40 IFAB Cc1cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(C)cc1Br 408660401 LFKYYFDRSKNMLJ-UHFFFAOYSA-N 445.269 2.844 0 40 IFAB Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)[nH]c2c1 530652501 LUGPKZMWTGUIOJ-DVECYGJZSA-N 446.511 2.973 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)c1 575614196 PEPFIYRFWTYKGT-KRWDZBQOSA-N 449.554 2.925 0 40 IFAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@H]1CCCN1S(=O)(=O)c1ccccc1 642000835 UEZXMJJHUVJLFU-OAHLLOKOSA-N 445.522 2.859 0 40 IFAB O=C1NCCOCCCCC2(CCN(C(=O)c3cnccn3)CC2)COc2ccccc21 643571341 HHKLCDDQGUDTKB-UHFFFAOYSA-N 438.528 2.708 0 40 IFAB C[C@]1(c2cccc(-c3noc([C@H]4CCCN4C(=O)c4ccccc4)n3)c2)NC(=O)NC1=O 685286445 KCWWHADRIKEZKL-UZUQRXQVSA-N 431.452 2.769 0 40 IFAB O=C(COc1ccc2ccccc2c1Br)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1637479744 HUAXZFVUYYCKBG-CABCVRRESA-N 438.343 2.874 0 40 IFAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)Nc4ccccc4)C[C@H]2CO3)cn1 1772594545 KJNJBAQXSSLGOH-FQEVSTJZSA-N 446.511 2.636 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 3055682 QGWVFRIJABOFLO-UHFFFAOYSA-N 425.441 2.583 0 40 IFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NC[C@@H]1CN(Cc2ccccc2)CCO1 3396089 NPDIDNVVSOJPAV-MRXNPFEDSA-N 431.949 2.721 0 40 IFAB C[C@@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)C(=O)NCc1ccco1 3456561 JWNPOKLTBRBDBL-QAPCUYQASA-N 426.494 2.930 0 40 IFAB CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1OC 3492457 RNCFSDVFZGPRFM-UHFFFAOYSA-N 426.498 2.641 0 40 IFAB CCOC(=O)c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1N1CCOCC1 6089559 AHPZYQYDORAFLL-UHFFFAOYSA-N 444.484 2.978 0 40 IFAB C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1 6531115 OQKHKCJTLDMZKT-ZDUSSCGKSA-N 440.529 2.593 0 40 IFAB O=C(N[C@H]1CCN2C(=O)c3cc(/C=C/c4ccccc4)ccc3NC(=O)[C@H]12)c1cnccn1 8296839 KVGKHDMURIGLQQ-RGVSTGCNSA-N 439.475 2.612 0 40 IFAB biogenic,in-vitro COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1OC 8713567 BEDGMYYFWLMCAP-GFCCVEGCSA-N 430.482 2.610 0 40 IFAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(N2CCCC2=O)c1 8751212 ONJVCMBLEAJFEP-FQEVSTJZSA-N 430.464 2.641 0 40 IFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Oc3ccc(Br)cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 8834420 WLZITUKKHHQEKY-YTBGYOSVSA-N 429.263 2.751 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2c4ccccc4C=NN2[C@H]3C(=O)OC(C)(C)C)cc1 9076246 ISZOPQBEIHDNBZ-IVAOSVALSA-N 447.491 2.916 0 40 IFAB COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 9314515 SQQKIWCETYTWMD-IBGZPJMESA-N 426.469 2.800 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 9360111 CKQHOCFSFLTMIJ-GKAYAJSDSA-N 437.883 2.780 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 9413094 OCTDPMBJCLGFGA-UHFFFAOYSA-N 430.464 2.536 0 40 IFAB COc1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 9761356 FZIGHRIUSKTPAW-UHFFFAOYSA-N 425.466 2.743 0 40 IFAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 10031443 PQJPPWIGGYXTQD-QGZVFWFLSA-N 430.921 2.806 0 40 IFAB COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nnc(C)s1 10254811 IYQXBKVXDHNSPI-UHFFFAOYSA-N 432.527 2.956 0 40 IFAB NC(=O)N[C@@H](CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccs1 10321434 JLDHJDACRRGIBJ-AWEZNQCLSA-N 431.543 2.933 0 40 IFAB O=C(O)CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1 10386496 DUKQPJCDLKIVEO-KRWDZBQOSA-N 438.505 2.931 0 40 IFAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1cnc2ccccc2c1=O 12220315 VXHGIHMTBRIJAU-LJQANCHMSA-N 449.536 2.523 0 40 IFAB O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12563414 LDESZLTUPOSBLE-UHFFFAOYSA-N 446.529 2.821 0 40 IFAB CN(CC(=O)NC1CC1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 12584693 NACMGNXHIPCXBK-UHFFFAOYSA-N 427.935 2.553 0 40 IFAB O=C(Nc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 12749432 KKSXBMHBWCORLN-LLVKDONJSA-N 430.349 2.945 0 40 IFAB COc1ccc(C(=O)CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 12789766 CWHAOVSPWOFNLX-HXUWFJFHSA-N 444.503 2.996 0 40 IFAB CC[C@H](C(=O)Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12978987 JOPQHAKSDYGOQN-JOCHJYFZSA-N 427.570 2.899 0 40 IFAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12998639 FOTJXFYTPDRAOA-GOSISDBHSA-N 433.549 2.742 0 40 IFAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3cc(Cl)cc(Cl)c3N)oc(C)c12 13108737 GNXZEUQLDVAWDW-UHFFFAOYSA-N 425.228 2.817 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2C)no1 13117090 DZBUSSGGTQPSNP-QHCPKHFHSA-N 434.452 2.803 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 13627748 VRSLVORUCUUSML-SZNDQCEHSA-N 438.484 2.615 0 40 IFAB COc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nn1 13663754 BKQYZDYOIQEYPI-UHFFFAOYSA-N 428.489 2.802 0 40 IFAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13676792 PVXJDFVSBQGAHH-UHFFFAOYSA-N 436.405 2.603 0 40 IFAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)c(F)c1 13956431 AUFJOYJKGBBONE-UHFFFAOYSA-N 449.458 2.936 0 40 IFAB COCCOC(=O)c1c(NC(=O)CN(Cc2ccccc2)C(C)C)sc(C(N)=O)c1C 14129414 MTRYYOABXWHNIV-UHFFFAOYSA-N 447.557 2.808 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)c3c(C(C)C)noc3C)C2)nc2c1CN(C(C)=O)CC2 19710478 HRLKWSIBSPLRCW-INIZCTEOSA-N 440.548 2.863 0 40 IFAB CNc1ncc(C(=O)N2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cn1 19762209 MMHZIBCJOKYVPU-OAQYLSRUSA-N 448.527 2.666 0 40 IFAB O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 21293548 ODDJNMQPPGKDDZ-LBPRGKRZSA-N 442.950 2.779 0 40 IFAB CCCCCN(C(=O)c1cc(C)nc2onc(C)c12)c1c(N)n(CCCC)c(=O)[nH]c1=O 22315041 QQTMGURYHAZHDB-UHFFFAOYSA-N 442.520 2.909 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)N(C)CCOc2ccc(Br)cc2)c1 24356723 FAZKADHCOPIKJG-UHFFFAOYSA-N 428.304 2.935 0 40 IFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 25252238 FGBQNOJFUILOMV-PZJWPPBQSA-N 445.560 2.617 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)s1 25887837 HIRXQJHVXCHTNS-GOSISDBHSA-N 447.582 2.875 0 40 IFAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NC[C@H](CC(C)C)N1CCOCC1 26062103 LHUFJDIHYNXEIZ-SFHVURJKSA-N 439.622 2.549 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110733 BIVBOZYUHGRIAT-OAHLLOKOSA-N 448.416 2.699 0 40 IFAB COc1ccc([C@@H](CNC(=O)NCCc2cccc(F)c2)N2CCOCC2)cc1OC 29723985 CVUUMRGXKUZZRU-HXUWFJFHSA-N 431.508 2.758 0 40 IFAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 32081152 NRFFFBCOHUXJIO-NSHDSACASA-N 428.388 2.944 0 40 IFAB O=S(=O)(N1CCCC1)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32760691 LEJPVNACTLRTGT-UHFFFAOYSA-N 447.561 2.960 0 40 IFAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)CC1 32796081 AKOLZXOPPKVLCY-OAHLLOKOSA-N 448.354 2.984 0 40 IFAB O=C(Cc1ccc2c(c1)OCCCO2)NCCSCc1nc2ccccc2c(=O)[nH]1 35686387 CLOOFMPSPFBABZ-UHFFFAOYSA-N 425.510 2.677 0 40 IFAB C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 40117693 GTWMSSJOHGPUIS-GUYCJALGSA-N 427.432 2.679 0 40 IFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccc(F)cc1 44839619 JTPQOGFDDPXFNG-UHFFFAOYSA-N 431.467 2.861 0 40 IFAB COc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc(OC)c1 49400794 KROMYIFQOPGMKV-UHFFFAOYSA-N 448.523 2.766 0 40 IFAB Cc1cc2nn(CC(=O)Nc3ccccc3C)c(=O)n2c(N2CCc3ccccc3C2)n1 57505839 FBXIZJWJROXTRA-UHFFFAOYSA-N 428.496 2.709 0 40 IFAB Cc1nc(-c2cccc(NC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cs1 58166531 GIGOMAOORFSWGM-ZIAGYGMSSA-N 438.575 2.679 0 40 IFAB CC(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1)N1CCOCC1 58265332 BEFQYKLDDXKGGU-FQEVSTJZSA-N 435.588 2.836 0 40 IFAB Cc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)N2CCCC2)o1 58307636 VKUNGYINBAMXCC-MJGOQNOKSA-N 439.512 2.665 0 40 IFAB CCOC(=O)c1c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)sc(C(C)=O)c1C 59346308 VYCUAVHGBMXRIZ-UHFFFAOYSA-N 427.482 2.864 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4cc(C)n[nH]4)nc(C)n3)C2)CC1 72360844 IWTZYYJKHXTJES-SFHVURJKSA-N 425.537 2.525 0 40 IFAB Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(-c3nnn(C)n3)c2)n1 79501783 GGGALOKAGXHHEP-HXUWFJFHSA-N 428.500 2.946 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nccn3CC(=O)O)c2)cc1 84798556 RUWSDTZHXDDBSP-UHFFFAOYSA-N 429.454 2.612 0 40 IFAB O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 95460709 ONBGBKCQEDLWCC-UHFFFAOYSA-N 443.504 2.833 0 40 IFAB O=C(NCCc1ccc(O)cc1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95476111 LRAGPMMITCLNIH-ZDUSSCGKSA-N 443.301 2.743 0 40 IFAB O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1Br 96308955 SAIYIUOOIZJUHC-IBGZPJMESA-N 428.330 2.899 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc(OC)c2OC)C3)c(OC)n1 100728431 AYEJLTBPPIHKPS-IRXDYDNUSA-N 429.517 2.631 0 40 IFAB O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(c2ccccc2O)CC1 105840643 IDLLWVRUUWJIQY-OAHLLOKOSA-N 444.329 2.856 0 40 IFAB CCOc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)CC)s2)cc1OCC 223100437 DEWHZAVHLXKDKT-NSHDSACASA-N 428.536 2.724 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 223758575 WECHGNYMRZNKEK-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C(=O)N1CCC(C)CC1 224164025 JFHXUJPCDVTUFI-UHFFFAOYSA-N 432.542 2.925 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(C(N)=O)cc1 225387281 OVAOWLUYLOVUIL-UHFFFAOYSA-N 445.541 2.540 0 40 IFAB COc1ccc(-c2nc(CNC(=O)C3CN(c4cc(-n5cccn5)ncn4)C3)cs2)cc1 244909788 AVLQHCWHNWELEY-UHFFFAOYSA-N 447.524 2.547 0 40 IFAB CCn1cc(S(=O)(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3cccs3)cc2)cn1 257288655 PVCAHOCZFAWXNM-IBGZPJMESA-N 444.582 2.706 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 257321016 VZRUACYVXXHTHK-LJQANCHMSA-N 445.907 2.909 0 40 IFAB O=S1(=O)c2ccccc2O[C@]2(CCN(Cc3ccncc3)C2)CN1Cc1ccccn1 306137479 QXMBFZZCKZVOHN-QHCPKHFHSA-N 436.537 2.705 0 40 IFAB O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCCN(CCc3ccccc3)C2)O1 306139157 SQUIQHJNAWYKDJ-DNQXCXABSA-N 444.597 2.599 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 408648535 ZAJYFASPIGSSSU-UHFFFAOYSA-N 447.509 2.826 0 40 IFAB O=C1C[C@@H](c2ccccc2OCC(=O)Nc2ccc(Br)cc2)N2NC=NC2=N1 409376222 WBKOLBHWCBPOBZ-HNNXBMFYSA-N 442.273 2.643 0 40 IFAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2ccc(C3CC3)nn2)CC1 575620489 RKZZJWNTHXSOOT-UHFFFAOYSA-N 428.436 2.764 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)N2CCn3cc(CC(=O)N4CCCCC4)nc3[C@H]2C)c1 585097469 KFYMSAVSFORLJG-GOSISDBHSA-N 430.574 2.820 0 40 IFAB Cn1nccc1CCC(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643559809 BTFKKLGIKNPAGW-VWLOTQADSA-N 438.572 2.883 0 40 IFAB O=c1c2ccccc2ncn1CC1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1775972691 RFPSMSBRJUSODD-UHFFFAOYSA-N 441.538 2.502 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(N(c2cc(N(C)C)ncn2)C2CC2)CC1 1775975191 BQXKFWQNVCESSG-UHFFFAOYSA-N 433.553 2.812 0 40 IFAB O=S(=O)(N[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Br)C1)C1CC1 1888881732 XIGQGQDKYADRPI-SNVBAGLBSA-N 428.274 2.914 0 40 IFAB CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 976060 SMSNEMZOXJBRJJ-OAHLLOKOSA-N 434.880 2.580 0 40 IFAB O=C1Nc2ccc(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c3cccc1c23 8397266 VQZGXLPNABQRGS-SFHVURJKSA-N 435.461 2.861 0 40 IFAB COc1ccc(OC)c2sc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc12 8601668 KWJITWTVWHAMLI-SFHVURJKSA-N 441.509 2.802 0 40 IFAB C[C@@H](OC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O)C(N)=O 9195591 HDRVGIYUZOHUPP-CYBMUJFWSA-N 447.413 2.813 0 40 IFAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 9220703 DAWWYMOBLARQOZ-SFHVURJKSA-N 448.614 2.935 0 40 IFAB Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3F)[nH]c2=O)cc1 9518129 KOXKITOGIQABDH-UHFFFAOYSA-N 427.461 2.783 0 40 IFAB CCCc1nnc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N(CC)CC)cc23)s1 9730480 POPRWGFRMOJYEM-UHFFFAOYSA-N 449.558 2.615 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)Cn3nc(C)c4ccccc4c3=O)nn2c1O 12154102 TYIKOFJZPKZOSW-HXUWFJFHSA-N 446.511 2.688 0 40 IFAB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)N1CCc2ccccc21 13567163 OPVBDVXZIKVBGJ-UHFFFAOYSA-N 425.489 2.817 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(c3nc(Cl)nc4[nH]cnc34)CC2)cc1OC 13571150 XNFUSUSYLHVHGT-UHFFFAOYSA-N 444.923 2.599 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3cc(Br)ccc32)cc1 13732300 JYZSHZSOWNZLMW-UHFFFAOYSA-N 436.331 2.758 0 40 IFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 13792468 BMAOKSMUJIOJTE-HNNXBMFYSA-N 433.511 2.669 0 40 IFAB Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1Cl 14359412 NGAQCJFKGIFDTB-QJPTWQEYSA-N 442.299 2.742 0 40 IFAB CC(C)CN(C(=O)CN(C)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 16388244 UMVYXJMFHLWQFD-MRXNPFEDSA-N 431.396 2.553 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(CNC(C)=O)s3)C2=O)cc1 16680261 KHFLPMASZPTEEA-JOCHJYFZSA-N 443.525 2.519 0 40 IFAB COc1cc(CCC(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)on1 19550408 AHTZCAMQCTVDJN-UHFFFAOYSA-N 428.514 2.909 0 40 IFAB Cc1nn2c([C@H]3CN(C(=O)CCC4CCCC4)CCO3)ccnc2c1CN1CCOCC1 19707752 VARQJOWOQJZUJM-JOCHJYFZSA-N 441.576 2.740 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC 20017210 JXICBKGKSCEHNR-INIZCTEOSA-N 436.505 2.560 0 40 IFAB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 22278436 GJSHQAWCYXYWFH-UHFFFAOYSA-N 445.541 2.861 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NC[C@@H]1CCCO1 23139224 MULVDEXYOJGMCH-NSHDSACASA-N 438.912 2.970 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1OC 23386312 VFGLYOZNIUUVQU-INIZCTEOSA-N 438.571 2.834 0 40 IFAB CN1C(=O)c2ccc(C(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)cc2C1=O 25339525 PPXQCQKQQJPXPI-UHFFFAOYSA-N 426.782 2.822 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)NC[C@@H]1CN(Cc2ccccc2)CCO1 25685667 ZTSXRFXMWBTRCL-MRXNPFEDSA-N 429.571 2.643 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3cc(C)nc4onc(C)c34)CC2)c(OC)c1OC 28841149 STXNUTFIQBVMHD-UHFFFAOYSA-N 440.500 2.823 0 40 IFAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 32882120 CYUBHJJQIIDQGL-LJQANCHMSA-N 449.960 2.580 0 40 IFAB Cc1csc(CC(=O)N2CCN(CC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)n1 35269293 DMZIJKQKRYYVHK-INIZCTEOSA-N 426.542 2.762 0 40 IFAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c2ccc(F)cc21 36360564 IXFUNLVZFHVUJE-QFIPXVFZSA-N 440.475 2.594 0 40 IFAB O=C(CN1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1)N1CCCCC1 36383984 SYTPUZWDKWEXKC-UHFFFAOYSA-N 431.540 2.796 0 40 IFAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 36392019 WDGAYMXZRVOJAE-NHCUHLMSSA-N 438.528 2.530 0 40 IFAB Cc1cccc(CSCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 38851677 GIKPULRLTZTPLS-HXUWFJFHSA-N 434.583 2.880 0 40 IFAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)o1 48231683 LYNIEAZVLMOORD-QGZVFWFLSA-N 442.541 2.842 0 40 IFAB CCOC(=O)N1CCC(NC(=O)Cn2c(=O)n(C3=CCCCC3)c3ccccc32)CC1 48301763 QDQVCFJCSLEYQN-UHFFFAOYSA-N 426.517 2.955 0 40 IFAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)N1CCN(c2ccccc2)CC1 49399300 SJYJBKBBAIORET-UHFFFAOYSA-N 448.914 2.560 0 40 IFAB Cn1c(=O)n(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c2ccccc21 58168567 HSMINLJUFOSAPZ-MRXNPFEDSA-N 435.459 2.935 0 40 IFAB O=C(c1cccnc1)N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 70921620 IMOLREQCUKAUBZ-UHFFFAOYSA-N 427.448 2.931 0 40 IFAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC 71279361 XMZWSMXFORVFRV-TZMCWYRMSA-N 435.502 2.701 0 40 IFAB CC(C)CCOc1ccc(CN(CC(C)(C)N(C)C)C(=O)CN2C(=O)CN(C)C2=O)cc1 72277482 OSUKETGBVJNFJE-UHFFFAOYSA-N 446.592 2.674 0 40 IFAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)CN3C(=O)NC(C)(C)C3=O)n2)sc1C 72375427 ADQABNBISXHBTI-HNNXBMFYSA-N 442.545 2.892 0 40 IFAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O 78877561 VUOOHZJIBBIEAB-AEFFLSMTSA-N 428.533 2.986 0 40 IFAB O=C(CCN1CCC(NS(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 84558671 FPNBVTSWLJLKBR-UHFFFAOYSA-N 427.570 2.947 0 40 IFAB COc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccc(OC)c3OC)C2)c1 89469737 HVFSBEMFSSPVCD-NRFANRHFSA-N 439.512 2.722 0 40 IFAB Cn1cc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c(C(F)(F)F)n1 95973360 AFXRUAIAGBYWGR-UHFFFAOYSA-N 440.241 2.755 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)c1 100395412 NQAKXRMWKLZAAY-WJQMWINMSA-N 432.398 2.795 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@H]3C2=O)cc1Cl 101168876 MEBIIUQNHNSIKG-RBUKOAKNSA-N 441.875 2.897 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 102332071 XEFHSALGGVOLTM-IBGZPJMESA-N 438.480 2.571 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nn1cnc2scc(-c3ccccc3)c2c1=O 102956035 HQJKWQCXDQZDPH-HZPDHXFCSA-N 448.504 2.536 0 40 IFAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)N=C3N=C(NS(C)(=O)=O)NN32)cc1 199430376 ZAUFPKJFTBNWBV-KRWDZBQOSA-N 431.905 2.526 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 219221640 GBSYXSSLGKVNIN-UHFFFAOYSA-N 432.889 2.995 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)CC1 223424630 ONIGXHUSDPZFME-UHFFFAOYSA-N 443.982 2.605 0 40 IFAB CCc1ccc(CC)c(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 225731711 JTLICVOCQQIHNX-UHFFFAOYSA-N 429.586 2.678 0 40 IFAB COc1cccc2c1OC1(CCN(C(=O)CCN3CCCC3=O)CC1)[C@H]1CCCO[C@H]21 257216807 CWDNPUVANYMZSW-PGRDOPGGSA-N 428.529 2.929 0 40 IFAB COc1cc(OC)cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](NC(C)=O)CC2)c1 257217008 CXCHDMSMXOBZOH-LSQMVHIFSA-N 440.540 2.811 0 40 IFAB Cc1cc2nc(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)[nH]c2cc1C 257271364 MXZQLCZGPKMBSO-FGZHOGPDSA-N 445.523 2.610 0 40 IFAB O=C(CN1C[C@H](O)[C@@H](N2CCC(F)(F)CC2)C1)Nc1ccc(OCc2ccccc2)cc1 257288648 PVBNTJUWMTVLLO-VXKWHMMOSA-N 445.510 2.980 0 40 IFAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 306131160 JXXSZYZOVRJIED-HOTGVXAUSA-N 435.459 2.703 0 40 IFAB O=C1S/C(=C\c2cccc(I)c2)C(=O)N1CN1CCOCC1 408732315 UJOREZNFHJZTFW-LCYFTJDESA-N 430.267 2.617 0 40 IFAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1 409170061 SEPDAPRRUSBBRX-UHFFFAOYSA-N 439.541 2.722 0 40 IFAB O=c1cc(CN2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)nc2ccc(Cl)cn12 560175488 RWUFLWNYDZNSMP-LJQANCHMSA-N 436.903 2.561 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NC[C@@H]3CCCN(C)C3)ccc21 643584290 LTHLHHBWSUOAGB-FQEVSTJZSA-N 444.620 2.791 0 40 IFAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 682416 IIUZIRKLZCMNNM-UHFFFAOYSA-N 442.497 2.920 0 40 IFAB O=C(OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCC2 3431260 RXZQAWHNGSNLLE-QGZVFWFLSA-N 433.551 2.610 0 40 IFAB CCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1 4875956 BTLXQPRKFMEKRX-UHFFFAOYSA-N 427.501 2.890 0 40 IFAB CCCOc1c(Br)cc(C(=O)N2CCN(c3ncccn3)CC2)cc1OC 8855609 SUHOZGMSZUHLEH-UHFFFAOYSA-N 435.322 2.999 0 40 IFAB CC(C)CCNc1nc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cs1 8918838 DDKLHUCLIGVOIC-UHFFFAOYSA-N 436.509 2.994 0 40 IFAB COC(=O)C1=NN(c2cccc3ccccc23)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 9075402 MVWMIPNHUXMCRQ-PZJWPPBQSA-N 429.432 2.756 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 9191165 HAQUIHMLJIJNFQ-HZPDHXFCSA-N 445.541 2.764 0 40 IFAB CCc1ccccc1N1C[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)CC1=O 9222669 FPLXZQINUWOZHA-LEWJYISDSA-N 440.565 2.818 0 40 IFAB COc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1O 9302839 RBNCACYYDMZDCI-QFIPXVFZSA-N 433.464 2.540 0 40 IFAB O=C(CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1)NC1CCCC1 9517876 CQPADDLIALUOBP-CYBMUJFWSA-N 445.570 2.681 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)NC(=O)NCCOC)nc3ccccc32)cc1 9635298 YBFSQHYDFWSGQK-UHFFFAOYSA-N 428.514 2.989 0 40 IFAB CNC(=O)c1c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)sc(C)c1C 10785808 INNGTUZYKFULLR-ZDUSSCGKSA-N 441.600 2.968 0 40 IFAB CC(=O)c1cccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccccc2)c1 11845036 MJKINLNHUSNEHV-UHFFFAOYSA-N 430.464 2.542 0 40 IFAB CCCn1ncc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1C 12242239 LPRHVULDWUXXNV-UHFFFAOYSA-N 427.574 2.914 0 40 IFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 12510343 OKTFBXUXRPZSHV-JOCHJYFZSA-N 442.903 2.615 0 40 IFAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 12568627 QNSRRHZTNDENHX-XSXQVXRUSA-N 433.622 2.918 0 40 IFAB O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 12615770 FBAKCRQEAWXKTO-UHFFFAOYSA-N 425.466 2.715 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2ccco2)C(=O)[C@]31C 12870450 LXKCZOWRFHAYSS-NPMABZOXSA-N 436.468 2.510 0 40 IFAB biogenic C[C@H]1CCCN(C(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)C1 12870661 MZNQXQXJESRYON-MAUKXSAKSA-N 428.558 2.981 0 40 IFAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 12908730 ZTTSROYYYOVKAG-AWEZNQCLSA-N 445.570 2.557 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1ccc(F)cc1 13032019 GNLAQGCGVGCPAO-OAHLLOKOSA-N 439.940 2.663 0 40 IFAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 13150052 PJJSIDAFCBJVOW-NRFANRHFSA-N 435.446 2.884 0 40 IFAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1F 15019745 STUFFMSIABVUEP-UHFFFAOYSA-N 449.533 2.651 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@H]1c1ccco1 15402566 BFPGTTFEWOXYJQ-FQEVSTJZSA-N 444.919 2.926 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 19292925 RIZIFIBRPMCKBR-INIZCTEOSA-N 428.483 2.722 0 40 IFAB Cc1cc(-n2c(C)cc(/C=C/C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)c2C)no1 19355611 YZDLBSIJKINNNZ-RUDMXATFSA-N 445.497 2.673 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19404972 XYEJFLAIZNFVFT-HXUWFJFHSA-N 435.528 2.607 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cn2cc(C)nn2)C1 19528940 IDRPMTZCIUPZOC-HSZRJFAPSA-N 437.569 2.913 0 40 IFAB Cc1ncccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 19582915 BHGZMPMTNGFADJ-NRFANRHFSA-N 449.555 2.916 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)nc2c1CC(=O)N2C 19743734 WYDCMDRLSYXDBP-QGZVFWFLSA-N 425.577 2.877 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1OC 20013084 HJWVHHJJBRADSM-CQSZACIVSA-N 438.571 2.924 0 40 IFAB COc1cccc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2nccn2C)c1 21901023 LMMHOVHRMGAOQZ-FQEVSTJZSA-N 429.498 2.658 0 40 IFAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 22914047 LRYKIFYUYKHXAA-PKTZIBPZSA-N 441.597 2.788 0 40 IFAB NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 23819828 OBSCGHYJOGTNII-LJQANCHMSA-N 442.510 2.989 0 40 IFAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCCCSc1ccc(F)cc1 24857795 AIIKAPWOEDQMNF-UHFFFAOYSA-N 429.521 2.815 0 40 IFAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 25573992 KKGYHJWUAVJSPF-LBPRGKRZSA-N 445.916 2.776 0 40 IFAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 30914753 ZTSBJWHEJOBVBJ-UHFFFAOYSA-N 448.488 2.974 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1N1CCOCC1)c1ccccc1 32017464 WSPWAHLRLISHJE-QHCPKHFHSA-N 444.535 2.576 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)Cc1ccc(OC(F)F)cc1)n2CC 32759253 XIMKWYKGPNOGAP-UHFFFAOYSA-N 435.475 2.940 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@H]1CCCc2ccccc21 32764684 ADURXVVVMILNDX-QGZVFWFLSA-N 434.583 2.548 0 40 IFAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 35445328 BAQHYWQSLKDELY-UHFFFAOYSA-N 435.908 2.887 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3N3C(=O)CSC3=O)[nH]n2)c1 38679692 ZLLWAYISKRMZOW-RHSMWYFYSA-N 444.513 2.830 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 40069402 GDFFOBQQMJSEMB-KRWDZBQOSA-N 449.598 2.603 0 40 IFAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C(N)=O)cnn32)c1OC 44891943 SNMWIUAFYSQWBT-IBGZPJMESA-N 433.468 2.927 0 40 IFAB CC(C)Oc1cccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)c1 44916271 AYKGVRDFXLTEEH-OAQYLSRUSA-N 432.542 2.750 0 40 IFAB CCN(CC)Cc1nc(C2(NS(=O)(=O)c3ccc(OC)c(F)c3)CCCC2)no1 48313182 AOQGSRHEMLXBKQ-UHFFFAOYSA-N 426.514 2.807 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)C1 48324950 GRYJLPYGFYBDFQ-DLBZAZTESA-N 448.539 2.602 0 40 IFAB CCOc1ccc(-n2ccn(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)c2=O)cc1 67256167 UMKVUEXBCALAKE-UHFFFAOYSA-N 429.860 2.699 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cc(F)ccc3F)c2C)c1 71327081 UWLFBRSWQHBFQA-UHFFFAOYSA-N 431.399 2.773 0 40 IFAB Cc1cc(-c2cc(=O)n(CC(=O)NC3CCCCCCC3)nc2C2CCNCC2)on1 72341075 NAPSGMNHUBJULZ-UHFFFAOYSA-N 427.549 2.903 0 40 IFAB CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2ccc3nccn3c2)CC1 89929984 DYGJFYLAKKOYJL-UHFFFAOYSA-N 426.542 2.826 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 95482743 YSOMCXAZQBOZKI-MRXNPFEDSA-N 430.936 2.885 0 40 IFAB Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)NC3CCCC3)CC2)O1 96243896 OUHPAWPBMHLXHW-LJQANCHMSA-N 438.532 2.567 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1cccc(F)c1 96521140 DBWUSOPXQADLMA-VHSXEESVSA-N 437.068 2.778 0 40 IFAB O=C(C1CC1)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1cccnc1)CC3 100233784 WSFYQXVSZSMFOC-OAQYLSRUSA-N 432.528 2.852 0 40 IFAB COc1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1S(=O)(=O)N1CCCC1 103040140 DSXXLQQXEHURFL-QZQOTICOSA-N 431.539 2.774 0 40 IFAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cc1 107271915 CNJZDKGJBSXVDW-RBDMOPTHSA-N 429.542 2.977 0 40 IFAB COc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1OC 220319136 PPDDLZPDGDECRI-HNNXBMFYSA-N 438.521 2.746 0 40 IFAB O=C(NCCN1CCOCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223078393 IRKAERXWSLMCFB-UHFFFAOYSA-N 427.932 2.995 0 40 IFAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)cc1 225401225 FLYJKAPBFYZXTL-RTBURBONSA-N 427.555 2.969 0 40 IFAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247748625 RESSSVYMVVHWDL-TVFCKZIOSA-N 427.382 2.706 0 40 IFAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 248381516 UCASHEFULBEDKL-NCXUSEDFSA-N 438.281 2.917 0 40 IFAB Cc1cccnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257244930 INJVDKFUVHQSQH-FXSPECFOSA-N 436.600 2.609 0 40 IFAB Cc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3CCC[C@H](C)C3)n2)o1 260715208 MMGJRURKQHGOMW-HNNXBMFYSA-N 430.578 2.938 0 40 IFAB CCNC(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 306142750 XIHJODYWJCKRNN-NTKDMRAZSA-N 427.545 2.918 0 40 IFAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1cc(Br)cs1 585147623 IAYKKORROZINKV-UHFFFAOYSA-N 442.360 2.974 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643555874 GNPLROHFEAKUTN-RUZDIDTESA-N 440.515 2.887 0 40 IFAB Cn1c(CCC(=O)NC[C@]2(O)CCCN(c3ccccn3)C2)nc2cc(Cl)ccc21 2037880044 QDYSNRGKALHWDC-JOCHJYFZSA-N 427.936 2.702 0 40 IFAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 2335817 UALFOULHTMDCAA-UHFFFAOYSA-N 437.312 2.795 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c(c2=O)SCC3)cc1 2719894 VHZQGSWRZPLMLT-INIZCTEOSA-N 447.582 2.667 0 40 IFAB O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 2959191 KGYILCAFUXKCDU-HUUCEWRRSA-N 425.919 2.543 0 40 IFAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O 3321569 RCGXCTHMJQPCAC-INIZCTEOSA-N 429.258 2.586 0 40 IFAB CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 3420166 MYHUXXBQFQAFBT-INIZCTEOSA-N 430.526 2.852 0 40 IFAB COc1ccc(C(=O)COC(=O)CN2CC(=O)Oc3ccccc32)cc1Br 4082794 OUCMMMUWSKLBRL-UHFFFAOYSA-N 434.242 2.609 0 40 IFAB aggregator COc1cc([C@@H]2c3cc4c(cc3[C@@](C)(O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 8614652 WFRLJGNYKYVMET-XAICUERPSA-N 428.437 2.583 0 40 IFAB CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C 8635377 JXOXGXQIRCBKEI-NSHGMRRFSA-N 432.590 2.603 0 40 IFAB biogenic,in-vitro O=C(NCc1ccc2c(c1)OCO2)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 8917173 YXJAEFWDSKWRJT-UHFFFAOYSA-N 445.884 2.763 0 40 IFAB NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 9204010 FKXSBSWWDCDFLB-AWEZNQCLSA-N 447.822 2.750 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1Cl 9282921 OWMNYVZNZZAGBI-HNNXBMFYSA-N 438.933 2.940 0 40 IFAB CC(C)c1ccc(-c2nnn(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)n2)cc1 9634751 CQQPJWYADQOOJW-UHFFFAOYSA-N 432.406 2.636 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(C(=O)NC2CC2)c1 9730496 VMDGGXNVOJRBBY-UHFFFAOYSA-N 441.553 2.935 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695322 CLVKDORHZSFEOC-UHFFFAOYSA-N 428.489 2.802 0 40 IFAB O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669469 TWMSKRDINLLWKF-UHFFFAOYSA-N 444.488 2.841 0 40 IFAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 12741241 OCSXYIGPZHQTBF-NHYWBVRUSA-N 433.313 2.694 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12781159 UJTHHYBOPRSIFI-ACGMVJLCSA-N 448.585 2.679 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3F)CC2)cc1 12868344 VLSQOBLLIYZGEO-UHFFFAOYSA-N 446.953 2.919 0 40 IFAB COc1ccccc1CNC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 12929108 CCOIPBDNQYVLJD-UHFFFAOYSA-N 432.476 2.952 0 40 IFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 13992412 PVRULAHCYVGQJW-UHFFFAOYSA-N 443.459 2.773 0 40 IFAB O=C1CCC[C@]2(CN(C(=O)CCc3nc(-c4cccnc4)no3)C[C@H]2c2ccccc2F)N1 19368167 YZMKKRDJKZSDOY-MHECFPHRSA-N 449.486 2.868 0 40 IFAB C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 19497292 AWGVHXXLUBKROU-HZPDHXFCSA-N 428.508 2.747 0 40 IFAB COc1ccc(OCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19556750 MPFUVZSGYDLDPQ-RRQGHBQHSA-N 439.438 2.892 0 40 IFAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(OC)c(OC)c2)C3)c(OC)n1 19560768 PAVYROQWYMCUTF-NWMVZANLSA-N 429.517 2.631 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)C2)ncc1C(=O)N1CCOCC1 19757767 UZUBEMGOPHSNOZ-JOCHJYFZSA-N 448.567 2.695 0 40 IFAB CCN1CCN(C(=O)COc2ccc(N(CC)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 19938050 ATSXUYOUPWDADZ-UHFFFAOYSA-N 445.585 2.753 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245730 KDXZYYSCYUEIBC-OAHLLOKOSA-N 432.546 2.710 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1-n1ccnc1)c1ccc(F)cc1 20455288 PPXZPFLNPYQLCM-UHFFFAOYSA-N 430.505 2.874 0 40 IFAB COc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1OC 21670231 FWYHFYITVBULFA-BJKOFHAPSA-N 440.540 2.661 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CCn3cnc4c([nH]c5ccccc54)c3=O)CC2)cc1 23125678 MOZKYNJMDJKCQM-UHFFFAOYSA-N 443.507 2.819 0 40 IFAB CCN(CC)[C@@H](CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1Cl 23546802 CBDRYUGCZJDUTP-FQEVSTJZSA-N 442.947 2.933 0 40 IFAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 23873168 RJMGFQANCBGNQN-ZHACJKMWSA-N 428.496 2.846 0 40 IFAB CC(=O)N1C[C@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)Oc2ccccc21 23908249 LESATMUKFRVYBN-HXUWFJFHSA-N 436.537 2.755 0 40 IFAB Cc1ccc(NC(=O)CSCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 24752076 IHCHQGGSKSLQGL-UHFFFAOYSA-N 434.583 2.930 0 40 IFAB CCCCc1noc([C@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1 24866140 XONHKBOXCGSTQE-NSHDSACASA-N 432.550 2.904 0 40 IFAB O=c1nc2s/c(=C/c3ccc(Br)cc3)c(=O)n2nc1Cc1ccc(F)cc1 26533983 UUHBNOZASFMUJL-MHWRWJLKSA-N 444.285 2.551 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c1 32768799 VOKSGOYUDKBWSP-LJQANCHMSA-N 433.530 2.794 0 40 IFAB O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 32865591 NZGSXWMOKDGQAS-SFHVURJKSA-N 444.520 2.920 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2)cc1C 33776320 DCRYVIBNCKHHIP-UHFFFAOYSA-N 439.537 2.906 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cc(C)oc2C)CC3)cc1 38633757 JFPCGOHQPMCVHP-UHFFFAOYSA-N 434.514 2.558 0 40 IFAB CCCN(CCC)S(=O)(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 40149780 IJDDXDYDFBWDST-UHFFFAOYSA-N 441.985 2.874 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3ccccc32)c(OC)c1 57525849 RMWMXKXRIANQEF-UHFFFAOYSA-N 425.485 2.865 0 40 IFAB CCn1nc(C)c2nc(SCC(=O)NC(C)C)n(Cc3ccc(OC)cc3)c(=O)c21 64817238 XKRDYBAKQSZLQL-UHFFFAOYSA-N 429.546 2.595 0 40 IFAB CCOc1ccc(NC(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)cc1 71772237 WKHCNAFCXVXVEQ-UHFFFAOYSA-N 442.520 2.767 0 40 IFAB CCN(CC)C(=O)CN(C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 72371023 TZVRNIVSHLQMQH-UHFFFAOYSA-N 427.524 2.704 0 40 IFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3cccs3)cc21 77115806 SEDFECGFDBLVJE-GOSISDBHSA-N 429.542 2.862 0 40 IFAB CN1CCCN(C(=O)c2ccc3ccc(N4CCN(C(=O)c5ccccc5)CC4)n3c2)CC1 96155994 XSFZRXARLSQZCO-UHFFFAOYSA-N 445.567 2.679 0 40 IFAB CCNC(=O)Cn1c(=O)/c(=C/c2ccc(Cl)c(Cl)c2)s/c1=C/C(=O)C(C)(C)C 96794442 PUNGCIRARDAHAT-PFVOVTSXSA-N 441.380 2.577 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)C1 100180244 WZKRWHFOROLCRA-QNZBDJHPSA-N 426.513 2.743 0 40 IFAB COc1ccc([C@@H]2[C@H](C(=O)O[C@H](C)C(N)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 108843242 JXUJEYSAOSCDJG-YBOAYWMSSA-N 440.496 2.914 0 40 IFAB COc1cc(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1O 205915160 FSOBPIOVBSJAFQ-NTUHNPAUSA-N 441.303 2.822 0 40 IFAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C[C@@H](C)O)c(OC)c1 206596717 YSZXBIRFSGYVAM-LLVKDONJSA-N 435.527 2.587 0 40 IFAB C[C@@H](C(=O)NCCCN1CCCc2ccccc21)N(c1cccc(F)c1)S(C)(=O)=O 220492404 XNAODUDOXUJECQ-KRWDZBQOSA-N 433.549 2.939 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223562131 CFVWKTICMUSPTC-LJQANCHMSA-N 445.585 2.623 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc3ccccc3c2)Oc2ccccc21 223620570 JTMIURAIVAJXRU-NRFANRHFSA-N 426.494 2.562 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1cccc(Br)c1 223640114 JOHIOGKOKWZMAX-UHFFFAOYSA-N 429.311 2.713 0 40 IFAB COc1cccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224129940 VBYXZOIWCHENDZ-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CSc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C(=O)N1CCOCC1 224323283 WNRDBPQGGWRZCM-MRXNPFEDSA-N 434.583 2.963 0 40 IFAB CCc1ccc(N(CCCC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1 224747260 NWMQLZWBCWWXSE-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224968039 CCZLUZMVMLSIHG-UHFFFAOYSA-N 427.862 2.504 0 40 IFAB Cn1cc(C(=O)NC[C@H]2CC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)CC2)ccc1=O 257234249 GSTPUHTXZGCRHZ-SPYBWZPUSA-N 428.558 2.646 0 40 IFAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)CN4CCCC4)CC3)[nH]c2C(N)=O)cc1 257319753 VTYIZVMTKNVBSO-SAABIXHNSA-N 439.560 2.670 0 40 IFAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2n(Cc2ccccc2)c1=O 257334050 YEIGRTAFWXNCMG-LJQANCHMSA-N 432.524 2.650 0 40 IFAB c1cncc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306142721 XHLNYFJKLZSBHX-HSZRJFAPSA-N 432.572 2.835 0 40 IFAB Cc1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 408613839 WINYFCSIIGVAKY-UHFFFAOYSA-N 425.348 2.836 0 40 IFAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O 409217918 RQFNXDRWYNDXDN-YVLHZVERSA-N 434.514 2.920 0 40 IFAB Cc1ccc(OCCCNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1 594813859 CDSAVQBQCYBMND-JOCHJYFZSA-N 438.572 2.961 0 40 IFAB C=CC(=O)N1CCC(C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)(c2ccccc2)CC1 1622827141 AZTSEHNVJUPUJQ-UHFFFAOYSA-N 444.597 2.693 0 40 IFAB O=C(NCC(F)(F)C1(O)CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1647848388 DYJGZPCEUFZJAW-SFHVURJKSA-N 444.544 2.675 0 40 IFAB COc1cccc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)NC4CC4)C[C@@H]2CO3)c1 1772594703 MDYKDDIXRBNUJX-LJQANCHMSA-N 436.512 2.551 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(CC3(O)CCN(c4ccccc4C)CC3)CC2)C1 2037846000 KQKHENYLIZLCED-QFIPXVFZSA-N 429.605 2.818 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)n1 2037912750 YDNFVXMTKVNUDE-JOCHJYFZSA-N 433.936 2.645 0 40 IFAB O[C@]1(COc2ccc(F)cc2)COCCN(Cc2cccc(OCCn3ccnc3)c2)C1 2037932425 IRLAOYNBGMMORJ-DEOSSOPVSA-N 441.503 2.744 0 40 IFAB O=C(C1CCC1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)CC1 1324874 ABQSECMQMUXCNK-UHFFFAOYSA-N 426.908 2.722 0 40 IFAB CCc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4CCOCC4)nnc23)cc1 3280412 IVTWAICKQQNBAP-UHFFFAOYSA-N 449.536 2.547 0 40 IFAB Cc1cc(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)n1C[C@@H]1CCCO1 3288498 HINAXHWSUGLQGW-SFHVURJKSA-N 449.507 2.980 0 40 IFAB O=C(COC(=O)c1ccccc1I)Nc1ccc2c(c1)OCO2 3391501 IEIILZQCEMUZNX-UHFFFAOYSA-N 425.178 2.815 0 40 IFAB Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)o1 9431320 QHDCUYPPWQXTEJ-HNNXBMFYSA-N 442.331 2.945 0 40 IFAB COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1OC 9490133 FWWSKYRBAHOZPF-UHFFFAOYSA-N 437.481 2.857 0 40 IFAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnnn2C)cc1OC 9491166 MQBTZMKOABJUCS-AWEZNQCLSA-N 444.542 2.759 0 40 IFAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 9740172 VCILJBNTHGCSAZ-HXUWFJFHSA-N 442.493 2.867 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9749693 GGSOHGYUOOFIFI-UHFFFAOYSA-N 433.512 2.728 0 40 IFAB COc1ccc(C(=O)N2CCC[C@H](Cn3cc(C(=O)NCc4ccccc4F)nn3)C2)o1 12185772 QFFVYWVMATXSQP-HNNXBMFYSA-N 441.463 2.501 0 40 IFAB COc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1S(N)(=O)=O 12765009 OEWUCEVIEDTHBQ-UHFFFAOYSA-N 433.511 2.939 0 40 IFAB CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1C 12893073 IOSAZKOERPLFJJ-CBGDNZLLSA-N 432.929 2.952 0 40 IFAB C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[C@@H]1C 13057474 XTLWQNKCRURYSP-GPMSIDNRSA-N 427.998 2.587 0 40 IFAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1Cl 13097835 JTYDTEYRCUNMBU-UHFFFAOYSA-N 449.287 2.983 0 40 IFAB O=C1C[C@H](c2ccccc2)N2NC(NC(=O)COc3ccc(Cl)cc3Cl)=NC2=N1 13127379 GYBKTQANUDFVHD-CQSZACIVSA-N 432.267 2.692 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 13149123 QUVCWTOXRRVONE-MCMMXHMISA-N 427.432 2.781 0 40 IFAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1 13306900 LRWVHTYSXNTCON-GRDNDAEWSA-N 430.404 2.869 0 40 IFAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 14201830 NOXGWPYPRZZNRM-UHFFFAOYSA-N 426.510 2.898 0 40 IFAB O=C(c1cccs1)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCC3)[nH]c2=O)C1 19342844 DPWWVMFAHHJFOA-QGZVFWFLSA-N 426.542 2.884 0 40 IFAB COc1ccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 19497311 CCYURNUAGQVJKK-HOTGVXAUSA-N 426.517 2.688 0 40 IFAB COc1cc(CN2CCC(c3ccc(-c4cnn(C)c4)cn3)CC2)ccc1OCC(N)=O 19688087 ZTTVHMNSQDFZKU-UHFFFAOYSA-N 435.528 2.734 0 40 IFAB COc1ccc(CC(=O)N2CCC(c3nc(N(C)C)ncc3-c3cncnc3)CC2)cc1 19694809 BVMVJMQCXYPMLD-UHFFFAOYSA-N 432.528 2.957 0 40 IFAB NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CCCNc2ncccn2)CCO1 19697539 PNALGQVFDAXPQD-HNNXBMFYSA-N 425.514 2.582 0 40 IFAB COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)Cc2ccc(F)cc2)C3)c1 19701072 ISZAERPFMVQGCZ-UHFFFAOYSA-N 448.498 2.869 0 40 IFAB CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19707891 MBTVYYZBCRZAQY-GOSISDBHSA-N 439.535 2.901 0 40 IFAB COc1cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c(OC)cc1Cl 20245394 KXVIAAWISHDRMU-UHFFFAOYSA-N 445.900 2.748 0 40 IFAB Cc1c(O[C@H](C)C(=O)NCCN2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 20546460 GWFXOVOEHOWTHY-GOSISDBHSA-N 436.508 2.984 0 40 IFAB biogenic COc1ccc(OC(=O)CSc2nc(-c3ccc(OC)cc3)nc3cc(=O)[nH]n23)cc1 21885441 GJKYUKXDEWLYJU-UHFFFAOYSA-N 438.465 2.800 0 40 IFAB CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)OC(C)(C)C 22048188 SLEOTGKREMTOTD-INIZCTEOSA-N 430.586 2.811 0 40 IFAB in-vitro CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)NCc2cccnc2)cc1 22233469 AQZVVQLSMROFCU-UHFFFAOYSA-N 443.500 2.882 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc(C(C)C)c2cnn(-c3ccc(F)cc3)c12 23137728 AFJGCLPJCCFTRA-UHFFFAOYSA-N 431.493 2.849 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)CSc1ccncc1)CSC2)NCc1ccco1 23139345 FXMDKTHLECCLAS-UHFFFAOYSA-N 429.527 2.665 0 40 IFAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 24085745 KSRFRZRDADKCRH-MHECFPHRSA-N 440.496 2.672 0 40 IFAB O=C(O)c1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 28218277 ZFDWLVQKWBVZBO-AFUMVMLFSA-N 426.432 2.907 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 32123922 VADTYELJKXAGLQ-UNMCSNQZSA-N 434.496 2.860 0 40 IFAB biogenic COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(Br)c(C)c3)C2=O)cc1 32736628 VBMHCGRALVWGPF-UHFFFAOYSA-N 446.257 2.700 0 40 IFAB CC(=O)N[C@H](Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2cccs2)CC1 35315445 KHFPPPOCFFQLBF-GOSISDBHSA-N 433.961 2.870 0 40 IFAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCSCC1 46027628 RXZXKYPOMGZLAS-UHFFFAOYSA-N 433.599 2.626 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccn(Cc3cn4ccccc4n3)n2)CC1=O 58166363 UKKCMWLNOSIDMO-KRWDZBQOSA-N 444.495 2.969 0 40 IFAB C[C@H](C(=O)N1CCCCCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 72326596 VRYCKLGPGGCEPL-IVZQSRNASA-N 432.952 2.995 0 40 IFAB CC(C)(CNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O 95993643 CAWOMKDUNDXIEY-KBPBESRZSA-N 426.970 2.934 0 40 IFAB Cc1ccccc1NC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 96251315 RUTQISKDKFRPAB-YKSBVNFPSA-N 438.576 2.563 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102698187 YAASJXNTQJOKMF-HDICACEKSA-N 433.464 2.837 0 40 IFAB O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1csc(I)c1 107541839 BWAAWVZMZQJGFK-LSDHHAIUSA-N 442.322 2.718 0 40 IFAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NC2CCN(C)CC2)S1(=O)=O 219186607 NSMTWGKIISLORO-UHFFFAOYSA-N 425.554 2.826 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220199636 GGNVRLHZZSFYRK-NSHDSACASA-N 429.420 2.598 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1 222610398 VBSMUSGYUCICNN-LJQANCHMSA-N 443.569 2.659 0 40 IFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-n1cnnc1 223488336 GNXDDCCYOSXUKT-SFTDATJTSA-N 430.541 2.971 0 40 IFAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 224928696 KKNJMDIVSDQZPT-UHFFFAOYSA-N 429.542 2.701 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1=O 245284443 RVKCMPYSZJYMFU-RCFCFVIZSA-N 428.529 2.921 0 40 IFAB Cc1nc(N)ncc1C(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257319633 VTJVEDDWTPTVKW-LJQANCHMSA-N 442.907 2.579 0 40 IFAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 260897606 JFDNHUSBRIOJAL-GDBMZVCRSA-N 438.933 2.759 0 40 IFAB Cc1ncsc1CN1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 306132169 LAPXEBKOFGIQSF-ZWKOTPCHSA-N 442.566 2.683 0 40 IFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408598410 ZXHHGSPHYLWDNL-OALUTQOASA-N 446.569 2.612 0 40 IFAB COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 408606400 KEZLLYKWSGEPMW-CQSZACIVSA-N 426.922 2.695 0 40 IFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)s1 408688250 QGMBNYNAXCLBFP-UHFFFAOYSA-N 441.307 2.818 0 40 IFAB Cc1c(CC(=O)Nc2cccc(OCCN3CCOCC3)c2)c(=O)oc2cc(O)ccc12 524732010 SWSCLNMTRYIHOC-UHFFFAOYSA-N 438.480 2.699 0 40 IFAB biogenic Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4cc(Cl)ccc4C)C[C@H]23)n1 1549162710 VBDWTPDCRWBZJM-KRWDZBQOSA-N 442.907 2.674 0 40 IFAB O=C(Cc1ccc(F)cn1)N1Cc2ncn(CC3CC3)c2[C@H](COCC2CCOCC2)C1 1614936351 KJUPQRIWVBDRQD-IBGZPJMESA-N 442.535 2.939 0 40 IFAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1775972449 GVFDBVWPOUYONV-UHFFFAOYSA-N 444.491 2.602 0 40 IFAB O=C(NCC(F)(F)F)[C@@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226449 RRFVIHLMWONAHM-HOCLYGCPSA-N 426.357 2.744 0 40 IFAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(c5cc(C(F)(F)F)nc(C)n5)C[C@H]4C3)ncn2)n1 2086869114 TYIFLIMIFFRGRJ-HZPDHXFCSA-N 444.465 2.969 0 40 IFAB COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccc(OC)cc1 2724076 AERJEWBKMSIVMP-UHFFFAOYSA-N 426.498 2.779 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 3433728 UBYQNOWZGFPWLT-UHFFFAOYSA-N 445.493 2.672 0 40 IFAB CCN1CCN(C(=S)c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)CC1 6953505 SSYZOKCBNIPWBJ-UHFFFAOYSA-N 427.570 2.703 0 40 IFAB COc1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)Nc5ccccc5)CO[C@H]34)n2)cc1 8297320 YNODLHVAUNEFAU-FNAHDJPLSA-N 447.495 2.921 0 40 IFAB biogenic,in-vitro Cc1nn(CC(=O)N[C@H](C)c2ccco2)c(C)c1S(=O)(=O)N1CCc2ccccc21 8735141 VZVPDWXXROMXIB-CQSZACIVSA-N 428.514 2.722 0 40 IFAB CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(C(=O)C3CC3)CC2)[C@H]1c1ccccc1OC 8853220 YNIZTRQYJKWCOQ-NFBKMPQASA-N 441.572 2.856 0 40 IFAB CCOC(=O)[C@H](CSCCCN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 8873885 WMSSBGGUKFINNY-INIZCTEOSA-N 436.530 2.862 0 40 IFAB C=C1c2cc3c(cc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)OCO3 9347961 GOTDJGGZRIPBLQ-UHFFFAOYSA-N 426.494 2.869 0 40 IFAB CCOC(=O)CCC(=O)Nc1scc2c(C(=O)OCC)nn(-c3ccccc3)c(=O)c12 9381295 AZOLVIYBRNKJGU-UHFFFAOYSA-N 443.481 2.906 0 40 IFAB CN(CC(=O)NC[C@H](c1ccccc1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 9691296 AXZDBYBAGOKSGK-HXUWFJFHSA-N 435.977 2.914 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)Oc2ccccc21 10009222 SCWOOAIQHNVKDM-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3ncncc3-c3cc(C)no3)C2)cc1 12127903 IFVHSCJJPHVBGJ-INIZCTEOSA-N 441.513 2.967 0 40 IFAB O=C(O)CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH]c1=O 12347408 PSSSMJPZUZREGQ-UHFFFAOYSA-N 436.799 2.585 0 40 IFAB Cc1ccc(CNC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 12447712 MOEANBOFJZYTQT-UHFFFAOYSA-N 428.492 2.789 0 40 IFAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12525079 KEEUMKOVYNJERQ-UHFFFAOYSA-N 430.917 2.877 0 40 IFAB CC(C)(C)C(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 12560844 BIVOESJIAAZNDX-UHFFFAOYSA-N 432.498 2.604 0 40 IFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 12929674 HANMYYBIDCUGKY-HNNXBMFYSA-N 447.948 2.906 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)c1 12935843 RBIBBBUPFBYOGC-UHFFFAOYSA-N 430.505 2.999 0 40 IFAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccccc1C(=O)NCC(F)(F)F 13008614 MKOQINGASIJLHQ-UHFFFAOYSA-N 440.422 2.562 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C 13120407 VORHMTMOXLMAEF-UHFFFAOYSA-N 434.540 2.827 0 40 IFAB COc1ccc(C(NC(=O)COc2ccc(-n3cnnn3)cc2)c2ccc(OC)cc2)cc1 13163888 LWFOHABPNAKJRT-UHFFFAOYSA-N 445.479 2.964 0 40 IFAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)c2cccc(C)c2C)no1 13505883 SEYHQYGDBOIKSH-GOSISDBHSA-N 442.516 2.647 0 40 IFAB O=C([C@H]1CN(C(=O)c2ccccc2Br)c2ccccc2O1)N1CCOCC1 16964212 FPWBDLWIALDGDY-GOSISDBHSA-N 431.286 2.716 0 40 IFAB COc1cc(OC)cc([C@H](NS(=O)(=O)c2cccc3nsnc23)c2nccn2C)c1 19099415 WLLBRWXVNQQDAR-KRWDZBQOSA-N 445.526 2.510 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccnc(N4CCCC4)n3)[C@H](CN(C)C)C2)cc1C 19214323 ISGLUGDVOURKMA-TZIWHRDSSA-N 443.617 2.660 0 40 IFAB COCc1ccc(C(=O)N2CC[C@H](C(=O)c3cnn(-c4ccc(OC)cc4)c3N)C2)cc1 19594382 JRYZHIPTODLIFW-SFHVURJKSA-N 434.496 2.955 0 40 IFAB O=C(Cn1cc(C(=O)NC2CCCCC2)ccc1=O)Nc1cccc(Cn2cccn2)c1 19746049 YXFMVKQQGIXRIV-UHFFFAOYSA-N 433.512 2.794 0 40 IFAB Cc1cccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 19990949 NZVBMUFPFXGYRT-YRNVUSSQSA-N 427.570 2.619 0 40 IFAB COC(=O)[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O)C(C)C 20733509 NHZLCYVMDNFCPW-OAQYLSRUSA-N 447.491 2.934 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1OC 22246608 PMYOEMFKLLYNEB-IBGZPJMESA-N 432.542 2.606 0 40 IFAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 22523241 XXTMRFYFVUNWMA-UHFFFAOYSA-N 438.918 2.873 0 40 IFAB O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)NCc1ccc(Cl)cc1Cl 22788600 GJMUZPSUAXPBLI-UHFFFAOYSA-N 441.403 2.630 0 40 IFAB CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1 24593471 YRKOPCXUGGWJRX-UHFFFAOYSA-N 429.473 2.918 0 40 IFAB O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 26771074 YDHRVCGJXOVLIU-UHFFFAOYSA-N 430.210 2.612 0 40 IFAB O=c1c2ccccc2nc(CN2CCOCC2)n1C[C@@H](O)c1cccc(Br)c1 32810177 REHJHZWUZJCBEF-LJQANCHMSA-N 444.329 2.725 0 40 IFAB COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccccc2)N2CCCCC2)cc1 36684926 MSDFYVJPJVDZKI-QFIPXVFZSA-N 445.585 2.707 0 40 IFAB CSc1ccccc1C(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 56936736 WMDSKVAWIZLRJG-KRWDZBQOSA-N 448.614 2.544 0 40 IFAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)N[C@@H]1CCc2ccccc21 57507166 YKYGVNPYGDSYLP-OAHLLOKOSA-N 427.555 2.819 0 40 IFAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2cccc(F)c2F)C[C@@H]1C(=O)N(C)C 72334376 APWHMUTYQZTZKD-DVECYGJZSA-N 443.494 2.608 0 40 IFAB CC1(CN2CCOCC2)CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1 89919460 LOLNGKUMPCQKDQ-UHFFFAOYSA-N 429.561 2.691 0 40 IFAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2CCCO)cc1NS(C)(=O)=O 95451466 UIHGJZLQVCCIPU-UHFFFAOYSA-N 428.514 2.729 0 40 IFAB CN(C(=O)COC(=O)CSc1ccncc1)c1ccccc1C(=O)NCc1ccco1 95466497 GLVKIMALPVSYOV-UHFFFAOYSA-N 439.493 2.903 0 40 IFAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O 96144347 ZTZNEBWMFZVUQX-NRFANRHFSA-N 439.647 2.729 0 40 IFAB COc1cc(CCC(=O)N2Cc3nc4c(C)c(-c5cccs5)nn4c(O)c3C2)on1 100215521 IONUWGQHMBWKIB-UHFFFAOYSA-N 425.470 2.943 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 223653605 QNRZTRKIKJMDIA-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 223715280 AJZSBYVBJVTAMH-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223777850 LEJYKYKTBUXHPO-UHFFFAOYSA-N 441.918 2.614 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224125757 BMGIPHFTMZSGLY-NRFANRHFSA-N 445.585 2.559 0 40 IFAB Cn1c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc(=O)n(C)c1=O 257276224 NSWNOPHKWANWLZ-KRWDZBQOSA-N 442.903 2.684 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)nc(C)c1CC(=O)NC1CCCCC1 257276592 NUKHXQHYPZTSBD-RXVVDRJESA-N 428.577 2.970 0 40 IFAB O=C1CCCN1CCCC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCCCCC2)CC1 257286069 PKBBJPIDOQPBNC-UHFFFAOYSA-N 429.565 2.535 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2Cl)cc1 408550197 BEIIPSHXWTWYKA-UHFFFAOYSA-N 438.267 2.864 0 40 IFAB COc1ccccc1-n1c(O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=S 2144842 UJSCLCJAACODOQ-MRXNPFEDSA-N 442.449 2.886 0 40 IFAB biogenic COc1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc(OC)c1C 2617072 XJUYVTWOLWHOMA-UHFFFAOYSA-N 432.542 2.776 0 40 IFAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 8709135 GKIHHKKQLCOTHL-GXFFZTMASA-N 444.376 2.623 0 40 IFAB COc1cccc(C(=O)N(CCS(=O)(=O)N2CCCCCC2)Cc2ccccn2)c1 9061042 ADSWSJLMUZEOKD-UHFFFAOYSA-N 431.558 2.938 0 40 IFAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)oc2c1C 9194738 ASMUVPVXEHHXPX-UHFFFAOYSA-N 442.493 2.683 0 40 IFAB COc1cc(NC(C)=O)c(C(=O)OCC(=O)N2CCSc3ccccc32)cc1OC 9223309 CMZZDPCSCMOYEB-UHFFFAOYSA-N 430.482 2.958 0 40 IFAB NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 9336677 ZCYGCPCUZYCOQY-LJQANCHMSA-N 426.904 2.544 0 40 IFAB COCCn1c(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc21 9415976 WEXJKQCOTPJFCG-UHFFFAOYSA-N 447.582 2.996 0 40 IFAB CN1CCN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccc(Cl)cc2)cn3C)CC1 9435331 BNNXNJBATGBIQP-UHFFFAOYSA-N 449.935 2.916 0 40 IFAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 9619251 PISYXHYUTGDHDW-AWEZNQCLSA-N 429.970 2.549 0 40 IFAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 9634899 GSBKBZJQKHRXDS-CYBMUJFWSA-N 439.921 2.865 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 9638740 PFTGWKCRZFKZBE-OAHLLOKOSA-N 428.543 2.980 0 40 IFAB COc1c(C)cc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c(C)c1C 9661049 DGHMWZIABJGAMW-UHFFFAOYSA-N 445.516 2.962 0 40 IFAB CCOC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9703752 KBJDOBNVQZDNKD-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB CCn1c(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)nc2ccccc21 10652033 NOCVXGFGRTUWBX-OAHLLOKOSA-N 437.525 2.856 0 40 IFAB COc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 11002656 RLXPRDBZRRYEDL-UHFFFAOYSA-N 431.558 2.727 0 40 IFAB Cc1sc(NC(=O)CCn2cnc3c(cnn3C)c2=O)nc1-c1ccc(F)c(F)c1 11149045 GBKRQIBKTDHQEV-UHFFFAOYSA-N 430.440 2.869 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1 11406994 ITMYSFNDIMRBES-UHFFFAOYSA-N 437.521 2.808 0 40 IFAB COc1ccc2c(c1)NC1(CCN(C(=O)c3cccc4ncccc34)CC1)NS2(=O)=O 12142592 NZTBQVARIQVTRY-UHFFFAOYSA-N 438.509 2.580 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)c(Br)c1 12521041 YDKUZZQTZOOYGY-UHFFFAOYSA-N 427.276 2.526 0 40 IFAB CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1 12552145 RBRVPHIWADDVLH-UHFFFAOYSA-N 426.516 2.572 0 40 IFAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12887113 PKUDSXYJZQIYDI-HNNXBMFYSA-N 449.523 2.787 0 40 IFAB CC(C)C[C@H](C(=O)OCC(=O)N1CCC(c2ccccc2)=N1)N1C(=O)c2ccccc2C1=O 13070943 PAMZZAHADWIZMV-OAQYLSRUSA-N 447.491 2.877 0 40 IFAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCCc2ccccc21 13109850 MRMXLSYGNXNWQQ-LDADJPATSA-N 425.554 2.584 0 40 IFAB O=S(=O)(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc2c(c1)OCCO2 13592609 CSVBTVUTIRJNPG-UHFFFAOYSA-N 448.810 2.651 0 40 IFAB O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13848277 TZVFXVVNJBVCQL-UHFFFAOYSA-N 444.904 2.549 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 14425136 CUJRNSFLNRZLAF-IBGZPJMESA-N 443.569 2.745 0 40 IFAB CCCn1c(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 15226205 FPLJNCKYCSWWGQ-UHFFFAOYSA-N 428.489 2.793 0 40 IFAB O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(Cc2ccccc2)CC1 15345102 WBMNIDHKOHAONU-UHFFFAOYSA-N 439.537 2.716 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 17333397 HJNAUFDPIGPKBM-UHFFFAOYSA-N 431.558 2.525 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3cccnc3)CC2)on1 19123063 WKNKZGJRLDFYCE-UHFFFAOYSA-N 434.500 2.691 0 40 IFAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2=O)C1 19347654 DMMYJTYUUPOZKW-MRXNPFEDSA-N 438.503 2.614 0 40 IFAB CCN1CCN(C(=O)CCn2cnnn2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527600 GPESKWPZMWQFFW-JOCHJYFZSA-N 446.555 2.588 0 40 IFAB CCOc1ccccc1Cc1ccc([C@@H]2CN(C(=O)c3cnc(N)nc3C)CCO2)nc1 19692320 UYKWUNDNIBKQSY-QFIPXVFZSA-N 433.512 2.965 0 40 IFAB COc1ccc2c(c1)C=C(C(=O)N1CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CO2 19757832 PWGDUUGMEIAYFT-QGZVFWFLSA-N 448.523 2.822 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)n1 19762296 VOWMRSPGNLFCKR-FQEVSTJZSA-N 437.500 2.597 0 40 IFAB COc1ccccc1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 20452676 GYKPTXKSHXEGDU-LJQANCHMSA-N 438.933 2.625 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 21916299 UAGITYXPEKSUGK-KRWDZBQOSA-N 441.528 2.926 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 22021524 JBWXMKCNMJAXOQ-UHFFFAOYSA-N 432.405 2.935 0 40 IFAB C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N1CCN(Cc2ccccc2)CC1 22024815 SBRIJIJWRLLXIS-MRXNPFEDSA-N 426.521 2.626 0 40 IFAB O[C@@H](COC[C@@H]1COc2ccccc2O1)CN1CCN(Cc2ccc(Cl)cc2)CC1 22030606 FQXSWLMJBJZVIL-NHCUHLMSSA-N 432.948 2.675 0 40 IFAB CC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 22790341 VNESRLLIBDJOIR-UHFFFAOYSA-N 428.920 2.737 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCCOc1ccc(Br)cc1)C2=O 23652978 ZWEWHXPIRAOSFJ-UHFFFAOYSA-N 439.306 2.872 0 40 IFAB CCc1ccc(C(=O)N2CCN(C(=O)CCn3c(=O)n(CC)c4ccccc43)CC2)cc1 25468701 OAPIGVRBFRJTKY-UHFFFAOYSA-N 434.540 2.760 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 25843848 YPMCMZZLDJVYFH-UHFFFAOYSA-N 430.505 2.777 0 40 IFAB Cc1csc(=O)n1CCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 32808585 CRKVYDDXYGAXQJ-UHFFFAOYSA-N 449.598 2.762 0 40 IFAB C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 32860153 YVDWXQRHZMPDLV-KGLIPLIRSA-N 430.455 2.988 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCC(O)CC2)cc1 33012159 KRNBZTFJGJSDJF-UHFFFAOYSA-N 428.514 2.790 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OC)C2=O)o1 33536842 QEVNWSCVCHUEPS-SDQBBNPISA-N 435.776 2.729 0 40 IFAB O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1)NC1CC1 35380233 OZNXOBLRQDKJDV-UHFFFAOYSA-N 429.524 2.576 0 40 IFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1cccc(OCc3cccnc3)c1)CC(=O)N2 36360321 MWYUEJSJSPIAOV-SFHVURJKSA-N 428.452 2.712 0 40 IFAB COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccncc5)no4)ccc3c2=O)cc1 38655349 NSQYFECGIBLQFP-UHFFFAOYSA-N 427.420 2.859 0 40 IFAB CCOc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)cc1 40478040 FPIMRLFRFUAKCF-UHFFFAOYSA-N 438.875 2.727 0 40 IFAB Cc1ccccc1C(=O)C1CCN(c2ccc(C(=O)NC[C@@H](O)c3cccnc3)nn2)CC1 45390446 OJLASFAHNJPVLA-JOCHJYFZSA-N 445.523 2.743 0 40 IFAB O=C(NCc1cccnc1-n1cncn1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 48234636 RLJANKMSVAQLJZ-OAHLLOKOSA-N 431.422 2.609 0 40 IFAB COc1cccc([C@@H](C)NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)c1 49400880 MSYRLAWLHGAMMW-GOSISDBHSA-N 446.551 2.996 0 40 IFAB COCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 57485905 UEBGPNGQGZQOPW-UHFFFAOYSA-N 427.404 2.529 0 40 IFAB COc1cccc([C@@H](C)NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1 67317120 SGUYBOASLWJQEH-CQSZACIVSA-N 427.530 2.729 0 40 IFAB O=C(NCC[C@@H](O)c1cccc2ccccc12)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 77118849 KMILULAQYVRRPM-JOCHJYFZSA-N 443.503 2.854 0 40 IFAB CCOCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 96145856 JBJRJGQZVAXRCA-PMACEKPBSA-N 444.553 2.666 0 40 IFAB O=C(Nc1ccc2nccnc2c1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101421002 IBHJRNCYMYGFMY-IUCIOQMXSA-N 438.487 2.987 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NC[C@H](O)c3ccccc3)CC2)cc1 101509102 HEUPQPBHWIIXPE-KPLVRAHFSA-N 446.569 2.630 0 40 IFAB CN(CCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 219269607 ZENUNRCOHXHNFW-QFIPXVFZSA-N 443.613 2.914 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1=O)c1cccc(N2CCCCS2(=O)=O)c1 224391589 MCXDJLVUOCWOOR-UHFFFAOYSA-N 441.553 2.669 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224645168 OHKOBZAMLQMSKR-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(N2CCCC2=O)c1)Cc1ccccc1Cl 225524360 SEPSDSCWJXAJIP-UHFFFAOYSA-N 449.960 2.545 0 40 IFAB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 225638487 MQMKXCLFZIEFCN-LLVKDONJSA-N 445.316 2.509 0 40 IFAB COC(=O)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@]5([C@@H]3CC[C@@]21C)[C@H](OC)O4 253596091 NAWSESIXRIDTIN-OCXROFOGSA-N 436.545 2.970 0 40 IFAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)OC[C@]1(C)O 257223583 DXZVGZFHPFXTDB-UNMCSNQZSA-N 430.476 2.737 0 40 IFAB Cc1nc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)co1 257247493 IZGNDZCAVKTBAT-JXFKEZNVSA-N 447.919 2.795 0 40 IFAB COc1ccccc1[C@H]1CN(CC(=O)Nc2ccnn2C2CCCC2)CCN1C(C)=O 257286167 PKOCOIPJRRGYJG-HXUWFJFHSA-N 425.533 2.851 0 40 IFAB CC(C)c1nc2c(s1)CN(C(=O)Cc1ccco1)CC21CCN(S(C)(=O)=O)CC1 306128046 GORAJWLFGKHJSO-UHFFFAOYSA-N 437.587 2.738 0 40 IFAB Cc1cc(C)cc(CN2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)c1 306137658 RCNNHPLIVUBNEL-RUZDIDTESA-N 434.515 2.658 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3OC)C2)cc1 408562051 XIWDEEMGRIOGTD-SFHVURJKSA-N 432.542 2.811 0 40 IFAB CCOC(=O)Nc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC 408585375 FUHXMGXWBNPISX-UHFFFAOYSA-N 438.502 2.802 0 40 IFAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 408616984 BXJYJVWLAOFXFF-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)c1 1631765668 OZTBRRYNLHVOMK-RUZDIDTESA-N 436.508 2.525 0 40 IFAB O=C(COC(=O)c1nc(Cl)ccc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 3367424 UMSMVYFDQHBEKI-UHFFFAOYSA-N 426.212 2.665 0 40 IFAB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 8920041 SSQZNABFZGCEBZ-BFUOFWGJSA-N 449.481 2.728 0 40 IFAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 9192686 HRPDMIKNTMHGSX-UHFFFAOYSA-N 449.401 2.716 0 40 IFAB O=C(CCNS(=O)(=O)c1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9468288 PZAGCOLRXSOJCA-UHFFFAOYSA-N 447.504 2.784 0 40 IFAB CCOc1ccccc1OCCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 9544720 VVTYNJXCYRFNNQ-UHFFFAOYSA-N 432.542 2.777 0 40 IFAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O 9783220 KEXHFAZYDLLCFR-GYCJOSAFSA-N 437.496 2.882 0 40 IFAB Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)s1 9841975 UWPAOIRWKPUCOY-GFCCVEGCSA-N 438.527 2.546 0 40 IFAB C[C@H]1C[C@H](NC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)CC(C)(C)C1 10219679 WWDUYCDOJXDBMC-GJZGRUSLSA-N 444.557 2.570 0 40 IFAB O=C(NC1CCN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1)c1ccccc1 10783193 HOCQYYWXDHCQAW-UHFFFAOYSA-N 441.837 2.942 0 40 IFAB O=C(COC(=O)c1cncc(Br)c1)Nc1cc(Cl)ccc1-n1cncn1 11027813 ONGLGBBVIIXNDE-UHFFFAOYSA-N 436.653 2.874 0 40 IFAB C[C@H](NC(=O)CSc1nnc(N2CCCC2)n1C1CC1)c1ccc2c(c1)OCCO2 11780704 ASWPLAQPZQAHPE-AWEZNQCLSA-N 429.546 2.954 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 12085725 HMLFFJCMODNTTG-YIGJPRQDSA-N 425.529 2.699 0 40 IFAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12185562 SFFJMDLAXMGZHH-IBGZPJMESA-N 449.536 2.592 0 40 IFAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccco1 12233399 AITPOBPTNFRFQS-AWEZNQCLSA-N 425.445 2.668 0 40 IFAB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CN1C(=O)NC2(CCCC2)C1=O 13039474 QGILCUABKMDRCM-INIZCTEOSA-N 428.533 2.734 0 40 IFAB Cc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=S 13073613 GBSSPSHVLUKGDZ-UHFFFAOYSA-N 447.561 2.815 0 40 IFAB O=C(NCCCN1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13612237 FGDLZTRTALHFST-JOCHJYFZSA-N 443.569 2.635 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(C(=O)c2ccco2)CC1 14158006 MSBPRXTYZPZWFX-UHFFFAOYSA-N 433.892 2.891 0 40 IFAB CSCC[C@@H](C(=O)NCCn1c(C)nc2ccccc21)N1C(=O)c2ccccc2C1=O 15135859 YXFRDCKUSKLJOM-FQEVSTJZSA-N 436.537 2.879 0 40 IFAB COc1ncc(CN2CCC[C@@H]([C@H]3[C@H](C(=O)Nc4ccccc4OC)CCN3C)C2)cn1 19590207 PVKJKGRJHUIIHO-KNKQGSTJSA-N 439.560 2.665 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O 19699785 SRCSIYFZXKGLAM-NRFANRHFSA-N 440.588 2.653 0 40 IFAB COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccc(F)cc2)CC1 19743664 LOXYORZJMBNGNT-UHFFFAOYSA-N 425.508 2.819 0 40 IFAB COc1cc(C)ccc1OCC(=O)N1CC[C@H](c2ncc(C(=O)N3CCCC3)c(C)n2)C1 19757383 PWPZHYGTPAWYMK-SFHVURJKSA-N 438.528 2.733 0 40 IFAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 22932402 JXZFBLFERGXZLO-OAQYLSRUSA-N 447.988 2.818 0 40 IFAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1 22938305 DGMARPYRGNLGJY-UHFFFAOYSA-N 436.512 2.719 0 40 IFAB CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccco3)no2)n([C@H]2CCS(=O)(=O)C2)n1 22992767 LEACYEJGCAKCGZ-ZDUSSCGKSA-N 447.517 2.755 0 40 IFAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 27256312 OFKWEVOZOQMQTF-IBGZPJMESA-N 444.582 2.710 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c1 31066106 ORBSFERZXMIOHO-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 31348521 NHLJQEJSXXPCOW-UHFFFAOYSA-N 426.423 2.722 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)Nc1cccc(N2CCCC2=O)c1 32856052 ZAGXJJWCLFHOLL-VWLOTQADSA-N 446.507 2.926 0 40 IFAB C[C@@H]1CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C[C@@H](C)O1 32899242 UOWBTIDFDKETCX-IAGOWNOFSA-N 449.548 2.856 0 40 IFAB Cc1cc(=O)nc2sc(N3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)nn12 32909770 QJWPUXCCMAZVHC-UHFFFAOYSA-N 427.574 2.715 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092931 MFKHXFHMYVBDGS-FRQCXROJSA-N 440.374 2.513 0 40 IFAB COc1ccc([C@H]2CCCCCN2CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 36384052 FNGZRGLXURCRQV-JOCHJYFZSA-N 444.620 2.671 0 40 IFAB COc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 38771949 HBJMQHSNVCMMBW-UHFFFAOYSA-N 443.481 2.917 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44851514 AVGFVSMUCPEGID-OAQYLSRUSA-N 432.542 2.751 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1 46081248 IMZJBMDJSJJGRF-UHFFFAOYSA-N 435.480 2.511 0 40 IFAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCC[C@H](c4nncn4C)C3)cc2)c1C 48260869 GNALBSWMGORCLO-INIZCTEOSA-N 437.504 2.897 0 40 IFAB COc1ccc(C)cc1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57507094 MMXWNGAWHCIGCQ-UHFFFAOYSA-N 431.543 2.971 0 40 IFAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 67198642 XOLWQJQVQJICMP-UHFFFAOYSA-N 439.468 2.892 0 40 IFAB CO[C@H]1/C=C/[C@@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@H](C)CC/C=C/1C 67913529 XBLHNZRXAORYAC-PNQVPBRXSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro COc1cc(CN2CCC[C@@H]2c2ccc(Nc3cnccn3)cn2)ccc1OCC(N)=O 72353186 NQDWIWCACCAOIK-LJQANCHMSA-N 434.500 2.825 0 40 IFAB CNC(=O)Cn1ccc2ccc(NC(=O)CCC(=O)Nc3nnc(CC(C)C)s3)cc21 89856609 XASKBTOCXUKPAZ-UHFFFAOYSA-N 442.545 2.795 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2N2CCCCC2)cc1OC 217491223 HLPVISAZVVJWSP-UHFFFAOYSA-N 448.541 2.913 0 40 IFAB O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCS2(=O)=O)cc1 224382956 BLPZPDWSOBMXOK-UHFFFAOYSA-N 427.526 2.673 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN(c4ncc(F)cn4)CC3)cc2)co1 240067906 SDOLDEPMCHSLDU-UHFFFAOYSA-N 431.493 2.774 0 40 IFAB CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C(C)(C)NC(=O)COc3ccccc3)C2)n1 257329424 XJYOPLYYTNAWSM-DEOSSOPVSA-N 439.560 2.681 0 40 IFAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1 408969205 JCNPAXZEVXNDID-UHFFFAOYSA-N 437.540 2.905 0 40 IFAB COc1ccccc1CNC(=O)CC1(N2Cc3ccccc3C2=O)CCN(C(C)=O)CC1 1548347914 DMILIZCTLPZBIT-UHFFFAOYSA-N 435.524 2.739 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888920848 USIDXOXFMJVEGA-QZTJIDSGSA-N 425.514 2.505 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889253752 DJYZIOMTVXCVTB-UHFFFAOYSA-N 426.498 2.779 0 40 IFAB NS(=O)(=O)c1ccc(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 2694205 CCZHYGQHRSOQEG-UHFFFAOYSA-N 445.508 2.642 0 40 IFAB Cc1noc(C)c1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 3316766 IRAFYLOSBCFQRS-UHFFFAOYSA-N 449.312 2.976 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 3441698 SOKPLJBRWIBILB-IBGZPJMESA-N 426.494 2.589 0 40 IFAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4ccccc4)CO[C@H]23)cc1 3841754 IASIBHKJQYXBJZ-MTQWCTHYSA-N 441.509 2.959 0 40 IFAB biogenic,in-vitro O=C(NCCCN1CCCCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791607 VFWKJAXDSXJVSS-UHFFFAOYSA-N 448.567 2.928 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1(c2ccc(OC)cc2)CCOCC1 5451008 KHGQXIQAYOHPEM-NRFANRHFSA-N 426.513 2.827 0 40 IFAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 6089934 NNUYIEWBHVMQSQ-UHFFFAOYSA-N 441.509 2.847 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 9001532 IDYLUTHSRUWCSO-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 9180844 UUUJUDJPLKHCOM-UHFFFAOYSA-N 446.503 2.837 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 9190986 VYFQQESENHMGKX-UHFFFAOYSA-N 431.514 2.555 0 40 IFAB O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(Cl)c1 9408065 TXKKPNOVLDMZRO-UHFFFAOYSA-N 435.889 2.671 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2cccnc2Cl)c1 9664741 OLIWIKIQALBDOD-UHFFFAOYSA-N 439.921 2.869 0 40 IFAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCCc2ccco2)cc1 9725125 WHTGNBRQASCIHN-GOSISDBHSA-N 440.525 2.675 0 40 IFAB COc1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)C2CC2)cc1 9777810 SSCOJPOAVROAQU-HSZRJFAPSA-N 443.450 2.932 0 40 IFAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)NCc1ccc2c(c1)OCO2 9780771 DHAOABSFHOATNO-QGZVFWFLSA-N 427.438 2.719 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 9844508 SKLOMTQYZNSGDF-UHFFFAOYSA-N 427.526 2.823 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)c1 10490137 ITHDPNSQGYZYCH-UHFFFAOYSA-N 441.912 2.878 0 40 IFAB COc1cccc(-c2nc(COC(=O)c3ccc(S(N)(=O)=O)cc3)cs2)c1OC 11040435 YXQXJLKQEVFIGQ-UHFFFAOYSA-N 434.495 2.832 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)c(=O)n1N 12348094 NUZQHQSMILFZCG-UHFFFAOYSA-N 445.932 2.726 0 40 IFAB CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nn1C 12601986 XTLJZPIYALQQJR-SCTDSRPQSA-N 432.590 2.603 0 40 IFAB biogenic,in-vitro Cc1cc(=O)c(C(=O)NCC(=O)Nc2ccccc2Br)nn1-c1ccccc1 12928963 LTIXULDCXVYGKR-UHFFFAOYSA-N 441.285 2.672 0 40 IFAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H]([C@@H]4CC(=O)c5cc(F)ccc5O4)C3)nc2n1 13225751 AOOZIINSVDTSMJ-QRWLVFNGSA-N 437.475 2.695 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 13572736 XFGCKMHBTHYXGS-GDQYCQOFSA-N 447.535 2.771 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)N[C@@H](CO)Cc1ccccc1 13573745 SBXWHQUQXVVNPN-MCRQTXEHSA-N 428.485 2.972 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1OC 15832699 UQNOJGDGTBBUJU-UHFFFAOYSA-N 443.525 2.640 0 40 IFAB CN(C)S(=O)(=O)c1ccc2nnn(OCCCOc3ccc(C(C)(C)C)cc3)c2c1 17482772 JDSHUVGBSYWFTK-UHFFFAOYSA-N 432.546 2.877 0 40 IFAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)CCc5cccnc5)CC4)nn3c(O)c2C1 19448149 SBUCFQWTZVLHRX-UHFFFAOYSA-N 448.571 2.935 0 40 IFAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2n[nH]c(O)n2)CC1 19700222 MBZCCAAKOINJFD-UHFFFAOYSA-N 433.512 2.731 0 40 IFAB CCn1nc2c(c1C(=O)N1CC[C@@](Cc3cc(C(C)C)no3)(C(=O)NC)C1)CCCC2 19739187 GEMVTENDEDCOAX-QHCPKHFHSA-N 427.549 2.714 0 40 IFAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 20490200 CAJDELSMBHJZMD-BGYRXZFFSA-N 435.634 2.713 0 40 IFAB O=C(c1cc(=O)c2ccc(Br)cc2o1)N1CCN(CCc2ccncc2)CC1 21659686 IONIMAFSLYCBSW-UHFFFAOYSA-N 442.313 2.951 0 40 IFAB Cc1cc(C)cc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 22229450 IBPCEULUXMUZGW-UHFFFAOYSA-N 443.569 2.775 0 40 IFAB NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 22400528 SUGZGZIKHAVFDW-UHFFFAOYSA-N 445.447 2.898 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 22772493 MQWARUZKATWBIK-MRXNPFEDSA-N 427.501 2.536 0 40 IFAB COc1cccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)c1 23105939 AVQWXJDPRDPFDA-IBGZPJMESA-N 430.501 2.524 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc(N3CCN(c4ccccc4)CC3)s2)s1 23140068 JJCGJBMMDMPSLR-UHFFFAOYSA-N 433.588 2.755 0 40 IFAB CC(C)c1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccc(F)cc1 24564959 OAQYMQOCLPBFMI-UHFFFAOYSA-N 430.505 2.755 0 40 IFAB COc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)c(C(=O)N(C)C)cc1OC 25215926 LWTUXMGPRVKUKQ-UHFFFAOYSA-N 427.457 2.732 0 40 IFAB CC(=O)N[C@@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O[C@@H]1Oc1ccc2ccccc2c1 27515962 XCMZMJFBJIDKSB-HFRKGGPVSA-N 435.476 2.923 0 40 IFAB O=C(O)c1ccccc1/C=N/NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218278 OFUVGFUNIGSPPX-AFUMVMLFSA-N 426.432 2.907 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 28714908 MZXKXYIEJLGIQF-IBGZPJMESA-N 430.464 2.516 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C)cc3)C2)cc1OC 33422915 SJZGIYKBHKHEHD-SFHVURJKSA-N 432.542 2.729 0 40 IFAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3nc4ccccc4n3C)n2)cn1 35425708 PFWTVJJCBLBKFU-SFHVURJKSA-N 447.499 2.940 0 40 IFAB biogenic,in-vitro COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)Cc1cccs1 95441959 HUTORRBGIGBADH-VIFPVBQESA-N 433.349 2.528 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 100454572 BZKSKLWMOVIDOD-IYBDPMFKSA-N 430.892 2.914 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 101387404 JGRXYGGBYMPHDP-ROUUACIJSA-N 427.848 2.671 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCCc3ccc(O)cc3)CC2)cc1 101498665 GKTQTOWFIRFCQV-KDURUIRLSA-N 446.569 2.844 0 40 IFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219439262 YUMMVTAYOJEYHB-UHFFFAOYSA-N 443.525 2.778 0 40 IFAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-n1cnnc1 223452521 UPWACDSGNYCXBX-RTWAWAEBSA-N 430.541 2.971 0 40 IFAB C[C@H]1CN(C2CCN(C(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CCO1 251834627 PVWOENMPGHRDFU-URZWWHBSSA-N 443.632 2.906 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cc2c(C)noc2C)CC1 257203486 AQHJIPJNGWHBMN-CQOQZXRMSA-N 427.545 2.670 0 40 IFAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)Cc4nnc(N)s4)CCO3)c2)c1 257255034 KFUXPYHEQSFABI-LJQANCHMSA-N 439.541 2.566 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc21 260845714 WWHLSBCGVRRYFI-QFIPXVFZSA-N 445.585 2.809 0 40 IFAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 408623632 PEKUSQUVYSACIJ-IBGZPJMESA-N 446.569 2.532 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408672713 ZPJRZYZIBOAJRQ-DIRVTVSLSA-N 425.268 2.506 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(Cc4cn(C)c5ccccc45)C[C@H]23)n1 1549163123 ZHDSHKQNWVNEDA-QFIPXVFZSA-N 446.555 2.952 0 40 IFAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1557144864 FAMNEIVPEHKAFE-KRWDZBQOSA-N 432.402 2.617 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(CC3(O)CCN(c4ccccc4F)CC3)CC2)C1 2037846757 XMIDDIXWMMPLHS-HXUWFJFHSA-N 433.568 2.649 0 40 IFAB C[C@H]1CCCN(C(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)C1 1325739 DQKSXTGHKFKEQI-INIZCTEOSA-N 440.573 2.657 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(F)cc1F 2092037 SUHJYAOFQCJYHR-JLTOFOAXSA-N 432.379 2.781 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCc1c(C)noc1C)n2C 2630145 KZVDFJJRPATABR-UHFFFAOYSA-N 448.545 2.885 0 40 IFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CC2)c1 3464162 KTGVXHPSWSDHGF-UHFFFAOYSA-N 436.917 2.596 0 40 IFAB COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(C)C)cc(OC)c1OC 6162667 JNHIZMOVBOVLDY-UHFFFAOYSA-N 444.484 2.748 0 40 IFAB CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)CNC(C)=O 8690874 ABSMQHZJSTUMNZ-QFIPXVFZSA-N 445.585 2.805 0 40 IFAB COc1cc([C@@H]2OCCn3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 8971670 ORCDBPPULHCIMB-QHCPKHFHSA-N 447.491 2.848 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9060883 BQBFAIGILCCCLC-OAQYLSRUSA-N 431.533 2.636 0 40 IFAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1c(F)cccc1Cl 9154449 TXONSEISCRLNRH-QFYYESIMSA-N 436.288 2.904 0 40 IFAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1 9329515 ANPZPXFVFPKVKH-UHFFFAOYSA-N 434.338 2.847 0 40 IFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)cc1 9459726 BQPSQWDOEKWMEP-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9633427 XMZNNMZQQHZVPW-UHFFFAOYSA-N 448.501 2.617 0 40 IFAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9639946 OLAKFUJMJAEKCJ-CQSZACIVSA-N 426.897 2.780 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1 9643515 IPFYHOSPFAXSTE-UHFFFAOYSA-N 429.527 2.809 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H]3c3cccs3)CC2)cc1 9740086 YYSICAAPVSYVNX-LJQANCHMSA-N 433.599 2.727 0 40 IFAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)cc1Cl 9857428 KVJQFRXJADYYKD-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 9869673 RBSQQUWYUGNZGC-OAQYLSRUSA-N 436.489 2.718 0 40 IFAB COc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1 9936244 FKBMNQSNUXFRPD-UHFFFAOYSA-N 446.301 2.558 0 40 IFAB CCOc1ccc(CCNC(=O)CSc2nnc3nc(C)cc(C)n23)cc1OCC 10021790 GLDJPMJNVLLKJS-UHFFFAOYSA-N 429.546 2.990 0 40 IFAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10364771 NQCYIHCKVVYPNE-CQSZACIVSA-N 440.949 2.871 0 40 IFAB C[C@H]1Sc2ccc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)cc2NC1=O 10374842 GPSUTCOHIDRPAK-CQSZACIVSA-N 445.566 2.702 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc2c(c1)OCO2 12360183 JPNGWVWWSSAPMY-UHFFFAOYSA-N 433.464 2.995 0 40 IFAB biogenic,in-vitro C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 12875970 BBLDOVQOISIMDX-INIZCTEOSA-N 430.526 2.736 0 40 IFAB COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12888721 IHJZJRZDCCPPCR-UHFFFAOYSA-N 428.554 2.901 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3ncn(-c4ccccc4F)c3=S)CC2)cc1 13070350 OQRFLYXPUJBICV-UHFFFAOYSA-N 447.561 2.815 0 40 IFAB Cc1ccc(N2C(=O)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)[C@@H]2C)cc1 13109982 UMNZHPHCALGBCJ-KRWDZBQOSA-N 447.495 2.589 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)CCc1c(C)nc2nc(=S)[nH]n2c1C 14200497 CDAQKGNVQHOEEG-UHFFFAOYSA-N 431.518 2.679 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc3c(c2)NC(=O)CS3)cc1OC 14241546 HQWYEXSZKCVUGR-LBPRGKRZSA-N 430.482 2.610 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1OC 16039302 BNNMIWVCBDLINX-MVWVFHAYSA-N 445.475 2.609 0 40 IFAB CCn1cncc1C(=O)N1CCC(O)(Cn2ncc3ccc(NC(=O)C(C)C)cc32)CC1 19578358 ADOMXRXPGJJIQP-UHFFFAOYSA-N 438.532 2.515 0 40 IFAB COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)CCc3c(C)nc(N)nc3C)CCO2)cc1 19693438 SHWGYTUOSAAOIB-FQEVSTJZSA-N 448.527 2.674 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c(CN(C)C)cnc3cc(C)nn23)cc1 19743514 IUFISKUDECHTNW-LJQANCHMSA-N 429.546 2.634 0 40 IFAB Cc1nc([C@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)ncc1C(=O)Nc1ccccc1 19766041 METZARVNGVLLDR-INIZCTEOSA-N 441.513 2.820 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)sc(C)c1C 19928574 ZUFLUBZDQUPBCZ-UHFFFAOYSA-N 445.541 2.637 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2C[C@H]1C 20448910 VZPSUTXEWPYRNY-OAHLLOKOSA-N 432.542 2.777 0 40 IFAB O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1nccs1 20745534 PAXVKBIJAQBMDX-UHFFFAOYSA-N 425.514 2.718 0 40 IFAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCC(C(N)=O)CC1 21131259 CKCXPYDVANXEQD-UHFFFAOYSA-N 433.505 2.867 0 40 IFAB CCOC(=O)c1cc(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1Cl 22519620 UJUWZTFWKKDLPE-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB C[C@H](NC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)c1ccc2ccccc2c1 22802241 FKNDOFYQBWGCHH-NRFANRHFSA-N 444.579 2.951 0 40 IFAB C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(=O)NC2CC2)CC1 22932660 WOXHYZIZWQHYIN-GFCCVEGCSA-N 432.874 2.582 0 40 IFAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)NC2c3ccccc3-c3ccccc32)c1=O 24111361 FBGDCTWULFXENZ-UHFFFAOYSA-N 427.382 2.852 0 40 IFAB O=C(NC[C@@H]1CCCO1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 26113584 PTJJUCJNPWPYFF-HNAYVOBHSA-N 436.917 2.592 0 40 IFAB CC(C)C(=O)NCCNC(=O)c1cc(Br)ccc1I 28209896 FIXRYFLZTWTJTM-UHFFFAOYSA-N 439.091 2.556 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1=O 28719490 XTNGUBWEJLHNCJ-ZDUSSCGKSA-N 447.417 2.816 0 40 IFAB Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)CC2)n1 29835562 RAEVRCBKDSLVSM-LJQANCHMSA-N 449.486 2.954 0 40 IFAB CCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 30061991 LEVYYSVFFLYPNG-UHFFFAOYSA-N 435.358 2.554 0 40 IFAB Cc1cc(NC(=O)CN2C(=O)C(=O)N([C@H]3CCCC[C@H]3C)C2=O)n(-c2ccc(F)cc2)n1 32858174 UVIOWGKRUULCFO-DYVFJYSZSA-N 441.463 2.628 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 48354778 VLNGPEQLJOGPIG-IIAWOOMASA-N 438.956 2.869 0 40 IFAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2C1 49511545 KHYNCNZAGOJAMG-UHFFFAOYSA-N 425.514 2.618 0 40 IFAB COCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccsc2c1=O 57425794 WKNYBXNRMYRFLF-UHFFFAOYSA-N 435.527 2.852 0 40 IFAB O=C(NCCCN1CCCC1)C1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1 72283833 MFNWJSBDHZINFG-UHFFFAOYSA-N 443.979 2.980 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3Cl)c21)N1CCCCC1 72336707 FZFMNEDHKJPPFL-UHFFFAOYSA-N 426.908 2.931 0 40 IFAB COc1ccc(OC)c(C(=O)CCC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 72393926 RTDYWABKWROTIU-OAHLLOKOSA-N 437.500 2.750 0 40 IFAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)NCc3ccc(F)cc3)CC2)C1 72394433 MPGWARTYPHBQOB-UHFFFAOYSA-N 425.504 2.718 0 40 IFAB O=C(NCc1ccnc(NC(=O)c2cccc3c2OCCO3)c1)c1cccc2c1OCCO2 96012007 VODKAZXDMDXYCJ-UHFFFAOYSA-N 447.447 2.806 0 40 IFAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 106637485 KCGHMMOJZYXEQA-NZHPJOHYSA-N 445.541 2.829 0 40 IFAB Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@H]2CNCCO2)cn1 113529969 SYYBDNPGDKKJDU-CYBMUJFWSA-N 436.310 2.867 0 40 IFAB in-vitro COc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225514395 GUHJKKBNGDVYEU-QZTJIDSGSA-N 432.542 2.680 0 40 IFAB C[C@@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225668688 BEWJIVXOKYBHGA-LBPRGKRZSA-N 432.876 2.968 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1cccs1 240122520 WBGJNMCKNHGROJ-MRXNPFEDSA-N 429.566 2.872 0 40 IFAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 257218635 DDWXJTQQGVNTNZ-LJQANCHMSA-N 437.544 2.874 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@](C(N)=O)(c3ccccn3)C2)cc1NCc1ccncc1 257255285 KGXFXFAHWFVDJS-VWLOTQADSA-N 445.523 2.757 0 40 IFAB Cc1nonc1CNC(=O)[C@@]1(C)CCCCN1C(=O)CCn1ccnc1-c1ccccc1 257257951 KRTAQLNXFYTFHO-HSZRJFAPSA-N 436.516 2.719 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)cc2)cc1Cl 408612027 XZIZBVNDFGHLAD-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB CCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409068254 KUKBLHIOPZFNRC-UHFFFAOYSA-N 436.530 2.824 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 539683038 FVHMDGBHYXDVNK-PGRDOPGGSA-N 433.508 2.761 0 40 IFAB Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)n1 585293070 VZERFFJRCPRKQU-IPLHWJFFSA-N 432.532 2.855 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CN(Cc1ccc(CO)o1)C2 1549168035 SNTXQEPTANFGFF-JOCHJYFZSA-N 437.540 2.597 0 40 IFAB CCNC(=O)C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1 1071889 OBIJLIMGUIGSCP-INIZCTEOSA-N 448.907 2.652 0 40 IFAB CC(C)N(C(=O)CO[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21)c1ccccc1 5224186 NJHYYAKMLCLPQN-YNWKUBOOSA-N 435.517 2.841 0 40 IFAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1OC 8915380 SAKMJRLYVPELEG-MDZRGWNJSA-N 442.365 2.947 0 40 IFAB COC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 9008177 HZISYXJDJJDMSV-DOTOQJQBSA-N 442.269 2.665 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(O)cc2)cc1 9215909 YQEAMOVJUQZBEM-JOCHJYFZSA-N 433.464 2.540 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C 9263591 YGTPEWYSIDQUQB-NSHDSACASA-N 432.531 2.581 0 40 IFAB O=C(CSc1nnnn1Cc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9740883 GHJUZBDMEQICBG-UHFFFAOYSA-N 449.583 2.542 0 40 IFAB CCN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCS(=O)(=O)C1 9882798 ARGFMZNWWRQJDV-SSDOTTSWSA-N 431.171 2.922 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)CC2=O)cc1 9963803 ZTJDURDJLWKEJG-INIZCTEOSA-N 432.484 2.911 0 40 IFAB CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C(C)C)cc1 11375691 HNLSGKXAQIQXAR-LJQANCHMSA-N 433.549 2.919 0 40 IFAB Cn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)n(Cc3ccccc3)c2n(C)c1=O 11845065 QMYCIWZWEJGCDM-UHFFFAOYSA-N 436.899 2.670 0 40 IFAB Cc1ccc2c(c1)N[C@H](C(=O)Nc1ccc(NC(=O)c3ccco3)cc1)NS2(=O)=O 12414563 FOJXCRVKEBYSJI-SFHVURJKSA-N 426.454 2.509 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)cc1 12508638 KOYOOZFUXRSBJI-UHFFFAOYSA-N 426.516 2.525 0 40 IFAB O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 12755650 NPNWJMUMWUNVBJ-UHFFFAOYSA-N 443.447 2.697 0 40 IFAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(F)c(F)c(F)c1F 12775362 LSCKZFWMXYHXEA-UHFFFAOYSA-N 436.358 2.655 0 40 IFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccco1 12929170 KCZSYVAXHVWOSI-KFWWJZLASA-N 434.566 2.728 0 40 IFAB NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)c(Cl)cc1Cl 12986891 ICNWBCNEUWOQLV-UHFFFAOYSA-N 439.324 2.816 0 40 IFAB COc1cc(NC(=O)Cn2c(=O)c(-c3ccccc3)[n+]([O-])c3ccccc32)cc(OC)c1 13134447 DGLHTSOXURRTPB-UHFFFAOYSA-N 431.448 2.958 0 40 IFAB O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)N[C@@H]1CCS(=O)(=O)C1 13724356 XQITWKQJINHQGJ-MRXNPFEDSA-N 447.896 2.796 0 40 IFAB CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(OC)cc3)ccc2=O)s1 13798576 QNXQPBDGIOWEFG-UHFFFAOYSA-N 433.555 2.911 0 40 IFAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c2c(C)nn(C)c2n1 14899287 OXNBTVSNUOFRMZ-UHFFFAOYSA-N 434.544 2.598 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(F)cc2)CC1 15935652 NKVPNFSCPXCYMH-OAQYLSRUSA-N 444.482 2.825 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19696130 UFUROROVSISGJJ-LJQANCHMSA-N 427.593 2.912 0 40 IFAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccc1 19706552 HLYRZYRIARBCMW-FQEVSTJZSA-N 443.617 2.766 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 19709892 XJBQRSCMBLUYFN-INIZCTEOSA-N 449.552 2.512 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CC(=O)N2CCc1ccccc1F 19744176 QIRBOTKGLBSYMY-FQEVSTJZSA-N 448.502 2.616 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)NCc1ccc(F)cc1 19755101 AZAJKSWOIYOZLP-HXUWFJFHSA-N 449.486 2.530 0 40 IFAB Cc1nc([C@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)ncc1C(=O)Nc1ccccc1 19765265 KMEVKMZUKBQIRB-SFHVURJKSA-N 443.573 2.947 0 40 IFAB CN(C)C(=O)c1ccc(C2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CC2)nc1N 19766022 BZWGVFOSLLMDHF-IBGZPJMESA-N 428.920 2.729 0 40 IFAB O=C(CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)CC1)Nc1cccc(F)c1 20720146 LMYDZORLJUCMDX-OAQYLSRUSA-N 428.439 2.828 0 40 IFAB Cc1ccc(F)cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 22250520 RINGWWLRQSVQKN-UHFFFAOYSA-N 442.896 2.826 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccc(OC)cc1 22253110 JQJDQCKTRUVJAN-AWEZNQCLSA-N 436.530 2.989 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc2nc(O)c(Cc3ccc(C)cc3)nn12 22720978 YSWIFYRONMHXMS-UHFFFAOYSA-N 436.497 2.864 0 40 IFAB Cc1ccc(-n2cnnc2SCC(=O)NCCc2nnc3ccccn23)cc1Cl 25575902 PXUZHBQHHNQRKK-UHFFFAOYSA-N 427.921 2.723 0 40 IFAB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 26677164 IBPMLRSNOSGGTO-UHFFFAOYSA-N 438.534 2.991 0 40 IFAB CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccsc1 29140644 DAXDLBLFBOMVMG-MRXNPFEDSA-N 427.617 2.629 0 40 IFAB O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 29986743 HVADPNDIHLYRQQ-GOSISDBHSA-N 430.505 2.604 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1 32369154 FDUAKCIKOGHYFJ-SFHVURJKSA-N 429.586 2.615 0 40 IFAB CCN(CC)S(=O)(=O)N1CCN(Cc2csc(Nc3ccccc3F)n2)CC1 32925307 FYPZLPXRLQBAHI-UHFFFAOYSA-N 427.571 2.730 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3F)CC2)c1 36408705 VPVREPGZZHZBFP-UHFFFAOYSA-N 441.475 2.666 0 40 IFAB O=C(c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1)N1CCC[C@@H]1CO 36575223 WRLLBUSXXNBQIF-CQSZACIVSA-N 435.502 2.833 0 40 IFAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 38755798 BICCTBUQYGHMPQ-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(O)c(OC)c2)c1 39427843 ALIULKBBWNJIKI-FQEVSTJZSA-N 437.456 2.937 0 40 IFAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(CCCN3CCOCC3)c3nc4ccccc4n32)cc1 39964048 TXILNSCMLIJAFW-JOCHJYFZSA-N 447.539 2.984 0 40 IFAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44853005 UQLRTJJNYVHYFN-KUHUBIRLSA-N 438.933 2.759 0 40 IFAB Cc1ccc(F)cc1NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 49404392 UQSZJBOREDCJNX-UHFFFAOYSA-N 426.477 2.733 0 40 IFAB Cc1c(C(=O)N2CCN(c3ccc(-c4ccccn4)nn3)CC2)cnn1-c1ccccc1 56903580 LUFYMPXTCFZKNX-UHFFFAOYSA-N 425.496 2.995 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2nccnc2N2CCOCC2)cc1 67334579 NCLITGOWSHBAGC-UHFFFAOYSA-N 434.452 2.764 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340235 CEFIGYGDDALBDP-QJHDXQOESA-N 430.520 2.940 0 40 IFAB NC(=O)[C@H]1CCCN(C(=O)C2(Cc3cc(-c4ccc(F)cc4F)no3)CCOCC2)C1 72394552 QBFIRVGSYQOUSE-AWEZNQCLSA-N 433.455 2.683 0 40 IFAB CCCSc1ncc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 72394968 FASPYWQOXMLHPS-LIMIJEPZSA-N 441.601 2.971 0 40 IFAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 79072356 DIWVGHYOBDFRGF-LSDHHAIUSA-N 432.546 2.681 0 40 IFAB CC(C)(C)CN(C[C@H](O)c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 95461969 OKCQQZQQPMZHRY-IBGZPJMESA-N 425.572 2.861 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)C[C@]32CCN(C)C2=O)cc1 96144288 FYALSFWZQARDMM-SANMLTNESA-N 432.568 2.977 0 40 IFAB CCc1cnc(N2CC[C@@H]3CN(CCc4ccc(OC)cc4)S(=O)(=O)[C@@H]3CC2)nc1 96263738 YOXRHZGMOIBVFY-TZIWHRDSSA-N 430.574 2.521 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1cccc(F)c1 101165671 KHQIXFQIWBPOND-HZPDHXFCSA-N 446.236 2.520 0 40 IFAB COc1ccc(Cl)cc1N1C(=O)/C(=C/N[C@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 102588010 ZEOGUKMKGRHJSY-MPMPPSQCSA-N 446.912 2.653 0 40 IFAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)cc2)C1 108156060 ALBLZTDCLVJBTB-VGSWGCGISA-N 449.555 2.991 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccc(OC)cc2)no1)N(c1ccccc1)S(C)(=O)=O 219089325 ZKOZAGKFMMUJQS-SFHVURJKSA-N 444.513 2.606 0 40 IFAB COc1ccc(-c2noc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)n2)cc1 222592400 ZCGOYOJBGXKVEG-UHFFFAOYSA-N 442.497 2.605 0 40 IFAB COc1ccc(CN(C)C(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1OC 223720570 VACAPCKWWGEJRP-UHFFFAOYSA-N 440.949 2.777 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)COc3ccccc3)s2)c1 224115725 SICFXMFFXARZFA-CQSZACIVSA-N 432.527 2.845 0 40 IFAB Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 224353369 ISLXECTUMWOGHF-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(-n4ccnc4)cc3)CC2)cc1 225478432 XPZFWSGFSVAOCV-UHFFFAOYSA-N 438.553 2.898 0 40 IFAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 226079520 VSCPAPKPMNFMSQ-UHFFFAOYSA-N 448.541 2.776 0 40 IFAB CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257290013 QBCZAZXSFUGCTQ-NRFANRHFSA-N 448.567 2.879 0 40 IFAB Cc1nc(CC(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)cs1 257342925 ZQQAOUWKPLXISY-CQOQZXRMSA-N 443.613 2.684 0 40 IFAB O=C(c1ccco1)N1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306127579 GCPDOWZJYKIDGB-YKSBVNFPSA-N 435.455 2.851 0 40 IFAB O[C@H]1CCN(Cc2ccc(OCCN3CCCC3)cc2)C[C@]1(O)COc1cccc(F)c1 585284210 VTGBOJQCJLRMIN-DQEYMECFSA-N 444.547 2.677 0 40 IFAB COC(=O)[C@H](CNC(=O)[C@@](C)(O)c1ccc(F)cc1)Oc1ccc(Br)cc1 1627224734 UDKAVTDUIRWPRT-LPHOPBHVSA-N 440.265 2.533 0 40 IFAB O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NCc2nc(C(F)F)no2)C1)C1CCCC1 1685391081 NJWKTRJREBKHSF-GFCCVEGCSA-N 437.451 2.948 0 40 IFAB COc1ccc(Br)c(C(=O)NCC2(N3CCOCC3)CCSCC2)c1 1775976233 WLPQQLGDNAOVOJ-UHFFFAOYSA-N 429.380 2.786 0 40 IFAB O=S(=O)(CCc1ccccc1)N1C[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1 2298235438 MLZIDEXWDWYQDQ-CALCHBBNSA-N 436.375 2.785 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1 2889246 WRBIVSWGOKZUNY-UHFFFAOYSA-N 445.551 2.836 0 40 IFAB C[C@@H]1CCc2c(sc3nc(CSc4nnc(-c5cccnc5)n4N)[nH]c(=O)c23)C1 3275411 RNVBGMGPVCONGC-SNVBAGLBSA-N 425.543 2.769 0 40 IFAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 8724164 VYRJLHNDLUDPPL-UHFFFAOYSA-N 440.504 2.579 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 9257119 IIALHVOAKODKED-ICSRJNTNSA-N 429.542 2.959 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc(OC)c2)[C@@H](c2ccc(Cl)cc2)n2nnnc2N1 10232281 WWTWDYCBQGIBOO-QGZVFWFLSA-N 425.832 2.660 0 40 IFAB Cc1ccc2oc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(=O)c2c1 11004449 FXHQCGSYLNRWID-UHFFFAOYSA-N 444.484 2.777 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)CC1 12222168 IBAHSWRCHYZDFK-UHFFFAOYSA-N 430.530 2.561 0 40 IFAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 12846926 JBXYPZIIJOMVSB-UHFFFAOYSA-N 445.456 2.909 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCO[C@@H](C)c1ccccc1 12870966 SPRJONXHRBYGNK-IBGZPJMESA-N 446.569 2.914 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C(C)C)C2=O)cc1OC 13038790 WFYHWWYITHEOJI-QHCPKHFHSA-N 425.485 2.912 0 40 IFAB CCOC(=O)C1=C(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)NC(=O)N[C@@H]1C 13039739 LXPACDAVPOEDLK-GFCCVEGCSA-N 444.561 2.567 0 40 IFAB Cn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)nnc1-c1cccs1 13407558 QWQZLXRMJKISLM-OAHLLOKOSA-N 441.538 2.929 0 40 IFAB COCCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 13508539 MJQNBNGPBDBWMW-QHCPKHFHSA-N 447.495 2.870 0 40 IFAB NC(=O)C1CCN(C(=O)CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)CC1 13640140 ZIQDWXBBUGEMAZ-UHFFFAOYSA-N 446.536 2.761 0 40 IFAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC(=O)NC1CCCC1 14077757 JDXPXZQSFAUYIU-UHFFFAOYSA-N 442.438 2.628 0 40 IFAB C[C@H](NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccco1 14109156 HGBXRICAMFVROM-INIZCTEOSA-N 427.530 2.726 0 40 IFAB COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c(O)cc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 14721540 OFLCPNIRDVOOEZ-WZONZLPQSA-N 426.421 2.818 0 40 IFAB biogenic,in-vitro COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 15132827 WIOUKZQTXAQRBK-INIZCTEOSA-N 448.541 2.524 0 40 IFAB CN(C)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 15140427 HJISZMWZXGUKOL-UHFFFAOYSA-N 427.526 2.750 0 40 IFAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc(C(N)=O)cc1 15783795 MOYGBIKIPOGSGA-UHFFFAOYSA-N 426.473 2.654 0 40 IFAB COc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 16751885 PPIXPNLUTIJVSN-QGZVFWFLSA-N 449.525 2.551 0 40 IFAB COc1cc(OC)c(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1Cl 16850912 KZUQXNXSPRWSPM-NSHDSACASA-N 439.921 2.654 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 17169704 NGTXJJNLVFEQFY-UHFFFAOYSA-N 442.965 2.930 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cn(C)nc3C)CC2)on1 19123272 CQESGJUTDUHLAB-UHFFFAOYSA-N 437.548 2.698 0 40 IFAB CC(C)c1nc(N2CCC(NC(=O)[C@@H](C)Cn3cncn3)CC2)ncc1-c1ccncc1 19451556 WEIDTCSKTCPUCP-KRWDZBQOSA-N 434.548 2.675 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)C[C@H]2C=CCC2)CC1 19573743 IFQLZSRWBZEGFV-KRWDZBQOSA-N 432.590 2.933 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C(C)(C)OC)nc32)c1 19698664 XOABJJJHLDGRIF-UHFFFAOYSA-N 426.517 2.656 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2scnc2C)CCO1 19702852 HTGYQEBIMHQQQS-CQSZACIVSA-N 446.554 2.651 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)c2ccc(COC)cc2)nc2c1CCN(C(C)=O)C2 19708645 XVIIMBNQPYAVET-NRFANRHFSA-N 437.544 2.937 0 40 IFAB O=C(Cn1cc(C(=O)NC2CCCCC2)ccc1=O)NCc1ccccc1N1CCCC1 19751695 FGRFWFBJKLQLET-UHFFFAOYSA-N 436.556 2.827 0 40 IFAB CCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O 19824938 HJILWOGHBFGFNN-UHFFFAOYSA-N 446.617 2.736 0 40 IFAB CCOC(=O)N1CCN(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)CC1 21372825 CDRWMFKOBDFDRL-MRXNPFEDSA-N 439.512 2.817 0 40 IFAB CCc1ccccc1N(CC(=O)NCCCc1ccc(OC)c(OC)c1)S(C)(=O)=O 22329927 YZUZHWPATKEIJG-UHFFFAOYSA-N 434.558 2.781 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 24689611 VLMTXLMMDULJNX-UHFFFAOYSA-N 442.541 2.846 0 40 IFAB Cc1nn(-c2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2)c(C)c1Cl 25194881 WPNYWPVYRYHBPB-UHFFFAOYSA-N 429.952 2.523 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 30863249 CHSRQUVWSIVJEY-UHFFFAOYSA-N 442.877 2.768 0 40 IFAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cn2)CC1=O 30974076 SDKCEVHHRMAVFZ-AWEZNQCLSA-N 430.892 2.572 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc(N2CCCC2)nc1 31632855 XJLKMRMXVGDZMP-UHFFFAOYSA-N 428.558 2.868 0 40 IFAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 32093617 XVATURWJKSYTLG-KRWDZBQOSA-N 434.294 2.565 0 40 IFAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1nc2ccccc2nc1C 32745247 ZRPPLGNUMCUXPI-OAQYLSRUSA-N 425.510 2.758 0 40 IFAB C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1nc(-c2cccnc2)no1 32876088 JKWCSJSXJUWXMO-NSHDSACASA-N 436.877 2.953 0 40 IFAB COCCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 33481763 GKNUGKHCVKPTPG-CQSZACIVSA-N 426.922 2.521 0 40 IFAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 35684964 JOGAPMYSKLYWIY-QGZVFWFLSA-N 439.497 2.986 0 40 IFAB CCOc1ccccc1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 44857297 CAIQHLVQVDUEIE-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB CCN(CC)C(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 56949848 XNAWOHPNDWNPLB-UHFFFAOYSA-N 433.936 2.863 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 57851532 ASDCVEAEDKYLDK-GOSISDBHSA-N 443.569 2.840 0 40 IFAB CC(=O)c1c(C)cc(C)c(CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C 60742156 VZHOTLQQUWQVHE-UHFFFAOYSA-N 429.542 2.547 0 40 IFAB Cc1nc(NC(=O)[C@@H](C)Cn2nc(-c3cccs3)ccc2=O)sc1C(=O)N(C)C 61984101 HBSGYDYLKKWEMK-NSHDSACASA-N 431.543 2.713 0 40 IFAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)NCc1ccc(Cl)cc1 64593475 IXMDJOVNZINCHU-UHFFFAOYSA-N 425.901 2.942 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1 67322745 IJDJUVPUJQXMQL-UHFFFAOYSA-N 425.420 2.712 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1)C1CCC1 71850214 ARUSRADCFSLZQD-SFHVURJKSA-N 447.582 2.956 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1F 79054119 WGXOMGVFFROYDG-UZLBHIALSA-N 433.549 2.716 0 40 IFAB COc1cccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 90584172 USKYPIDYNKNVHX-UHFFFAOYSA-N 425.514 2.613 0 40 IFAB COCc1cc2nn(CC(=O)NCc3ccccc3Cl)c(=O)n2c(-c2ccccc2)n1 90610158 IOWCABMCLJIDTN-UHFFFAOYSA-N 437.887 2.674 0 40 IFAB O=C(NCC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1)c1ccc(Br)s1 95457365 AAJHHWXLJHUPGT-STQMWFEESA-N 427.295 2.714 0 40 IFAB O=S(=O)(N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)c1ccc2c(c1)OCCO2 95945085 YEJLTJNFYXJNJE-INIZCTEOSA-N 440.403 2.663 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1cccc(F)c1 101165667 KHQIXFQIWBPOND-JKSUJKDBSA-N 446.236 2.520 0 40 IFAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 104891846 RYMPTARTYBKJGT-GJZGRUSLSA-N 440.997 2.987 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCSC3CCCC3)c2)CC1 224577797 OGYKSTLCCMZQGU-UHFFFAOYSA-N 446.038 2.682 0 40 IFAB CCCSc1nnc(NC(=O)CN(c2cccc(OCC)c2)S(C)(=O)=O)s1 224868931 FJMCLLRMUXUYAO-UHFFFAOYSA-N 430.577 2.844 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)cc1 238891317 QQIKCDFPCMJBQQ-CQSZACIVSA-N 440.319 2.645 0 40 IFAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(C(=O)COCC(=O)O)CC[C@H]3O[C@@H]21 257207495 BHZZNHVYPHIRNH-OILHZVAOSA-N 433.501 2.652 0 40 IFAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)COc4ccc(F)cc4)CCO3)n2)nn1C 257282568 OUHMOYBQBSTJGD-LJQANCHMSA-N 425.464 2.985 0 40 IFAB CNC(=O)C1(CC2CCNCC2)CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)CC1 257322584 WGPAXMCDGRSPEV-UHFFFAOYSA-N 445.579 2.618 0 40 IFAB Cc1nc(CN2C[C@]3(CCN(C(=O)CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 306126925 FJFVZULNOLUCBK-OAQYLSRUSA-N 447.582 2.806 0 40 IFAB Cc1ccccc1OCCNC(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408570682 LWDIEMCNUVVFMB-UHFFFAOYSA-N 433.508 2.950 0 40 IFAB O=C(NCc1nccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 575621556 YTSHDVVKRGLJCZ-UHFFFAOYSA-N 428.539 2.920 0 40 IFAB O=C(O)c1csc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 583769841 XQUNUZUBCFECNQ-UHFFFAOYSA-N 434.461 2.972 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCn3cc(CC(=O)N4CCC(C)CC4)nc3[C@@H]2C)cc1 585096990 DGYRLAXVNGDZII-SFHVURJKSA-N 430.574 2.758 0 40 IFAB Cc1cccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(=O)NC(C)C)n1 585107185 QTXLNFUHIKYREH-VWLOTQADSA-N 444.539 2.662 0 40 IFAB Cc1ccccc1N1CCC(O)(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 585285921 FFGVLQNQJHQNGL-RUZDIDTESA-N 444.547 2.608 0 40 IFAB NC(=O)C1CCN(Cc2ccc(CNC(=O)c3ccc(N=c4cc[nH]cc4)cc3)cc2)CC1 1626539855 XVKJSZFVKBRUNX-UHFFFAOYSA-N 443.551 2.874 0 40 IFAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 802459 HNQVBAZGAITUDJ-FQEVSTJZSA-N 435.524 2.666 0 40 IFAB COc1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2F)ccc1-n1cnnn1 934122 BGYUTSFGRMJAHK-UHFFFAOYSA-N 443.460 2.794 0 40 IFAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc12 2113252 ZWOWPHCQMUUKMZ-UHFFFAOYSA-N 434.492 2.795 0 40 IFAB biogenic NS(=O)(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 2680239 YTMISXANKADAHJ-UHFFFAOYSA-N 434.568 2.948 0 40 IFAB CCOC(=O)c1sc(NC(=O)COc2c(F)c(F)cc(F)c2F)c(C(N)=O)c1C 2747962 GBVAQFXXLMGZGA-UHFFFAOYSA-N 434.367 2.906 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 8324750 YFBVGWXUJPFKBK-UHFFFAOYSA-N 427.570 2.819 0 40 IFAB COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4)nn23)cc1OC 8601405 PZKCUKQWNOVFAD-UHFFFAOYSA-N 444.538 2.996 0 40 IFAB CSc1ncc(Cl)c(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)n1 8612046 JRWDRIQHHIXBIH-AWEZNQCLSA-N 425.963 2.990 0 40 IFAB CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc12 9186382 KSXVMCQQKRSBNP-UHFFFAOYSA-N 430.482 2.719 0 40 IFAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)N3CCOCC3)[C@@H]2c2cccs2)cc1 9603566 ULYQMXYALCNEFC-PGRDOPGGSA-N 442.537 2.943 0 40 IFAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)NCCc1c[nH]c2ccccc12 9669392 OXUKLILHWSVQPD-UHFFFAOYSA-N 428.510 2.653 0 40 IFAB CCCCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)Nc1ccc(Br)cc12 9695184 CNPWAMBIXOKEKW-LJQANCHMSA-N 447.289 2.625 0 40 IFAB COc1ccc([C@H]2SCC(=O)N2[C@@H]2C(=O)N(c3ccccc3)N(C)[C@@H]2C)c(OC)c1 11667048 VZOZFTFPRORIHG-VQUVXCFPSA-N 427.526 2.929 0 40 IFAB O=C(Nc1cccc2cccnc12)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031488 HAIRUNWUIARWSB-HNNXBMFYSA-N 448.497 2.587 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)c1C 12237788 HVIHYIGRAOBUFS-UHFFFAOYSA-N 431.452 2.609 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1 12476413 QNCNILQAUVPKSA-UHFFFAOYSA-N 440.504 2.506 0 40 IFAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 12653042 RGNOXXLBNVLNHO-UHFFFAOYSA-N 445.360 2.999 0 40 IFAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1S(=O)(=O)N(C)C 12680371 QXHMQOLUZHMPQB-UHFFFAOYSA-N 447.532 2.875 0 40 IFAB O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c2cc3c(cc2o1)CCC3 12790376 NKOWDFUERHNVKJ-UHFFFAOYSA-N 442.512 2.927 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cc1OC 12870614 XEMCJRUBPOTAAK-YEJXKQKISA-N 430.482 2.930 0 40 IFAB biogenic COC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)sc(C)c1C 13097463 XZBLJWJQAXVKNZ-OAHLLOKOSA-N 444.509 2.995 0 40 IFAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N[C@@H]1CCSc2ccc(F)cc21 14184635 KZCDXMVLYSBDBD-ZHRRBRCNSA-N 441.484 2.709 0 40 IFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1S(=O)(=O)c1ccc(C)cc1 15676403 NVXVDHLTPWPMEH-FQEVSTJZSA-N 425.510 2.528 0 40 IFAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nc(=O)n3ccccc3n2)sc2c1CCC2 16048063 OHXMDLZPJDOXTG-LLVKDONJSA-N 444.538 2.936 0 40 IFAB COc1ccc(N[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C 18942459 XWSVOFNXXLKAAV-HIGJEIRPSA-N 435.590 2.831 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NCc1cccc(Cl)c1 19077322 PFNMSCVPZJBAOF-MRXNPFEDSA-N 438.962 2.964 0 40 IFAB O=C1COc2ccc(C(=O)C3CCN(C(=O)c4ccc(CN5CCCC5)o4)CC3)cc2N1 19345463 ADUPRAGUJZEVAN-UHFFFAOYSA-N 437.496 2.941 0 40 IFAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC(c3nnc4n3CCCCC4)CC1)C(=O)C2 19460791 UZPCJTQVFPYZHW-JTSKRJEESA-N 434.606 2.909 0 40 IFAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)c1nn(CC)c(=O)c2ccccc12 19520536 QZFKGUHFNYMAPZ-WMZOPIPTSA-N 445.523 2.825 0 40 IFAB COc1cccc(S(=O)(=O)N2CC[C@@](Cc3cc(C4CCCCC4)no3)(C(N)=O)C2)c1 19739148 BKSIECZAAMNQMD-QFIPXVFZSA-N 447.557 2.840 0 40 IFAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CSC2 23138909 UKIZGRCYJDKHHU-UHFFFAOYSA-N 428.436 2.664 0 40 IFAB COC(=O)c1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 24864706 BAJJBTQCSAKEJK-UHFFFAOYSA-N 431.514 2.970 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)NC[C@H]1CN(Cc2ccccc2)CCO1 25685669 ZTSXRFXMWBTRCL-INIZCTEOSA-N 429.571 2.643 0 40 IFAB Cc1ccccc1CSCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30852135 AYCUZVPMVJCNFI-UHFFFAOYSA-N 448.610 2.820 0 40 IFAB Nn1cc(-c2ccccc2)nc1SCc1cccc(S(=O)(=O)N2CCOCC2)c1 32910970 HZXFARXSIMBEBO-UHFFFAOYSA-N 430.555 2.577 0 40 IFAB CC(=O)N1CCN([C@@H](C(=O)O)c2cn(Cc3ccccc3)c3ccc(C(=O)O)cc23)CC1 36365491 KUCBOORGXUXZDX-JOCHJYFZSA-N 435.480 2.678 0 40 IFAB COc1ccccc1C(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(N)=O)cn1C)n2C 36369947 FMGMJWUWUYSBJU-UHFFFAOYSA-N 433.468 2.947 0 40 IFAB biogenic O=C(CCS(=O)(=O)C1CCCC1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 40131743 LNRQFEYFTAVLTH-UHFFFAOYSA-N 434.514 2.591 0 40 IFAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1 40154587 LYPMZGCMMRKMMT-UHFFFAOYSA-N 425.526 2.686 0 40 IFAB O=C(c1ccco1)N1CCN(C(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 40926785 FXPIHSHUJXIJAG-UHFFFAOYSA-N 449.511 2.526 0 40 IFAB C[C@]1(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)NCCc2c1[nH]c1ccccc21 57731607 MYTDKUUBKDVOIG-DEOSSOPVSA-N 430.508 2.670 0 40 IFAB CCN(CC)CCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc3c(c2)CCO3)CC1 58165845 IMPWJSFGGOWPSI-GOSISDBHSA-N 430.593 2.952 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(Nc4cccnc4)CC3)C2)s1 58331294 KGLKMCPGHPKDNT-QGZVFWFLSA-N 448.614 2.955 0 40 IFAB COc1ccc(NC(=O)C[C@H](CN2CCN(c3cccc(OC)c3)CC2)C(=O)O)cc1 71283741 MMLXLMXEKVLOHN-QGZVFWFLSA-N 427.501 2.555 0 40 IFAB CN(C(=O)COC(=O)COc1ccc(I)cc1)c1ccccc1 72331001 QOQNDWDETQPHDA-UHFFFAOYSA-N 425.222 2.876 0 40 IFAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)nc2c1CNCC2 72372310 VNLMIAVYKHKNGJ-GOSISDBHSA-N 445.589 2.705 0 40 IFAB O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NC(c1ccccc1)c1ccccc1 89827641 VPVNNXJQTBQWHZ-UHFFFAOYSA-N 449.507 2.690 0 40 IFAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)n1 95946538 WEEFPSHJWPGPLV-OAHLLOKOSA-N 431.514 2.894 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CCN(S(=O)(=O)CCOc2ccccc2)C1 96120144 JUAQJBFGZFPECM-GOSISDBHSA-N 429.947 2.597 0 40 IFAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(S(=O)(=O)c2cccs2)CC1 96983419 CUTDHMODIKMTHS-HNNXBMFYSA-N 430.555 2.630 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206841860 AFQMVDVSAANYIG-KRWDZBQOSA-N 427.482 2.526 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1N1CCCC1=O 216462321 AHBPBPFKUWJVEE-UHFFFAOYSA-N 440.525 2.795 0 40 IFAB CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220501803 RTKIFQPBGFKFCL-LJQANCHMSA-N 434.558 2.916 0 40 IFAB CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220591864 FLCOKTHVCSPHAQ-HXUWFJFHSA-N 433.549 2.715 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1OC 224830194 NCKNDOFAASNXNU-UHFFFAOYSA-N 445.585 2.909 0 40 IFAB CCOc1cc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O 254761041 GNYBGNZJCFFIEW-UHFFFAOYSA-N 425.441 2.829 0 40 IFAB Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)CCN3C(=O)CCNC3=O)C2)n1 257245800 IRDKTFPYDVPPLK-KRWDZBQOSA-N 436.516 2.567 0 40 IFAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 257283244 OXLIVOKVYGYYQK-KRWDZBQOSA-N 432.546 2.509 0 40 IFAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N4CCOCC4)C3)c2)c1 257283245 OXLIVOKVYGYYQK-QGZVFWFLSA-N 432.546 2.509 0 40 IFAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(C)nc(N)n1)[C@H]2Cc1ccccc1 257289716 PZWLLZFJJKMZON-ZWCDFLAXSA-N 433.556 2.983 0 40 IFAB CCN(Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(OC)cc1 260565689 SJIWLEDTRWQBNH-HXUWFJFHSA-N 432.542 2.815 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 408665451 RQGMJUTVVKDBHR-WYZBVHOTSA-N 426.513 2.841 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409379757 ZEFSQEALQOBNCM-MRXNPFEDSA-N 446.525 2.830 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C 3557049 AIHIVTGBTJWUPC-OAQYLSRUSA-N 444.553 2.593 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1C 4748705 SXYJWZNWOQKBFP-UHFFFAOYSA-N 429.586 2.786 0 40 IFAB CCCCn1c(SCC(=O)Nc2c(C)n[nH]c2C)nc2cc(S(N)(=O)=O)ccc21 6147753 CZHZQYGCQVFXKQ-UHFFFAOYSA-N 436.563 2.555 0 40 IFAB CN(CC(=O)OCC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 8632090 HHLDUHYVEQFFOA-UHFFFAOYSA-N 431.297 2.796 0 40 IFAB Cc1cccc(CN2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1 9062583 SKMQZVOALLJHRE-UHFFFAOYSA-N 441.597 2.740 0 40 IFAB CCOC(=O)c1sc2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2c1C 9124852 PVGALRNBPBROKI-UHFFFAOYSA-N 433.917 2.955 0 40 IFAB CC(C)C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O 9632572 ZFRCSRAEAMKSHJ-HNNXBMFYSA-N 425.510 2.985 0 40 IFAB COCCn1cc(C(=O)NCCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661579 ZANOWYWUNOXTGZ-UHFFFAOYSA-N 446.507 2.766 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCc1nc2ccccc2c(=O)[nH]1 9670400 KXYHNENDFBPVCJ-UHFFFAOYSA-N 428.876 2.615 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1 9743370 XOIYFVZVXQVLTB-IBGZPJMESA-N 435.590 2.575 0 40 IFAB Cc1cccc(C(=O)N(Cc2ccco2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 9796555 IXXZJUUDBCMEPU-UHFFFAOYSA-N 430.464 2.916 0 40 IFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(-c2nnnn2C2CC2)c1 9893050 DLWTZZQUZYZLKP-UHFFFAOYSA-N 446.492 2.976 0 40 IFAB CN1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)CC1 12089322 YXGFLFDNFYMYNN-FQEVSTJZSA-N 443.555 2.705 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)cc2n1 12161308 ADJAVDBNLWEQGK-LJQANCHMSA-N 442.541 2.697 0 40 IFAB COc1cccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(F)F 12506911 ZOFZPDZVWMXHTG-QGZVFWFLSA-N 431.399 2.904 0 40 IFAB O=C(CNc1cccc(-c2nnnn2C2CC2)c1)Nc1cc(Cl)ccc1-n1cncn1 12521649 OOCCSANHECQMIA-UHFFFAOYSA-N 435.879 2.960 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(N2CCCC2=O)cc1 12694612 AVPDPAJBYKXJBO-UHFFFAOYSA-N 433.555 2.841 0 40 IFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(C)c1 12771090 KWQZLGMOBRTYKV-UHFFFAOYSA-N 430.526 2.611 0 40 IFAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 12977132 ZPBPYCIKJSMQNZ-GOSISDBHSA-N 436.530 2.814 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccncc3)C2)cc1Cl 13119420 YQVFLWRJWGDNCM-MRXNPFEDSA-N 437.949 2.851 0 40 IFAB CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 13502739 ALHFWGZDNDXQMI-IBGZPJMESA-N 449.573 2.670 0 40 IFAB CC(C)(C)CC(=O)N1CCC(c2nc(=O)c3nnn(Cc4cccc(F)c4)c3[nH]2)CC1 13565520 GCFSWWJCHBXLSZ-UHFFFAOYSA-N 426.496 2.844 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 13566851 PNLCLJANLRAYEQ-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)O)c1ccccc1 13591628 VKPFZCMHCWMCPF-UAOJZALGSA-N 438.484 2.512 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)c1 13675949 KMBGITCFOCCXTA-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NC[C@H](c1ccc(F)cc1)N1CCOCC1 14170558 UXDUVNYLMLPJKH-MRXNPFEDSA-N 447.561 2.998 0 40 IFAB CCNC(=O)COc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1OC 15503926 AXMPCBSFOYHQIO-SBUREZEXSA-N 439.512 2.956 0 40 IFAB COc1ccc(C(=O)N2C[C@@H](c3ccnc(N4CCCC4)n3)[C@H](CN(C)C)C2)cc1OC 19583320 LWXOTLXGHIPBKX-RTBURBONSA-N 439.560 2.511 0 40 IFAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)n1 19693737 ZWJPSKQGZPDGKP-AWEZNQCLSA-N 442.470 2.616 0 40 IFAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)Nc4nccs4)[nH]n3)C2)cc1F 19707675 YJRICTWPUULHCJ-GFCCVEGCSA-N 435.506 2.744 0 40 IFAB Cc1cc(C(=O)NCC[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3)CCO2)c2c(C)noc2n1 19712050 NLCJREBWVYETGI-AEFFLSMTSA-N 443.525 2.981 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19742030 OUALMFYZFUODGQ-FQEVSTJZSA-N 448.502 2.964 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)CCn4nccc4C)C3)nc2C)cc1 19766244 XQLJFBBPBVCKTM-GOSISDBHSA-N 448.527 2.957 0 40 IFAB O=S(=O)(N1CCCCCC1)N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 21415653 WDSYEDYTMSOMEL-UHFFFAOYSA-N 439.969 2.628 0 40 IFAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 23078638 GLLRPKSCHOSPGI-PXNSSMCTSA-N 437.587 2.644 0 40 IFAB O=C(NC1CCN(C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 27119652 MYEVAVCPCCFHFJ-UHFFFAOYSA-N 434.945 2.925 0 40 IFAB CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 28914337 HJCUSCRIRYMFCK-CYBMUJFWSA-N 428.304 2.966 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 30952992 IUEXMPLSSYQIEJ-AWEZNQCLSA-N 430.844 2.661 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCC1=O)C2=O 31495857 TXDZFLLPGZMCMP-IQMFZBJNSA-N 426.517 2.889 0 40 IFAB COc1ccccc1OCCNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC 32999722 OCCBDNMEKNDKBW-QGZVFWFLSA-N 432.542 2.751 0 40 IFAB NCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 33753895 VWLAGVVQCMHHJW-UHFFFAOYSA-N 449.488 2.911 0 40 IFAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@H]54)[C@@H]23)cc1 33821774 ZGOYGPMYIGGZBU-ZFBQMQJZSA-N 446.459 2.795 0 40 IFAB CCc1ccc([C@H](C)NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 37470506 WQKWQQRBVBUYLY-ACRUOGEOSA-N 428.621 2.548 0 40 IFAB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 38181329 GIJGIPLGYRFWEW-INIZCTEOSA-N 441.875 2.850 0 40 IFAB CCc1nc(CN2CCN(C(=O)[C@H](NC(=O)c3ccc(OC)cc3)C(C)C)CC2)cs1 48313963 RCQVMSAGZKIBPC-OAQYLSRUSA-N 444.601 2.813 0 40 IFAB CN(CC(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)S(C)(=O)=O 48984877 AKKVGTKSGRKRKQ-UHFFFAOYSA-N 441.387 2.967 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3[nH]ncc3c2=O)cc1 51316551 MUPKFERIMCEQBL-UHFFFAOYSA-N 425.470 2.509 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 59589060 CLMDDVLKPJOZKG-HKUYNNGSSA-N 434.562 2.786 0 40 IFAB O=C(CS(=O)(=O)C1CCCC1)NCC1(c2ccc(Br)cc2)CCOCC1 72070799 MJUNIUHRTLQHMN-UHFFFAOYSA-N 444.391 2.971 0 40 IFAB O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 77101350 OOWLLHFAVVFDPH-SFHVURJKSA-N 439.493 2.722 0 40 IFAB O=NN(C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1 77311871 TXDRIMZKXCWKRC-UDKICSLYSA-N 434.439 2.757 0 40 IFAB in-vitro O=C(NCC1(O)CCC2(CC1)OCCO2)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 78968603 DKPHZOHBRNDEAP-MRXNPFEDSA-N 429.300 2.651 0 40 IFAB Cc1ccc(F)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 95995727 IFHXVCKRFWZZPK-UHFFFAOYSA-N 448.925 2.609 0 40 IFAB CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccc(OC)cc1)CC2 96262305 RSAUQOBNBMCHDA-XZOQPEGZSA-N 448.567 2.675 0 40 IFAB CN(C)c1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 96600709 DSWSWVLIYUBZBC-XDHOZWIPSA-N 439.493 2.948 0 40 IFAB CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5ccncc5)CC4)nn3c(O)c2C1 100232657 JSKOKSZHJQNQBP-UHFFFAOYSA-N 434.544 2.894 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 223001648 PYRKVNCCSQQVTK-AVRDEDQJSA-N 426.513 2.787 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1N1C(=O)CCC1=O 223253830 VEFBSEVUEFHUMJ-AWEZNQCLSA-N 428.510 2.877 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 223757751 LNWYDJKKHRVXLL-UHFFFAOYSA-N 433.486 2.973 0 40 IFAB CCN(Cc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224462111 YBKXDEWRWIZJHO-UHFFFAOYSA-N 435.977 2.938 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)n1 257250589 JNEHSQADVCGKKT-LJQANCHMSA-N 445.907 2.909 0 40 IFAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 408654048 JGCOJKPBMBJTDF-CQSZACIVSA-N 430.844 2.661 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408655043 HGUQPSVRNOUENC-CJBVTVNNSA-N 442.512 2.623 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)cc1 408679712 CWRVTNJDWJRFHJ-UHFFFAOYSA-N 436.449 2.751 0 40 IFAB COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 408709920 ILDBCKGSGZAYCM-UHFFFAOYSA-N 445.519 2.965 0 40 IFAB COc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1 409171023 YLWSFGGNDBSWAI-UHFFFAOYSA-N 425.514 2.837 0 40 IFAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN(C)C)c(OC)c2)c1 585274439 WPGUPHUVUHAAKO-FQEVSTJZSA-N 432.561 2.906 0 40 IFAB O=C(CCCC(=O)Nc1cnn(CC(F)(F)F)c1)Nc1cnn(CC(F)(F)F)c1 605275756 DLZNFOLIDSKJKE-UHFFFAOYSA-N 426.321 2.952 0 40 IFAB O=C(Nc1ccc(-c2nncs2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1270934891 PYOXJFWLKIUQBE-UHFFFAOYSA-N 428.539 2.688 0 40 IFAB COc1ccccc1N(CCOC(=O)c1cccnc1)C1=NS(=O)(=O)c2ccccc21 1462432 ICZQMXRKRFPYBG-UHFFFAOYSA-N 437.477 2.903 0 40 IFAB Cc1c(NC(=O)COC(=O)c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C 3312923 FCHILFPJMWLHDR-UHFFFAOYSA-N 434.246 2.635 0 40 IFAB O=C(O)CCc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]c1=O 3407720 AJXQPOILPDPACI-UHFFFAOYSA-N 436.799 2.585 0 40 IFAB COc1ccc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1OC 3545143 AANPSFKAFWZPPC-UHFFFAOYSA-N 427.862 2.556 0 40 IFAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccccc2)CC1 4767611 FPZWDNOOJIVFFC-UHFFFAOYSA-N 426.476 2.641 0 40 IFAB Nc1nc(SCC(=O)Nc2cc(F)ccc2F)ncc1S(=O)(=O)c1ccccc1 9152086 RMXAYLNBNFSDRG-UHFFFAOYSA-N 436.465 2.901 0 40 IFAB C[C@@H](NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)c1cc2ccccc2o1 9207621 DGIRDFKFEIPPJX-UZUQRXQVSA-N 449.507 2.736 0 40 IFAB O=C(CSc1nnc(Cc2ccccc2)o1)N1CCN(C(=O)c2cccs2)CC1 9349535 YPTQPNVYMPRXPS-UHFFFAOYSA-N 428.539 2.799 0 40 IFAB Nc1nc(SCC(=O)Nc2cccc(F)c2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518053 IOLDDUYWQBWVLJ-UHFFFAOYSA-N 431.424 2.613 0 40 IFAB CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2cc(S(N)(=O)=O)ccc21 9672185 DJSCLMUYAALBJQ-UHFFFAOYSA-N 448.574 2.746 0 40 IFAB C[C@H](CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)c1ccccc1 9984642 AFOUBXMOIMMBTP-MRXNPFEDSA-N 429.542 2.705 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)CC1 10113795 IUDRIDNRIUZOHH-IBGZPJMESA-N 445.585 2.815 0 40 IFAB COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2 10186681 PCOWFMJSOMGYSD-UHFFFAOYSA-N 436.537 2.592 0 40 IFAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 10271899 BEXFGYIKJCNZTM-CYBMUJFWSA-N 427.892 2.867 0 40 IFAB CN(Cc1ccccc1F)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccco1 11485737 HCUNXKJMPBTMGS-UHFFFAOYSA-N 445.520 2.646 0 40 IFAB Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 12127931 CEVMYXCDLXWVIQ-QGZVFWFLSA-N 435.484 2.665 0 40 IFAB Cc1ccccc1NC(=O)C1(N(Cc2ccccc2)C(=O)Cn2nnnc2N)CCCCC1 12463094 RORSYMCHOIINOJ-UHFFFAOYSA-N 447.543 2.934 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(F)c3)n2)cc1 12480571 OVWDZVYZNVAAIQ-UHFFFAOYSA-N 436.491 2.880 0 40 IFAB O=C(c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCc2ccccc2C1 12526405 SMYZLCPPWNGQQJ-UHFFFAOYSA-N 448.504 2.856 0 40 IFAB COc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 12758634 ZJWAKOHDIODKGV-QGZVFWFLSA-N 444.528 2.833 0 40 IFAB CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccs1 13120448 WPQZZJRZCVTHQK-AWEZNQCLSA-N 442.632 2.790 0 40 IFAB O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1)NCCc1ccccc1 13501588 HHGQUMCQWUHWGQ-UHFFFAOYSA-N 440.525 2.843 0 40 IFAB COC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2)c1=O)COC(C)(C)C3 13609293 HVYLFJQQRXYEFX-UHFFFAOYSA-N 448.928 2.951 0 40 IFAB O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)NCc1ccccc1Cl 13964130 UWLRSEIURBHBFG-UHFFFAOYSA-N 440.912 2.638 0 40 IFAB Cc1c(NS(=O)(=O)c2ccc(C(=O)NCC(C)C)cc2)c(=O)n(-c2ccccc2)n1C 15590689 GYQUYEYRQNBXSE-UHFFFAOYSA-N 442.541 2.671 0 40 IFAB COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 15898365 KJVCWLRRHINWCD-UHFFFAOYSA-N 448.541 2.741 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 15970191 UVRFNUIXRWDDPF-XWXXCGAPSA-N 435.505 2.531 0 40 IFAB CCOc1cc(C(=O)OCc2ccc(C(N)=O)cc2)ccc1OCC(=O)N1CCCCC1 16116430 RLFWKEQVRBXWKW-UHFFFAOYSA-N 440.496 2.933 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C3CCOCC3)[nH]c(=O)c2C1 19014774 ZEDIOPUVMKGKSO-NRFANRHFSA-N 428.577 2.941 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)Cc2c[nH]nc2O)C1 19212556 FZTBPRBAKYOKCQ-VWLOTQADSA-N 432.524 2.841 0 40 IFAB CN1C[C@@H](C(=O)N2CCc3nc(-c4ccncc4)nc(Nc4cccc(F)c4)c3C2)CC1=O 19587335 JVHFDXOVQXQUBY-INIZCTEOSA-N 446.486 2.784 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)n1 19694338 GLMIOJOUHCLIRC-LJQANCHMSA-N 436.491 2.810 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CN3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738887 YRHRNYRCOGPMKR-OAQYLSRUSA-N 447.583 2.719 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)c2c(C)[nH]c3ccccc23)CC1 24942167 YDJIRJGPYQBKCK-OAHLLOKOSA-N 430.530 2.659 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CCC(=O)N[C@H](C)c3ccccc3)CC2)cc1 24954792 QYYCGFMITJNPFQ-HXUWFJFHSA-N 429.586 2.959 0 40 IFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 25189091 TWGYAONTVPNWCP-UHFFFAOYSA-N 446.887 2.916 0 40 IFAB O=C(CCN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1F 25678031 MJOHWYLBJJELLH-UHFFFAOYSA-N 431.942 2.876 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1 26409227 ULEWKZOTSLCJFO-OXQOHEQNSA-N 448.541 2.810 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(c2nccs2)CC1 29986892 GFRDVMYCTUEYLU-CYBMUJFWSA-N 435.347 2.607 0 40 IFAB CC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31451375 KFYUXQAFBGUGFZ-UHFFFAOYSA-N 434.418 2.551 0 40 IFAB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)s1 32843971 ISMYTEITACEJOM-KRWDZBQOSA-N 438.962 2.839 0 40 IFAB CN(C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCc2ccccc21 36385518 UZULHUAHTPYPNA-QHCPKHFHSA-N 441.597 2.670 0 40 IFAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N3CCOCC3)cn2)cs1 48235093 DHCQFOJWZKJKJO-UHFFFAOYSA-N 427.486 2.710 0 40 IFAB Cc1oc(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)cc1S(=O)(=O)N1CCCC1 48326833 ZSKPUQKLEAMAFW-IBGZPJMESA-N 448.541 2.860 0 40 IFAB O=C1COc2ccc(C(=O)C3CCN(C(=O)NCc4ccc5c(c4)OCO5)CC3)cc2N1 58243962 BSRGKQQLMXMWMG-UHFFFAOYSA-N 437.452 2.551 0 40 IFAB COC(=O)c1sccc1NC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 72261277 OWRCOWBIZMPLON-UHFFFAOYSA-N 433.515 2.996 0 40 IFAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1nc2ccc(Br)cn2n1 72310548 CFTWEIDJTBWLMY-UHFFFAOYSA-N 439.229 2.587 0 40 IFAB Cc1cc(NC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)nn1C 72327693 PPPYNWWEHXRFNH-NRFANRHFSA-N 430.892 2.737 0 40 IFAB COc1cccc(CNC(=O)c2ccc(C3CCN(Cc4cnn(C)c4)CC3)nc2N)c1 72348369 SFHVOFVXQBMCKR-UHFFFAOYSA-N 434.544 2.716 0 40 IFAB CCOC(=O)C[C@H](c1cccc(OCc2ccccn2)c1)c1oc(CO)cc(=O)c1O 72401000 ALYQIMDVNOAMFC-LJQANCHMSA-N 425.437 2.897 0 40 IFAB COc1cccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(-c5nc(C)no5)cn4)C3)[nH]n2)c1 90592186 DCXWDZNTAVVTNH-KRWDZBQOSA-N 445.483 2.847 0 40 IFAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 95350727 LFLSYUKXQBIIMB-CQSZACIVSA-N 439.990 2.686 0 40 IFAB COCCn1cc(C(=O)Nc2n[nH]c(Cc3ccc(OC)cc3)n2)c2ccccc2c1=O 95474797 CLFLGNAVJFUPMR-UHFFFAOYSA-N 433.468 2.618 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 96595894 STXPDPYAFAFEPZ-JYYCZZOTSA-N 445.566 2.602 0 40 IFAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 218094246 AYXRSYVHBPGNIT-RTBURBONSA-N 432.494 2.748 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220451101 OVVMKUWHOIPDPZ-ZDUSSCGKSA-N 439.484 2.896 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 224451761 WRBJFBDACZTXMA-KRWDZBQOSA-N 431.558 2.924 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c1 224508306 MWPQJDUDLSWLDW-SFHVURJKSA-N 445.585 2.762 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(F)c(F)c1 224609617 JADPKCMYYXQLGD-UHFFFAOYSA-N 437.512 2.643 0 40 IFAB O=C(O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 224841224 AGZDNBLXAAQUQO-UHFFFAOYSA-N 446.250 2.639 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)ccc21 225051259 DHZYCZRROHXTSL-UHFFFAOYSA-N 437.568 2.701 0 40 IFAB O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225506192 LFJXONHCMNMDKO-GOSISDBHSA-N 441.553 2.962 0 40 IFAB CCn1c(=O)oc2cc(NC(=O)CN3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc21 257211796 CALFZLKWNJPMAO-REWPJTCUSA-N 443.475 2.596 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N2CCCCC2)cc1 257214998 COFYAZHYJPEGCA-LJQANCHMSA-N 432.546 2.960 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC 408627458 ZVBHNGBABCXDMZ-LLVKDONJSA-N 428.894 2.671 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@@H]2c2ccccc2)cc1 409058699 KKYJVAULILEZAY-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB O=S1(=O)C[C@@H](O)[C@@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)C1 575420927 LBDSYOHBVGGFRW-VQTJNVASSA-N 443.396 2.743 0 40 IFAB CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 614799671 JFDDTZORLILMKC-GFCCVEGCSA-N 437.905 2.644 0 40 IFAB O=C1NCCOCCOc2ccc(C(=O)NCc3cccnc3)cc2Cc2cccc1c2 643573384 UPRPLLRINRZXAI-UHFFFAOYSA-N 431.492 2.741 0 40 IFAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c2F)cc1 1775972613 NMSZKJJGQMOLCU-UHFFFAOYSA-N 449.552 2.534 0 40 IFAB COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 2332216 PFFFMIOYUUMGJS-UHFFFAOYSA-N 438.538 2.974 0 40 IFAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2C1=O 3475605 BRHOUCCXNQDCHB-HOTGVXAUSA-N 436.464 2.588 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 8397374 BZWBPYBIYIFVTB-UHFFFAOYSA-N 435.354 2.689 0 40 IFAB O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(I)cc1 8674544 QFXKJHCDSILXEP-MRXNPFEDSA-N 442.322 2.844 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12)C(=O)O 8792080 XCTRPQGBIPSZOQ-BEFAXECRSA-N 429.521 2.742 0 40 IFAB biogenic CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)sc2c1 9095571 GDZFLYNOHYXCOR-UHFFFAOYSA-N 433.511 2.784 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)c1 9262085 BGXXXFCKZWNAAR-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C 9462528 YSBQUSHBAVZNMV-CVEARBPZSA-N 426.469 2.894 0 40 IFAB O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1ccc2c(c1)OCO2 9600173 LZKSUGXNOSJKFZ-UHFFFAOYSA-N 448.551 2.918 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 9745026 OKBAYTQWLXAFRE-IBGZPJMESA-N 447.532 2.822 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)cc1 9806244 NJQVHULUFJTKAJ-GOSISDBHSA-N 429.542 2.520 0 40 IFAB CCOC(=O)c1ccccc1O[C@H](CC)C(=O)NCC(=O)c1ccc2c(c1)OCCO2 11615315 BHHCTBQFPDXVGK-GOSISDBHSA-N 427.453 2.791 0 40 IFAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 12323142 FZRRAQBPMPYCAS-UHFFFAOYSA-N 441.296 2.676 0 40 IFAB CN(C(=O)CSC[C@@H](O)[C@@H](O)CSCC(=O)N(C)c1ccccc1)c1ccccc1 12414115 FVVYERYGDIUBDS-BGYRXZFFSA-N 448.610 2.501 0 40 IFAB COc1cc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2C)cc(OC)c1OC 12445932 WMNJKGCEISBKGT-UHFFFAOYSA-N 444.484 2.511 0 40 IFAB CSc1nc2nc(C)c(CC(=O)N[C@H](c3cccc(F)c3)c3nccn3C)c(C)n2n1 12547769 UCTXUBIACSGXNP-GOSISDBHSA-N 439.520 2.784 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1 13068695 DJXLZGCZQZYGHL-FPTDNZKUSA-N 441.509 2.869 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1S(=O)(=O)N1CCCC1 14069536 FUIHQLHMMSNYMB-UHFFFAOYSA-N 443.525 2.624 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15136158 DIDPQQTWXRCGCC-KRWDZBQOSA-N 444.532 2.701 0 40 IFAB Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1S(=O)(=O)c1ccccc1 17011458 LROHOQUGESRNKF-UHFFFAOYSA-N 440.477 2.665 0 40 IFAB CC(C)(C)c1n[nH]cc1CN1CCO[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703195 CPZLJKKMXISKRM-INIZCTEOSA-N 443.573 2.613 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)c2c(C(C)C)noc2C)nc2c1CCN(C(C)=O)C2 19707483 YAFYPUPGIUKQCI-KRWDZBQOSA-N 426.521 2.820 0 40 IFAB CNc1nc(C2CCN(C(=O)CCN(C)c3cccc(F)c3)CC2)nc2c1CCN(C)C2 19710956 YORNFBZVPSMRNA-UHFFFAOYSA-N 440.567 2.878 0 40 IFAB CNC(=O)c1cnc(C2CCN(C(=O)c3cc(-c4cccc(OC)c4)n[nH]3)CC2)nc1C 19766462 FKEBNRCUHXLVAU-UHFFFAOYSA-N 434.500 2.563 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc12 19940884 DJKVQBXTKOFNIP-JOCHJYFZSA-N 430.512 2.601 0 40 IFAB O=C(NOCC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 20218725 WQUHPBSJWBXCMA-UHFFFAOYSA-N 442.825 2.764 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 26686112 FSCMNTXFWPGWJH-UHFFFAOYSA-N 442.921 2.981 0 40 IFAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O 32830377 MSYVQNQRGCRWNO-WAIKUNEKSA-N 439.468 2.572 0 40 IFAB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1 35289869 BHOYBTDQXRBNDS-QHCPKHFHSA-N 436.560 2.857 0 40 IFAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC)C(=O)OC 36594907 YQDYWYLIQHDLLL-YHBQJITHSA-N 430.505 2.672 0 40 IFAB COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 44894129 CTQCIFKQFVJFPA-UHFFFAOYSA-N 438.955 2.866 0 40 IFAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 48252375 UIAZGSXSLDOWQO-SFHVURJKSA-N 447.557 2.516 0 40 IFAB COc1cc(CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc(OC)c1OC 48302857 HITONYRULVSYIE-KRWDZBQOSA-N 434.436 2.934 0 40 IFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Br)ccc1F 61720694 LUAKAXGPUAXTNP-BJOHPYRUSA-N 425.258 2.530 0 40 IFAB Cn1ccnc1COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1 72259923 HAQMJJXOIBPOAQ-UHFFFAOYSA-N 447.539 2.832 0 40 IFAB COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 72305325 XRHGCZWBMLBQQX-NVXWUHKLSA-N 431.489 2.507 0 40 IFAB C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1nc(-c2ccccc2)no1 89901244 WVZJXAVPHGQSLY-ZDUSSCGKSA-N 432.502 2.940 0 40 IFAB COc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)N3CCOCC3)sc2c1 95479957 KPRRZOABVAFFQW-GOSISDBHSA-N 440.525 2.897 0 40 IFAB Cc1cc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)ccc1Br 96124179 XXYBOKGCCJNANF-UHFFFAOYSA-N 442.321 2.983 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 100268186 YNYNFYUQBFGBCL-XSDIEEQYSA-N 426.469 2.902 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)C[C@@H](C)O1 100853532 MFFXAQYGQHWLAY-QWAUMEEFSA-N 445.566 2.779 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4C)[C@@H]3C2=O)cc1Cl 101168772 NZNOGCTUPMFIKR-ROUUACIJSA-N 427.848 2.589 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)N1C(=O)c2ccccc2C1=O 105672650 LQCUFJLJUWXCSI-ILRDRHFLSA-N 446.569 2.888 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105881762 SYHJUOTXUQOPJS-DUPRYPCISA-N 448.585 2.815 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c1 220219417 OLCNZUSHIWRBKP-HNNXBMFYSA-N 438.521 2.746 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222482706 HBBGAKARYABZHJ-LJQANCHMSA-N 445.585 2.559 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 223172618 XKPIDEDKUFHSEO-XZOQPEGZSA-N 448.596 2.962 0 40 IFAB CCOc1ccc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC 224677934 HIJXJYJYYKDTMH-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB CCc1ccc(OCCNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 224739793 JHWDFGXGNZCQSF-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CS(=O)(=O)N(CCCC(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCCO2 224845185 KRNXUKVMTZSYHV-UHFFFAOYSA-N 426.441 2.921 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nnc(SC)s2)cc1C(=O)N1CCC(C)CC1 224871847 VAEISOKYEBCFCH-UHFFFAOYSA-N 442.588 2.942 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225069166 PJCSUWVOJMDJPR-QGZVFWFLSA-N 449.554 2.792 0 40 IFAB COc1ccc(C(=O)N2CCS/C2=C/c2csc(C)n2)cc1S(=O)(=O)N(C)C 225257512 DLJVJNDYASWJMQ-LICLKQGHSA-N 439.584 2.898 0 40 IFAB C[C@]1(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CCS(=O)(=O)C1 257279244 OFSKHALOMNMLAG-QFIPXVFZSA-N 428.554 2.781 0 40 IFAB Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3ccc(F)cc3)CC2)C1 585287824 SPPUKAFVJVWAQG-RUZDIDTESA-N 444.547 2.608 0 40 IFAB COc1cc([C@H](CC(=O)O)c2n(O)c(C)c(C)[n+]2Cc2ccc3c(c2)OCO3)ccc1O 604405232 OESLQABXHORWTB-KRWDZBQOSA-O 441.460 2.728 0 40 IFAB biogenic O=C(c1ccccc1S(=O)(=O)C(F)F)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254658 BWCVQCBKNKOWJG-ZDUSSCGKSA-N 433.436 2.920 0 40 IFAB CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1310411 WROLIRSVAPUPSI-UHFFFAOYSA-N 430.464 2.700 0 40 IFAB COc1ccc(C(=O)NCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1OC 2642944 VUMYLWYUUFJVRI-UHFFFAOYSA-N 437.448 2.772 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1 3317883 ZRZRXOQKORZDOQ-UHFFFAOYSA-N 436.917 2.598 0 40 IFAB aggregator CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccc(OC)cc3)nnc12 3375814 SMAZZGYFWXTZSS-UHFFFAOYSA-N 437.525 2.871 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)n1 3547354 HSGJMLLISSTRQR-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB COc1ccc(CNC(=O)c2ccc3c(=O)n(Cc4ccc(OC)cc4)c(=O)[nH]c3c2)cc1 4791447 WMMKJBKXDJXOPX-UHFFFAOYSA-N 445.475 2.685 0 40 IFAB C[C@@H](NC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1 6283215 JVFBRSZEPPIUOX-OAHLLOKOSA-N 439.537 2.729 0 40 IFAB CC(C)C[C@H](NC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12)C(=O)O 6624243 VZVRRRQBKQFQOB-KRWDZBQOSA-N 429.521 2.742 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc1 8596372 CJVMBYVBXMWGEW-UHFFFAOYSA-N 429.517 2.571 0 40 IFAB O=c1c(Cl)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cnn1Cc1ccccc1 8728462 XBBOELYSJBCZQM-UHFFFAOYSA-N 438.915 2.996 0 40 IFAB NC(=O)c1ccc(NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 9167641 OZMYDBVFRMIBFJ-UHFFFAOYSA-N 441.447 2.829 0 40 IFAB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(OC)cc3)C2)cc1 9349072 VDCJYALFENUNFI-LJQANCHMSA-N 437.543 2.568 0 40 IFAB COC[C@H](O)CNC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 9547348 ACWBWPFICDVRCD-MRXNPFEDSA-N 431.872 2.924 0 40 IFAB COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1 9830959 JKXWJRYUCZDNFD-UHFFFAOYSA-N 444.491 2.871 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 10095446 UDTXRFNWPWDNKF-UHFFFAOYSA-N 431.436 2.847 0 40 IFAB O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)Nc1ccc2c(c1)OCO2 10516855 RXTKJRFGXOSSHM-OAHLLOKOSA-N 431.518 2.517 0 40 IFAB Cc1c(C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)oc2c(Cl)cccc12 11127099 LROQRYGVCJTHGT-UHFFFAOYSA-N 436.873 2.515 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 11780750 IALICAPZUDOYHG-INIZCTEOSA-N 429.546 2.604 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2CCC(C)C)n1 12231654 GXAZXLZXDPHHGW-UHFFFAOYSA-N 434.544 2.988 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 12575405 WSKSRALUXNUUTL-NRFANRHFSA-N 442.541 2.900 0 40 IFAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(F)c1 12740715 SLANECNADXIXTN-UHFFFAOYSA-N 432.517 2.860 0 40 IFAB C[C@@H](Sc1nnc(N2CCOCC2)n1Cc1ccccc1)C(=O)NCc1ccco1 12865676 GCJLROKAPVQUCH-MRXNPFEDSA-N 427.530 2.553 0 40 IFAB C=CC/N=C/[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 12876352 SCNQKMODOFQYOZ-QGZKAKBVSA-N 443.584 2.956 0 40 IFAB biogenic COc1ccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1S(=O)(=O)NC1CC1 12901266 ZBIMUKNPSNNXNU-UHFFFAOYSA-N 443.477 2.908 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](c1ccccc1)c1cccs1)C2=O 12909747 TXRWTBCALTZKPW-JOXBDYEASA-N 426.542 2.959 0 40 IFAB COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13165088 HFKVJRKESBCUGY-MRXNPFEDSA-N 448.541 2.757 0 40 IFAB O=C(NCc1noc(-c2ccccc2)n1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 13552566 ZOOSWXDXKUEWOA-UHFFFAOYSA-N 438.879 2.589 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 14245849 VVRZYAAZHPSTHP-QXAKKESOSA-N 449.617 2.968 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 15513291 IVZKAHNFOHJDIS-UHFFFAOYSA-N 434.521 2.591 0 40 IFAB COC(=O)c1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858457 CBMWWJOSXJBYMD-NSHDSACASA-N 436.873 2.691 0 40 IFAB COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)ccn2n1 16842013 NNOSDGAZPNNUGO-UHFFFAOYSA-N 443.419 2.999 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2ccccn2)CC1 18371388 RMEPAWBFMZZENL-UHFFFAOYSA-N 428.558 2.527 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c1 19010090 RXPVEAARFRUUNJ-NSHDSACASA-N 445.497 2.653 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[nH]c(=O)c2C1 19239467 JISJDTQWXUEIJY-DYESRHJHSA-N 447.539 2.692 0 40 IFAB CNc1cc(CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)nc(C2CCNCC2)n1 19710167 MCKIBABWBRQLLV-UHFFFAOYSA-N 447.605 2.938 0 40 IFAB COCCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 19740523 CRKRBKOKJXGUBJ-LJQANCHMSA-N 438.528 2.973 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1ccc(COC)cc1)C2 19752846 CIPVXGZDHIOSAV-LJQANCHMSA-N 437.544 2.589 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(C)cc1 20674571 XJAYZGRVDFWZJU-SFTDATJTSA-N 438.503 2.663 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3OC)C2)cc1 23595031 GGZJLACOXNHAQZ-GOSISDBHSA-N 432.542 2.763 0 40 IFAB Cc1nn(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)c2ccccc12 24528122 YFSVSPBTVWSLHW-UHFFFAOYSA-N 440.569 2.792 0 40 IFAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(OC)c(O)c(OC)c1)C(C(=O)OC)=C(C)N2 26503510 IEYFVKDQAXSDLG-CQSZACIVSA-N 433.486 2.609 0 40 IFAB COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 29993397 KGOYATRMTQLMTA-NFBKMPQASA-N 437.540 2.546 0 40 IFAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 32915291 XXEIBBNJIFXSJD-INIZCTEOSA-N 447.601 2.546 0 40 IFAB CCCn1c(=O)n(C)c(=O)c2c(SCC[S@@](=O)c3ccccc3)nc(C(C)C)nc21 32931571 RGVJUXYAGUYORR-PMERELPUSA-N 446.598 2.924 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccccc3F)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 56998159 AOLWPHSCDQGXKY-MSOLQXFVSA-N 438.908 2.502 0 40 IFAB CCOc1ccc(NC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)cc1 57520098 ATKXSQLSJSVWLA-UHFFFAOYSA-N 438.513 2.684 0 40 IFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 62613812 IIRKDCHIULICBV-HSZRJFAPSA-N 447.539 2.795 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CC(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1 89512654 QHTUVFSNBIRVTQ-UHFFFAOYSA-N 437.562 2.571 0 40 IFAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)OCC(F)(F)F)nc1 95440770 NJFVQRIQPKYNGU-VHSXEESVSA-N 431.333 2.918 0 40 IFAB CN1C(=O)C[C@@H](C(=O)N2CCC(C)(CN3CCOCC3)CC2)[C@H]1c1cccc(Cl)c1 95441794 LQQQNNHDHNHXBN-TZIWHRDSSA-N 433.980 2.820 0 40 IFAB Cc1ccsc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97139665 OVRRZSCLGYSTEO-GOSISDBHSA-N 437.525 2.518 0 40 IFAB O=C(CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 100454467 SAUNOUXVFTZGRT-IYBDPMFKSA-N 430.892 2.962 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)c3cccc(N4CCCCS4(=O)=O)c3)n2)cc1 222563324 GZXHKWBJCQEIHQ-UHFFFAOYSA-N 426.498 2.905 0 40 IFAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 222625581 HWBYDPCGFFVFRR-OAHLLOKOSA-N 436.505 2.907 0 40 IFAB Cn1c(=O)oc2cc(S(=O)(=O)NCCNc3ccnc4cc(Cl)ccc34)ccc21 223031013 LJBLOSSPHAGLHR-UHFFFAOYSA-N 432.889 2.724 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 223522141 QFTMFJGISGOSQC-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224953346 DQCLUDKUBHBPSH-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 225008608 BQWCZBLOGLBHDU-UHFFFAOYSA-N 429.542 2.701 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCOc3ccc(F)cc3)s2)c1 225192768 AKTFHWBSCRUDAT-UHFFFAOYSA-N 436.490 2.595 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1C 225533112 ZXBCYQXHPPNEOL-HNNXBMFYSA-N 434.489 2.960 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)n[nH]c1=O 225549284 NEDYWDKFCQJYOP-UHFFFAOYSA-N 434.496 2.622 0 40 IFAB O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225571695 RECVJLKWGHHPHU-UHFFFAOYSA-N 439.419 2.785 0 40 IFAB COc1ccc(CCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1OCc1ccccc1 225700914 HZWMFJVHFOZVHJ-IBGZPJMESA-N 438.480 2.787 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)cc1C 257288653 PVBZASLKRBYLBH-NRFANRHFSA-N 440.525 2.926 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(Cc4ccncc4)C[C@H]3c3cccnc3)C2=O)cc1 306124210 BJKXEURDONELMM-AZGAKELHSA-N 444.535 2.882 0 40 IFAB Cc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 306142573 XDNHAUNNAALRLY-ZCYQVOJMSA-N 429.524 2.577 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(Cl)c1 408635492 CEWKIJVXJGCGLK-UHFFFAOYSA-N 426.922 2.899 0 40 IFAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3C2=O)s1 408690567 VWWJDODOLRZYAN-UHFFFAOYSA-N 425.397 2.826 0 40 IFAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cccc(OC)c3)c2=O)=N1 409032239 LZRGQMLEVUAIHF-LUDQZLGDSA-N 434.517 2.807 0 40 IFAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409056373 DGLQMPVKAFMBTB-AYHYUOJHSA-O 430.484 2.720 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 556722542 CETZHSJSNVNYRH-ZDUSSCGKSA-N 431.539 2.997 0 40 IFAB CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(C(=O)Cn3nnc(-c4ccccc4)n3)C2)C1 1556638378 MGWNQFAATNCXMO-MOPGFXCFSA-N 440.548 2.836 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccc(F)cc2)CC1 2467729 JZVQXKRTPJOJHS-INIZCTEOSA-N 437.562 2.637 0 40 IFAB O=C(C(=O)N1CCCc2ccccc21)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007727 KTBRKLQNHJCIRC-UHFFFAOYSA-N 431.492 2.662 0 40 IFAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc1OC 3008562 ZUDNFDUNBMOTMB-UHFFFAOYSA-N 427.482 2.879 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3352900 BRTWMHNNDJEDJL-KRWDZBQOSA-N 438.528 2.623 0 40 IFAB COCCn1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCc2ccccc21 6441879 ZIEFFCWMSLXSBT-QFIPXVFZSA-N 430.512 2.930 0 40 IFAB O=C(Nc1ccccc1)C1CCN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CC1 7073662 SJCUGBMANWBBHO-UHFFFAOYSA-N 426.517 2.509 0 40 IFAB Cc1ccc(CN(C)C(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c(C)c1 8938194 UHBJMNAVTBRYAR-UHFFFAOYSA-N 437.290 2.591 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc21)C1CCCC1 9016384 VDXHGRREPAYKGM-UHFFFAOYSA-N 433.434 2.967 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9413959 SSXVBXUZBLOOSS-IBGZPJMESA-N 431.489 2.744 0 40 IFAB CCOC(=O)c1sc2nc(CSCC(=O)Nc3ccc(OC)nc3)[nH]c(=O)c2c1C 9441957 NLOWCQBBWQENBP-UHFFFAOYSA-N 448.526 2.745 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 9497908 ABLHDOFKYOYOFY-GYCJOSAFSA-N 434.496 2.694 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2ccc(C(C)=O)cc2)c1 9632518 GFXGKEROYYTTSX-UHFFFAOYSA-N 433.530 2.979 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9742973 BXUUCOBFGDJFFR-LJQANCHMSA-N 429.542 2.683 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc(Br)cc2c1=O 9821325 KEOHVESZUCMSBL-LBPRGKRZSA-N 441.285 2.923 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)OCc5ccccc5)CC4)ncnc32)c1 9851228 GPCFNTWTCYFCRM-UHFFFAOYSA-N 445.483 2.678 0 40 IFAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cn1 9983295 ZKSBMDNRQWLLPO-CHWSQXEVSA-N 439.921 2.794 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 12537629 FELJTHBPLKQFSY-UHFFFAOYSA-N 435.977 2.974 0 40 IFAB CCOC(=O)C1=C(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)NC(=O)N[C@@H]1c1ccccc1 12695169 IIIXHIULNZEWBX-YUBNGQEKSA-N 440.496 2.796 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 12979972 JAMZFDZOBDTTCK-LBPRGKRZSA-N 435.933 2.728 0 40 IFAB COc1cc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1NC(C)=O 13040044 PTWBIPBSTMEHBD-UHFFFAOYSA-N 433.530 2.838 0 40 IFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 13113111 LUVWFUYTJOUCGW-LAJNKCICSA-N 427.482 2.630 0 40 IFAB COc1cc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc(OC)c1OC 13523295 WLZGDIHUWDXBGQ-UHFFFAOYSA-N 442.468 2.544 0 40 IFAB COc1cccc(/C=c2\s/c(=C\C(=O)c3ccccc3C)n(C)c2=O)c1OC(F)F 14235726 VGYMFYMGTKNOSM-ZAORYEFMSA-N 431.460 2.857 0 40 IFAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)c1 15673500 UDLXTLMHASRURR-UHFFFAOYSA-N 447.538 2.928 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@H]4C)o3)CC2)cc1 16230898 PTGLJKXKZRFENF-AIOUJOOWSA-N 430.526 2.958 0 40 IFAB CC(=O)Nc1ccc2c(cnn2CC2(O)CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 19022744 CLWWEYQJQGALBU-UHFFFAOYSA-N 436.512 2.793 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)c1ccc3c(c1)CCCN3C)C2 19707100 ITXFPRMAGVXCDG-QFIPXVFZSA-N 448.571 2.783 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)c2c(C(C)C)noc2C)nc2c1CCN(C(C)=O)C2 19707484 YAFYPUPGIUKQCI-QGZVFWFLSA-N 426.521 2.820 0 40 IFAB CCCOc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 22384089 ROSBODJSLGRDLE-UHFFFAOYSA-N 431.558 2.590 0 40 IFAB Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3cc(C)c(C)cc3C)nc(C)n2)n1 23144541 CYCIVOWUOWLDKH-UHFFFAOYSA-N 428.562 2.903 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 23909183 KXAZNQUJTJUQMQ-UHFFFAOYSA-N 441.509 2.619 0 40 IFAB CC(C)(C)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 25159401 YPIZAWHZBHKPTP-CYBMUJFWSA-N 428.514 2.634 0 40 IFAB COc1ccc(Br)cc1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 26537596 BRIJTVYXMMRIFK-UHFFFAOYSA-N 433.306 2.559 0 40 IFAB CC(=O)c1cc(Br)ccc1OC(=O)c1nc(S(C)(=O)=O)ncc1Cl 32623829 LGTBTPSAXWMGFG-UHFFFAOYSA-N 433.667 2.718 0 40 IFAB O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC[C@H](C(F)(F)F)C1 32721290 CJHWLTSEXMFDQN-LBPRGKRZSA-N 440.871 2.775 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@@H]2CCCO2)NC(=O)N[C@H]1C 32747093 HCUCHQZEOIBPPC-KBPBESRZSA-N 434.514 2.633 0 40 IFAB COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 32755536 JWONREFJBZTXEX-UHFFFAOYSA-N 448.360 2.682 0 40 IFAB O=C(NCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1ccc(Br)o1 32898940 CXMORQNFESBMIC-UHFFFAOYSA-N 435.274 2.599 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1 33717683 ZCTGECZAFXQTIC-UHFFFAOYSA-N 427.482 2.586 0 40 IFAB O=C(CN1CCN(C(=O)CN2CCC[C@@H]2c2cccs2)CC1)Nc1ccc(F)cc1 35278994 HYLLAVXULLTION-LJQANCHMSA-N 430.549 2.807 0 40 IFAB Nc1ccccc1Sc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1C(=O)O 35324109 KPLXLAFDQUMDQP-UHFFFAOYSA-N 428.919 2.793 0 40 IFAB COCCN1CCn2c(nc3cc(N[C@H]4OC(=O)c5c4ccc(OC)c5OC)ccc32)C1 36370001 IOXLDYNITFYDHD-QFIPXVFZSA-N 438.484 2.797 0 40 IFAB biogenic C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 37503516 WEFOLVTZWYTPIB-SJKOYZFVSA-N 448.324 2.643 0 40 IFAB CC1CCN(C(=O)COc2coc(CN3CCN(c4ccccc4F)CC3)cc2=O)CC1 56949789 WQGRITIYQMWPIC-UHFFFAOYSA-N 443.519 2.738 0 40 IFAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3nccs3)c2=O)cc1 57428176 QXYLTYXWAPYFSO-UHFFFAOYSA-N 442.522 2.767 0 40 IFAB Cc1cnc2c(S(=O)(=O)Nc3cc(N4CCCS4(=O)=O)ccc3O)cccc2c1 72307279 MWPRXEFEMGRAHS-UHFFFAOYSA-N 433.511 2.590 0 40 IFAB Cc1cc(-c2cc3nc4c(c(NC[C@H](O)CN5CCOCC5)n3n2)CCCC4)c(C)o1 72337450 LWMZJABUNNCAAS-KRWDZBQOSA-N 425.533 2.590 0 40 IFAB CCc1nn(CC(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c(=O)c2ccccc12 72343197 GREMJSWFPXEHFS-QGZVFWFLSA-N 444.495 2.810 0 40 IFAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(CCC(=O)N3CCOCC3)C2)n1 72374865 MXHQKFXWBIJUNG-HXUWFJFHSA-N 438.576 2.969 0 40 IFAB COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O 79076262 WTHCCQFLARPOFU-SJLPKXTDSA-N 442.556 2.784 0 40 IFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)NCc1nc(-c3ccccc3)no1)C2 90609646 WSSZZEKIMJPPFO-AWEZNQCLSA-N 425.514 2.629 0 40 IFAB COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C(C)=O)cc3)CC2)cc1OC 95398544 YLPNLTLOIUXJRO-UHFFFAOYSA-N 440.496 2.706 0 40 IFAB Cc1nc(CCNC(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)sc1C 95418781 DTKKFAQCVRAVSZ-CQSZACIVSA-N 439.607 2.978 0 40 IFAB COCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 95465961 LAUGBKKHTMNPKZ-ROUUACIJSA-N 440.587 2.882 0 40 IFAB Cc1ccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 95481686 BUVMYZLYFKMNPE-UHFFFAOYSA-N 431.558 2.873 0 40 IFAB O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2cc(Br)ccc21 96125516 PBNREKYKTHGJHX-UHFFFAOYSA-N 432.318 2.839 0 40 IFAB CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3cc(-c4ccccn4)n[nH]3)ccc2NC1=O 96222084 TUWSXMDFKSIGSX-INIZCTEOSA-N 436.497 2.528 0 40 IFAB biogenic COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H]2CCCN(C)C2)cc1OC 96236466 NWHFPEJZKCTXDU-SFHVURJKSA-N 425.529 2.957 0 40 IFAB Cn1nc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cc1C(F)(F)F 100145900 GHGGQLWSDNIYAV-HUUCEWRRSA-N 433.434 2.987 0 40 IFAB CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(OC)cc1)n2CC(=O)OC 100876142 BKJQYFARKGQFIU-DQRAZIAOSA-N 428.466 2.802 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)Nc1ccc(Br)cc1 101388045 SUUITKOOGZOWKG-CVEARBPZSA-N 446.236 2.520 0 40 IFAB C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220449008 JQFUUXXZIDOPAC-AWEZNQCLSA-N 441.475 2.607 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 220459106 PMFAOHJEQXQYMY-LBPRGKRZSA-N 426.441 2.935 0 40 IFAB CCc1ccc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225276863 LFBHJXPFGZWINA-LJQANCHMSA-N 432.542 2.751 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1OC 225470696 ORRYTOCISHRDEE-AWEZNQCLSA-N 435.318 3.000 0 40 IFAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225736299 BYXMNMITKBIZAA-UHFFFAOYSA-N 439.899 2.728 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 226517091 QJUQTUHYQBIKIC-VUGVUFCHSA-N 443.455 2.864 0 40 IFAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 257224331 FBIOKPOZROONPC-NRFANRHFSA-N 448.567 2.514 0 40 IFAB CCCN1CCN(C(=O)CNC(C)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257336917 YQOCOZYWMRMYHB-OAQYLSRUSA-N 439.531 2.868 0 40 IFAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1 408615013 KTHVQCVNMZVBSZ-GOSISDBHSA-N 439.512 2.518 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccccc1 408617433 BARSYFNGHVLVDH-UHFFFAOYSA-N 442.541 2.602 0 40 IFAB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1C 408662984 OMBIOCRYFNSMRD-UHFFFAOYSA-N 445.269 2.844 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 502068955 CUYZPPIOAPSUPR-OAQYLSRUSA-N 449.551 2.727 0 40 IFAB CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cc1 511032566 RLUXTJBOROTDOP-JOCHJYFZSA-N 448.560 2.740 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H](CCSC)n2c(O)nc3ccccc3c2=O)cc1 524734043 QCUODUCNQHJOPX-KRWDZBQOSA-N 427.482 2.822 0 40 IFAB CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)c1cccc(C(F)(F)F)c1 561425596 LOLNXPGELUZVLR-HKUYNNGSSA-N 440.510 2.557 0 40 IFAB COc1nc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCOCC2)n1 575607833 QLGUORIFVYFFBG-UHFFFAOYSA-N 446.817 2.711 0 40 IFAB COc1ccc(N2C[C@@]3(COCCN(C(=O)c4cccc(Cl)c4)C3)OCC2=O)cc1 2055798677 XIYVDVVZYDYVFU-QFIPXVFZSA-N 430.888 2.623 0 40 IFAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 3296340 BIENZBXYYAUGIP-UHFFFAOYSA-N 428.543 2.741 0 40 IFAB C[C@H]1CN(C(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2N)C[C@H](C)O1 3446184 OMUXUCYRLSPZDL-STQMWFEESA-N 430.555 2.567 0 40 IFAB Cc1c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6300129 YSTZMMULHNSBIA-IBGZPJMESA-N 435.528 2.578 0 40 IFAB COc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(OC)cc2)cc1 8400530 DARHGKCPOYAWFW-VXKWHMMOSA-N 442.512 2.705 0 40 IFAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 8691988 ZFGIYMMYJYDQCN-UHFFFAOYSA-N 429.782 2.974 0 40 IFAB aggregator O=C(COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)Nc1ccc(Br)cc1 8732514 MLWRSNBQWULKPU-GFCCVEGCSA-N 433.258 2.904 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 8914827 LETHFPKVHTZPFC-ZRNYENFQSA-N 435.867 2.946 0 40 IFAB CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 8969300 LRHWXLHDLZFPIW-NLFFAJNJSA-N 432.524 2.801 0 40 IFAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(F)cc1F 9033956 SUHJYAOFQCJYHR-XOBRGWDASA-N 432.379 2.781 0 40 IFAB biogenic O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9209312 YPYVWQDWNBAZBW-UHFFFAOYSA-N 435.933 2.870 0 40 IFAB COc1cccc(N2C(SCC(=O)OCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 9306266 AETJOYCYSYABOQ-RBUKOAKNSA-N 446.550 2.513 0 40 IFAB CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(F)cc1 9392271 BMMCEWLHWSVUEY-GOSISDBHSA-N 425.507 2.698 0 40 IFAB COc1ccc(OC)c([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)c1 9409659 NLBUSGYDKDNNBP-MDZRGWNJSA-N 442.365 2.947 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1 9421720 ADNIVLQXYMOWBP-UHFFFAOYSA-N 438.879 2.589 0 40 IFAB CCn1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 9645342 VMIJXCBYLQVMRQ-HNNXBMFYSA-N 446.598 2.933 0 40 IFAB CCCCn1c(N)c(N(C(=O)CN2CCCc3ccccc32)C2CCCC2)c(=O)[nH]c1=O 9835995 YVIBDNDKCLJCMR-UHFFFAOYSA-N 439.560 2.647 0 40 IFAB COc1ccc(C)cc1-n1c(-c2ccc(F)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 10104602 YDJRUJLZSXZQIZ-UHFFFAOYSA-N 433.443 2.799 0 40 IFAB CCOc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1OCC 10998714 JFZPCDGHDPCZIR-UHFFFAOYSA-N 442.512 2.998 0 40 IFAB COC[C@@H](C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11121026 TUXYJXZIMIBZCI-GFCCVEGCSA-N 439.331 2.776 0 40 IFAB COc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc(Cl)c1OCC(N)=O 11414558 STODBQNAASGAER-UHFFFAOYSA-N 442.903 2.945 0 40 IFAB CCCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccc(F)cc2)n(C)c1=O 12232070 UGBQQXJGAMDYPS-UHFFFAOYSA-N 438.507 2.995 0 40 IFAB COCCNC(=O)c1c(NC(=O)CSc2nnc(C3CC3)o2)sc2c1CCCC2 12862853 OJRUPHLOESSLHU-UHFFFAOYSA-N 436.559 2.994 0 40 IFAB Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 12910541 MDRHKKNMQWMXFN-UHFFFAOYSA-N 442.947 2.551 0 40 IFAB COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2=O)c1 13022915 JXESYUACPIHRAZ-QGZVFWFLSA-N 441.915 2.686 0 40 IFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)CN[C@@H](C)c2ccccc2)c(=O)[nH]c1=O 13096344 XWHJQMWOBHQEAL-KRWDZBQOSA-N 429.565 2.649 0 40 IFAB COc1cc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)ccc1OC(F)F 13158103 RSZHJHFYLOSQFL-AWEZNQCLSA-N 437.395 2.752 0 40 IFAB CN1C(=O)CN(c2ccc(S(=O)(=O)N(C)C)cc2OCc2ccc(Cl)cc2)C1=O 13689551 XURKHYMGBBFMFP-UHFFFAOYSA-N 437.905 2.568 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 15140115 AIBFJPJJKKTPLF-UHFFFAOYSA-N 441.597 3.000 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccccc2)CC1 16959416 FMBLFQKXJAIPQU-UHFFFAOYSA-N 441.597 2.748 0 40 IFAB C[C@H]1CN(c2nccc(CN3CCC(c4nc(-c5cccnc5)n[nH]4)CC3)n2)C[C@H](C)O1 19497687 LOOUJUZVQXJWHC-IRXDYDNUSA-N 434.548 2.650 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)[nH]n2)C1 19707738 RRQAIUIYVCFDDQ-ZDUSSCGKSA-N 447.542 2.614 0 40 IFAB CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2cn3cccnc3n2)C1 19739216 LFHWBBIGLLWNSK-QHCPKHFHSA-N 436.516 2.586 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)n1 19762298 VOWMRSPGNLFCKR-HXUWFJFHSA-N 437.500 2.597 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CCn4ccnc4C)C3)nc2C)cc1 19766148 UVGZOBDYDJNSDV-SFHVURJKSA-N 448.527 2.957 0 40 IFAB O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 19817561 LGMMLZHDHGLVGR-YJBOKZPZSA-N 434.452 2.861 0 40 IFAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)s1 20442705 OKNOHIOHVVEHKT-UHFFFAOYSA-N 449.552 2.701 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20460719 XBUDILGXZOMOGW-IBGZPJMESA-N 432.498 2.809 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20493820 GVADJQNEJNNDOZ-NRFANRHFSA-N 430.570 2.986 0 40 IFAB CCOc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Cl)c1OCC(N)=O 22110975 FYODQBRSKQDAGV-UHFFFAOYSA-N 434.909 2.663 0 40 IFAB Fc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928902 XTFUKGXPAQVARO-GOTSBHOMSA-N 436.535 2.898 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 23873207 VKWIXHOUUWPTRA-FQEVSTJZSA-N 437.569 2.685 0 40 IFAB C[C@@H]1CN(CCCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)C[C@@H](C)O1 24833921 WUHSYHAIJUXOGS-QZTJIDSGSA-N 435.524 2.712 0 40 IFAB COc1ccc(N2C(=O)/C(=C\N[C@H]3CN4CCC3CC4)c3ccccc3C2=O)cc1OC 25778084 DZWNLQYEXVUWMB-URBQWANRSA-N 433.508 2.916 0 40 IFAB Cc1cc(NC(=O)[C@H](Sc2nnc(C3CC3)n2CCC(N)=O)c2ccccc2)no1 28910401 DZHIKXDHYVQSGP-QGZVFWFLSA-N 426.502 2.799 0 40 IFAB CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)c3cccnc3)C=C2C)CC1 30879860 FIKRJTQMTRAVLO-VABKMULXSA-N 440.588 2.747 0 40 IFAB biogenic,in-vitro COc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 32736710 FLJFUHOPKKKNAG-AWEZNQCLSA-N 443.481 2.681 0 40 IFAB COc1cc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccc1OC(C)C 32741404 XTZSWYABFFBLIR-SFHVURJKSA-N 449.573 2.928 0 40 IFAB COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)CCn1cnc2ccccc2c1=O 32902964 VCMQKFGESMTOMV-UHFFFAOYSA-N 447.394 2.822 0 40 IFAB CCOc1ccc([C@H](c2nnnn2CCOC)N2CCN(c3ccc(F)cc3)CC2)cc1 35289940 KXCYZKBLCZRBEL-JOCHJYFZSA-N 440.523 2.769 0 40 IFAB C[C@H]1CCc2c(sc(NC(=O)CN3CCN(C(=O)C4CCCCC4)CC3)c2C(N)=O)C1 35313308 JUWWOJUQUBPZQH-HNNXBMFYSA-N 446.617 2.635 0 40 IFAB CN(C)[C@@H](CNC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1)c1ccc(Cl)cc1 36358200 UCSVBEYUXMUYIG-SFHVURJKSA-N 434.945 2.873 0 40 IFAB C[C@H](Sc1nnc(CCC(N)=O)n1Cc1ccco1)C(=O)NCc1ccc(Cl)cc1 36692658 WLFQGLHFXWVWNZ-ZDUSSCGKSA-N 447.948 2.788 0 40 IFAB C[C@@H]1CN(c2ccccc2NC(=O)NCCNS(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 62580902 RVHRNLKEYXCGMR-QZTJIDSGSA-N 446.573 2.541 0 40 IFAB CCS(=O)(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)C2 72371836 JNVUVNMZTIBBSA-GOSISDBHSA-N 432.521 2.890 0 40 IFAB COCCN1CCN(C(=O)C2(Cc3cc(-c4cccc(C)c4)no3)CCOCC2)CC1 72394541 WGAUSDWLBLBYIN-UHFFFAOYSA-N 427.545 2.780 0 40 IFAB COc1ccc(CC(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)cc1OC 77100902 BXTBBPUXRSYYGH-UHFFFAOYSA-N 447.539 2.997 0 40 IFAB COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3CCCCC3)n1C)CC2 79191632 AYUHDJITWBONDA-UHFFFAOYSA-N 427.545 2.652 0 40 IFAB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3nc4c(F)cccc4s3)C2)cc1 90593929 VLSFLCAJZKIYQL-UHFFFAOYSA-N 435.502 2.589 0 40 IFAB COc1ccc(SCC2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1 90608273 HCJMVALYKHCLRN-UHFFFAOYSA-N 426.604 2.698 0 40 IFAB COc1cccc(NC(=O)N2CCC3(CC2)CN(Cc2cccnc2)C[C@@]32CCNC2=O)c1 96091182 VXCKAZKUQPRRQT-RUZDIDTESA-N 449.555 2.726 0 40 IFAB Cc1cccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ccccn4)C[C@@H]3C2)c1 96251487 NSSSNHBGUKKJIP-NVQXNPDNSA-N 448.567 2.608 0 40 IFAB CCC(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)Cc5ccccc5)C4)nn3c(O)c2C1 100234567 KINQUEJASPQKPQ-SFHVURJKSA-N 447.539 2.678 0 40 IFAB COc1ccccc1N1C(=O)[C@H]2NN=C(C(=O)C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 101363256 GCXHKNRHZSTLPF-GMAHTHKFSA-N 439.471 2.914 0 40 IFAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220672752 SEOKDRUMEFFCAI-HNNXBMFYSA-N 433.447 2.946 0 40 IFAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)cc1 222625653 HWBYDPCGFFVFRR-HNNXBMFYSA-N 436.505 2.907 0 40 IFAB Cc1cccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1C 224653132 CIWTUHVFALJJEA-UHFFFAOYSA-N 430.570 2.934 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 224829239 YYWFBWFFYPXRRJ-UHFFFAOYSA-N 444.601 2.845 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(O)c1CCC(=O)NC1CCCC1 257236454 HCHOCRGAHYCDSK-IBGZPJMESA-N 425.533 2.808 0 40 IFAB COc1ccc(-n2nccc2-c2nc(C(=O)NCCCn3ccnc3)c3cnccn23)cc1 306137139 QMIUADRBTZSGDA-UHFFFAOYSA-N 442.483 2.607 0 40 IFAB COc1cc(OC)c(OC)cc1CN(C(C)=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 408565068 HNUOFUHRNOOXTC-UHFFFAOYSA-N 444.484 2.800 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408606307 OTDHMEHPWPKUKK-UHFFFAOYSA-N 426.922 2.981 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408666805 SOKQLFWEJHRSKX-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COc1cc2nc(N3CCC4(CC3)C[C@H]4C(=O)N3CCCCC3)nc(N)c2cc1OC 540028063 OFNYQSURPDKPMK-INIZCTEOSA-N 425.533 2.848 0 40 IFAB C[C@@]1(O)CCN(C(=O)C2CCOCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 604383145 PUBCOEIXDTVKHU-SXWKCWPCSA-N 428.554 2.998 0 40 IFAB biogenic,in-vitro CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)c1 932206 NDIHMJQMQRBYLU-UHFFFAOYSA-N 442.501 2.759 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 2323173 HLYQIHXOSYSNMO-UHFFFAOYSA-N 431.905 2.754 0 40 IFAB O=C1NC2(CCCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccc(Br)cc1 2694538 RUAVZLOYLULTNT-UHFFFAOYSA-N 445.335 2.803 0 40 IFAB CCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 6149778 YCBSVSJLXHQVDV-QGZVFWFLSA-N 431.558 2.955 0 40 IFAB CCCCn1c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2c1ncn2CCC(C)C 7212878 OIBCSXZHPQHEKO-ZWKOTPCHSA-N 431.581 2.901 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nccn1-c1cccc(F)c1)C2=O 8725607 JUPARLLQKCPJIZ-UHFFFAOYSA-N 431.493 2.635 0 40 IFAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccc2c(c1)OCCO2 9466325 GVMNGDBYJDQWLU-GFCCVEGCSA-N 437.418 2.623 0 40 IFAB CCOc1c(Br)cc(C(=O)OCC(=O)Nc2cc(C)nn2C)cc1OC 11657169 WQIQLRKPTSRGFK-UHFFFAOYSA-N 426.267 2.694 0 40 IFAB Cc1ccc(OCC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 11913996 KZOHOCNEOYUHML-AWEZNQCLSA-N 442.331 2.945 0 40 IFAB COc1cc2cc(CNc3ccc(N4CCN(C(C)=O)CC4)cc3)c(=O)[nH]c2cc1OC 12088280 ITGBCQZDHDUDLQ-UHFFFAOYSA-N 436.512 2.826 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 12142290 RSABHVWLKVIPIM-SFHVURJKSA-N 442.545 2.720 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1-c1cccc(O)c1 12324038 ATQOCRXNJZUJHO-UHFFFAOYSA-N 433.443 2.648 0 40 IFAB COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 12480707 AGIWQJQGKPNXGU-UHFFFAOYSA-N 448.527 2.749 0 40 IFAB COc1cc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12540502 QPXVVMXPWRANLP-KRWDZBQOSA-N 438.484 2.682 0 40 IFAB N=C1c2ccccc2CN1c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 12560503 UFLXGBVJNMHXAL-UHFFFAOYSA-N 426.542 2.653 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(=O)NC3CCCCC3)[C@@H]4C2=O)c1 12645213 XICHVSHOOMAYPQ-PTGPVQHPSA-N 438.524 2.582 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 13018461 MXRPEOXKQOYRHF-QGZVFWFLSA-N 429.467 2.843 0 40 IFAB CSc1ccccc1NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 13164369 AMFGJBDYFVSTIT-HNNXBMFYSA-N 429.542 2.927 0 40 IFAB CCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc2c(c1)OCO2 14397775 YBIAQCMISIVNOQ-UHFFFAOYSA-N 441.303 2.973 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c(OC)c1 15391519 FNTXPJUVAHCFPW-UHFFFAOYSA-N 435.433 2.695 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527504 YEKLIPUZOFHKLZ-OAQYLSRUSA-N 430.508 2.600 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CN(C(=O)c2cnccn2)CCO1 19580815 YBEIQEXLFBDLAC-VWLOTQADSA-N 430.508 2.686 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)C(C)(C)OC)nc32)cc1 19744235 HHQMQPMLNFRLHU-LJQANCHMSA-N 438.528 2.971 0 40 IFAB Cc1ccc([C@H](C)C(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)cc1 19765938 VSYUSPQDYOFVJZ-SFHVURJKSA-N 436.556 2.954 0 40 IFAB CCc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2CCOC)s1 20605379 OTXLGSZSEOVFDV-UHFFFAOYSA-N 444.542 2.669 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1 20761862 YZMSVZYLPDOGCC-RBBKRZOGSA-N 434.496 2.860 0 40 IFAB biogenic CCCn1nnnc1NCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 22111416 CRSSLPMJZPRHQH-UHFFFAOYSA-N 435.492 2.567 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1OC 22246611 PMYOEMFKLLYNEB-LJQANCHMSA-N 432.542 2.606 0 40 IFAB CCC(CC)[C@H](CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCOCC1 22898718 GBUUHRBHCGVYAV-MBDNFAEBSA-N 447.620 2.606 0 40 IFAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 23994647 CIPDYEXPKDZSJK-VWLOTQADSA-N 434.540 2.641 0 40 IFAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 25008885 UTUGLQNQWBKQIG-UHFFFAOYSA-N 436.480 2.745 0 40 IFAB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 30126604 ZVZZEEZVNRLDHR-UHFFFAOYSA-N 432.406 2.519 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)CC2 32779744 KVYZLTGQOMEOOY-NRFANRHFSA-N 425.529 2.845 0 40 IFAB COC(=O)C1(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CCCCC1 32900521 GZOKHACHFHEPRT-IRXDYDNUSA-N 436.574 2.959 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)c(OCC#N)c(OC)c1 33403890 PLHIVHTYMFQAEM-AWEZNQCLSA-N 440.319 2.716 0 40 IFAB COc1cc2cc(C(=O)N[C@@H](C(=O)Nc3ccccn3)C(C)C)[nH]c2c(OC)c1OC 36580006 CMYKNMFTLZGZFJ-QGZVFWFLSA-N 426.473 2.982 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 39973585 SOXSHQWSPLYFAN-LJQANCHMSA-N 446.891 2.637 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 57464088 DIWBIBLNZXIFIW-REGYPHIPSA-N 434.279 2.893 0 40 IFAB C[C@H]1CN(C(=O)C2CCN(C(=O)/C=C/c3cc(Cl)c4c(c3)OCO4)CC2)C[C@H](C)O1 58391692 YUPDJHXWGXEDOX-WCYDHSITSA-N 434.920 2.956 0 40 IFAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)NCc4nc5ccccc5[nH]4)C3)nn2)n1 62164333 XWHZEGQEDYYDCS-KRWDZBQOSA-N 430.516 2.688 0 40 IFAB C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H]2CCCC[C@H]12 65497143 IOGWZIOWWQYFPJ-BHIYHBOVSA-N 436.574 2.944 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)NCCCc4ccccc4)c(=O)n3c(C)n2)cc1 67226582 XMDXXJHDMOOXIH-UHFFFAOYSA-N 431.496 2.624 0 40 IFAB CS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCN(C(=O)Cc2ccsc2)CC1 72335846 OJIPIZRDFOJOTC-UHFFFAOYSA-N 442.566 2.952 0 40 IFAB COc1cc(C(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)nc(OC)n1 72344969 AAISZTIEBVXUNA-UHFFFAOYSA-N 430.468 2.886 0 40 IFAB COc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 72350349 UQGLFXQQOZQSMO-UHFFFAOYSA-N 426.542 2.983 0 40 IFAB COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(OC)cc1)C(=O)C2 72371864 YZCNOBIIRUGWNW-FQEVSTJZSA-N 438.528 2.973 0 40 IFAB CCOc1ncccc1CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 95406702 FURLKYHLSQEFLY-UHFFFAOYSA-N 441.509 2.594 0 40 IFAB CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@@H]1OC 95941975 ZNELTWSJFPPVIB-WDMOLILDSA-N 428.732 2.582 0 40 IFAB CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1nc2ccccc2s1 96311032 QOAUZQDNNVHMAV-UHFFFAOYSA-N 438.553 2.801 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@H]3[C@H]4CO[C@@H](O4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1OC 106092939 IPPSBXJDMFQYLG-VZDWFCQISA-N 433.460 2.853 0 40 IFAB biogenic,in-vitro C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 106109147 AWNMUQQXYNGWOW-OXQOHEQNSA-N 431.920 2.679 0 40 IFAB Cc1cccc(N(CCCC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 219624056 OPGRGNSHDCYSDN-UHFFFAOYSA-N 434.543 2.969 0 40 IFAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc(S(C)(=O)=O)cc1 222485782 INUOUTRICQFYTK-GOSISDBHSA-N 438.571 2.675 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1CCN1CCOCC1 223155780 LOKXHRISPGSPFU-DHIUTWEWSA-N 448.596 2.631 0 40 IFAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1N1CCCC1=O 225342084 WONVSJYTYAWDTR-INIZCTEOSA-N 445.541 2.924 0 40 IFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2)n1 226089708 FILQVRJSLZEZJA-UHFFFAOYSA-N 438.509 2.710 0 40 IFAB CC(C)CC(=O)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306137971 RLJYASFDSYIFLP-JOCHJYFZSA-N 429.542 2.682 0 40 IFAB CS(=O)(=O)c1ccc(OCCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 537484230 INBIHKSTAVESPG-HXUWFJFHSA-N 444.509 2.543 0 40 IFAB Cc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)N2C 575612506 MSVOURQUZORGSR-CQSZACIVSA-N 438.550 2.711 0 40 IFAB COC[C@H]1CC2(CCN(C(=O)c3ccc(F)c(Cl)c3F)CC2)CN1S(C)(=O)=O 585104046 ZONJTLIVZBJOHA-GFCCVEGCSA-N 436.908 2.521 0 40 IFAB OC1(COc2ccccc2F)CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1 585281886 SAPFPDCFWLXUNU-UHFFFAOYSA-N 444.547 2.943 0 40 IFAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCN3CCCC3)ccc21 643584772 SANXRMXFMXAPJA-UHFFFAOYSA-N 430.593 2.545 0 40 IFAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 898258 BOYUYRPYXFHCDE-UHFFFAOYSA-N 428.470 2.855 0 40 IFAB COc1cccc(NC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)c1 2149817 IWFLRMVAYVMQBI-JLHGSKIFSA-N 438.528 2.649 0 40 IFAB biogenic C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCc2ccccc21 3392837 UUWSGUGOTBIMHL-MRXNPFEDSA-N 428.510 2.606 0 40 IFAB C[C@@]1(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)NC(=O)NC1=O 8778398 VEAOUOMSCGHJAS-NRFANRHFSA-N 427.482 2.790 0 40 IFAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnc(-c4ccncc4)n3C3CC3)oc(C)c12 8882821 LBQLFQDEVIDYJF-UHFFFAOYSA-N 437.485 2.852 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)c2cccc(F)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 9797245 LDHBYOLXMGAXJQ-UHFFFAOYSA-N 434.427 2.746 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3nc(C)cc3C)CC2)cc1 9884328 MUPOOIFCCNNNSY-UHFFFAOYSA-N 447.605 2.559 0 40 IFAB O=C(/C=C/c1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 10021847 JMXIJWWPTBQANJ-YXBWYFRISA-N 435.505 2.820 0 40 IFAB CSc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 10895170 KLBMQHIPEKUFLH-KRWDZBQOSA-N 434.539 2.972 0 40 IFAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1cnc2ccccc2c1=O 12185559 VXHGIHMTBRIJAU-IBGZPJMESA-N 449.536 2.523 0 40 IFAB COC(=O)c1[nH]c2cccc(OC)c2c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 12428070 RQXKJJJWUUKQDJ-UHFFFAOYSA-N 447.494 2.677 0 40 IFAB CCOC(=O)C1CCN(S(=O)(=O)CCCOc2cccc3c2OC(C)(C)C3)CC1 12440566 UDIPQZOFCPEGNT-UHFFFAOYSA-N 425.547 2.774 0 40 IFAB CNc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)s1 12764268 KUWFTNITGUTNFB-QMMMGPOBSA-N 435.984 2.603 0 40 IFAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 12860157 KZVZUHSHNCOIQI-HNNXBMFYSA-N 448.516 2.875 0 40 IFAB CS(=O)(=O)N1CCCc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc21 12972225 FJJADODYZDRGEW-UHFFFAOYSA-N 431.539 2.974 0 40 IFAB COc1ccc([C@@H]2c3c(O)n[nH]c3C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1OC 13494558 QDGMPZMXICCCNO-IZIIKQMZSA-N 438.480 2.931 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCOC(C)C)C1 13566398 HSRSUHDVEXADEW-OAHLLOKOSA-N 432.970 2.681 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC 13677611 DDBRGLWVRRZPCY-UHFFFAOYSA-N 445.541 2.918 0 40 IFAB COc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 13960224 HMFVNIBUVSOZIM-RDGPPVDQSA-N 447.896 2.848 0 40 IFAB COc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 14232251 HBIQVVKWAOIOOR-MRXNPFEDSA-N 436.555 2.755 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14868279 NNSQYILSTWWHMH-UHFFFAOYSA-N 445.585 2.614 0 40 IFAB O=C(NCCSc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15028474 QQOOTQRVFLAFBK-UHFFFAOYSA-N 440.974 2.883 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(NC(C)=O)c1 16321523 SOGWKKRUPBOUIN-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 16867380 GVGKQRAWLVOGHK-KRWDZBQOSA-N 449.507 2.764 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1ccccc1F)NCc1ccccc1 17179211 MWVYSULDDISZCR-UHFFFAOYSA-N 428.489 2.562 0 40 IFAB O=C(c1ccccc1)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19368763 VLSJGDBTBOWMMA-OAQYLSRUSA-N 432.528 2.910 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19553423 WILLQERCGGMVNI-YADHBBJMSA-N 426.565 2.510 0 40 IFAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@H]2CCCN2C(=O)COc2ccccc2)C1 19707224 UITBKUKMKSGSHY-KRWDZBQOSA-N 427.505 2.771 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)C1 20454159 DWVNPWKJMXGDMJ-LJQANCHMSA-N 449.548 2.539 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 20768702 KGJXMMVJRZIQRM-UHFFFAOYSA-N 426.560 2.547 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2cccs2)CC1 22226007 SZQXUAUPWJSLAV-INIZCTEOSA-N 439.628 2.555 0 40 IFAB Cc1cc(C)c(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c(C)c1 22388273 BGRVZSJVBXYGIG-UHFFFAOYSA-N 429.586 2.722 0 40 IFAB COc1ccc2c(COC(=O)[C@H](NS(=O)(=O)c3ccccc3)C(C)C)cc(=O)oc2c1 24762414 GQXQMSFUUAKRSG-OAQYLSRUSA-N 445.493 2.848 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 24976772 HJMGUFMIILPZQZ-CQSZACIVSA-N 430.555 2.968 0 40 IFAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 25356435 FTLAQNHFLQRAQN-UHFFFAOYSA-N 449.477 2.698 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(Cl)c4c(c3)OCO4)CC2)cc1 25779335 SYFXWDWKGMXDRX-UHFFFAOYSA-N 436.917 2.914 0 40 IFAB COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1 26603157 GLGABHOSIVLJLP-QGZVFWFLSA-N 442.343 2.808 0 40 IFAB O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 29899770 PFYKZDYVEXTBNT-ZDUSSCGKSA-N 444.376 2.623 0 40 IFAB COc1ccc(CCn2nnnc2CN2CCN(c3cccc(Cl)c3)CC2)cc1OC 35290656 DCGLLUYXCYLLRQ-UHFFFAOYSA-N 442.951 2.909 0 40 IFAB COc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)c(OC)c1 35586477 IIMKLYZPCPBVJO-UHFFFAOYSA-N 434.499 2.809 0 40 IFAB COc1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 49406256 DSYKCNAOXMBCFP-UHFFFAOYSA-N 439.903 2.964 0 40 IFAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)s2)cc1 58735986 RNCUXBDRRULCIO-SFHVURJKSA-N 429.542 2.981 0 40 IFAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCN(C(=O)N(CC)CC)C1 78947410 GNHSWJLIBDRYNL-LJQANCHMSA-N 445.608 2.949 0 40 IFAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 84535864 ALVCIIDTNGGTRL-IEBWSBKVSA-N 426.542 2.730 0 40 IFAB CC(C)CN1CC2(CCN(C(=O)c3cccn3C)CC2)COc2ccccc2S1(=O)=O 96145151 ILVMMAAJXXKDEO-UHFFFAOYSA-N 445.585 2.987 0 40 IFAB CCCNC(=O)Cn1c(=O)/c(=C/c2ccc(C(C)C)cc2)s/c1=C/C(=O)C(C)(C)C 97993957 AQBYLIXNCSCNLZ-JWZHWXDPSA-N 428.598 2.784 0 40 IFAB CC(C)(C)SCCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965857 LADVWUVULGIWSS-UHFFFAOYSA-N 430.592 2.652 0 40 IFAB COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)CC(C)(C)O2 225278294 CVUAYGSFWQRVOF-ZDUSSCGKSA-N 440.547 2.722 0 40 IFAB COCCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)C1 257303284 SGOXJFFKAKJZDQ-KRWDZBQOSA-N 426.492 2.756 0 40 IFAB Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCOCC3)C2)on1 257321456 WBTAUNWDACOJIP-LPHOPBHVSA-N 447.919 2.795 0 40 IFAB Cc1ccc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1C 260888447 ASWVEDGHARUQRY-IBGZPJMESA-N 432.542 2.806 0 40 IFAB O=C(NCCN1CCOCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408626952 YNBGEAIGGDXJTO-XMMPIXPASA-N 439.581 2.565 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408659930 KIBCVLOZIGGZQO-YDOWWZDFSA-N 438.402 2.608 0 40 IFAB CCS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 408706102 VGXGZJHQBYLYBU-UHFFFAOYSA-N 434.558 2.699 0 40 IFAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N1 409040305 SZAPIFXRJIQJPE-JCAJYURWSA-N 448.500 2.527 0 40 IFAB O=C(C1CC(O)C1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 585106364 FEBBSDSWZGYBNF-UHFFFAOYSA-N 436.556 2.627 0 40 IFAB CCCC(CCC)N1CCN(C(=O)COC)C[C@](O)(COc2cc(F)cc(F)c2)C1 585283565 RXZJBXIHVVJJAC-QFIPXVFZSA-N 428.520 2.834 0 40 IFAB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(C)=O)CC2=O 958317749 JSZJSALBWDSHMQ-SFTDATJTSA-N 441.572 2.707 0 40 IFAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(COc4ccc(Cl)cc4)nn23)C1 1501040265 KAIKPDDCXASBRQ-LLVKDONJSA-N 427.939 2.557 0 40 IFAB CN(C)c1cc(N(C2CC2)C2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)ncn1 1775975275 FKFFXQQEIPMJMS-UHFFFAOYSA-N 437.516 2.643 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@@H]2C1 1888918129 DAVKUSDAGGMONV-HDICACEKSA-N 442.589 2.724 0 40 IFAB COc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 6134746 KAFRGVOKEUFGNS-UHFFFAOYSA-N 433.530 2.621 0 40 IFAB NS(=O)(=O)c1ccc(CCNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 8583079 VZLTUUMLBFGJCQ-UHFFFAOYSA-N 428.905 2.771 0 40 IFAB O=C1C(=O)N(Cc2nnc(-c3ccccc3Br)o2)C(=O)N1Cc1ccco1 8985563 WPFUXOBMGAYOIE-UHFFFAOYSA-N 431.202 2.583 0 40 IFAB O=C(c1cccnc1Cl)N(CCS(=O)(=O)N1CCCCCC1)Cc1ccncc1 9305999 DFOLWTXFZDEICX-UHFFFAOYSA-N 436.965 2.978 0 40 IFAB O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)NC1CCCC1 9473491 XKYOEIICLZQVBU-UHFFFAOYSA-N 427.482 2.917 0 40 IFAB Cc1oc2cc(O[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 9666036 BMKTXQDWQOBCMN-NVXWUHKLSA-N 441.505 2.839 0 40 IFAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 9714448 BOWMJMCBVQBGGZ-UHFFFAOYSA-N 443.481 2.948 0 40 IFAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 9789609 NZAHSRUYTUXLPR-UHFFFAOYSA-N 441.509 2.777 0 40 IFAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 9797835 VVMAQNLSTRIKHM-CQSZACIVSA-N 447.509 2.963 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O 9844657 HYBFXERHWMSIEG-UHFFFAOYSA-N 433.917 2.859 0 40 IFAB Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)c(C)n23)n(C)c1=O 10233681 IRWPYHPWMCRXOG-UHFFFAOYSA-N 429.480 2.818 0 40 IFAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(S[C@@H]3CCCCNC3=O)nnc12 12527071 IJWWZHOFLDISSR-LJQANCHMSA-N 449.536 2.862 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c2ccccc2O1 12585906 HCVXIOHTWVWZCA-APWZRJJASA-N 436.493 2.772 0 40 IFAB COc1cc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 12682813 SCKHUZDFAANDHD-DMZKTXOQSA-N 433.505 2.788 0 40 IFAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 12751324 MHMBGBJCEIONDF-UHFFFAOYSA-N 432.927 2.694 0 40 IFAB O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 12766480 ZGFZFFUTMSHECL-UHFFFAOYSA-N 437.359 2.891 0 40 IFAB CC[C@@]1(c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)CCC(=O)NC1=O 13683402 SATIDKZYQOKVDB-VWLOTQADSA-N 446.507 2.550 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc4c(c3)OCO4)c2c1 14108727 MEAQJQZQBZJJLA-UHFFFAOYSA-N 443.481 2.540 0 40 IFAB CC(=O)N1CCN(C(=O)CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)CC1 14121952 MHZJASHMNBQGSM-NRFANRHFSA-N 431.583 2.755 0 40 IFAB CCOC(=O)c1c(SCC(=O)Nc2ccc(Br)cc2)nc(=O)[nH]c1C 15883384 YHGJOXCSZQVJAZ-UHFFFAOYSA-N 426.292 2.748 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)N(C)Cc2cc(Br)ccc2OC)C1=O 16045932 SDOOXHHVUHCBQY-UHFFFAOYSA-N 426.311 2.527 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1 16643867 NLYMVHYBLONTCA-UHFFFAOYSA-N 431.514 2.693 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1 16845399 KRDIQQFRXJDAGH-UHFFFAOYSA-N 429.502 2.597 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)s1 19217018 NESGWSKUKCQGBG-SFHVURJKSA-N 449.536 2.711 0 40 IFAB Cc1nc(C)n(CCNC(=O)C2(C[C@H]3CC(c4ccc(F)cc4)=NO3)CCOCC2)n1 19286027 LJHAAAMFKVVQKT-LJQANCHMSA-N 429.496 2.530 0 40 IFAB Clc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCOCC3)[C@@H]2N2CCOCC2)cc1 19327836 FLJXMLYQHFFFEJ-XZOQPEGZSA-N 426.948 2.923 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccc5c(c4)CCCO5)C3)[nH]c(=O)c2C1 19345762 VZIUIICUSXVTQK-FQEVSTJZSA-N 448.567 2.769 0 40 IFAB NC(=O)c1[nH]c(C2CCN(C(=O)COC[C@H]3CCCCO3)CC2)nc1-c1ccc(F)cc1 19697021 RBLGLEPJQXDQDI-GOSISDBHSA-N 444.507 2.606 0 40 IFAB COc1ccc(CN2CCC[C@H](N3C(=O)C4(CCN(CC(C)C)CC4)N=C3O)C2)cc1 19699761 UDEBDODHKIRRGI-FQEVSTJZSA-N 428.577 2.906 0 40 IFAB O=C(Cn1cccnc1=O)N1CC[C@@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 19704611 ZABUNTZGEXKHIF-CQSZACIVSA-N 447.417 2.580 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)c1 19744001 GPLQUCUURHNOQO-HXUWFJFHSA-N 430.574 2.650 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(CN2CCOCC2)c1 20462689 IUYWXFISHMXJEM-UHFFFAOYSA-N 443.569 2.946 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 20907634 USSXQKMTNGVCDG-UHFFFAOYSA-N 444.944 2.981 0 40 IFAB CCOc1cc(CNn2nnnc2N)cc(Br)c1OCc1ccccc1F 22111732 MLRQJGPVMPDGDL-UHFFFAOYSA-N 437.273 2.878 0 40 IFAB CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 23043241 BUAHSZUAQUYPEJ-SFHVURJKSA-N 436.443 2.754 0 40 IFAB NC(=O)c1ccccc1NC(=O)Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1 23138325 YXQIKDSVROIJTE-UHFFFAOYSA-N 428.901 2.996 0 40 IFAB CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cs1 23866182 MALCYRZFNGMXKB-UHFFFAOYSA-N 436.603 2.842 0 40 IFAB COc1ccc(CN2CCN(CC(=O)N3CCN(c4cccc(C)c4)CC3)CC2)cc1F 24758591 VMKOUMYGXJMDCI-UHFFFAOYSA-N 440.563 2.609 0 40 IFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 28813694 OXNGLYGYVIYTMK-UHFFFAOYSA-N 427.482 2.810 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2ccc(OC)cc2)CC1 32962617 KUNZJYLAAUJKAJ-UHFFFAOYSA-N 447.509 2.626 0 40 IFAB CSc1nnnn1-c1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 58077530 NHAJBLJFEOSUDL-UHFFFAOYSA-N 437.529 2.811 0 40 IFAB COc1ccc([C@H](CN2CCN(C)CC2)NC(=O)Nc2cc(OC)ccc2OC)cc1 58297944 UNEKBJMSFMJSAV-NRFANRHFSA-N 428.533 2.823 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N[C@@H](C)c4cccc(OC)c4)c(=O)n3c(C)n2)cc1 67319438 SDOKKEIFTHKDTP-HNNXBMFYSA-N 447.495 2.761 0 40 IFAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)c2C)cc1F 67322488 NABDANDMNPFNHR-UHFFFAOYSA-N 425.420 2.696 0 40 IFAB O=C(Cn1cc(-c2nc(C3CC3)no2)ccc1=O)NCc1ccccc1Br 77200442 BIBQTSNSJFZDIG-UHFFFAOYSA-N 429.274 2.855 0 40 IFAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O 78877557 VUOOHZJIBBIEAB-WMZOPIPTSA-N 428.533 2.986 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1 79020464 XCODDICSDTZMPE-SFHVURJKSA-N 432.565 2.608 0 40 IFAB CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 79096908 QVHADFREIULRHE-ZWKOTPCHSA-N 433.553 2.964 0 40 IFAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)C[S@@](=O)Cc2ccc(Br)cc2)C1 95435219 UOTIAQRGCTWGER-AKJBCIBTSA-N 443.407 2.709 0 40 IFAB CC(C)[C@H](C(=O)NCCc1ccc(OCCN2C[C@H](C)[C@@H](C)C2)cc1)N1CCCC1=O 95460265 GMDLLBWOFMZYRL-MZLICYQSSA-N 429.605 2.959 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)s1 96099634 VVGPGJGTVUVRNG-UHFFFAOYSA-N 429.585 2.946 0 40 IFAB O=C(c1ccccc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(Cl)c1)S3(=O)=O)O2 96145978 HPHWQTBFNIZLOK-DYXWJJEUSA-N 432.929 2.538 0 40 IFAB CC(=O)[C@@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 101104222 UCASHEFULBEDKL-INDMIFKZSA-N 438.281 2.917 0 40 IFAB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(=O)OCC)C3)C2=O)cc1 101982812 FCYOHSVNGFHIEL-HKUYNNGSSA-N 430.501 2.551 0 40 IFAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1 102454302 IRMUKTVOJHDYFJ-JYAXBFRTSA-N 434.565 2.739 0 40 IFAB Cc1c(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(=O)oc2c(C)c(O)ccc12 208177866 CXOCPHOCIPYECK-DLBZAZTESA-N 434.492 2.856 0 40 IFAB COC(=O)c1ccccc1NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220040220 POOBAAAPKBZEOX-UHFFFAOYSA-N 430.404 2.897 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)c1C 220179593 KILGCJPZQSNZPK-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)n2)c1 222466431 YNIGUQNVMQSPRP-UHFFFAOYSA-N 444.513 2.722 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)NCCOc1cccc3ccccc13)CN2S(C)(=O)=O 223553232 ZNKYBAKNFUFHKZ-QFIPXVFZSA-N 440.521 2.870 0 40 IFAB COc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224397872 VLLHBQYWMYPZQW-UHFFFAOYSA-N 432.542 2.608 0 40 IFAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CC(C)(C)CC(=O)O)C2)c2cnccc2n1 257201958 AJUOURRNXBKIHW-QHCPKHFHSA-N 428.533 2.619 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2ccnn2C(C)C)CC1 257239588 HPZYOUSEPDNVAF-ODGPQVTHSA-N 426.561 2.914 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 408662024 PDQMLVUZOFBQEJ-WOJBJXKFSA-N 434.448 2.946 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)c1)[C@@H]1Cc2ccccc2O1 507903249 PWHOOCXWPJGURK-LPHOPBHVSA-N 434.452 2.737 0 40 IFAB C[C@H](c1ccccc1)N1C[C@@]2(COCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CC1=O 585103229 ACLHURMQRXUDSG-NTKDMRAZSA-N 442.581 2.902 0 40 IFAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)Cn2ccc3ccccc32)CCO1 585287587 ZFEWMCJJZZXAOE-QHCPKHFHSA-N 441.915 2.847 0 40 IFAB O=C(CCCn1nnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 604405324 RDLVOEUEQQBGGJ-IWVMGURDSA-N 447.583 2.993 0 40 IFAB COCCC(=O)N1CCCN(C2CCOCC2)CCCN(C(C)=O)c2ccccc2C1 643580322 UYJFMILMRNWZJS-UHFFFAOYSA-N 431.577 2.679 0 40 IFAB C[C@](NC/C=C/CN[C@@](C)(C(N)=O)c1cccc(Cl)c1)(C(N)=O)c1cccc(Cl)c1 674250313 MCHWYJWNLAZXJX-NLDFZSAUSA-N 449.382 2.830 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)n1 1549162678 UUSGLAWRURXMCX-GOSISDBHSA-N 440.479 2.632 0 40 IFAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccc(Oc4ncccn4)c3)CCN2C)c1 1848352733 HLHRXKBQBJTUJE-OAQYLSRUSA-N 431.496 2.757 0 40 IFAB O=S(=O)(CCc1ccccc1)N1C[C@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1 2298235439 MLZIDEXWDWYQDQ-IAGOWNOFSA-N 436.375 2.785 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 785599 QZNNBYHUTYLDFQ-UHFFFAOYSA-N 437.345 2.561 0 40 IFAB CCOc1ccc2nc(NC(=N)NS(=O)(=O)c3ccc(NC(C)=O)cc3)nc(C)c2c1 2291350 NOLPDHMMZTVWKR-UHFFFAOYSA-N 442.501 2.620 0 40 IFAB CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 4897677 UNPSUWBGBAYNQY-QFIPXVFZSA-N 425.504 2.602 0 40 IFAB COc1ccccc1-c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@H]23)n1 5433951 JXYVQSOXLWMEHP-SEIRJHJZSA-N 432.480 2.529 0 40 IFAB biogenic,in-vitro CCCCNC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6149732 OMWOPBMSUSDMEV-UHFFFAOYSA-N 432.590 2.728 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8816424 MOJUMCOOHLENIM-OAHLLOKOSA-N 433.505 2.848 0 40 IFAB CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21)C(=O)O 8994316 MYOGPWORSRCWFR-PXNSSMCTSA-N 438.484 2.641 0 40 IFAB biogenic C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccco3)c2)C[C@@H](C)O1 9125729 ZPRIMQCHBBWGQF-HZPDHXFCSA-N 438.571 2.741 0 40 IFAB O=c1cc(Cc2nnc(SCc3ccccc3F)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 9382062 AQURCGBDHZCPCH-UHFFFAOYSA-N 427.436 2.805 0 40 IFAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccccc2)s1 9405079 JQSRTLWQJFOBOO-CQSZACIVSA-N 432.527 2.765 0 40 IFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9495218 PWIWTZJLDJNVPA-XMMPIXPASA-N 435.480 2.547 0 40 IFAB Cc1cccc2nc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)cc(=O)n12 9499333 JDDPHMVSJKYSIC-UHFFFAOYSA-N 448.552 2.772 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C1 9692313 BCOAXJXRPNPEAS-GJZGRUSLSA-N 429.952 2.613 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(-c2nnc3n2CCCCC3)c1 9751815 UDNYOFOAFSQIMT-UHFFFAOYSA-N 433.468 2.769 0 40 IFAB COc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)cc1OC 9828804 QVWKECOJAWNCAX-UHFFFAOYSA-N 437.500 2.581 0 40 IFAB Cc1nn(CC(=O)Nc2cc(F)cc(F)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 10926244 ORCKTNHZHHHLCA-UHFFFAOYSA-N 426.489 2.837 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4cc(OC)cc(OC)c4)nn23)cc1 11693889 GDBKMCHLHCDFLX-UHFFFAOYSA-N 449.467 2.626 0 40 IFAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 11834785 QLKKGIJORADTNE-MWDXBVQZSA-N 432.517 2.778 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)CCN3C(=O)c4ccccc4C3=O)n2)o1 12051885 YSXLMQYHPIMIKE-UHFFFAOYSA-N 438.465 2.664 0 40 IFAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 12085478 JHGIFOQVFDUDTF-XMMPIXPASA-N 437.544 2.665 0 40 IFAB O=C(Cn1nc2n(c1=O)-c1cc(Cl)ccc1C1=NCCN12)Nc1ccccc1Cl 12184215 IBLWEENKVZBDCT-UHFFFAOYSA-N 429.267 2.560 0 40 IFAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccccc2Cl)CC1 12850327 FPUZAUXKRPOZBA-HNNXBMFYSA-N 429.904 2.531 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(F)c2)cc1S(=O)(=O)N1CCOCC1 13137131 LWHAUHMLZPPPNS-VMPITWQZSA-N 434.489 2.816 0 40 IFAB Cc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1ccc(Br)cc1 13639242 OKCWZVDVQQBCDZ-UHFFFAOYSA-N 429.322 2.558 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 13671460 ZBFSWQUKEDYJSE-UHFFFAOYSA-N 446.525 2.753 0 40 IFAB Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)c1 13700658 IGCUGZCDPOULCC-UHFFFAOYSA-N 432.484 2.729 0 40 IFAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15719829 NQYPOJWIQVYFTO-UHFFFAOYSA-N 448.907 2.812 0 40 IFAB COc1ccc(NC(=O)CSc2nnc3nc(O)c(Cc4ccc(C)cc4)nn23)cc1 15882060 FTDOKQQSXCQAHX-UHFFFAOYSA-N 436.497 2.864 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3C[C@@H](C)O[C@H](C)C3)CC1)N2 19128678 LKHLAJQRVURXDO-XYVMCAHJSA-N 425.524 2.530 0 40 IFAB CC1CCN(C(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccc(Cl)cc4)c32)CC1 19496720 MZKPGGXIJFWTIG-UHFFFAOYSA-N 426.908 2.786 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 19697523 IAXKCGUTXVSZJS-HNNXBMFYSA-N 448.570 2.705 0 40 IFAB CCn1cc(CN2CCO[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19703058 UVFLTLSKDRQIQX-SFHVURJKSA-N 441.557 2.559 0 40 IFAB Cn1cc(C(=O)N2CC[C@H](c3ccc4c(NCCc5ccccc5)n[nH]c4n3)C2)ccc1=O 19705153 OYPIXLUAHKBAKT-SFHVURJKSA-N 442.523 2.941 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc(C)sc4c3)CC2)cc1 20427074 YOUVRAVTZUHHQU-UHFFFAOYSA-N 431.539 2.760 0 40 IFAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCOCC2)nc1 21589524 VNVINHUGIQUYQB-UHFFFAOYSA-N 426.561 2.970 0 40 IFAB CCCn1c(COC(=O)c2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 21946021 KGNOWPFNSAWFIS-UHFFFAOYSA-N 445.497 2.782 0 40 IFAB O=C(COc1ccccc1)NCCNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 26000436 UDECAUWIXYIJOT-UHFFFAOYSA-N 443.301 2.764 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C(=O)NC(C)C 26112402 XZEORALSWULEKR-UHFFFAOYSA-N 445.585 2.961 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 32910543 OAVCLHIFXZTJSQ-AAYUJCDTSA-N 441.528 2.848 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cccc4)cc3)CC2)cc1 40074808 OAIXWXVVTOKISG-UHFFFAOYSA-N 439.537 2.562 0 40 IFAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 40143532 SDEZFFJQZSEOHS-UHFFFAOYSA-N 427.480 2.703 0 40 IFAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 40143534 XVQKIKLNHNCPFC-UHFFFAOYSA-N 427.480 2.703 0 40 IFAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCC(O)(c2ccc(Cl)cc2)CC1 40284825 VQEVXRLHLLNULG-UHFFFAOYSA-N 429.933 2.990 0 40 IFAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)C1 57354557 BEYCBRXCHLJIKZ-FQEVSTJZSA-N 435.524 2.873 0 40 IFAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 58054881 OLVZNJZXTVTYBV-CYBMUJFWSA-N 434.403 2.749 0 40 IFAB O=C(NCCS(=O)(=O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 65530571 WYTYXMSBSVKHMH-UHFFFAOYSA-N 439.537 2.717 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)cc1 67208900 HUIAUENMVJEUDU-UHFFFAOYSA-N 431.452 2.530 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)C1CCOCC1)CC2 72277416 GRCSLEQFBRVRPQ-QFIPXVFZSA-N 444.553 2.782 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@H]2CCCO2)CCO1 72389188 UERCIKNBCTVYGK-RCZVLFRGSA-N 437.540 2.592 0 40 IFAB COCCn1nnn(-c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c1=O 77100122 ABPHSFKLHALZCW-UHFFFAOYSA-N 431.880 2.525 0 40 IFAB COC[C@@](C)(CC(=O)OC)NC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 84636873 YLZIEGBLWZZVER-HSZRJFAPSA-N 427.501 2.982 0 40 IFAB Cc1c(O)ccc2c(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc(=O)oc12 89537089 FNQORSXRWJMUTH-UHFFFAOYSA-N 448.928 2.967 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 90592091 LKHOZPAWSDICBZ-MRXNPFEDSA-N 448.932 2.951 0 40 IFAB CN(CCC1CCN(c2ccncc2)CC1)CC(=O)Nc1ccccc1SCC(N)=O 95458241 LYTAEABCRPSISR-UHFFFAOYSA-N 441.601 2.836 0 40 IFAB CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 96103277 PRQOFQBYKLNCQK-LJQANCHMSA-N 427.526 2.632 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCN(c3ccc(F)cc3)CC1)C=C2 96118832 QWCXEFUYJLMTNP-UHFFFAOYSA-N 439.487 2.547 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N(C)Cc3ccccc3)C2=O)cc1OC 96220959 YMTGKQVTMQKWQP-SFHVURJKSA-N 425.485 2.563 0 40 IFAB biogenic CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102129120 BXHUUGIKQBUDNP-KDURUIRLSA-N 426.513 2.698 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2O1 103445951 WXZKFZYJZLRXEY-KXBFYZLASA-N 436.537 2.755 0 40 IFAB CC[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)N(c1ccccc1)S(C)(=O)=O 219090082 CQGIVZZSVPLMCL-SFHVURJKSA-N 428.514 2.940 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1OC 220239333 BYJUJWRSYWDUJQ-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1F 222653555 REEZUAAKRLAUKV-UHFFFAOYSA-N 433.549 2.716 0 40 IFAB Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 224297278 YTCOFNOPCTZXLW-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB C[C@H](CNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 224815958 UJKYZEJSVQDDGG-QGZVFWFLSA-N 432.542 2.924 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)c(Cl)c1 224992401 RAFHPVYFXQNKDB-UHFFFAOYSA-N 441.912 2.720 0 40 IFAB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225098767 JIQPPPKBWLJRMV-UHFFFAOYSA-N 432.267 2.965 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257270977 MWJZNEPCNQLGTJ-KRWDZBQOSA-N 428.876 2.935 0 40 IFAB O=C(C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2ccno2)C1)N1CCOCC1 257289480 PYUXSPMUMJUFOV-QFIPXVFZSA-N 447.919 2.878 0 40 IFAB O=C(CCN1CCOCC1)N1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257343569 ZTNBNQMPIBXYDY-QFIPXVFZSA-N 429.948 2.948 0 40 IFAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 408700129 BCOORSZQSXVYOR-UHFFFAOYSA-N 426.579 2.762 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1OC 409060057 RXMVYCFDUDICDJ-WAUWHALJSA-O 448.474 2.859 0 40 IFAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1=O 524641469 MTAXQRGKOWYFFD-SFHVURJKSA-N 441.959 2.917 0 40 IFAB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 909853 FHMBWJSBPNTWNK-LJQANCHMSA-N 429.498 2.850 0 40 IFAB COc1ccc(CCNC(=O)COC(=O)c2ccc(I)cc2)cc1 3255136 AIUSTSMNBJAEDT-UHFFFAOYSA-N 439.249 2.816 0 40 IFAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 3530993 FCGSQOSSCYLUJK-MRXNPFEDSA-N 442.468 2.501 0 40 IFAB COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4ccccc4)CO[C@H]23)cc1 3841740 REIDEEGRTRDDGW-WJFTUGDTSA-N 429.498 2.765 0 40 IFAB biogenic,in-vitro COc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3ncnn32)cc(OC)c1OC 6237894 PYLOPUNCJTVTKB-FQEVSTJZSA-N 435.484 2.909 0 40 IFAB COCCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc2c1=O 6904681 YSYCWIIHPCVINV-UHFFFAOYSA-N 441.509 2.950 0 40 IFAB COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@@H]2C(=O)OC(C)C)cc1OC 8441417 OKIJXRJWFMQZJO-GJPOJAMWSA-N 436.501 2.647 0 40 IFAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 9124735 RKIKVOMPQVINRE-UHFFFAOYSA-N 430.526 2.643 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 9190983 IYLJQZGXUWORLW-KRWDZBQOSA-N 447.532 2.544 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)c1C 9336971 KFHKKFFFHDWEOC-ZDUSSCGKSA-N 432.473 2.860 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1OCC(=O)N1CCOCC1 9536910 MFELGLPDXIFDHH-QGZVFWFLSA-N 430.526 2.972 0 40 IFAB COc1cccc(C(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)c1 9582751 LFVXOUJSQRXSGU-UHFFFAOYSA-N 428.489 2.910 0 40 IFAB CCOC(=O)[C@H](C(=O)COC(=O)c1cc(Br)ccc1O)c1nc(C)cs1 9588441 IDYLLLYAHJLJLD-CQSZACIVSA-N 442.287 2.992 0 40 IFAB Fc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)c1 9864151 CEYUCUZENDIYPS-UHFFFAOYSA-N 438.492 2.511 0 40 IFAB Cc1ccc(OCCOC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 9980968 GRQZBZXGQQXEAM-UHFFFAOYSA-N 428.510 2.778 0 40 IFAB Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10233504 WOSZVOMHHGUYBL-SFHVURJKSA-N 434.544 2.553 0 40 IFAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@]1(CCCN(C(=O)c3scnc3C)C1)O2 12087201 METFMAFNKYZIHY-HXUWFJFHSA-N 435.571 2.589 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)[C@@H]1CC=CCC1 12527496 HZCVPYIQEHQNGX-MSOLQXFVSA-N 449.573 2.593 0 40 IFAB Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1[C@@H]1COc2ccccc2O1 12779468 JMQHHNWDLVTSSE-SFHVURJKSA-N 438.465 2.634 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cncn2)cc1 12891534 KSZOGWGCLQGFJB-MRXNPFEDSA-N 425.514 2.543 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C3CCCCC3)n2N)n1 13133910 JCHUNGRNUFQDBU-UHFFFAOYSA-N 443.533 2.905 0 40 IFAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCN(Cc2ccccc2)CC1 13691173 CLWNDWNQJPQXRJ-UHFFFAOYSA-N 446.551 2.846 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3c(C)cc(C)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15958445 KIYSKRKTROCGKB-FXKZBUDASA-N 427.570 2.720 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccco3)N(C)C)CC2)cc1C 15988852 MKFQWMZYPLWVNI-HXUWFJFHSA-N 433.574 2.716 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)s1 16046792 BZVXPKDPICNARS-AWEZNQCLSA-N 433.515 2.602 0 40 IFAB CCOC(=O)CNC(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 16789340 FFYXNKSVSSPQQV-UHFFFAOYSA-N 440.525 2.926 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)n1 19130982 UYKHHQRNPFPDCQ-UHFFFAOYSA-N 435.406 2.821 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 19553466 DDCCHXQTCXVBKY-DHIUTWEWSA-N 434.544 2.772 0 40 IFAB COc1ccc(OCC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 19556724 MACMAWOBNWTGDD-UHFFFAOYSA-N 435.406 2.937 0 40 IFAB CCc1cc(C(=O)N2CC[C@@H](c3c(C(=O)NCCN(C)C)sc4ncccc34)C2)on1 19702434 HQOYKHCOLQBRSV-CQSZACIVSA-N 441.557 2.768 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738964 DQDPTFQNWIYSLZ-HXUWFJFHSA-N 444.539 2.520 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2Cc1ccccc1 19739755 DSMSDTJVXVOZBT-FQEVSTJZSA-N 447.539 2.550 0 40 IFAB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 19817572 ZGQSDRDEQWKIGV-VQIMIIECSA-N 448.479 2.903 0 40 IFAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 22083387 LMKMQUCEIVTUKF-UHFFFAOYSA-N 447.465 2.883 0 40 IFAB CN(C)S(=O)(=O)c1cccc(CSCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 23414702 HGIMBZNQESJQSV-UHFFFAOYSA-N 447.582 2.934 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3ccsc3)no2)C1=O 23881942 BLJVOSPFEPPOPX-OAQYLSRUSA-N 439.497 2.705 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 24029018 LSYHYXMTHYFZCO-LBPRGKRZSA-N 448.526 2.911 0 40 IFAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cccc(OC(F)(F)F)c1 24374292 SLSZUOCEWPRWSD-UHFFFAOYSA-N 430.448 2.896 0 40 IFAB O=C(c1cccs1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 25148311 ABQXSCVGUILGRA-UHFFFAOYSA-N 441.534 2.521 0 40 IFAB CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NC[C@H]5CCCO5)cnc4c3cc2CO1 32074538 GKBVDDIHZIJTGV-JLCFBVMHSA-N 442.541 2.543 0 40 IFAB CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)s1 32843972 ISMYTEITACEJOM-QGZVFWFLSA-N 438.962 2.839 0 40 IFAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1 33445885 FHPQTOCXDIHXDH-OAQYLSRUSA-N 425.916 2.992 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 33545019 OBORWEBXDBVWFO-HJHGFDQJSA-N 440.521 2.841 0 40 IFAB Cc1nc2nc3ccn(CCCN4CCOCC4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828877 KHGDQDMXMAWZOV-UHFFFAOYSA-N 438.919 2.790 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CN(C2CC2)[C@H]2CCCc3ccccc32)cc1 48326169 AHYXLHOPRKNWDN-QFIPXVFZSA-N 427.570 2.535 0 40 IFAB Cc1nc2c(c(=O)n1CC(=O)NCCCc1ccccc1)CN(Cc1ccccc1)CC2 49400815 CHDGSSMYCIOPEE-UHFFFAOYSA-N 430.552 2.859 0 40 IFAB Cc1cccn2cc(-c3ccc(NC(=O)N4CCC[C@H](NS(C)(=O)=O)C4)cc3)nc12 58157738 AGEIWEQHWAJZTC-SFHVURJKSA-N 427.530 2.855 0 40 IFAB CC(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 58354875 IYVWCOYDMNZMRZ-QGZVFWFLSA-N 431.968 2.527 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ncn2)n1 70656046 GDBPKNVXFGUEMJ-SFHVURJKSA-N 434.500 2.541 0 40 IFAB Cn1c(=O)n(C)c2cc(CN3CCC(c4cc(O)nc(-c5cccnc5)n4)CC3)ccc21 72392807 HWWDRHINSIFIJP-UHFFFAOYSA-N 430.512 2.814 0 40 IFAB O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 78964438 ZNDUTHIETMUSTK-OAQYLSRUSA-N 441.620 2.679 0 40 IFAB COc1ccccc1NC(=O)C1CCN(C(=O)c2c[nH]c(C)c(Br)c2=O)CC1 84008130 GOKSUVHNEUHPOC-UHFFFAOYSA-N 448.317 2.945 0 40 IFAB O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)c1ccc(Cl)s1 96097975 RJEDBOHEQGESSR-UHFFFAOYSA-N 434.930 2.881 0 40 IFAB CO[C@](C)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1F 96123643 JRPDZXSYIURVCT-HSZRJFAPSA-N 427.476 2.959 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N4CCCC4)CN(C)C[C@@H]32)cc1 96143853 MDLKMGUMAVFTKB-SQJMNOBHSA-N 425.573 2.882 0 40 IFAB COc1ccc(N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4Cl)CC3)C2)nn1 96231318 HETYNULRGYRKJF-SFHVURJKSA-N 429.952 2.699 0 40 IFAB Cc1nc(NCCNS(=O)(=O)c2ccc3nc(C)sc3c2)cc(-n2ccnc2C)n1 96817331 ZXXQSGWYFXZZEE-UHFFFAOYSA-N 443.558 2.588 0 40 IFAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@H]2CCCN21 104257957 JEFJLBXDTAVNAR-IZZGNVEXSA-N 431.492 2.743 0 40 IFAB C[C@@H]1[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CCC[C@H]1C 104747803 NVWPVKPZBCFCNL-MSYCTHLASA-N 447.645 2.813 0 40 IFAB Cc1cc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc(=O)n1C 217779277 XHFFETCUJJLIQF-UHFFFAOYSA-N 430.448 2.945 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219968340 JAXPAFXBSBOGPZ-UHFFFAOYSA-N 440.525 2.934 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCCN1CCCCCC1)c1ccc(F)c(F)c1 225007405 UKZMUGQDFJTVPS-UHFFFAOYSA-N 431.549 2.893 0 40 IFAB COc1cccc(N(CCCC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c1 225062993 ONGGDKGRVPFIKD-UHFFFAOYSA-N 449.554 2.794 0 40 IFAB CCOc1cccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 225185656 SAWQJDPKPSISSW-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB O=C(NCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1)c1cncc(O)c1 257342707 ZPUNPXPHBWPJGS-HXUWFJFHSA-N 438.459 2.989 0 40 IFAB COc1ccc(C2(C(=O)NCCn3cc(-c4nc(-c5cccs5)no4)nn3)CC2)cc1 390827962 MNMRDKSGQIRNOO-UHFFFAOYSA-N 436.497 2.913 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccc(OCc2ccccc2)cc1 408547772 MPOYHCBRVBVOSE-UHFFFAOYSA-N 425.510 2.743 0 40 IFAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 408647600 VIVBBEMWUJSDPX-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB Nc1nccnc1C(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643571735 SJIOILAXCNNVEX-UHFFFAOYSA-N 437.544 2.593 0 40 IFAB COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H]3COC(=O)[C@@H]32)cc2c1OCO2 1612497 TZBRMJJJXYXKGJ-FMEYXAORSA-N 428.437 2.927 0 40 IFAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2cnccn2)cc1 2435965 VOYOCBDGWCOCSF-UHFFFAOYSA-N 445.508 2.862 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 2660295 PDVSJFLFONBEFJ-GOEBONIOSA-N 427.588 2.701 0 40 IFAB Cc1ccc(F)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 3381268 FNOMJCPXAJCASC-UHFFFAOYSA-N 430.457 2.748 0 40 IFAB CCOC(=O)c1c(NC(=O)CNc2cc(OC)c(OC)cc2C)sc(C(=O)NC)c1C 9157241 XENAIKZDQSJMAU-UHFFFAOYSA-N 449.529 2.969 0 40 IFAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnc(Cc4cccs4)n3C)oc(C)c12 9252513 BUGSOFVWRHAERM-UHFFFAOYSA-N 430.515 2.645 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(N)=O)cc2)cc1 9667900 CDMAXQMCFNKRTQ-NRFANRHFSA-N 437.521 2.622 0 40 IFAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1 9744374 SYQJDHPDDSSWCY-GOSISDBHSA-N 433.505 2.514 0 40 IFAB COc1ccccc1CNC(=O)c1nnn(Cc2cc(Br)ccc2OC)c1N 9749180 XSXVQNHEZOVURZ-UHFFFAOYSA-N 446.305 2.618 0 40 IFAB Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 9868952 OYDCHPWRHLLKSA-UHFFFAOYSA-N 437.949 2.743 0 40 IFAB CC(=O)[C@@H](Cc1cccc2ccccc12)C(=O)NC(=N)N1CCN(C(=O)c2ccco2)CC1 9926585 AXHLVHUROCDFJT-OAQYLSRUSA-N 446.507 2.689 0 40 IFAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)cn23)n(C)c1=O 10271861 ZIVMRNDQELAOBZ-UHFFFAOYSA-N 435.406 2.502 0 40 IFAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 13114709 YTNBXFPQNYSKDD-UHFFFAOYSA-N 445.545 2.703 0 40 IFAB COc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCO)c(Cl)nc2c1 13576335 MSFZOZGUBGLPRC-UNOMPAQXSA-N 425.872 2.776 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 13670124 XSRXSTKORQZWFD-UHFFFAOYSA-N 426.441 2.855 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(OCC(N)=O)cc1 14190313 AHIHLRQFWJZAIB-UHFFFAOYSA-N 443.809 2.934 0 40 IFAB COc1cc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(OC)cc1Cl 14396846 KBAMJWWEWJNHMH-UHFFFAOYSA-N 442.921 2.766 0 40 IFAB O=C(OCc1nnc(-c2ccc(Br)o2)o1)c1ccc(N2CCOCC2)nc1 14803306 XQCVQKSAHBILCY-UHFFFAOYSA-N 435.234 2.681 0 40 IFAB CC(C)CCNC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1 16842515 BZERTXNIMHWDQU-UHFFFAOYSA-N 434.996 2.861 0 40 IFAB Cc1cn(CC(=O)N2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(=O)NC(C)C)C2)nn1 19238744 JCPUSIMGEDJNEZ-VWLOTQADSA-N 446.555 2.635 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)CCCc1ccc(F)cc1)C2 19701422 WEVBSRAWZHZYSG-OAQYLSRUSA-N 435.503 2.719 0 40 IFAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@H]3C)s2)c1 20486301 UADKAGNGPORILJ-GFCCVEGCSA-N 430.511 2.939 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc4ccccc4c3)CC2=O)c1 20730111 UTFBJTRQSZAUEB-FQEVSTJZSA-N 431.492 2.748 0 40 IFAB O=C(NCCNC(=O)c1ccccc1Br)c1nc(-c2ccccc2F)no1 21454020 BATRSTBHELYAOM-UHFFFAOYSA-N 433.237 2.798 0 40 IFAB C[C@@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)C[C@@H](C)O1 22767987 VKKSFYXICDLINX-ZIAGYGMSSA-N 441.919 2.749 0 40 IFAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCN(Cc2nc3ccccc3s2)CC1 22798044 NJNGIHHWTMRNDD-CYBMUJFWSA-N 429.571 2.602 0 40 IFAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1 26134182 FOVILTWZOGATSF-UHFFFAOYSA-N 446.569 2.625 0 40 IFAB COC(=O)C1(NC(=O)CCNC(=O)c2ccc(Br)cc2)CCCCCC1 29207166 AMPXRDHGEKJLFT-UHFFFAOYSA-N 425.323 2.951 0 40 IFAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cs2)cc1 31718551 FJYNPVHIXAKZMV-UHFFFAOYSA-N 437.525 2.543 0 40 IFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F 31807467 PEIQGOAIOBZYTD-QGZVFWFLSA-N 439.285 2.922 0 40 IFAB O=C1CN(S(=O)(=O)c2ccc(C(=O)N[C@H](c3cccs3)C3CCCC3)cc2)CCN1 32397903 MFYAOCRIXAWFMU-FQEVSTJZSA-N 447.582 2.530 0 40 IFAB NC(=O)CCc1nnc(SCc2ccc(Br)cc2)n1C[C@H]1CCCO1 32895038 TWFKDTQXASOGRT-CQSZACIVSA-N 425.352 2.930 0 40 IFAB CNC(=O)c1ccc(S(=O)(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 32935837 BRFNJEXNTPNPBP-OAQYLSRUSA-N 429.586 2.798 0 40 IFAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCN(CC(=O)NC4CC4)CC3)sc2n1 35310626 HLXVDUDPNCTPSP-UHFFFAOYSA-N 437.569 2.740 0 40 IFAB COc1ccc(SCC(=O)Nc2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 35590074 MZBKMKYXPTYWCO-UHFFFAOYSA-N 448.526 2.726 0 40 IFAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 40946205 IPSAKZPRSODLDB-AWEZNQCLSA-N 428.470 2.692 0 40 IFAB COc1ccc(NC(=O)c2c(O)c3c(C)c(C(=O)N(C)C)sc3[nH]c2=O)c(OC)c1 49008067 OLHGYGGZQKHRGW-UHFFFAOYSA-N 431.470 2.575 0 40 IFAB CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)NCc3ccc(OC)cc3)nc12 49009222 DQBLZHKIJJIFRY-UHFFFAOYSA-N 449.536 2.930 0 40 IFAB Cc1cc(S(=O)(=O)N2CC(c3nc(-c4cnccn4)no3)C2)c(Cl)cc1Cl 49484924 CSJSXNSWGXWULC-UHFFFAOYSA-N 426.285 2.930 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)c1OC 57426674 DFTOIVRQZDMQKZ-UHFFFAOYSA-N 445.541 2.604 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)c1 59332585 WKDQTQJGMAYBJM-OAQYLSRUSA-N 429.586 2.798 0 40 IFAB O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1)Nc1cccc(F)c1 60369351 PQPRQFBKFDUROV-WMZOPIPTSA-N 430.524 2.834 0 40 IFAB C[C@@](O)(CNC(=O)c1cc2ccccc2n1Cc1ccccc1F)CN1CCOCC1 72306609 XCIJVHLQCPPDCN-XMMPIXPASA-N 425.504 2.642 0 40 IFAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 72329006 ZPROOEBTRGXCEQ-UHFFFAOYSA-N 442.541 2.876 0 40 IFAB COc1ccc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)cc1OC 72394394 CIYLIWAHAVRYEL-UHFFFAOYSA-N 446.569 2.893 0 40 IFAB CNC(=O)c1cc(Br)ccc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 83881878 VLEXITGCBWGJSB-UHFFFAOYSA-N 445.317 2.752 0 40 IFAB CC(C)(C)S(=O)(=O)CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 95453235 XHZMHSCRLFQPRG-UHFFFAOYSA-N 427.876 2.616 0 40 IFAB COC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100909463 HZISYXJDJJDMSV-NVXWUHKLSA-N 442.269 2.665 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 102477135 WGUFMPUEOAOPBL-QHCPKHFHSA-N 441.597 2.885 0 40 IFAB CCN1C[C@@H](CN(C)C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)Oc2ccccc21 107088977 QYPPQAAZABUNQX-CTNGQTDRSA-N 438.507 2.650 0 40 IFAB Cc1cc(OCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2c(C)c(C)c(=O)oc2c1 208171704 IBZVPUIHHNSFOT-ZWKOTPCHSA-N 434.492 2.905 0 40 IFAB CSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)s1 223452727 BZSSSSGUPPCVDY-UHFFFAOYSA-N 430.552 2.580 0 40 IFAB CC(C)Sc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 223848798 BCSXFHSPAHSTQA-GFCCVEGCSA-N 448.979 2.858 0 40 IFAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224796302 XTXAVCRUUUXPSX-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(Cl)c1 225245522 CJISPXBKVRKUBV-CYBMUJFWSA-N 445.324 2.716 0 40 IFAB O=C(c1ccccc1)N1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)CC1 225730549 QMWKKXBWIGDCPK-UHFFFAOYSA-N 447.461 2.696 0 40 IFAB COc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 306134888 OAMZMLMXGOEXAZ-AZGAKELHSA-N 444.535 2.882 0 40 IFAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCCOC(C)C 408533883 RGPSLBJTFPFACM-UHFFFAOYSA-N 434.558 2.784 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCC1=CCCCC1 408596284 RXPHWZIGQGRZEU-UHFFFAOYSA-N 442.965 2.746 0 40 IFAB CC1(C)CC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC(C)(C)N1 408709811 XFXPRSMZLBHILK-UHFFFAOYSA-N 426.517 2.574 0 40 IFAB C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)c4cccc5c4oc(=O)n5C)CC3)cc2NC1=O 534559475 KYIVCYOKQWWNQM-CYBMUJFWSA-N 449.463 2.586 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4cccc(F)c4)C3)CC2)cc1 585284881 ADAFHQAHTPXTRL-VWLOTQADSA-N 444.547 2.608 0 40 IFAB O=C(c1ccc2c(c1)Cc1cccc(c1)CNCCCCCO2)N1CCN(CCO)CC1 643583668 HFVONEZHLQCGEU-UHFFFAOYSA-N 437.584 2.680 0 40 IFAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCCN1C(=O)c2ccccc2C1=O 3268882 LJFAIIFCIPFPRW-UHFFFAOYSA-N 428.444 2.923 0 40 IFAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)Nc1ccc2c(c1)OCCO2 3450407 FIFVCTLOSUOLGF-UHFFFAOYSA-N 449.463 2.690 0 40 IFAB CC(C)(C)NC(=O)CN(Cc1ccc(F)cc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 6074308 WFFZBNYEHCNNJR-UHFFFAOYSA-N 442.470 2.562 0 40 IFAB O=C(COc1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 8587883 NRMLQRYHZMMQRD-UHFFFAOYSA-N 430.939 2.774 0 40 IFAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@@H]1c1ccc(O)cc1 8667647 YNNOFDLJUSZSFF-OAQYLSRUSA-N 435.484 2.845 0 40 IFAB CCSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 8948433 XGWOAAPMJHQFQP-UHFFFAOYSA-N 428.518 2.917 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)c(F)c1F 9253091 OHPCXVQPVHRTGT-UHFFFAOYSA-N 430.404 2.524 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)c2cc(OC)ccc2OC)c1C 9336972 KFHKKFFFHDWEOC-CYBMUJFWSA-N 432.473 2.860 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3F)cc2C1=O 9700725 LIPTVGMHUWPNLP-ZDUSSCGKSA-N 428.416 2.642 0 40 IFAB CCS(=O)(=O)n1nc(NCc2ccccc2OC)nc1NCc1ccccc1OC 9847070 ZLODQDVUWMZRDT-UHFFFAOYSA-N 431.518 2.717 0 40 IFAB CCOC(=O)N1CCN(C(=O)COC(=O)COc2ccc(Oc3ccccc3)cc2)CC1 9980563 HXJLMXOKQPACQF-UHFFFAOYSA-N 442.468 2.702 0 40 IFAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1-c1ccccc1O 10103782 DXPXITPXPCEIKH-UHFFFAOYSA-N 435.871 2.854 0 40 IFAB CCN(CC)CCn1c(C)cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 10233411 XHQJORSUTRPFRY-UHFFFAOYSA-N 442.951 2.501 0 40 IFAB Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c(=O)[nH]1 10458423 AZZWEMCFDMDDKS-GASCZTMLSA-N 431.558 2.588 0 40 IFAB COCCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696196 SIVQTBSUNPKRPE-AWEZNQCLSA-N 448.570 2.594 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1 12348263 HUSSKZVIBXFMTF-UHFFFAOYSA-N 444.900 2.927 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN(C)Cc1ccco1 12601210 WCXKYOJEDSSHJK-UHFFFAOYSA-N 435.546 2.923 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12650121 PJDWUEYKWCQVQU-UHFFFAOYSA-N 449.554 2.989 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cccc(F)c3)n2)o1 12704988 YXRILUWHGJEYJY-UHFFFAOYSA-N 440.479 2.863 0 40 IFAB O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12769442 OWTCQBTWXKDEFO-RUDMXATFSA-N 446.500 2.533 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 12860638 OCYOANJQAUQUSY-REWPJTCUSA-N 439.531 2.931 0 40 IFAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1C 12919868 KHFVGABZDRFFDD-HNNXBMFYSA-N 429.542 2.725 0 40 IFAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 12941474 OIKFRZWMLNKFBR-UHFFFAOYSA-N 446.598 2.957 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 12981459 YPIVHTNGMKMFLD-UHFFFAOYSA-N 446.345 2.919 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 13149122 QUVCWTOXRRVONE-DMZKTXOQSA-N 427.432 2.781 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCC(Cc2ccccc2)CC1 13581038 MURCKXKXKWQOFD-UHFFFAOYSA-N 434.533 2.936 0 40 IFAB CCOc1ccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccccc2)cc1 13669365 SMVPGNVQIDKUIH-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2)C1=O 13727188 JJAKKUHRQBRXQB-UHFFFAOYSA-N 446.909 2.983 0 40 IFAB O=C(CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1)NCc1ccccc1F 15107340 HPMUCBXYBFOGOZ-UHFFFAOYSA-N 427.436 2.771 0 40 IFAB Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)c(=O)[nH]c2c1C 19234209 GASZUDVPMNHVMV-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB CCc1cc(C(=O)N2CC[C@H](c3c(C(=O)NCCN(C)C)sc4ncccc34)C2)on1 19702436 HQOYKHCOLQBRSV-AWEZNQCLSA-N 441.557 2.768 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)C1 19706965 CILOWZQARDSYOH-LJQANCHMSA-N 439.535 2.719 0 40 IFAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCOc1cccc(F)c1)C2 19710927 OTEKZUZXSAWXTM-UHFFFAOYSA-N 427.524 2.820 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O 20456849 JWXYXKCYZZQTHD-UHFFFAOYSA-N 448.932 2.617 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 22609216 XEFHSALGGVOLTM-LJQANCHMSA-N 438.480 2.571 0 40 IFAB C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(Cl)c1Cl 23078875 IVOWEJSZHFSNNK-SNVBAGLBSA-N 428.272 2.728 0 40 IFAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1=O 25913570 DRHACHIDPNUDQJ-DEOSSOPVSA-N 437.471 2.714 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1CCNC(=O)[C@H]1c1c(C)nn(-c2ccccc2)c1C 28721356 YQFKUEXLFDWSOB-XMMPIXPASA-N 447.539 2.918 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1cc(=O)n2c(C)csc2n1 28721836 WKSVPLIOBZPROH-OAQYLSRUSA-N 448.552 2.540 0 40 IFAB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2cccc(Cl)c2)CC1 35291451 YJQJCLLIRPFVKU-NRFANRHFSA-N 442.951 2.893 0 40 IFAB COCC(=O)Nc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 40059984 QKCKQKQCSXXLKP-UHFFFAOYSA-N 435.274 2.986 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCC(C)C)CC2)c1 40151665 MNUPETZIZHSNPF-UHFFFAOYSA-N 437.606 2.732 0 40 IFAB Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)n1 44839585 NVGMFHBVVRQJGL-UHFFFAOYSA-N 436.490 2.667 0 40 IFAB CCOc1ccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 44905215 PMCBBWXNRLMYNT-FQEVSTJZSA-N 448.541 2.718 0 40 IFAB COc1ccccc1N1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 57293246 NRFBMZKVGCAWRC-HXUWFJFHSA-N 437.540 2.952 0 40 IFAB Cc1cc2nn(CC(=O)Nc3ccccc3F)c(=O)n2c(N2CCc3ccccc3C2)n1 57505876 WYACTCPCLBWPJA-UHFFFAOYSA-N 432.459 2.540 0 40 IFAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN(CC(=O)N4CCOCC4)CC3)c12 58160495 GDCMFXPNFYWKGF-UHFFFAOYSA-N 437.569 2.648 0 40 IFAB Cc1cccc(OC[C@@H](O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1 69416225 UBYRVUGPJZCXLD-FPOVZHCZSA-N 428.529 2.987 0 40 IFAB CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cnn(CC)c2)CC3)CC1 72398935 MQFDDIAVDVOBTB-UHFFFAOYSA-N 440.592 2.687 0 40 IFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 78752395 DQBUDHYESZWPJZ-SFHVURJKSA-N 443.979 2.993 0 40 IFAB Cc1nc(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n[nH]1 78822118 NGYLGCREPGMJNT-LLVKDONJSA-N 430.862 2.930 0 40 IFAB COc1ccc2c(C)c(CC(=O)NCCc3nc4ccccc4n3C)c(=O)oc2c1OC 96222343 PUHUAFRSRALEKP-UHFFFAOYSA-N 435.480 2.907 0 40 IFAB biogenic O=C(Nc1ccccc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(Cl)c1)S3(=O)=O)O2 96264006 AUMLEDZEYHEXIK-DYXWJJEUSA-N 447.944 2.929 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)C[C@H]5C=CCC5)CC4)nn3c(O)c2C1 100243089 XPRRCEIBPFUCIN-INIZCTEOSA-N 437.544 2.792 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)cc1 220152042 QRGTZAWUHHLTPG-INIZCTEOSA-N 428.514 2.824 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 223802183 JNNNLLFTICTOFF-UHFFFAOYSA-N 440.543 2.613 0 40 IFAB CCOc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 224247311 WFVUKTQRMOTJRF-UHFFFAOYSA-N 432.527 2.976 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc1 225514978 BGBOGKPELMKXRQ-SFHVURJKSA-N 440.525 2.762 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3cc(C4CC4)[nH]n3)CC2)c(C)c1 225754901 BFEGIHXESVGLFG-UHFFFAOYSA-N 431.562 2.891 0 40 IFAB O=C(Cc1ccc(OC(F)(F)F)cc1)NCCN1Cc2cc(F)ccc2OCC1=O 225771562 IOAVAEYYYCAAGZ-UHFFFAOYSA-N 426.366 2.804 0 40 IFAB Fc1ccc(CCCNC(=S)Nc2nc(N3CCCC3)cc(N3CCOCC3)n2)cc1 225967484 NSQSMESVSXNNDO-UHFFFAOYSA-N 444.580 2.972 0 40 IFAB NS(=O)(=O)c1ccc(CCNc2ncncc2-c2nc(-c3ccccc3F)no2)cc1 252491844 LWXUGZPCZPUAQX-UHFFFAOYSA-N 440.460 2.635 0 40 IFAB Cc1nc(Nc2cccc(C3CCN(C(=O)CC[C@H]4NC(=O)NC4=O)CC3)n2)sc1C 257341850 ZMDYSOZIARSGHV-MRXNPFEDSA-N 442.545 2.593 0 40 IFAB CCOc1ccc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260910396 YGSOCVGAEUAUFI-IBGZPJMESA-N 448.541 2.588 0 40 IFAB Cc1cncc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccncc4)C3=O)C2)c1 306144563 ZIUCMFIHDVRFMX-SQJMNOBHSA-N 444.539 2.567 0 40 IFAB COC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 408626040 KLHNECKBKRYWBI-AWEZNQCLSA-N 426.922 2.695 0 40 IFAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2OC)c1 408710270 VLQJIWTTZFEHDD-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB CN(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409061874 JLSZLEDROVIVKE-GOTSBHOMSA-O 431.491 2.908 0 40 IFAB CC(=O)N1CCCN(S(C)(=O)=O)CCN(Cc2ccccc2F)Cc2ccccc21 643561891 DIRAQDPILQSNDT-UHFFFAOYSA-N 433.549 2.846 0 40 IFAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccc(F)c3)c2)n1 1848351752 ACYFJQWRQWOYKU-MWTRTKDXSA-N 449.530 2.907 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)cnc2c1 1848640046 RURYWQDAHMSZJU-UHFFFAOYSA-N 444.495 2.538 0 40 IFAB CN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2C1=O 865005 UWYKRLJRWXUQIE-UHFFFAOYSA-N 441.509 2.729 0 40 IFAB CCOc1ccc(-c2nnn(CC(=O)Nc3cccc(C(=O)OC)c3)n2)cc1OCC 932016 LVBSPVHWMFWDOZ-UHFFFAOYSA-N 425.445 2.563 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)Nc1ccc2c(c1)OCCO2 1330935 SKPHHXSZPFMFRZ-UHFFFAOYSA-N 437.843 2.646 0 40 IFAB O=C(NCc1cccs1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12 2464793 LSSZMEKLYBMHPB-UHFFFAOYSA-N 431.539 2.694 0 40 IFAB Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3n2)cc1 3531023 LRMXWNYQDOCHND-QGZVFWFLSA-N 438.505 2.670 0 40 IFAB COc1ccc2cc(CN(Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 6282817 UHEZEDBFFHOQKM-FQEVSTJZSA-N 438.532 2.647 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccccc2OC)cc1 8996077 KSFPBSXRBBQETG-QHCPKHFHSA-N 447.491 2.843 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)C2CCCCC2)cc1Cl 9191323 SWTMUNWUTGVAPK-INIZCTEOSA-N 444.981 2.967 0 40 IFAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9245246 BIGKZBOVSJMQCL-UHFFFAOYSA-N 442.497 2.533 0 40 IFAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)ccc21 9464025 IMMQVXDEHMHZCF-YADHBBJMSA-N 434.492 2.604 0 40 IFAB Nc1nc(SCC(=O)Nc2ccc(F)cc2F)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518054 ITASWIFJFHQPFB-UHFFFAOYSA-N 449.414 2.753 0 40 IFAB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc2c(c1)OCCO2 9662333 IJJZSXPWNMLTTJ-ZJRYTYELSA-N 442.512 2.661 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)Nc1ccccc1 9749905 ULVUZYLOZNOJQG-LJQANCHMSA-N 447.532 2.822 0 40 IFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9823927 APXWMIAOTZQRJY-GOSISDBHSA-N 449.895 2.852 0 40 IFAB CCN(C(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 9962337 KUUIGIKDESMTJO-MRXNPFEDSA-N 435.571 2.636 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 9973733 HYKYAMNMFNZQRM-MRXNPFEDSA-N 432.498 2.521 0 40 IFAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)Nc1cccnc1)c1ccccc1 10004268 SCJFOLQRKMISSY-OALUTQOASA-N 434.404 2.556 0 40 IFAB COc1ccccc1-n1c(O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=S 12658128 UJSCLCJAACODOQ-INIZCTEOSA-N 442.449 2.886 0 40 IFAB biogenic CC1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 12772698 YBECJPIMCZXROD-UHFFFAOYSA-N 426.483 2.520 0 40 IFAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O 12802557 SGWHJBIAMJNCDB-OAQYLSRUSA-N 431.481 2.753 0 40 IFAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 12906362 JHEKICANSJBSBH-GJZGRUSLSA-N 431.514 2.695 0 40 IFAB CC(C)Nc1nn(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(=S)s1 13097595 XYVBWELZYBWSEW-UHFFFAOYSA-N 431.584 2.597 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCC(C(=O)OCC)CC1 13810602 ZGHVWKKZDSGLBU-CQSZACIVSA-N 445.516 2.955 0 40 IFAB CCc1ccc(N2C(=O)[C@@H]3[C@H](CCSC)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 16032804 MFRHGBHGAZKUNM-VKDGWMQASA-N 435.549 2.927 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1OC 16187932 WWWFRZBXTFQUNG-UHFFFAOYSA-N 447.340 2.948 0 40 IFAB COc1ccc(OCCN(C)C(=O)[C@H]2CN(C)C[C@@H]2c2ccc(CNC(C)=O)cc2)cc1 19699275 KVRXNGQHPPNHLI-RPWUZVMVSA-N 439.556 2.514 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccn2)CCC3)C1 19752635 DAAWAAXCQLBPSF-SFHVURJKSA-N 429.590 2.704 0 40 IFAB NC(=O)c1cc([C@H]2CN(C(=O)c3ccnc(N4CCCCC4)c3)CCO2)nc2ccccc12 19762140 YRCULURCDYZDBR-JOCHJYFZSA-N 445.523 2.933 0 40 IFAB COc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(OC)c1OC 20460308 SMZZLEHAVTXBSQ-UHFFFAOYSA-N 428.894 2.667 0 40 IFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1nc(-c2ccccc2OC)no1 22956012 IBOCQVUALRAZIQ-UHFFFAOYSA-N 430.486 2.807 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2)NC[C@H]1CCCO1 23139248 YYTMDAFIBRTGGH-MRXNPFEDSA-N 446.598 2.797 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC[C@H](c2nnc3ccccn23)C1 24457848 VYXYHLMHJWBYKI-VQTJNVASSA-N 429.524 2.977 0 40 IFAB CCOC(=O)C1=C(CN2CCc3cc(OC)c(OC)cc3C2)NC(=O)N[C@@H]1c1ccco1 30673069 DRTHYXXFKGZSHW-OAQYLSRUSA-N 441.484 2.526 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)c1 30851588 XLWWWNRBKAYKLD-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ncc(Br)cn4)CC3)c2c1 32105920 STRZKCDGNITYOP-QGZVFWFLSA-N 446.305 2.677 0 40 IFAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 32885710 KTGKBLMSMIKJBT-UHFFFAOYSA-N 435.933 2.969 0 40 IFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccco2)CC1 32893767 NIKBXJNCNDOUOG-IBGZPJMESA-N 433.455 2.733 0 40 IFAB COc1ccc(COC[C@H](O)CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 57985507 KDAATMBJPZSJRH-LJQANCHMSA-N 425.485 2.762 0 40 IFAB Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc(Nc2ncc(C)s2)n1 72382313 RMMLSNCOCIGETP-OAHLLOKOSA-N 447.590 2.670 0 40 IFAB C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1cc2ccccc2o1 79067464 DFOROLUIJXDXGD-ZDUSSCGKSA-N 449.467 2.808 0 40 IFAB O=C(CN1CCN(c2nccs2)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 89813245 JHZRFNMZHJJKDF-IBGZPJMESA-N 434.009 2.872 0 40 IFAB O=C(NCc1ccccc1)[C@@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccc3)CC2)O1 96144687 JCCSRUZPGPHZKJ-NRFANRHFSA-N 430.508 2.730 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCN(C(=O)Cc4cc(OC)c(OC)c(OC)c4)C3)cc2n1 100727500 PRNANNDSROANQE-OAHLLOKOSA-N 440.500 2.582 0 40 IFAB O=C1S/C(=C/c2ccc(I)cc2)C(=O)N1CN1CCOCC1 210977497 AQKIAJQNMIIGHR-UKTHLTGXSA-N 430.267 2.617 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 222505457 VNMICZMBAMLCGE-KRWDZBQOSA-N 448.944 2.825 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)CC1 224132330 PBTYFQMWMYEZSS-UHFFFAOYSA-N 445.541 2.734 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)ccc21 224413238 QPJFXILURCYKQD-UHFFFAOYSA-N 429.542 2.505 0 40 IFAB O=C1CN(C2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccccc1 225822394 XJRXVQSVGSWRGR-UHFFFAOYSA-N 449.479 2.728 0 40 IFAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)c(OC)c1 225834152 IMFZZNRGFLXVBW-GFCCVEGCSA-N 428.536 2.579 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc3ccccc23)cc1OC 226036874 MOXPCZJIXLSKAA-UHFFFAOYSA-N 428.510 2.794 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(C(=O)C3(c4ccccc4F)CCOCC3)CC2)C1 257297119 RFYFIAMWZRWWAZ-LJQANCHMSA-N 432.536 2.892 0 40 IFAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CCC(=O)O)C[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 257309055 TZIMCXNYYRDOBN-VKGYTVAMSA-N 446.931 2.702 0 40 IFAB Cc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1 260754890 RGEPHVIGZIFRGY-LJQANCHMSA-N 445.585 2.703 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@@]2(CCn3ncnc3[C@@H]2NC(=O)c2cccs2)C1 306141728 WEXLLOUYVJHNTK-NZQKXSOJSA-N 435.553 2.984 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 408624462 QIEJNPRIFURSKA-UHFFFAOYSA-N 446.525 2.531 0 40 IFAB O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 408714270 MPTVPPAABCONFG-CZUORRHYSA-N 435.373 2.830 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1 409017811 QESVMDJMTIKPAO-UHFFFAOYSA-N 426.469 2.981 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc(Cl)c1 409029189 ZFNOQHJGQGIUAV-UHFFFAOYSA-N 435.933 2.981 0 40 IFAB COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060818 YHPLATNDTXUUSM-GWLUTCJNSA-O 436.438 2.990 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 409201397 MREIBJXUDLBQKG-ZDLGFXPLSA-N 428.466 2.762 0 40 IFAB CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1cccc(OCc2cscn2)c1 521846282 YTKXPRMXALIYND-LJQANCHMSA-N 435.513 2.949 0 40 IFAB O=C1C[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CN1CCN1CCOCC1 524567244 QBZXFTWGIMIYGO-HXUWFJFHSA-N 433.980 2.591 0 40 IFAB COc1ccc([C@@H](CNC(=O)N2CCN(C(=O)c3ccco3)CC2)N2CCCC2)cc1 606149946 VBMHWXPWFIGZOF-HXUWFJFHSA-N 426.517 2.593 0 40 IFAB CCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccccn1 1362448 GWHYIFZTKQCBQM-UHFFFAOYSA-N 425.514 2.679 0 40 IFAB O=C(OCC(=O)N1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3318843 XYHFRIWXLOMFMC-UHFFFAOYSA-N 428.938 2.684 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl 3407218 YUEBSIHMNDJSPD-NSHDSACASA-N 425.894 2.613 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)sc(C(C)=O)c1C 3408470 MIWRSFKPEQIIHZ-UHFFFAOYSA-N 447.469 2.722 0 40 IFAB COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1F 3511274 YUQNMVOVWIIICK-UHFFFAOYSA-N 443.880 2.866 0 40 IFAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@@H]1NC(=O)NC1=O)c1ccc(C)cc1 4571501 YDFBUWZDJQSEFH-MBSDFSHPSA-N 428.533 2.544 0 40 IFAB CCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O 5252048 KWTBUSJEYABNEJ-CQSZACIVSA-N 427.505 2.502 0 40 IFAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC[C@@H]2CCCO2)s1 8912401 UZOLIFVOURAECB-ZDUSSCGKSA-N 430.573 2.669 0 40 IFAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1N1CCOCC1 9111766 BCAAIYPJJFAPGU-UHFFFAOYSA-N 440.935 2.828 0 40 IFAB C[C@@]1(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CCS(=O)(=O)C1 9184021 KQWMBSZCXFDGIL-JOCHJYFZSA-N 427.478 2.532 0 40 IFAB biogenic COc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)c1 9667920 ICDXZUHEBCMLSY-UHFFFAOYSA-N 445.541 2.726 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)Nc3ncc(C)s3)CC1)O2 12086664 CYRGCYPHMQCHNZ-NYHFZMIOSA-N 442.541 2.661 0 40 IFAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12749617 OYXOJHGIVKJSTO-LXGFQCHUSA-N 449.592 2.606 0 40 IFAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 12882847 FGWIRGNEJNSCEJ-KBXCAEBGSA-N 429.464 2.946 0 40 IFAB CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 13012112 DTXDOVWOBGRUER-UHFFFAOYSA-N 438.933 2.512 0 40 IFAB CC(=O)c1cccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 13506366 KNUAHMSWKFPWAR-UHFFFAOYSA-N 427.526 2.773 0 40 IFAB CC(=O)N1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)CC1 13563006 PVMLVGOWHMRQRQ-UHFFFAOYSA-N 434.496 2.580 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1 13671466 AQHIGIPMDJYCKU-SFHVURJKSA-N 425.595 2.622 0 40 IFAB Cn1c(=O)c2c(SCC(=O)NC3CCCCCCC3)nc(C(C)(C)C)nc2n(C)c1=O 15280812 AOOIDIIFCRASNJ-UHFFFAOYSA-N 447.605 2.646 0 40 IFAB O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c2=O)C1 19348149 MYZLNFVLHYXQSR-FQEVSTJZSA-N 438.503 2.500 0 40 IFAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCc3ccccc3F)[nH]c2=O)C1 19499105 SYTOIONITOBTMB-FQEVSTJZSA-N 440.519 2.890 0 40 IFAB Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)[nH]c2c1 19569229 OKZYEUKDQYFOLL-JOCHJYFZSA-N 430.512 2.601 0 40 IFAB CSCC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cc(=O)[nH]c(-c2cccnc2)n1 19573945 ZORDBZYVDVBDLC-SJLPKXTDSA-N 449.536 2.868 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2c[nH]nc2C)CCO1 19697663 NLCSQCXISYRVAS-MRXNPFEDSA-N 428.514 2.523 0 40 IFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2Cc1ccc(F)cc1 19706588 MBNUMWJUBHTYQE-GOSISDBHSA-N 447.580 2.863 0 40 IFAB COCCN1CC=CCC2(CCN(C(=O)CCN3CCCc4ccccc43)CC2)C1=O 19742679 IAVUXFMTYGKKAH-UHFFFAOYSA-N 425.573 2.873 0 40 IFAB COc1cccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)c1 19756152 GOXILSHOPWACKB-HXUWFJFHSA-N 444.557 2.946 0 40 IFAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)Cc3ccccn3)CC2)n1 19756349 RNMLVSQOAWSMFL-UHFFFAOYSA-N 449.530 2.908 0 40 IFAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1C[C@H](C)O[C@@H](C)C1 20193450 AOOASYRDZJCKBR-KBPBESRZSA-N 433.505 2.800 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2ccc(C)cc2C)c1=O 20610887 OVAWTBPTWMJYQS-NRFANRHFSA-N 432.480 2.573 0 40 IFAB biogenic Nn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1-c1cccs1 21468943 HKYQAFMEYUAIMB-AWEZNQCLSA-N 443.554 2.947 0 40 IFAB COc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c(OC)c1 22333531 ZXQABYBKILLWDN-KRWDZBQOSA-N 448.541 2.888 0 40 IFAB O[C@@H](COc1ccc(Br)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22791597 VKMTVMBBLOHOTQ-GOSISDBHSA-N 449.345 2.735 0 40 IFAB CC(C)Oc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 23134737 DLDQFZYLIVXPFI-UHFFFAOYSA-N 442.470 2.686 0 40 IFAB O=C(CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1nc(-c2ccc(Cl)cc2)no1 28218172 SAUNOUXVFTZGRT-HZPDHXFCSA-N 430.892 2.962 0 40 IFAB COc1ccc(CCNC(=O)Cn2cnc3c(oc4nc(C)c(C)cc43)c2=O)cc1OC 40287736 VYNWIJXJDWJCHP-UHFFFAOYSA-N 436.468 2.531 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 48286348 AGKHMJSRVDKRHV-LSDHHAIUSA-N 428.510 2.532 0 40 IFAB COc1ccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)cc1 49411560 HKJJDYUUCFKSEF-UHFFFAOYSA-N 442.472 2.968 0 40 IFAB CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2OC)c(-c2ccc(F)cc2)n1 57508751 ZTUAUBGDFQIXED-UHFFFAOYSA-N 425.460 2.945 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN[C@@H](c2ccc(OC)c(OC)c2)C(F)(F)F)cc1 57996314 GDLRRDPCMOVITD-SFHVURJKSA-N 425.407 2.895 0 40 IFAB Cc1cc(=O)n(CC(=O)N[C@H]2CCc3ccccc32)c(N2CCN(c3ccccc3)CC2)n1 67219956 IAESCECWTCDFLJ-QHCPKHFHSA-N 443.551 2.682 0 40 IFAB C[C@@H]1CSc2ccccc2N(S(=O)(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 89941249 WTPWQBGTXOIFBJ-NSHDSACASA-N 432.976 2.925 0 40 IFAB COC(=O)CCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 94993084 CODRYOFWHMWTFX-UHFFFAOYSA-N 443.496 2.834 0 40 IFAB COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)CC(C)C)CC3)O2)c1 96262962 ZHLUIHYVMRDDNL-LJQANCHMSA-N 426.517 2.793 0 40 IFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 102905144 DPVDVYNFJBOSPJ-ZIAGYGMSSA-N 427.482 2.695 0 40 IFAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105881759 SYHJUOTXUQOPJS-JMVFIXPQSA-N 448.585 2.815 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 108825487 MAKXRHGKYHEXQX-SDQKMFPPSA-N 435.471 2.996 0 40 IFAB Cc1ccccc1N(CCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 113967685 XAUYGMGSCLNNQN-UHFFFAOYSA-N 444.601 2.932 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1C 220106802 MOSVIMGPDBRAIR-UHFFFAOYSA-N 434.514 2.974 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(CC)cc2)S(C)(=O)=O)cc1 223708229 IPNKFNRCCBYKQI-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1cccc(C)c1C 223930013 FQVOHMJRGPGPHM-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1Cl 224263386 WAVOIYLCALDQCX-OAHLLOKOSA-N 440.949 2.861 0 40 IFAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)s1 225825019 QIXDQXVRHRZKNZ-UHFFFAOYSA-N 425.513 2.766 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCNc2ccnc3cc(Cl)ccc23)C1 260746395 ROBZABMRXRNJPE-HNNXBMFYSA-N 438.981 2.868 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(C(=O)c4ccoc4)C[C@@H]3c3cccnc3)C2=O)cc1 306145121 ZYUVGDLURJTJMS-RCZVLFRGSA-N 447.491 2.721 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 408713585 ITQVFFPVCUAOCN-ZDUSSCGKSA-N 436.461 2.602 0 40 IFAB CC(C)c1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1 643550573 KHRMTMDOBIIOIO-HNNXBMFYSA-N 448.574 2.901 0 40 IFAB CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 683762240 XXIIPEJKSSCOBD-CQSZACIVSA-N 441.395 2.865 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(C(=O)c1ccccn1)CC2 1549166364 DEKGBDYLBRWYPV-JOCHJYFZSA-N 446.551 2.937 0 40 IFAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c1c(=O)n(C)c(=O)n2C 2144564 LKCQFICBBYRVPZ-UHFFFAOYSA-N 429.546 2.581 0 40 IFAB Cc1cc(Br)c(NC(=O)COC(=O)c2ccc[n+]([O-])c2)c(Br)c1 3317751 IRAMVDXMYJAXKB-UHFFFAOYSA-N 444.079 2.949 0 40 IFAB NC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cccs2)cc1 3403725 NCFGVWMFVPZYLF-UHFFFAOYSA-N 429.523 2.677 0 40 IFAB CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCCC1 6501007 VADRWEWOOFPFBA-HNNXBMFYSA-N 435.594 2.827 0 40 IFAB CC(C)CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 8791343 ZSCWQEMHSRKYMF-GNOCETLISA-N 444.535 2.915 0 40 IFAB biogenic COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cc(=O)n2ccsc2n1 9139975 ANEFSANHGUEEJW-UHFFFAOYSA-N 448.570 2.941 0 40 IFAB Cc1csc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)n1 9264007 DDUJMNHFONGFFP-NSHDSACASA-N 434.522 2.768 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 9288599 DIQHRDBPYKIZHU-INIZCTEOSA-N 445.541 2.717 0 40 IFAB Cn1c(=O)c2sc3c(c2n(CC(=O)Nc2ccc(Cl)cc2)c1=O)COC(C)(C)C3 9435785 JXPFHVAENBIINW-UHFFFAOYSA-N 433.917 2.905 0 40 IFAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9493552 DQRKUIHLZCUWTO-UHFFFAOYSA-N 435.933 2.883 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 9531837 TZLZVRAUSSLJGW-UHFFFAOYSA-N 427.555 2.786 0 40 IFAB CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 9631799 MVPLDNYPDONPCL-INIZCTEOSA-N 437.974 2.817 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9671652 QKAYYEICUHWGIM-AWEZNQCLSA-N 441.534 2.847 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(F)cc4F)[C@H]3C2=O)cc1Cl 9675059 IPEPFJGXJIVCPH-DLBZAZTESA-N 449.801 2.559 0 40 IFAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 9884264 OSASQRIDCHXHTP-UUOWRZLLSA-N 435.480 2.718 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)c1 10255274 BTDJEUPRYZNROX-KRWDZBQOSA-N 442.541 2.600 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 10383279 VCMNXZFQLWCIFS-UHFFFAOYSA-N 432.951 2.860 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 11834810 OGQGLVPFNLBGME-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB COc1ccc(OC)c(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 12219499 ZQDBHTMQFGVKIS-SFHVURJKSA-N 437.544 2.964 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(C)cc2C)c2c(C(N)=O)nc(-c3ccsc3)nc21 12236950 HZVVYIKSMVVILS-UHFFFAOYSA-N 435.509 2.940 0 40 IFAB COc1ccc(OC)c2c1s/c(=N/C(=O)CCS(=O)(=O)c1ccc(F)cc1)n2C 12237966 CHMWPNLOCKTCOR-XUTLUUPISA-N 438.502 2.687 0 40 IFAB O=C1CN(S(=O)(=O)c2ccc3oc4cc(-n5cnnn5)ccc4c3c2)c2ccccc2N1 12360074 BAXXQBKNBVCNSA-UHFFFAOYSA-N 446.448 2.709 0 40 IFAB O=S(=O)(c1cccc(CSc2nncn2-c2ccccc2F)c1)N1CCOCC1 12543911 OAWNDLYCLXUSNX-UHFFFAOYSA-N 434.518 2.720 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 12783439 KIXDSTGQOGQYRF-UHFFFAOYSA-N 448.932 2.719 0 40 IFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 12798719 KMOISINDQYNORW-UHFFFAOYSA-N 431.558 2.848 0 40 IFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@H]1CCN(Cc2ccccc2)C1 12916668 DSXYBALTWODLID-KRWDZBQOSA-N 428.949 2.799 0 40 IFAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc2c(c1)OCO2 12999955 XHAUSIZVEZVUNW-UHFFFAOYSA-N 438.267 2.549 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cc(F)ccc3OC)CC2)cc1 13014379 BLGDFCNNFXVRSE-NRFANRHFSA-N 436.549 2.827 0 40 IFAB CCCCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O 13056276 VPNNPDZAMHCBSA-UHFFFAOYSA-N 441.576 2.813 0 40 IFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F 13685199 SNOFBJJXIPKQGF-UHFFFAOYSA-N 429.811 2.876 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 14244651 ZSBSVEFGLRPPEU-GOSISDBHSA-N 441.484 2.960 0 40 IFAB Cc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1C 17052485 OJEDWIKSXGGCOH-UHFFFAOYSA-N 431.475 2.929 0 40 IFAB O=C(CN(c1ccncc1)S(=O)(=O)c1ccccc1)Nc1cccc2nsnc12 19079911 LKEBEGCLGAKGON-UHFFFAOYSA-N 425.495 2.920 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CCn2nccc2C)CCO1 19238473 AVBOXYCBNGACLQ-SANMLTNESA-N 446.551 2.835 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)NC2CCCCC2)C(=O)N2CCCN=C32)cc1 19558868 DFWKRATXEUUAKT-UHFFFAOYSA-N 436.516 2.722 0 40 IFAB CNc1cc(C(=O)N2CC[C@@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)ccn1 19702355 UUVPAXVOEHXKBD-OAHLLOKOSA-N 439.541 2.739 0 40 IFAB Cc1noc(CCC(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccccc4F)c(C)n3)C2)n1 19758059 NFQJDGNPAQIKEM-OAHLLOKOSA-N 438.463 2.817 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)sc2c1CC[C@H](C)C2 19796774 ICSLSLLAJCDCBU-JTQLQIEISA-N 433.555 2.962 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 22008287 NISHKOUWVWZSCR-LJQANCHMSA-N 427.526 2.953 0 40 IFAB CCCCCCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2c(c1)OCCO2 22512103 ANALQRFMDWMANK-INIZCTEOSA-N 430.592 2.554 0 40 IFAB CN(CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 22975339 PRIQNPFEHOSSNU-OAHLLOKOSA-N 427.979 2.807 0 40 IFAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)n1nnc(-c2ccc(Cl)cc2)n1 23870702 LZSADGNBYPURRS-VIFPVBQESA-N 438.797 2.727 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 25175588 FBFXDWTWMRTXSL-LJQANCHMSA-N 440.887 2.739 0 40 IFAB NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)CC1 26536683 PSMVQNJISWMHJK-QFIPXVFZSA-N 448.523 2.729 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)C[C@H](C)O1 29184548 BTCQWFSEEYQFFK-IKGGRYGDSA-N 445.585 2.528 0 40 IFAB COc1ccc([C@@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccccc2OC)c(OC)c1 29598308 DLKKXHIMUVXBBX-IBGZPJMESA-N 441.528 2.758 0 40 IFAB CCc1cc2oc(=O)cc(COC(=O)CCC(=O)N3CCN(C(C)=O)CC3)c2cc1Cl 32739608 MSBZUUXFAYGTMS-UHFFFAOYSA-N 448.903 2.523 0 40 IFAB COc1ccc(CCNC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 32893310 MOPQFQBMCGLTIF-UHFFFAOYSA-N 426.542 2.907 0 40 IFAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 48253987 VXNYAGBIISIDFL-XJKSGUPXSA-N 437.418 2.897 0 40 IFAB COc1cc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)cc(OC)c1 57506544 WGKCVEQSJIVDNU-UHFFFAOYSA-N 434.496 2.770 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2ccc(-n3cnnn3)c(C)c2)c1 58048745 CWFPGIVBGLLHON-UHFFFAOYSA-N 442.545 2.870 0 40 IFAB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 58163009 FECOCYKPMVXRJR-UHFFFAOYSA-N 439.516 2.809 0 40 IFAB C[C@@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1(Cl)Cl 68901619 PHAQBVMJMPYUGK-AWEZNQCLSA-N 427.737 2.883 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)CC2)cc1 72296544 AOSXOJWIWSQIGR-HSZRJFAPSA-N 425.504 2.750 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)CCc2cnn(C)c2)c2ccccc2)c(C)c1 72297590 FCLMIDDUCPFZCA-NRFANRHFSA-N 440.569 2.806 0 40 IFAB CNC(=O)c1cccc(-c2noc(C3CN(S(=O)(=O)/C=C/c4ccc(C)cc4)C3)n2)c1 77191241 QCYXDYUDMGLYSA-ZHACJKMWSA-N 438.509 2.805 0 40 IFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H]2C(=O)O 102329490 YWBPPUGIRVBOCM-ZYOFANERSA-N 426.513 2.753 0 40 IFAB COc1cc(CNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)ccc1OC(C)C 219440970 RCDWGPOPEUJAHM-UHFFFAOYSA-N 446.525 2.724 0 40 IFAB Cc1ccc2c(c1)O[C@@H](C(=O)Nc1nnc(-c3ccccc3)s1)CN2S(C)(=O)=O 223344151 HWKUKVDAHFLEMS-MRXNPFEDSA-N 430.511 2.679 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3nc(-c4cccc(C)c4)no3)ccc21 223914723 JUQJTCORRJPIRJ-UHFFFAOYSA-N 426.498 2.823 0 40 IFAB O=C(NCCCN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225547277 FCGKAXNVWVWSJL-QGZVFWFLSA-N 427.998 2.733 0 40 IFAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCOC)ccc21 225727441 VQAPRFBMUJTFMY-UHFFFAOYSA-N 449.554 2.650 0 40 IFAB COc1cccc(OC)c1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 226076687 XLSNAJPZDHQUIZ-KRWDZBQOSA-N 432.542 2.729 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOc4ccccc43)C2)cc1C 226084714 RCGHJJJUPFLPEZ-QGZVFWFLSA-N 430.526 2.830 0 40 IFAB O=C(N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1)C1(c2ccccc2F)CCOCC1 257271610 MZADGICUPPQAKO-SFHVURJKSA-N 438.503 2.634 0 40 IFAB Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@@H]3Cc2ccccc2)c(=O)n1 257283315 OXTLGUMBTWADPC-KDHQNNTKSA-N 434.584 2.993 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2nnc(SCC(C)C)s2)Oc2ccccc21 260808158 GEPRGERVFWFOQA-CQSZACIVSA-N 442.588 2.842 0 40 IFAB O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1)NCc1ccccc1 408614485 CSNJPYPWPYVUQO-LJQANCHMSA-N 447.491 2.644 0 40 IFAB COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)c1 408636768 BXBSWHQKVBOGFG-UHFFFAOYSA-N 425.470 2.948 0 40 IFAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCOC)cc1Cl 408637115 XVEVKXGDWJOWCC-UHFFFAOYSA-N 442.921 2.681 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408784986 DZMDTDLZECBWSR-JKALPCAWSA-N 438.480 2.643 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(C)cc1 408824600 IJUGPFHMRDJHRT-UBXANZILSA-N 434.517 2.812 0 40 IFAB O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 552169789 JDGHRIOQTJXHBJ-INIZCTEOSA-N 439.459 2.710 0 40 IFAB Cc1ccc(NC(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c(Cl)c1 575608486 UXQAVASAAZEJMB-UHFFFAOYSA-N 431.928 2.592 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)c1 585107181 QSLKWQIHAFTOPV-JYFHCDHNSA-N 435.568 2.702 0 40 IFAB Cc1ccc(OC[C@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)cc1 585285046 VQJCHZHNEOKSFV-AREMUKBSSA-N 440.584 2.777 0 40 IFAB Cc1nc(COc2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC4)cc3)cc2)no1 590896564 XLGCYKZWZONLJQ-UHFFFAOYSA-N 442.497 2.992 0 40 IFAB Cc1cncc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)c1 643556657 OJTFDAZOOCICHH-VWLOTQADSA-N 437.540 2.865 0 40 IFAB COc1cc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)cc(OC)c1OC 1888994975 XSBHQIRLDRUQSC-IRXDYDNUSA-N 436.512 2.808 0 40 IFAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(Br)cc3)CC2)n1 1889138794 BAWMYWLIPNYJPY-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB O=C(O)CCN1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21 2079037 OGYWZRYGIQECNN-IOBOIYPZSA-N 426.266 2.860 0 40 IFAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2n[nH]c(N)n2)nc1C 3411573 ICKXZFLRVVQVCW-UHFFFAOYSA-N 432.531 2.654 0 40 IFAB O=C(O)CCCCCN(C[C@@H](O)COc1ccccc1)C[C@@H](O)COc1ccccc1 4358526 XIWHNQHSSFOOHH-NHCUHLMSSA-N 431.529 2.813 0 40 IFAB Cc1cccc(C(=O)NC(=S)N2CCN(C(=S)NC(=O)c3cccc(C)c3)CC2)c1 8774481 WMYVFAFYLQGONS-UHFFFAOYSA-N 440.594 2.651 0 40 IFAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCCCC1 9126514 MYJKVPRTJOQBGF-OAQYLSRUSA-N 441.553 2.638 0 40 IFAB O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 9245715 PUSWBPIXQPUZHK-UHFFFAOYSA-N 439.468 2.884 0 40 IFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 9448720 FJGYXELPVKAFQK-DHIUTWEWSA-N 427.504 2.987 0 40 IFAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4C)c(-c4ccccc4)cn23)n(C)c1=O 9713219 OJNJQVDUWDQKOB-UHFFFAOYSA-N 427.464 2.703 0 40 IFAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733486 SIFHNNNXMSXITN-UHFFFAOYSA-N 443.978 2.764 0 40 IFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1=O 9954161 PFUSUBPWJPLBFT-FLPMJASOSA-N 448.523 2.571 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 10022928 TWEPDOUGUAVDIC-NEPJUHHUSA-N 436.559 2.532 0 40 IFAB CN(C)CCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 10111472 SAUXSMWUWIALNJ-UHFFFAOYSA-N 427.929 2.742 0 40 IFAB Cc1nc(COc2cccc(C(=O)NCc3ccc(CS(N)(=O)=O)cc3)c2)cs1 10707185 AIIIXXHOZAPGKL-UHFFFAOYSA-N 431.539 2.749 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12 12422804 ZJEVSIAIPDBYGH-UHFFFAOYSA-N 437.565 2.717 0 40 IFAB COc1ccccc1-n1c(=O)n(CC(=O)Nc2cccc(C)c2C)c(=O)c2cccnc21 12462913 QDIDLSGKPHZIKQ-UHFFFAOYSA-N 430.464 2.812 0 40 IFAB CCn1c(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)nc2cc(S(=O)(=O)N(C)C)ccc21 13075998 QOYCCOCBSDAOJH-XYPWUTKMSA-N 447.557 2.745 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)c(C)c1 13670211 HBJSQXJFWJYXNX-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14583366 DPVDVYNFJBOSPJ-KBPBESRZSA-N 427.482 2.695 0 40 IFAB CCc1cccc(CC)c1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 15048909 LJVONDQMFVGURI-QFIPXVFZSA-N 437.540 2.876 0 40 IFAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)/N=c1/sccn1Cc1ccccc1F 18232224 IIQQIIFPPWOCGO-LSDHQDQOSA-N 448.545 2.601 0 40 IFAB C[C@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccc(Cl)cc1 18591409 SNDQNDAPQKLSKU-AWEZNQCLSA-N 428.872 2.851 0 40 IFAB CC(C)c1noc(CCC(=O)N2CCC(c3ccc(C(=O)N4CCCC4)c(N)n3)CC2)n1 19765874 WIHJEODAESNWTR-UHFFFAOYSA-N 440.548 2.745 0 40 IFAB NC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 20234296 NLMKMLAWLABTLI-UHFFFAOYSA-N 427.457 2.759 0 40 IFAB COc1ccccc1-n1c(=O)n(Cc2cn3ccccc3n2)c(=O)c2c(C)cc(C)nc21 20353635 WYMOWDKBBOVDEJ-UHFFFAOYSA-N 427.464 2.869 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3nc(-c4cccs4)no3)C2)cc1 22256323 SSFMYNZNACKPRN-OAHLLOKOSA-N 446.554 2.824 0 40 IFAB Cn1c(CN2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)cc(=O)n(C)c1=O 22916897 IKISKVHLAFMVNZ-UHFFFAOYSA-N 444.988 2.784 0 40 IFAB Cc1nc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccccc3N3CCCC3=O)sc2n1 22977569 GFCYBZWQOGKZKN-UHFFFAOYSA-N 439.497 2.813 0 40 IFAB CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 23325505 KZSJRDBHVCCBSC-UHFFFAOYSA-N 439.578 2.989 0 40 IFAB CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)S(=O)(=O)c1ccc(Cl)s1 23441037 WKFWBMGDIGTSTI-UHFFFAOYSA-N 445.969 2.506 0 40 IFAB O=C(CCn1ncc(=O)c2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 23882676 BJLAYEIVMNMMLF-UHFFFAOYSA-N 433.537 2.741 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1C(N)=O 26761643 QITXNRIGQZCDLO-OAHLLOKOSA-N 444.582 2.771 0 40 IFAB COc1cc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(OC)cc1Cl 30942783 CCWMONNCUCDRMS-GOSISDBHSA-N 440.905 2.831 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2)CC1 32760754 GJGDQKPNTRZCLF-HXUWFJFHSA-N 425.916 2.929 0 40 IFAB CCCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccccc1F 32810329 ZEXMGDNQAKUWIG-UHFFFAOYSA-N 433.505 2.992 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 38752954 KLCSJAQNOYAYIS-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2n1C)[C@@H]1CCS(=O)(=O)C1 48353908 ZYMOFJFSUFNQGV-CQSZACIVSA-N 429.995 2.991 0 40 IFAB COc1cc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)cc(OC)c1 49399263 GUDJYRGPFBIHJX-UHFFFAOYSA-N 433.468 2.831 0 40 IFAB CCN(C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)[C@@H]1CCS(=O)(=O)C1 58406017 BQCXUGPIBQAJMN-QGZVFWFLSA-N 434.583 2.901 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2snc(C(=O)N3CCCC3)c2N)CC1 62006805 SNIJWQNUIIWAGM-UHFFFAOYSA-N 433.965 2.886 0 40 IFAB COc1ccc(NC(=O)c2nnn(CC(=O)NCCc3ccc(Cl)cc3)c2C)cc1 71327436 JXINJQWPYJSIID-UHFFFAOYSA-N 427.892 2.860 0 40 IFAB CCOC(=O)[C@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H](C)CC 72303259 ZIIXXBUBSGENLK-APPDUMDISA-N 437.587 2.801 0 40 IFAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cscn4)CC3)n2)C1 72335948 LDBBQGKDVATVCC-AWEZNQCLSA-N 449.602 2.593 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)CCn1cnnn1 72370570 BRQCNSGLTJRROP-OAHLLOKOSA-N 426.546 2.604 0 40 IFAB Cn1cnc(S(=O)(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c1 72371771 CZQGRSCLSRQLDA-AWEZNQCLSA-N 435.937 2.596 0 40 IFAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1nnc(CCN2CCc3ccccc3C2)s1 72391483 BSOVVHDCRGFQGX-IBGZPJMESA-N 449.536 2.867 0 40 IFAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)NCc4nc5ccccc5n4C)C3)nc2)n1 77100763 SBSAZARKFGNCKQ-KRWDZBQOSA-N 431.500 2.860 0 40 IFAB CN(CCNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C)C1CC1 89662701 KUNPLUFNQGFDTL-NRFANRHFSA-N 441.576 2.578 0 40 IFAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1ccnc1 115081311 PCEDLMQXPSUOQU-UHFFFAOYSA-N 446.960 2.934 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 143153635 CCTQDOZRQDVYRX-UHFFFAOYSA-N 430.526 2.927 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Br)cc3)[C@@]2(CO)C(=O)O)cc1 218230426 UVYHYDKSNCCIEB-XYJFISCASA-N 425.300 2.761 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 222590618 MPOYNMUPTLMRDH-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1C(=O)N1CCOCC1 223874623 BAPZIYFZFNZKQG-UHFFFAOYSA-N 438.933 2.642 0 40 IFAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 226654845 MEQUQAJVQWRJRK-HULNYRCFSA-N 447.443 2.619 0 40 IFAB O=C1CN(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C(=O)N1 257227945 FRRBQWHXUIDDBD-SFHVURJKSA-N 446.429 2.907 0 40 IFAB Cc1c(F)cccc1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 257289795 QAEZRAJLAVGBEJ-UHFFFAOYSA-N 425.570 2.989 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(OC)c1 408669531 WKJMGDCFOCUGKV-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1 409060906 WYHRYQVQBRMRBZ-ZEQRLZLVSA-O 443.527 2.777 0 40 IFAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)OCC)c(OC)c2)C1=O 409230704 FRXGXWNTSIZDCE-MDWZMJQESA-N 441.278 2.702 0 40 IFAB O=C1C[C@@H](c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)N2NC=NC2=N1 409375243 HRECTKWPLGOZHD-HNNXBMFYSA-N 431.374 2.899 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1 585147822 ACNWPLFKUFUCFO-IBGZPJMESA-N 440.477 2.612 0 40 IFAB CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccc(F)cc4F)oc3nc2n(C)c1=O 585152488 PFYQZLUQVIHCGH-UHFFFAOYSA-N 444.394 2.525 0 40 IFAB COCC(=O)N1CCN(C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 585283035 OUZKJUNZULNIOM-QHCPKHFHSA-N 440.531 2.834 0 40 IFAB CO[C@@H]1C=C[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@@H](C)CCC=C1C 585660737 XBLHNZRXAORYAC-OEENFZCBSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro C[C@]1(c2cccc(CNC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)c2)NC(=O)NC1=O 1115985783 NQPRURQGHSXJCL-XMSQKQJNSA-N 442.903 2.678 0 40 IFAB Cc1ccc(NCCCNC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)nc1 1634488902 HQDXEVHJEJCYBD-UHFFFAOYSA-N 430.984 2.967 0 40 IFAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)ccc2OC)c1 909896 OGVYSPGTYDLASB-HXUWFJFHSA-N 427.457 2.988 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 1351068 RNFJTRLAZOJMMY-OAHLLOKOSA-N 426.535 2.867 0 40 IFAB CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccc(F)cc1F 2091885 XUHCHCARTMHCSE-WIEQDCTASA-N 444.482 2.919 0 40 IFAB biogenic O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)N1CCCc2ccccc21 4035021 HHZSFXWTLZAKOK-UHFFFAOYSA-N 434.887 2.669 0 40 IFAB CCOC(=O)O[C@H]1[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H](OC)[C@@H]1OC(=O)OCC 5201872 DPMUGDANRAMDDH-YLALRLGGSA-N 426.418 2.555 0 40 IFAB CCc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)s1 8916988 DQZNEGIHYTUOPY-UHFFFAOYSA-N 441.897 2.909 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)COC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C 9256897 OGRGWAJCAZMYRZ-UHFFFAOYSA-N 445.560 2.767 0 40 IFAB COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5ccccc5)C(=O)[C@H]24)O3)cc1OC 9410393 WOVSHUFYFUOIMY-XBZNOJLSSA-N 434.492 2.667 0 40 IFAB O=C(NCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 9427957 QATLHPGPXZZZLD-OAQYLSRUSA-N 427.460 2.920 0 40 IFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 9465590 LSENVHKZQXJWCQ-LFPIHBKWSA-N 435.480 2.741 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 9549228 GJSNLQRMARRXJS-LJQANCHMSA-N 431.489 2.510 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccc(F)cc1 9674737 KFQBDQSHXCEMRR-CVEARBPZSA-N 446.236 2.520 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 9704176 QUVCWTOXRRVONE-WHEQGISXSA-N 427.432 2.781 0 40 IFAB CC(C)CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 9747376 SBHOSSWROWMLAV-KRWDZBQOSA-N 443.997 2.552 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cc(OC)c(O)c(OC)c1 10326123 HRPQTKACHQNCIQ-INIZCTEOSA-N 438.436 2.509 0 40 IFAB O=C(CSc1nnc(N2CCCCC2)n1C[C@@H]1CCCO1)NCc1ccc(F)cc1 11431224 DTNZCHFEUVBCJI-SFHVURJKSA-N 433.553 2.995 0 40 IFAB CCCc1ccc(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1 11769924 HEZYFDZPBBQDSC-LJQANCHMSA-N 445.589 2.977 0 40 IFAB COc1cc(CCC(=O)N2CCC[C@@H](c3cc4nc5c(c(O)n4n3)CCCC5)C2)on1 12134756 GQVLAZTUOPTIDW-CQSZACIVSA-N 425.489 2.649 0 40 IFAB COc1ccccc1-n1c(=O)n(CC(=O)Nc2ccc(F)cc2)c(=O)c2c(C)cc(C)nc21 12446440 BZYPAMVEJNJLGY-UHFFFAOYSA-N 448.454 2.951 0 40 IFAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccccc1Br 12914940 CUWAPKMFFSSVAO-QGZVFWFLSA-N 425.348 2.801 0 40 IFAB C[C@]1(C(=O)N(CC(=O)NCc2cccs2)c2ccccc2)CC(=O)N=C2C=CC=CN21 13082987 DUYOTJBEKMMIEB-HSZRJFAPSA-N 434.521 2.871 0 40 IFAB O=C(CCc1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13164056 XERQBKYRGVDZCJ-IBGZPJMESA-N 437.521 2.740 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3CCO)C2=O)c(OC)c1 13573710 YLUNGOQNCORHPK-GZQZNAIASA-N 434.514 2.504 0 40 IFAB COc1cc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc34)NC(N)=N2)cc(OC)c1 13579224 YHJQKHAMPIQDOJ-LJQANCHMSA-N 438.513 2.830 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 13677981 QGJLYRDVWAJBEN-GOSISDBHSA-N 432.542 2.763 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1OC 13696666 IRLLEDPSLROUNG-LJQANCHMSA-N 432.498 2.573 0 40 IFAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4Cl)CC3)cn2)cc1 13807142 IAAQPFMZQLMBHF-UHFFFAOYSA-N 438.915 2.921 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)c1C 14118193 FCLGURIIWJWJHF-UHFFFAOYSA-N 434.540 2.827 0 40 IFAB O=C(NCCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 19342306 YWRWOUPZQLBPPN-QFIPXVFZSA-N 429.542 2.506 0 40 IFAB O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400148 YGTHKJCXUODPDR-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CN(C)c1nc2c(c(N3CCN(c4ccccn4)CC3)n1)CN(Cc1ccccc1)CC2 19585174 UYVDUGXIPJFOHR-UHFFFAOYSA-N 429.572 2.823 0 40 IFAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)c1 19694189 BJLHNRJLZBCOMK-GOSISDBHSA-N 447.539 2.937 0 40 IFAB Cc1cc(NC(=O)CN2CC[C@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)no1 19738860 ALHLDNONDDXFKM-KRWDZBQOSA-N 440.548 2.835 0 40 IFAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN3C(=O)C(C)(C)OC)nc21 19744219 JVAAAEPYUFFZIU-GOSISDBHSA-N 438.528 2.971 0 40 IFAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4ccnn4C)nc32)cc1 19744302 YLLOSJZDPFTIPF-LJQANCHMSA-N 446.511 2.594 0 40 IFAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@H]2[C@@H]1C 20466755 NBWFYASPXYCIKZ-FBHOASSCSA-N 430.589 2.893 0 40 IFAB biogenic,in-vitro CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 22615073 SCPUNCCAVBBECG-HIFRSBDPSA-N 430.530 2.605 0 40 IFAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 22735895 VUXGATRKKRUYMP-UHFFFAOYSA-N 434.584 2.990 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 25984184 RCICOUPVIWHSOA-INIZCTEOSA-N 441.509 2.738 0 40 IFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1nnc(SCc2ccc(F)cc2)s1 27912958 ROKMWKQKSQKZND-UHFFFAOYSA-N 443.489 2.963 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1Br 30501583 DGYGLXAZUSLXRR-NSHDSACASA-N 448.360 2.901 0 40 IFAB CC(C)(C)OC(=O)C(=O)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F 32101437 WVSGZTPOEXDOHI-HNNXBMFYSA-N 437.212 2.978 0 40 IFAB CCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(OC)c(OC)c1 32604125 PQZGTZZKWWMKJK-UHFFFAOYSA-N 441.513 2.812 0 40 IFAB CC(C)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)on1 35286710 BIJWNGYCTFEPII-UHFFFAOYSA-N 446.573 2.622 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@@H]1c1ccccc1 57414287 KSCNIVMWRFIDNT-OAQYLSRUSA-N 440.931 2.943 0 40 IFAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1=O 60346610 VNDDUBRBLRDWAA-OAQYLSRUSA-N 446.960 2.513 0 40 IFAB NC(=O)COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 65591039 YPECTCLBWHBQJP-UHFFFAOYSA-N 432.432 2.577 0 40 IFAB CCn1nc(CC(=O)N2CCC(n3c(=O)oc4ccccc43)CC2)c2ccccc2c1=O 72347849 CYYXABFJBNEYBZ-UHFFFAOYSA-N 432.480 2.731 0 40 IFAB CCOc1ncc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1Cl 95395627 WXKWXMWBCDWZGW-KRWDZBQOSA-N 437.327 2.772 0 40 IFAB Cc1ncsc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 95444182 HCVOKSDAGPAVBR-HOTGVXAUSA-N 436.578 2.819 0 40 IFAB COC(=O)C1=NN(c2ccccc2OC)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101155496 ANGORLZBWOWZGT-AEFFLSMTSA-N 427.844 2.564 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222412430 LLDGCMPPJCGNHM-LJQANCHMSA-N 445.585 2.541 0 40 IFAB COC(=O)C1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)CC1 224284657 NSSUTHLQQQGTRH-UHFFFAOYSA-N 446.525 2.546 0 40 IFAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 225602062 VXEGPYVKFWVVSD-UHFFFAOYSA-N 448.932 2.810 0 40 IFAB COCCC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 257282138 OSLNDGKDVGVLEG-UHFFFAOYSA-N 438.952 2.613 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 260507664 NGWNGSKKJHZIGN-SFHVURJKSA-N 429.542 2.617 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)c1 260812997 OAOQYEXHXWMUBN-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N(CC)CC)S(C)(=O)=O 408602068 CEFADFVQBJFWND-UHFFFAOYSA-N 447.557 2.972 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 408644681 HWRLFRYFWOTGCE-UHFFFAOYSA-N 432.498 2.608 0 40 IFAB CCCN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)OCC)cc2Br)C1=O 409242214 VPOMEZDSDNLOCV-NTUHNPAUSA-N 441.278 2.702 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 409267830 PFBOBBLPPQKYNT-OAHLLOKOSA-N 433.530 2.628 0 40 IFAB Cc1ccc(CNC(=O)c2cccc(CNC(=O)N3CC[S@](=O)C[C@H](C)C3)c2)cc1 1220715431 WWZKTUNZYQPZIO-JJCDCTGGSA-N 427.570 2.835 0 40 IFAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CCC[C@@H]1c1nnc2ccccn12 1565524872 RQEBMOGHCSFOLA-HXUWFJFHSA-N 445.523 2.988 0 40 IFAB Cc1nc(C)c(C(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)s1 1775972780 VMYJWVUBZBSKJG-UHFFFAOYSA-N 425.440 2.569 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1C 2656708 CIRKDIKXDIUKTF-UHFFFAOYSA-N 435.571 2.927 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCC2 3277745 IHENSVFIWUALMR-UHFFFAOYSA-N 449.481 2.845 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccccc3)n2N)c1 3308921 ZRCOBXFRUVAIFO-UHFFFAOYSA-N 445.570 2.664 0 40 IFAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)N4CCOCC4)cc3)ccc12 8888429 RROWEGJCTVHHKL-UHFFFAOYSA-N 437.448 2.696 0 40 IFAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 9125999 DNBFBDKQOGIAIW-FQEVSTJZSA-N 449.960 2.502 0 40 IFAB CCN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 9215808 IIWDOUYSHMKYQW-WMZHIEFXSA-N 438.915 2.676 0 40 IFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H](O)COc1c(C)cccc1C 9282849 FTMSLTXZWYLQJL-KRWDZBQOSA-N 441.528 2.819 0 40 IFAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1 9337037 ZQHVXSJMOXQMRR-UHFFFAOYSA-N 444.495 2.517 0 40 IFAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9416942 ZRKGZFREJUTMJA-UHFFFAOYSA-N 439.465 2.848 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 9596722 POBKULICGYHNSB-UHFFFAOYSA-N 438.509 2.846 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(C)cc2)cc1 9684105 FPLTUCHYWLSBFF-CTNGQTDRSA-N 446.525 2.727 0 40 IFAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 10425179 QIMVJGLERLQZEA-UHFFFAOYSA-N 429.908 2.819 0 40 IFAB CSc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071646 ZRCMMRDIWJOOOL-UHFFFAOYSA-N 437.500 2.932 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)c3cccnc3)CC2)on1 12133117 DYFMCZLNFQUIHS-UHFFFAOYSA-N 447.543 2.607 0 40 IFAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 12444336 IDXMYTVLIWTYHP-UHFFFAOYSA-N 449.471 2.985 0 40 IFAB COc1ccc2c(C)cc3nnc(SCC(=O)NCC(C)(C)N4CCOCC4)n3c2c1 12521758 GRFALXNAIYVMRI-UHFFFAOYSA-N 443.573 2.519 0 40 IFAB COc1ccc(COC[C@H](O)CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC 12553561 YBEGXPJEDNZIKW-HXUWFJFHSA-N 446.519 2.745 0 40 IFAB NC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c2ccccc2O1 12608366 SJPDPHYNFUOECA-NRFANRHFSA-N 430.464 2.630 0 40 IFAB Cc1ccnc2nc(C(=O)N(Cc3ccccc3)Cc3nc4ccccc4c(=O)[nH]3)nn12 12882042 MKWZZXAVJVYFSX-UHFFFAOYSA-N 425.452 2.512 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@H]1c1ccc(OC)cc1 13039344 PHKWQCLAICURPS-IFMALSPDSA-N 434.500 2.999 0 40 IFAB COc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 13058817 CIZFFBNPKBCLIQ-UHFFFAOYSA-N 425.938 2.669 0 40 IFAB COc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl 16291336 GMJGJDAIMROFGP-UHFFFAOYSA-N 442.921 2.933 0 40 IFAB Cc1ccc(CN2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 16695077 SUIJCACNBZHWGM-IBGZPJMESA-N 439.943 2.982 0 40 IFAB Cn1ncc2c1CCc1sc(N(C[C@@H]3CCCO3)C(=O)c3c(Cl)cnn3C)nc1-2 19289571 IYNOGOWQTDOUJB-NSHDSACASA-N 432.937 2.855 0 40 IFAB CCN1CCN(C(=O)CCn2cnnn2)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527515 HXRLMQRAZOZACW-QFIPXVFZSA-N 446.555 2.588 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H](C1CCN(C(=O)[C@H]3CCOC3)CC1)C[C@@H]2C(F)(F)F 19530957 WVAAYTMNFOYDTF-CWRNSKLLSA-N 444.454 2.623 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H](c3c(C)c(=O)nc4n3CCC4)C2)cc(OC)c1OC 19554848 BLIHKNOVFAFNLU-OAHLLOKOSA-N 427.501 2.544 0 40 IFAB Cc1cc(C)n(CCCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)n1 19574017 BNLXHLOVYLBRTK-UHFFFAOYSA-N 426.546 2.893 0 40 IFAB CCN(CC)S(=O)(=O)N1CCCC[C@@H]1c1nc(C)ncc1C(=O)NCc1ccccc1 19767021 PTJZDEOHBXDLLT-HXUWFJFHSA-N 445.589 2.829 0 40 IFAB CN(C)C(=O)[C@@H]1CN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)c2ccccc2O1 21477938 MERHETXLNWGKGB-NRFANRHFSA-N 434.496 2.927 0 40 IFAB CCc1noc(C)c1C(=O)OCC(=O)NCC(=O)Nc1ccc(Br)cc1C 21512566 JAJCORAWLDWKIP-UHFFFAOYSA-N 438.278 2.528 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)c1ccc2c(c1)OCCO2 24067317 FYBNOXKYJXCUMG-USGALAMMSA-N 429.517 2.772 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)CC1 26119047 QHEYHVAQOCSGTJ-UHFFFAOYSA-N 425.620 2.607 0 40 IFAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3cccc(OC(F)(F)F)c3)cc2)C1 32084892 STQZNSZHKVBGBE-LLVKDONJSA-N 444.387 2.824 0 40 IFAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H](CO)c3ccccc3)CC2)cc1 36584820 ZGFFZQYJKHFUMH-RKOYOZNISA-N 446.569 2.630 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCC(c2ccc(O)cc2)CC1 58016654 DWNIACITKQPTCW-UHFFFAOYSA-N 429.542 2.594 0 40 IFAB Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)N2CCCC2)o1 58307633 VKUNGYINBAMXCC-IEBWSBKVSA-N 439.512 2.665 0 40 IFAB Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)cc1NS(C)(=O)=O 60167972 RAEIZTZBTFXUJG-UHFFFAOYSA-N 425.501 2.849 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 67286548 QRSHHQMFOIMORK-NRFANRHFSA-N 443.544 2.695 0 40 IFAB COc1cc2c(cc1OC)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n1nc(C)nc21 69350506 KRBIKCPFZLFXSA-UHFFFAOYSA-N 427.848 2.662 0 40 IFAB COc1ccccc1CCNC(=O)[C@H]1CCCN(c2cc(-n3nc(C)cc3C)ncn2)C1 70656070 GNKJSDWPUSKFOB-FQEVSTJZSA-N 434.544 2.863 0 40 IFAB Cn1c(=O)c2ccc([C@@H]3CCCN3Cc3ccncc3)nc2n(Cc2ccccc2)c1=O 72373397 BYGFPRFBBOUJNX-QFIPXVFZSA-N 427.508 2.876 0 40 IFAB COc1cc(C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)c2ccccc2n1 72392496 IKKCLPDJQYTKRY-UHFFFAOYSA-N 432.527 2.518 0 40 IFAB Cc1ccc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)c(Br)c1 96105244 VVJAXLOTIUUSPU-UHFFFAOYSA-N 442.321 2.983 0 40 IFAB O=C([C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCN(c2ccc(F)cc2)CC1 96344334 MCOJHEKHIQNOMR-AWEZNQCLSA-N 425.439 2.543 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C(=O)N1CCCCCC1 113939858 PZQVMQOZJVHKLJ-UHFFFAOYSA-N 431.514 2.611 0 40 IFAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc2c(OC)n(C)nc2c1 206799224 UWIJVAFDRWHBEB-KBXCAEBGSA-N 427.432 2.556 0 40 IFAB COC(=O)c1cn(C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c2ccccc12 222615884 ICOVMFRTNPMIHB-UHFFFAOYSA-N 433.461 2.520 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2nnc(SC(C)C)s2)Oc2ccccc21 222882476 QBNFSMOMYUMNIR-ZDUSSCGKSA-N 428.561 2.594 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1CCN1CCOCC1 223133493 PEXWSBABAYVLJL-DHIUTWEWSA-N 448.596 2.631 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225467539 FTXCUTVNHWYYBJ-QGZVFWFLSA-N 432.542 2.680 0 40 IFAB COc1ncccc1C(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O 257335816 YLZSINSTCORBSI-AWRGLXIESA-N 425.529 2.540 0 40 IFAB CCOC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)sc2c1CCC2 408630369 SNDZYLHEZNOMCR-UHFFFAOYSA-N 440.518 2.957 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408655387 CTWDJEGXNIZNQF-SYNMBVLASA-N 444.487 2.587 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408658716 LOTDTXQBEBXWEK-VCXDHIOWSA-N 425.268 2.506 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)ccc3C)CC2=O)c(OC)c1 408671768 UPZZEPKTUCHKQH-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB COc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1F 408678958 LIFHZRYRJZALIA-UHFFFAOYSA-N 443.503 2.892 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCOC(C)C)cc1 409389277 PKBZPOUTKAOUCM-UHFFFAOYSA-N 448.585 2.860 0 40 IFAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 552960320 MJAYHIJUKPPSQU-KZNAEPCWSA-N 435.509 2.506 0 40 IFAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cccc(F)c3)CC1)CC(=O)N2CC1CC1 1772596518 PAXIWZMHOGYSGO-UHFFFAOYSA-N 432.521 2.657 0 40 IFAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O 1461412 ZQUHIZNGLHHKTL-ZDUSSCGKSA-N 442.855 2.961 0 40 IFAB COc1ccc(Br)c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 8755316 SHNWYTATRXHAEK-UHFFFAOYSA-N 443.319 2.969 0 40 IFAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)N[C@@H]1CCS(=O)(=O)C1 8862486 NHDXQTQIOXIBEW-CYBMUJFWSA-N 437.543 2.893 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 8936941 ZLMNOZSBTRANAG-VBKZILBWSA-N 448.466 2.976 0 40 IFAB CCCn1c(C)c(C)n2c3c(=O)n(CC(=O)c4ccc(Cl)cc4)c(=O)n(C)c3nc12 9297298 MTFMNTYVEIFZPD-UHFFFAOYSA-N 427.892 2.713 0 40 IFAB CCC(=O)N(c1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)s1)C1CC1 9376489 GCLIZSOMMZXZKG-UHFFFAOYSA-N 433.559 2.983 0 40 IFAB CCn1c(CSc2nnnn2C2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 9714893 OQSFBPWNGZLNQE-UHFFFAOYSA-N 435.579 2.700 0 40 IFAB C[C@@H]1CCCCN1C(=O)CSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974332 YPHBXCHRSYBWOA-CYBMUJFWSA-N 448.520 2.634 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCOCC1 10543935 WZYGSYGIPANTFI-KRWDZBQOSA-N 432.542 2.824 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 10843335 SDFQGOGASJKNMY-UHFFFAOYSA-N 440.338 2.648 0 40 IFAB O=C(NCCCOc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11355067 YTSPBNGYTGTIGG-UHFFFAOYSA-N 438.496 2.951 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030660 NVLMTXRGJFJDIM-INIZCTEOSA-N 447.456 2.919 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237201 FBOFANSPAATHDF-SZNDQCEHSA-N 436.468 2.970 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnc2sccn2c1=O 12692234 YSUGUDMQBPVGST-UHFFFAOYSA-N 432.527 2.573 0 40 IFAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccccc1I 12980166 ITZATPBMORTFMX-UHFFFAOYSA-N 433.271 2.593 0 40 IFAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)C1=O 13690336 DXCFFABURCICRS-UHFFFAOYSA-N 428.919 2.843 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)c1 13696655 GSVDWJVBENQUJJ-IBGZPJMESA-N 432.498 2.573 0 40 IFAB Cc1nc(C(=O)N2CCN(c3cccc4c3C(=O)N(Cc3ccccn3)C4=O)CC2)cs1 14980616 DAQIANYVFUZGKP-UHFFFAOYSA-N 447.520 2.605 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 15391545 VWDJEFMPEPJUCN-LJQANCHMSA-N 443.569 2.869 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(Cl)cc1Cl 15752107 MQCMEISPZKFWFA-JTQLQIEISA-N 441.292 2.847 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 17751876 BNQWFBYQJUWALC-LWYYNNOASA-N 435.867 2.946 0 40 IFAB Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)cc1 19135698 RPPHNTCDRIWCSO-QFBILLFUSA-N 434.540 2.905 0 40 IFAB Cc1ccccc1-c1noc([C@@H]2CN(S(=O)(=O)CCOc3ccccc3)CCO2)n1 19237518 ONJIYTMIMOQZTD-IBGZPJMESA-N 429.498 2.827 0 40 IFAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)c3cccc(C)c3OC)CC2)n1 19697483 VYMLKVCVVJKBRJ-KRWDZBQOSA-N 437.544 2.801 0 40 IFAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)s1 19697660 PIUUKCKGHZNWBR-OAHLLOKOSA-N 445.566 2.910 0 40 IFAB CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)nc2c1CCN(C)C2 19710892 OAEWQYAMIJTMRP-OAHLLOKOSA-N 427.524 2.819 0 40 IFAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC[C@H]1c1ncc(C(N)=O)c(C)n1 19755183 LKXPHEZRSOFRCI-INIZCTEOSA-N 432.546 2.716 0 40 IFAB CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)C1 20463328 MRMPMRXKEJDASV-OALUTQOASA-N 434.556 2.869 0 40 IFAB biogenic,in-vitro O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 20732285 QSBYFMYYMPNUIS-LJQANCHMSA-N 433.917 2.954 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(C)ccc2OC)cc1 22227667 SQOIYJAEQVONAI-UHFFFAOYSA-N 440.587 2.555 0 40 IFAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)cn2C 22237390 XWXNHWARIJCMSU-UHFFFAOYSA-N 438.436 2.763 0 40 IFAB CC1CCN(C(=O)COc2coc(CN3CCN(Cc4ccccc4)CC3)cc2=O)CC1 22852796 BAMGLCVETGFANY-UHFFFAOYSA-N 439.556 2.595 0 40 IFAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 25106476 GITRDNKLEITCFL-KRWDZBQOSA-N 432.542 2.858 0 40 IFAB O=C(NCCSC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 25245494 NOXOCYYJASPHHC-UHFFFAOYSA-N 432.995 2.767 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)Oc2ccccc21 26112898 XBJABGCPKKMYFV-QFIPXVFZSA-N 443.569 2.569 0 40 IFAB Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)c4ccccc4Cl)CC3)nc12 28556922 NQUDYVLOZGNGDR-UHFFFAOYSA-N 428.924 2.635 0 40 IFAB O=C(COc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12)NC1CC1 28616762 WMZNKZYARVIUCH-UHFFFAOYSA-N 430.555 2.909 0 40 IFAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)c1ccc2c(c1)CCCC2 32615744 MPAKYBAAVOETAV-UHFFFAOYSA-N 426.476 2.715 0 40 IFAB O=C1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)CN1CCc1ccccc1 32676087 MLUSKKPHYPJWNG-IBGZPJMESA-N 439.943 2.716 0 40 IFAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1 35289870 BHOYBTDQXRBNDS-HSZRJFAPSA-N 436.560 2.857 0 40 IFAB Cc1sc2nc(CN3CCC(C)CC3)nc(NCCCNS(C)(=O)=O)c2c1C 36730611 ALEYEODMPYSMNU-UHFFFAOYSA-N 425.624 2.891 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 38848966 VAVSMDIPHIXYRF-LJQANCHMSA-N 438.933 2.625 0 40 IFAB CCOC(=O)c1cn[nH]c1S(=O)(=O)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 40087759 OTMKCTMQIBBWTQ-ZDUSSCGKSA-N 425.507 2.669 0 40 IFAB COC(=O)C1(NS(=O)(=O)c2cc(Br)ccc2Br)CCCC1 57991049 JSWVDJCYQPLNOC-UHFFFAOYSA-N 441.141 2.976 0 40 IFAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1CCO 67300995 HYXDJHOSYRSXET-UHFFFAOYSA-N 443.906 2.905 0 40 IFAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1c(C)nn(Cc2ccccc2)c1C 71286043 BVJBITFNSZNKNP-SFHVURJKSA-N 426.469 2.784 0 40 IFAB CNC(=O)c1cnc([C@@H]2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)C2)nc1C 72351986 ORWUMVWBWJIPPI-GOSISDBHSA-N 449.511 2.958 0 40 IFAB CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)CC1 78680167 CQJIGPOAHHTBDW-FGZHOGPDSA-N 428.621 2.545 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2[S@@](=O)CC)cc1 79049688 YZMHUSFEMXWLAV-DIZBVRTESA-N 440.631 2.926 0 40 IFAB Cn1cc(C(=O)N2CC(=O)N(Cc3ccccc3)C2)c(-c2ccc3c(c2)OCCCO3)n1 89749842 PGDWJGGNAWDTCW-UHFFFAOYSA-N 432.480 2.691 0 40 IFAB O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1ccc2c(c1)OCCO2 90582789 PBKOJKPZWWFKOC-UHFFFAOYSA-N 440.481 2.756 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)Nc1c[nH]nc1-c1ccccn1 95461124 INZOQPAVQZAMHW-UHFFFAOYSA-N 439.497 2.765 0 40 IFAB CCC(=O)N1CCc2nc3cc(C4CCN(C(=O)c5cccs5)CC4)nn3c(O)c2C1 100242798 AIAASYSEWJJMKB-UHFFFAOYSA-N 439.541 2.811 0 40 IFAB CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2O1 219990577 LZLQCBSEGTUHLA-IBGZPJMESA-N 430.526 2.740 0 40 IFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2cccc(Cl)c2)s1 224093187 BJSAWYVXYLQBFX-UHFFFAOYSA-N 434.996 2.998 0 40 IFAB CCCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)s1 224666143 BDGXMCQKNOBHPW-UHFFFAOYSA-N 430.577 2.988 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)c1 225484111 SOEXZZBISXBAJP-AWEZNQCLSA-N 438.571 2.924 0 40 IFAB O=c1[nH]nc(CC2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1-c1ccccc1F 225545282 UYIHYGSUTBWCTK-NTCAYCPXSA-N 442.516 2.955 0 40 IFAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 230059567 MAFUZSHVZRATHQ-CVEARBPZSA-N 444.340 2.871 0 40 IFAB CN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 257273266 NFXHGBTZVLFVTI-HSZRJFAPSA-N 445.571 2.795 0 40 IFAB O=C(C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCOCC1 257325335 WSNXZXKHGBRRCV-YJBOKZPZSA-N 449.960 2.955 0 40 IFAB Cc1ccc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccncc4)C3=O)C2)o1 306138349 RVLKSVDXIFQHRO-YADARESESA-N 433.512 2.765 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408672459 ZEZBYWRSVCNFDE-HDICACEKSA-N 434.448 2.946 0 40 IFAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1OC 409153470 LUDUIWCKYQAFAR-UHFFFAOYSA-N 425.514 2.967 0 40 IFAB C[C@@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)C(=O)Nc1cccc(N2CCCC2)c1 510581841 AJSKUFMVWAIDOG-MRXNPFEDSA-N 436.516 2.965 0 40 IFAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)N1CCc1ccccc1 1775964071 QITQGGUVLWUFGQ-SFHVURJKSA-N 444.488 2.593 0 40 IFAB biogenic,in-vitro CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 4897679 ZELKDIAQANIUDA-OAQYLSRUSA-N 426.492 2.686 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6073795 YDIZVMJXLOHKNT-SFHVURJKSA-N 425.466 2.921 0 40 IFAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2=O 8231746 BQIRVOBPIDMCNS-PSLXWICFSA-N 426.517 2.654 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N(C)Cc3ccc(OC)c(OC)c3)CC2=O)c(OC)c1 9257738 RJOQMCWWTOCMTB-MRXNPFEDSA-N 428.485 2.733 0 40 IFAB O=C([C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccc(F)cc2)CC1 9421612 WFMRHKBETAPRNR-CQSZACIVSA-N 443.914 2.711 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 9539793 DNJLRCXYJNCJMA-UHFFFAOYSA-N 448.925 2.609 0 40 IFAB COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC 9661057 RYPIJNDZWPJRGM-UHFFFAOYSA-N 449.916 2.559 0 40 IFAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1Cc1ccc(Br)cc1 9748937 IXXDGYHKLSDLRL-UHFFFAOYSA-N 430.262 2.695 0 40 IFAB COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ncccn5)CC4)nc3C2)c(OC)c1 10157309 VPHJHGWFAMKILU-MRXNPFEDSA-N 446.511 2.523 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2OC)n2nnnc2N1 10231925 JGWTYWWSUBOKHM-QGZVFWFLSA-N 425.832 2.660 0 40 IFAB COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CSc2nccn2C)cc1=O 10254713 VHTBRYOJIBCGEV-UHFFFAOYSA-N 426.498 2.724 0 40 IFAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Br)cc1 10913496 WUIFXYSXSGZYKL-LLVKDONJSA-N 430.258 2.799 0 40 IFAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(Cl)cc3)nnc1n2CCc1ccccc1 10969698 RXZPNZMDTGPOAI-UHFFFAOYSA-N 434.887 2.645 0 40 IFAB O=C(Nc1nnc([C@@H]2CCCO2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10971412 OILVTCDJTDPIGE-NSHDSACASA-N 446.938 2.675 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030655 NVLMTXRGJFJDIM-MRXNPFEDSA-N 447.456 2.919 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)nc4ncccc34)C2)cc1 12254049 DJMYMENURFSYTC-INIZCTEOSA-N 425.514 2.860 0 40 IFAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cnc21 12817728 NJVOBSLDTYNRGR-UHFFFAOYSA-N 444.211 2.940 0 40 IFAB Cc1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C 19131694 HUFOCMOBHKNYNG-INIZCTEOSA-N 448.401 2.976 0 40 IFAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4snnc4C)CCO3)c2)cc1 19212705 LEZXOZDNQYNESA-QHCPKHFHSA-N 436.537 2.761 0 40 IFAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 19376193 OFVFTOOQRLSWDS-RTBURBONSA-N 429.524 2.967 0 40 IFAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4ccccc4OC)C[C@H]23)cc1 19557764 RUVHOZFQWCLXNH-YPAWHYETSA-N 430.570 2.953 0 40 IFAB Cc1nccn1CCC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19692677 KSHLBTAHDWOCNX-HXUWFJFHSA-N 438.507 2.844 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccn2)CCC3)C1 19752633 DAAWAAXCQLBPSF-GOSISDBHSA-N 429.590 2.704 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2cccc(C)c2C)c1=O 20611070 UCMVSRRRJARWJC-NRFANRHFSA-N 432.480 2.573 0 40 IFAB biogenic CCOc1ccccc1NC(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 21151146 JOGUCVKIZWAELZ-UHFFFAOYSA-N 443.458 2.689 0 40 IFAB CC(C)(C)NC(=O)CN1CCCN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 22789975 QEZSEJXFPFGLBH-QHCPKHFHSA-N 442.629 2.876 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)c1ccc3c(c1)OCO3)CSC2)NCc1ccco1 23139291 QPWYBCSYCACWLN-UHFFFAOYSA-N 426.454 2.520 0 40 IFAB O=C(c1cccnc1OCC(F)(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1 24865763 RVEUIKDECJSBNC-UHFFFAOYSA-N 449.476 2.667 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 25413179 AIQCLBAMLXOMSL-WMLDXEAASA-N 448.416 2.995 0 40 IFAB COc1cc(CCC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc(OC)c1OC 29085295 MRJYGMNEDNHLKN-FQEVSTJZSA-N 428.529 2.835 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@H]1c1ccc(C)o1 31741101 GIHZXSITMGLTLA-SFHVURJKSA-N 442.859 2.823 0 40 IFAB CN(Cc1ccccc1)C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O 36357272 OBXCUMPLTYJHMT-UHFFFAOYSA-N 447.535 2.999 0 40 IFAB COc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1OC 40086858 VJVJITQNHQHHTO-UHFFFAOYSA-N 449.573 2.532 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)COc1coc(CN3CCCCC3)cc1=O)CC2 49543654 VGWCXJKEMIUARB-UHFFFAOYSA-N 442.512 2.607 0 40 IFAB biogenic C[C@H](CCc1ccccc1)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 49548167 BEQLFJKKXMIGCR-OAQYLSRUSA-N 445.567 2.707 0 40 IFAB CC1CCN(C(=O)Cn2nc3c(-c4nc(-c5cccc(F)c5)no4)cccn3c2=O)CC1 57504186 QCHBPQXWKDBFNQ-UHFFFAOYSA-N 436.447 2.611 0 40 IFAB CCN(C(=O)[C@H](C)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 58224064 HVICZUBDHPJTFV-KRWDZBQOSA-N 447.557 2.570 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 58441662 JNQKBVZTZVQWAL-VQIMIIECSA-N 433.911 2.694 0 40 IFAB CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC(=O)O)[C@H]21 67665319 QARPWNSGRMMWII-MKHYKQMYSA-N 438.561 2.831 0 40 IFAB in-vitro Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(Cc3ccncc3)C2)on1 72338471 LEVSGIYQXXCIFV-FQEVSTJZSA-N 433.560 2.966 0 40 IFAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338877 HAYJUXPSUXBFMO-HXUWFJFHSA-N 428.489 2.889 0 40 IFAB C[C@@]12CCCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)[C@H]1CCc1cncnc12 72342442 RIVLRGQXHATFPL-NZQKXSOJSA-N 440.569 2.915 0 40 IFAB CCN1CCN(C(=O)Cc2nnc(N)s2)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351809 GWYRWGVFCCQRSB-LJQANCHMSA-N 435.553 2.632 0 40 IFAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 79072368 DIWVGHYOBDFRGF-HUUCEWRRSA-N 432.546 2.681 0 40 IFAB O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 84374359 CLHCJZAENDDGNJ-CQSZACIVSA-N 427.309 2.902 0 40 IFAB CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 95458132 HPAGTDHZHSJOPE-LHSJRXKWSA-N 436.505 2.589 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)C(=O)c1ccc(OC)cc1 96518576 ZIOGMBFHMMHETH-NSHDSACASA-N 447.088 2.796 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(F)cc1 101228633 NIYLGXYPKDADMD-XMFZQDBWSA-N 447.462 2.970 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3nccs3)CC2)cc1 101507102 WDPWLCFRBXRGFT-GASCZTMLSA-N 436.559 2.825 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 138882817 BGCPTNVQJJPEDH-AWEZNQCLSA-N 430.844 2.661 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220444116 ZLLJGQRNMBKXMY-LBPRGKRZSA-N 426.441 2.935 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)cc1 220490784 RWFWUIFYPPIYBD-CQSZACIVSA-N 432.477 2.655 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222980699 BYLDOJPCJSWNCA-NRFANRHFSA-N 445.585 2.623 0 40 IFAB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224824046 CRSIZEZQZTWXPP-UHFFFAOYSA-N 442.287 2.589 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4cccc(C)c4)no3)ccc21 225699514 JKJGZTVCGAVJNX-UHFFFAOYSA-N 430.511 2.920 0 40 IFAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 260918171 LDRRJZXOJFWYJH-HBGVWJBISA-N 428.558 2.988 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4ccccc4F)C[C@@H]2C3)cc1 306135606 OVVAGIPZXWJUCT-GJZGRUSLSA-N 435.459 2.623 0 40 IFAB COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 306143118 XTOYAZDHDAFPOQ-YADHBBJMSA-N 449.642 2.773 0 40 IFAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 514290102 SWCISLDMDJFEQM-REWPJTCUSA-N 445.922 2.513 0 40 IFAB biogenic,in-vitro O=C(Cn1cnc2c(N3CCCCC3)nc(Cl)nc21)NC[C@@H]1CCCN2CCCC[C@H]12 524732260 YUDSSZHGDFLSOG-DLBZAZTESA-N 445.999 2.851 0 40 IFAB biogenic O=C(Nc1nc(C2CCOCC2)cs1)C1(S(=O)(=O)c2ccccc2)CCOCC1 554776402 XCSGWICPNHARIQ-UHFFFAOYSA-N 436.555 2.999 0 40 IFAB CN1c2ccc(F)cc2N(CCNC(=O)c2cccc(OC(F)(F)F)c2)S1(=O)=O 575611980 JMZKRZYJXKLDTO-UHFFFAOYSA-N 433.383 2.655 0 40 IFAB CS(=O)(=O)N1CCC(c2nnc3sc(COc4ccccc4Cl)nn23)CC1 1501040183 DBTCHCOYUCNSNA-UHFFFAOYSA-N 427.939 2.557 0 40 IFAB COc1ccccc1NC(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972821 XHUHHCDNAYQTOE-UHFFFAOYSA-N 435.410 2.896 0 40 IFAB COc1ccc(CCn2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 1444033 FDSWPOIKTIGTOE-UHFFFAOYSA-N 429.480 2.605 0 40 IFAB Cc1nn(CCCNC(=O)CCn2cc(Br)c(C)n2)cc1Br 2805190 AFIXXHFCPJCDSV-UHFFFAOYSA-N 433.148 2.818 0 40 IFAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)Nc1ccc2c(c1)OCO2 3361792 BMTDCNRFSRTYMZ-UHFFFAOYSA-N 432.429 2.977 0 40 IFAB CCC[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433759 PCSFJKLTFVAJGT-KRWDZBQOSA-N 444.553 2.895 0 40 IFAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 8692797 JYYPSYNMAPZBIT-KPKJPENVSA-N 444.509 2.675 0 40 IFAB CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 8924856 AMDKBGAYUPCYEF-YWZLYKJASA-N 442.537 2.978 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC(C)C 9186372 XETHEVMKXOHDGK-YRNRMSPPSA-N 435.615 2.798 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)sc2c1CCC2 9539941 YDBGRJBTUJMRGH-UHFFFAOYSA-N 433.530 2.853 0 40 IFAB Cc1ccc2c(COC(=O)CCCNC3=NS(=O)(=O)c4ccccc43)cc(=O)oc2c1 9787302 ZKXWOKQFWRSZFV-UHFFFAOYSA-N 440.477 2.664 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5ccccc5)c(=O)n(C)c4nc23)c(OC)c1 9829394 NBCVAODGGWNNPF-UHFFFAOYSA-N 445.479 2.513 0 40 IFAB COc1ccccc1CNC(=O)CCc1nnc2n(CC(C)C)c(=O)c3ccccc3n12 9968898 OZZRDFJTRXQRRT-UHFFFAOYSA-N 433.512 2.958 0 40 IFAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1Cn1nc(-c2ccc(F)cc2)oc1=O 10423058 CSNYTJFFNCTEST-UHFFFAOYSA-N 435.433 2.688 0 40 IFAB COc1ccc(NC(=O)CN2CCN(c3nccn3-c3ccccc3F)CC2)cc1OC 11695778 KOZFGTHTTQSDLR-UHFFFAOYSA-N 439.491 2.789 0 40 IFAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030571 LMBLHNNRNNKNEN-CQSZACIVSA-N 431.894 2.692 0 40 IFAB O=C(CSc1nnc2ccccn12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12533031 IOPJDNUPSQFUMI-UHFFFAOYSA-N 431.543 2.635 0 40 IFAB Nc1nc(COC(=O)Cn2cnc3ccccc3c2=O)nc2sc3c(c12)CCCCC3 12723509 XGXYYVJTFMYKPK-UHFFFAOYSA-N 435.509 2.996 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@H](C)Oc2ccccc2)NC(=O)N[C@H]1c1cccs1 12804785 URJAHKXTDAFIAK-ACJLOTCBSA-N 430.482 2.930 0 40 IFAB O=S(=O)(Cc1ccccc1)NCc1cccc(CNS(=O)(=O)Cc2ccccc2)c1 12805654 QOYKKXXKJAKFEK-UHFFFAOYSA-N 444.578 2.926 0 40 IFAB COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc(OC)c1OC 12880518 VXSWLBQHGJWQFR-CMDGGOBGSA-N 426.469 2.837 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 12910905 HTPHNTSNBWBQEB-QGZVFWFLSA-N 436.555 2.560 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1cc(Cl)ccc1Cl 12930723 VQGLXRVLGSFPHY-XCLFUZPHSA-N 437.279 2.963 0 40 IFAB NC(=O)C1CCN(Cn2nc(-c3ccc4c(c3)OCO4)n(-c3ccccc3)c2=S)CC1 13063486 RKRDTCKPIBEJNQ-UHFFFAOYSA-N 437.525 2.954 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCSc1ccc(C)cc1)c1ccc2c(c1)OCO2 14396169 MXWREFBVFDWMEO-UHFFFAOYSA-N 436.555 2.788 0 40 IFAB CN(Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)S(C)(=O)=O 14401236 CXJSYXZJHCHJIS-UHFFFAOYSA-N 427.320 2.858 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 14425243 HDEKFOHNXXREBZ-SFHVURJKSA-N 429.542 2.703 0 40 IFAB O=C(C1=NN[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12)c1ccc2ccccc2n1 16034323 UGDMUQYECPGTMW-AEFFLSMTSA-N 438.365 2.954 0 40 IFAB COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 16954179 GPHXGSWPXBLHQK-UHFFFAOYSA-N 442.859 2.805 0 40 IFAB COc1cccc2[nH]c(C(=O)N3CCN(Cc4cc(-c5cccnc5)nn4C)CC3)cc12 19289031 PZCCBGYDWINISE-UHFFFAOYSA-N 430.512 2.930 0 40 IFAB COc1cccc2c1OC[C@H](C(=O)N[C@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)C2 19445563 OLYYDILLHPHVSE-IERDGZPVSA-N 434.496 2.905 0 40 IFAB COc1cccc(-c2noc([C@H]3CN(S(=O)(=O)CCOc4ccccc4)CCO3)n2)c1 19566788 SVQTXASPYAMLEB-LJQANCHMSA-N 445.497 2.527 0 40 IFAB CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCN(C(=O)c4ccco4)C3)n2)CC1 19590119 RBOCOPIILLJGHW-LJQANCHMSA-N 432.528 2.903 0 40 IFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)Cc3c[nH]c4ccccc34)nc21 19697993 VIOJIVSTUYTGOP-UHFFFAOYSA-N 435.528 2.783 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)c1C 22791254 UBEQUWOLBSGMLC-UHFFFAOYSA-N 447.583 2.700 0 40 IFAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 23845672 UYPQOGCDKYRAEW-UHFFFAOYSA-N 440.529 2.523 0 40 IFAB CN1CCN(C(=O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 23935296 VSUPSRCLWMISCW-UHFFFAOYSA-N 437.569 2.506 0 40 IFAB COc1cc(C)c(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1OC 24511846 PXTFXTODWKBTSL-UHFFFAOYSA-N 432.542 2.596 0 40 IFAB CCOc1ccc(CN2CCN(S(=O)(=O)c3cc(NC(C)=O)ccc3C)CC2)cc1 24712790 CILHKINCIBKQBN-UHFFFAOYSA-N 431.558 2.859 0 40 IFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N3CCCC3)c1)CS2 24761159 CHDDOQBFQAKASW-RDTXWAMCSA-N 443.978 2.517 0 40 IFAB COc1ccccc1C(=O)c1c(NC(=O)CN(C)CC(=O)N(C)C)sc2c1CCCC2 25794279 OPLKGVLKWAEBLK-UHFFFAOYSA-N 443.569 2.825 0 40 IFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCc4[nH]c5ccccc5c4C3)cc(C3CC3)nc21 32460226 TXIWOXRXKZQZEN-UHFFFAOYSA-N 429.480 2.662 0 40 IFAB COc1ccc(CCNC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325374 QUPBSWKIBVGNJH-INIZCTEOSA-N 445.566 2.952 0 40 IFAB CCOC(=O)/C=c1\s/c(=C/c2ccc(C)cc2)c(=O)n1CC(=O)c1ccc(Cl)cc1 33692146 UJDUTNURFAZBDT-STLXZYOISA-N 441.936 2.927 0 40 IFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCCc2ccccc21 34700745 XLKOIRVCQQSCRO-FLSMSTFGSA-N 426.538 2.915 0 40 IFAB NC(=O)C1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccccn4)n3)cn2)CC1 35425348 MXOGVGDORZVFLU-IBGZPJMESA-N 433.516 2.565 0 40 IFAB biogenic,in-vitro COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)C[C@@H]2CCS(=O)(=O)C2)C3)cc1 36719603 BZNSTISJBPZJRT-ZYSHUDEJSA-N 444.557 2.604 0 40 IFAB Cc1ccc(-c2cc3c4nn(CC(=O)NCc5ccccc5)c(=O)n4ccn3n2)cc1C 38487228 YFFXSSQVCYWETI-UHFFFAOYSA-N 426.480 2.744 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1cccc(F)c1 40477166 FQHNYWYTHKUWFJ-UHFFFAOYSA-N 446.364 2.833 0 40 IFAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO 57774448 IJQKWVHSIMOULQ-IGKWTDBASA-N 439.556 2.831 0 40 IFAB O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 58016973 MVDVIDLVGFGFER-NRFANRHFSA-N 446.536 2.639 0 40 IFAB CCn1c(CN(C)Cc2ccc(OC)cc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 58160642 PHHRKPSXGUJXQS-UHFFFAOYSA-N 446.573 2.956 0 40 IFAB CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccccc1NC(=O)c1cccs1 58217916 IQGKCDGTAKALJZ-SFHVURJKSA-N 428.558 2.673 0 40 IFAB COc1cccc(-c2cc3c(N4CCC(C(N)=O)(N5CCCCC5)CC4)nccn3n2)c1 67284840 WMCOLBOHHVCAND-UHFFFAOYSA-N 434.544 2.715 0 40 IFAB COCCOc1ccc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395693 OCNBLQONXHBOAN-ZWKOTPCHSA-N 435.475 2.846 0 40 IFAB Cc1cccc(NC(=O)CSCC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)c1 89672801 SAYZTILPRFANKF-GCJKJVERSA-N 429.517 2.894 0 40 IFAB C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 95454650 LSTGZMIGYBXFES-DZGCQCFKSA-N 426.510 2.733 0 40 IFAB Cc1cn2c(=O)c(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)cnc2s1 95458717 QCGCAXWUWQWEFM-UHFFFAOYSA-N 432.933 2.555 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@H](C)n3nc(C)c4ccccc4c3=O)cc2n1 100138998 DADYXMRFNVFNLL-HNAYVOBHSA-N 432.484 2.686 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)CCCn3cnc4ccccc4c3=O)cc2n1 100139102 USEUWEALGNUSQP-HXUWFJFHSA-N 446.511 2.851 0 40 IFAB O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 206680655 VMAHYOOREKZXMQ-UHFFFAOYSA-N 449.488 2.662 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 216304930 IXAMQDIGXCBHCB-UHFFFAOYSA-N 431.514 2.617 0 40 IFAB COc1cccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 223664714 MRLKYVSGCJEABO-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1cc(Cl)ccc1OC 225354019 VOQOJYNVSFIOQW-HIFRSBDPSA-N 443.880 2.871 0 40 IFAB O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3cccc(Cl)c3)C1)C2 306133599 MQLSQNDOKIVZPZ-HSZRJFAPSA-N 444.963 2.814 0 40 IFAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C 408704097 JNOOTHACCVULIB-UHFFFAOYSA-N 448.497 2.695 0 40 IFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 539599089 FBNQXHVKZJTMKT-MRXNPFEDSA-N 446.960 2.629 0 40 IFAB CN(Cc1cccnc1)C[C@H]1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)CO1 585104918 XFWYNMIKMWUFLC-JOCHJYFZSA-N 429.586 2.915 0 40 IFAB CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3(C)C)ccc2c1=O 1597415600 SCPDPSODOCQLAF-MRXNPFEDSA-N 430.505 2.640 0 40 IFAB O=c1c2ccc(F)cc2ncn1CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 1888999963 BPHKKZSRAQSBFW-UHFFFAOYSA-N 443.500 2.571 0 40 IFAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccc(C(=O)OC)cc3)n2)cc1OCC 932017 VDKWVWJGIDLDFI-UHFFFAOYSA-N 425.445 2.563 0 40 IFAB COC(=O)Cc1c(C(=O)OC)sc(NC(=O)c2cccc(Cl)c2)c1C(=O)OC 1405960 KUOVJIHRFSGSBO-UHFFFAOYSA-N 425.846 2.943 0 40 IFAB CC[C@H](C)N(C(=O)CSc1nccn1-c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 8724635 PWWDVAATYKOJJK-YOEHRIQHSA-N 425.551 2.918 0 40 IFAB COC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc2c1CCN(C(=O)OC)C2 9762038 JMBXHCMBNVZJRZ-UHFFFAOYSA-N 434.470 2.929 0 40 IFAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)N1CCNC1=O 9778603 RGRUHFZLVMFRAK-CYBMUJFWSA-N 437.481 2.695 0 40 IFAB O=C(O[C@H](C(=O)Nc1cccnc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 10004270 SCJFOLQRKMISSY-RBUKOAKNSA-N 434.404 2.556 0 40 IFAB COCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc23)c(=O)n1C 10047828 IMUXDJKJGKGRTF-MRXNPFEDSA-N 446.511 2.502 0 40 IFAB COc1ccc(C(=O)N2CCN(c3nc4c(S(C)(=O)=O)cccc4s3)CC2)cc1 10337245 NQTLZYYLWYBNHD-UHFFFAOYSA-N 431.539 2.671 0 40 IFAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(c2cnccn2)CC1 11542967 IRPONUFPLUNQCZ-DEOSSOPVSA-N 431.540 2.662 0 40 IFAB COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1 11986776 NYQSEWDLGZNNFJ-UHFFFAOYSA-N 429.951 2.852 0 40 IFAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)CC2CCCCC2)CC1 12229838 ZCWTUPBIIQFWQY-UHFFFAOYSA-N 443.573 2.650 0 40 IFAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 12229962 OTOCYQBSTIAFHR-UHFFFAOYSA-N 443.573 2.650 0 40 IFAB O=C(Cn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCC3)NCc1ccco1 12389820 NXABTAXSWNVLEZ-UHFFFAOYSA-N 446.492 2.566 0 40 IFAB CCn1cc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)c(=O)c2cc3c(cc21)OCO3 12407711 XQJLFZPMTYTMKH-UHFFFAOYSA-N 444.465 2.502 0 40 IFAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12675838 RAHLELDOWGSPQL-UHFFFAOYSA-N 442.493 2.741 0 40 IFAB CSCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12694258 QRPRLBSKTXWPBG-UHFFFAOYSA-N 430.555 2.979 0 40 IFAB CCNC(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 12858802 IQMFDINOKRHQBF-UHFFFAOYSA-N 431.333 2.618 0 40 IFAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 12979984 CGHKCJCDQHRCDL-KOSHJBKYSA-N 437.496 2.532 0 40 IFAB O=C(O)c1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(C(=O)O)cc3)cc2)cc1 16401524 YGLVVAFRVDRWFE-UHFFFAOYSA-N 432.432 2.943 0 40 IFAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 17097929 RFNXHYYIZPAMQC-IBGZPJMESA-N 432.480 2.563 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)CCC3CCCC3)[nH]c2=O)C1 19404984 RATWYQLILMRJJH-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3nccn3C)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19696405 CSYNPZRQSOAHTE-KRWDZBQOSA-N 448.502 2.767 0 40 IFAB Cc1nc2ccc(NC(=O)Cn3cc(C(=O)NCc4ccc(F)cc4)ccc3=O)cc2[nH]1 19751449 MDYCINKQJHJFHC-UHFFFAOYSA-N 433.443 2.741 0 40 IFAB Cc1cc(OC[C@H](O)Cn2c(=N)n(CCN3CCOCC3)c3ccccc32)ccc1Cl 19943259 FHEPDTBKOVBZSN-GOSISDBHSA-N 444.963 2.656 0 40 IFAB COc1cc2nc(CSCC(=O)NCC3CCC(C(=O)O)CC3)nc(O)c2cc1OC 20732397 AEHVKFKQAHUQLW-UHFFFAOYSA-N 449.529 2.593 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22529272 KHEKQMWVNNPTGO-HOTGVXAUSA-N 448.541 2.888 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 27964432 BMYFCEUFBLUOQH-LLVKDONJSA-N 431.919 2.570 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1 32856018 QWXKFDCCKWQPQB-QGZVFWFLSA-N 439.555 2.852 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3C)CC2=O)c1 38677582 RFEDMZVRXDYSLK-INIZCTEOSA-N 443.525 2.535 0 40 IFAB Cc1ccc(CN2CCC(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)cc1 39773036 VGTCYADUIHVPCH-UHFFFAOYSA-N 441.597 2.740 0 40 IFAB CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1ncc(C(=O)O)c(NCc2ccccc2)n1 49469896 CQUCWAJBEZNXFE-UHFFFAOYSA-N 444.488 2.888 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318441 YKBPTKBATPJGHS-HSZRJFAPSA-N 434.540 2.907 0 40 IFAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 57541485 CLBUGGNGEOSSFD-UHFFFAOYSA-N 429.521 2.966 0 40 IFAB NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)cc1 61720709 HZQPKONHNWTVKU-INIZCTEOSA-N 441.390 2.792 0 40 IFAB COc1cc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc(OC)c1OC 72340736 LHLYPOGASFCHQN-UHFFFAOYSA-N 433.468 2.790 0 40 IFAB Cc1ccc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3O[C@@]3(CCCN(C)CC3)C2)cn1 72394787 SWXCEFJVZRPIQG-UQBPGWFLSA-N 436.556 2.784 0 40 IFAB COC(=O)c1nc(NC(=O)CCn2nnc3ccccc3c2=O)sc1-c1ccccc1 72406227 IVWINHXTRQWYGY-UHFFFAOYSA-N 435.465 2.730 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1F 79054124 WGXOMGVFFROYDG-JXFKEZNVSA-N 433.549 2.716 0 40 IFAB COC(=O)CNC(=O)c1cccc(NC(=O)c2sc3ccccc3c2C[S@@](C)=O)c1 89400947 WUEUREVWLYPGLY-PMERELPUSA-N 444.534 2.935 0 40 IFAB CC(C)CCN1Cc2c(C(=O)NCc3ccncc3)ncn2-c2ccccc2S1(=O)=O 96266255 LKACYFYRKLSLML-UHFFFAOYSA-N 439.541 2.748 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 100163944 CNHLSXAQEJPQCA-DODAUVCRSA-N 444.535 2.752 0 40 IFAB COc1ccc(N2N=C(C(C)=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 100950775 AMOJUWNSOWNPJU-AEFFLSMTSA-N 442.269 2.781 0 40 IFAB CCOC(=O)[C@@H]1[C@H](c2c(OC)ccc3ccccc23)NC(=S)N[C@@]1(O)C(F)(F)F 106213748 SAOWSHFBPDQXGO-MPGHIAIKSA-N 428.432 2.797 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 216283926 NODJYFGNPOILNL-UHFFFAOYSA-N 442.877 2.768 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 223242424 YRTCFYQLNAQSKE-NSHDSACASA-N 442.440 2.553 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1 223518561 CCJPYRDHUFWLHG-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB O=C(NCCOc1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 223578775 AQGUYBYROINFBR-UHFFFAOYSA-N 440.521 2.670 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C)cc1C 225607852 LFQKGQLQQVJPFG-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260912735 YIJKLISGDYKSME-RBUKOAKNSA-N 432.542 2.804 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408670819 XGUYTIZVBDNTGP-XJSUSFSXSA-N 438.402 2.607 0 40 IFAB CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)N2CCCCCC2)C(=O)N(C)C1=O 409377464 IJMVILLOFVUPKH-UHFFFAOYSA-N 448.520 2.635 0 40 IFAB O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CCC3(C2)Oc2ccccc2O3)C1 579181104 QYATYFWVQSEJPP-KRWDZBQOSA-N 432.480 2.815 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3n[nH]c(Cc4ccccc4)n3)C2=O)cc1 618254863 IGYCUKKJIXWUOJ-KRWDZBQOSA-N 436.493 2.996 0 40 IFAB C[C@@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1683303021 HRRAMCLTJJXDFV-QGHHPUGFSA-N 447.344 2.530 0 40 IFAB CCn1c(CCCC(=O)NC[C@@]2(O)CCCN(c3cc(C)ncn3)C2)nc2ccccc21 2037880096 XYGQLRCPRUCESE-DEOSSOPVSA-N 436.560 2.625 0 40 IFAB CC(C)(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433740 PNZSGAKKNPAHIL-UHFFFAOYSA-N 430.526 2.505 0 40 IFAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OC 3659160 LHILTFMCCLHUHB-LICLKQGHSA-N 428.416 2.869 0 40 IFAB Cc1noc(C)c1C(=O)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(C(C)C)cc3)CO[C@H]12 4259142 LYYDAYXQBDVQQH-ONCXSQPRSA-N 429.473 2.928 0 40 IFAB biogenic,in-vitro Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 7645341 ZLVVYESOEJSPLM-UHFFFAOYSA-N 425.529 2.994 0 40 IFAB COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)ccc1O 8845282 KVLKBRORJHJJEL-HXUWFJFHSA-N 429.860 2.996 0 40 IFAB O=C([C@H]1CN(C(=O)CCn2c(=O)oc3ccccc32)c2ccccc2O1)N1CCCCC1 9477132 MAUPVWCDCYOSSY-OAQYLSRUSA-N 435.480 2.791 0 40 IFAB O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 9507148 NQMOPKADMSSJEN-UHFFFAOYSA-N 427.448 2.818 0 40 IFAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9549111 KTOLSWQICZMFBR-HNNXBMFYSA-N 442.497 2.927 0 40 IFAB COc1ccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 9576974 OGJMVFAHJGXGFY-UHFFFAOYSA-N 449.511 2.673 0 40 IFAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1nn(C)c(=O)c2ccccc12 9767318 OCJRVYMVGBSYQI-UHFFFAOYSA-N 446.463 2.816 0 40 IFAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9788836 CXWDIMCDEPUUQU-FQEVSTJZSA-N 439.537 2.762 0 40 IFAB CCN1C(=O)C(=C(C)Nc2cc(Cl)ccc2N2CCOCC2)C(=O)N(CC)C1=S 9983718 MNCAVKRFVFKVNL-UHFFFAOYSA-N 436.965 2.858 0 40 IFAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 10542133 VTUDVDZKHORWLZ-NSHDSACASA-N 437.345 2.560 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)CCN1C(=O)COc2ccccc21 12806697 MSGGOWROKQGCBK-UHFFFAOYSA-N 446.301 2.662 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)c1C 13669598 PJOGLDSHPIFTBU-UHFFFAOYSA-N 448.497 2.695 0 40 IFAB CC[C@]1(c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc2)CCC(=O)NC1=O 13683408 SATIDKZYQOKVDB-RUZDIDTESA-N 446.507 2.550 0 40 IFAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1OC 16227504 LWGGTJNTONEFFM-UHFFFAOYSA-N 434.514 2.942 0 40 IFAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)c3cc(-n4cnnc4)ccc3Cl)nc12 19127010 CHWQEPWOYDLEOM-UHFFFAOYSA-N 447.886 2.622 0 40 IFAB CC(C)c1ccc([C@@H]2N=C3NCN(N4CCN(C)CC4)CN3c3nc4ccccc4n32)cc1 19172401 NIGDKIVUUNQZFI-HSZRJFAPSA-N 444.587 2.865 0 40 IFAB Cc1ccccc1-c1noc([C@H]2CN(S(=O)(=O)CCOc3ccccc3)CCO2)n1 19237519 ONJIYTMIMOQZTD-LJQANCHMSA-N 429.498 2.827 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527524 OUBGZJANMSRAIB-OAQYLSRUSA-N 444.535 2.909 0 40 IFAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2c(C)cc(C)n(C)c2=O)on1 19572163 DLSADJBQFQIRCY-KRWDZBQOSA-N 436.516 2.799 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1 19765095 YQZIESSJBCJIMC-FQEVSTJZSA-N 441.507 2.562 0 40 IFAB CCN(CC(=O)NCc1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930298 VLQCBBCWHGGRRH-UHFFFAOYSA-N 426.922 2.684 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc2c(c1)OCO2 19935353 JEWNPQYTFDJXOP-UHFFFAOYSA-N 438.889 2.871 0 40 IFAB COCCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 20069112 UWVHMCFILZXESM-RTBURBONSA-N 439.541 2.866 0 40 IFAB CN(Cc1cccs1)C(=O)COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 21243052 ULYUCDCOKHRJPB-UHFFFAOYSA-N 433.574 2.908 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 22228861 ZMACDMVBBSAVAS-UHFFFAOYSA-N 437.949 2.668 0 40 IFAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23936021 COIUMTTXRYLDOK-IBGZPJMESA-N 435.549 2.847 0 40 IFAB COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)c1 32909900 WQEJWZTWMDAHHW-UHFFFAOYSA-N 431.448 2.825 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 40159115 AYXMUKNHXZBMML-OLZOCXBDSA-N 440.905 2.586 0 40 IFAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc(F)cc3)c2c1=O 48988127 NEVRXQFCCUJNIC-UHFFFAOYSA-N 434.471 2.967 0 40 IFAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(C)cc4C)CC3)snc2c1=O 49409856 GFDOGRWKFAGCRK-UHFFFAOYSA-N 441.557 2.526 0 40 IFAB COc1ccc(CNC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 67225775 QUSHGGIERXTYKL-UHFFFAOYSA-N 449.536 2.814 0 40 IFAB CCOC(=O)CCN(CC(=O)Nc1sccc1C(=O)OCC)C[C@@H]1CCCN1CC 72308754 JRYNNMNUFPUTRL-INIZCTEOSA-N 439.578 2.603 0 40 IFAB CCS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccccc2F)C1 72314578 AFYOYOFNRLTETA-SFHVURJKSA-N 425.507 2.698 0 40 IFAB O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 89866515 OVHVCBIAVNXTRM-UHFFFAOYSA-N 432.446 2.921 0 40 IFAB CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)c1cccc2c1OCCO2 95956288 VKZXYXKWGIUPQT-UHFFFAOYSA-N 442.287 2.738 0 40 IFAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)NCc1ccccc1 101164584 CVUUOWOQEIICSX-UHFFFAOYSA-N 439.541 2.645 0 40 IFAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 101344432 HVGKNCXAETYDEW-CROMWVBPSA-N 437.883 2.780 0 40 IFAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(OC)cc1)S(C)(=O)=O 220644885 GKLHOKFLLIVBPY-SFHVURJKSA-N 426.560 2.882 0 40 IFAB COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222729266 WYJFBWMHSSBEID-GOSISDBHSA-N 428.529 2.816 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccccc1Cl 223836239 LDYPLZFRSJOPTF-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB Cc1cccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1C 223946314 JPNQKFOAMOYVQB-IBGZPJMESA-N 438.933 2.679 0 40 IFAB Cc1cc(C)cc(CN2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)c1 306137659 RCNNHPLIVUBNEL-VWLOTQADSA-N 434.515 2.658 0 40 IFAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)c1 408602158 HZMHQMQDABNKAR-UHFFFAOYSA-N 427.482 2.586 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 408609469 RMAURAKAMHHLGI-NSHDSACASA-N 425.894 2.613 0 40 IFAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1Cl 408609663 PPANFCLHSKNBRP-UHFFFAOYSA-N 437.949 2.511 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2ccc3ccccc3n2)CC1 531192869 RPRBNMCFGLHVBP-UHFFFAOYSA-N 425.510 2.907 0 40 IFAB Cc1ccccc1[C@@H](CC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1)NC(N)=O 536277724 INMVVAMWEWFIAL-MJGOQNOKSA-N 448.445 2.813 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)CC2)cc1 585284880 ADAFHQAHTPXTRL-RUZDIDTESA-N 444.547 2.608 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(CNCCc2c[nH]c3ccccc23)C1 585286388 QLNQITRFFWKVIL-GGAORHGYSA-N 427.932 2.592 0 40 IFAB CN1CCOc2ccccc2CCCC[C@]2(CCCN(C(=O)CN3CCCC3)C2)C1=O 643561310 FFCDJTRPGIEEDE-RUZDIDTESA-N 427.589 2.955 0 40 IFAB COCC(=O)N1Cc2ccccc2N(C(C)=O)CC[C@H]2CC[C@@H](C1)N2Cc1ccncc1 643577504 OOXINGMDIASARJ-PKTZIBPZSA-N 436.556 2.846 0 40 IFAB CS(=O)(=O)c1cccc2sc(N3CC(Cn4cc(Br)cn4)C3)nc12 2069628805 ANQVFTWEMXXWKV-UHFFFAOYSA-N 427.349 2.795 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)cc2c1 880110 XTOIOLGDPSKFCI-RBUKOAKNSA-N 431.558 2.571 0 40 IFAB C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 4249351 BRUJHRLMIRZXIG-HNNXBMFYSA-N 425.508 2.873 0 40 IFAB CC(=O)Nc1ccc2c(c1)C[C@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@@H]1CCCCCN21 8971343 LYSINHHYCTYTIN-FDDCHVKYSA-N 426.517 2.813 0 40 IFAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)N1CCN(c2ncccn2)CC1 9389576 NONPRMRKVWRDSJ-HXUWFJFHSA-N 425.583 2.896 0 40 IFAB O=c1cc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)nc2sccn12 9514067 FKJMDFDPGUMKQB-UHFFFAOYSA-N 440.554 2.525 0 40 IFAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 9671002 UQXULVBDGABJNE-CQSZACIVSA-N 426.498 2.713 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041406 KAVPPIRPIBFZGD-LLVKDONJSA-N 440.319 2.713 0 40 IFAB CCOC(=O)c1sc(NC(=O)CSc2nc(N)cc(N)n2)nc1-c1ccccc1 10060487 ZPDGROXBTHVDMR-UHFFFAOYSA-N 430.515 2.672 0 40 IFAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)Cn3ncc4ccccc4c3=O)C1)O2 12237056 HXOALEUUPMJLFI-MBSDFSHPSA-N 431.492 2.978 0 40 IFAB Cn1nc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12907126 FEMUHSDNMATLGZ-CQSZACIVSA-N 429.546 2.517 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 13554774 JFPWEJKDXXSSSY-DMPWYTOCSA-N 443.544 2.748 0 40 IFAB CN(C)CCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 13675188 SXCFPKIKZHWBFG-UHFFFAOYSA-N 430.357 2.867 0 40 IFAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1C[C@@H](C(=O)NC)Oc2ccccc21 15546655 MWDVEBOGMCNPMT-KRWDZBQOSA-N 443.525 2.754 0 40 IFAB CCS(=O)(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)CC1 19740115 MEDLILDQCBWPML-UHFFFAOYSA-N 446.548 2.933 0 40 IFAB CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 20460019 XEMGEPZSWDBUJA-UHFFFAOYSA-N 438.933 2.690 0 40 IFAB COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n(C)c2c1 20745756 AMOKSUONWVETGK-LBPRGKRZSA-N 425.441 2.681 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C)CC2)cc1OC 22246614 CFESIZBIGUAXNK-FQEVSTJZSA-N 446.569 2.852 0 40 IFAB CCOc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 22508952 RBKGHWVNGGGBFH-UHFFFAOYSA-N 442.541 2.662 0 40 IFAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(CN2CCCC2)cc1 22798693 CYSAJZJJUBWIHY-UHFFFAOYSA-N 436.556 2.767 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)N2CCOCC2)cc1 23156037 KBWIFHBECUTUFB-YWZLYKJASA-N 441.553 2.931 0 40 IFAB CCCNC(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 23788354 RMMPPZSFBYXIGH-UHFFFAOYSA-N 448.317 2.723 0 40 IFAB Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nc12 28556949 QEYUFPYZBFHSSE-UHFFFAOYSA-N 446.914 2.774 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1C 34854166 KMCSFXCVVBBZMC-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB CCCCn1nc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c2ccccc2c1=O 40052618 MMXVQINIKQLWFD-UHFFFAOYSA-N 444.513 2.829 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 57292138 JHXBMTKEHLPJHH-UHFFFAOYSA-N 431.558 2.722 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN(C(=O)C2CC2)CC1 57728171 ZLZOEZYQUHDYBR-UHFFFAOYSA-N 426.439 2.628 0 40 IFAB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)CCN2CCSC2=O)C1 71818929 DRZJVFFQLWXARF-GFCCVEGCSA-N 441.351 2.580 0 40 IFAB CS(=O)(=O)c1ccc(-c2nnc(C3(c4ccc5c(c4)OCO5)CCOCC3)o2)cc1 71889930 VXNAQNBIUNMTAP-UHFFFAOYSA-N 428.466 2.965 0 40 IFAB O=C(Nc1ccc(-n2cccn2)cc1)c1nc(N2CCOCC2)ncc1Br 72243424 BTLFSKNKMULVKG-UHFFFAOYSA-N 429.278 2.514 0 40 IFAB Cn1cc(C(=O)N2CCCC[C@H]2Cc2c(C(=O)NCCO)sc3ccccc23)cn1 72370402 KINFTDKXUJXAOD-INIZCTEOSA-N 426.542 2.594 0 40 IFAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)CCn1cnnn1 72370739 OFZXVJVWIXSKRX-HNNXBMFYSA-N 426.546 2.651 0 40 IFAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCCN2Cc1ccc(F)cc1 72373781 JQSCWMQSHWSVGB-LJQANCHMSA-N 433.553 2.820 0 40 IFAB CN(C)CCCN(C(=O)c1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 78355151 RRBRHBJGWXERAA-OAQYLSRUSA-N 449.617 2.786 0 40 IFAB COc1ccc(OCCCN2CCN(CCCOc3ccc(OC)cc3)CC(O)C2)cc1 89453808 CYQNESVFJDMYPE-UHFFFAOYSA-N 444.572 2.920 0 40 IFAB O=C(N[C@@H]1CCCC[C@@H]1CO)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 95443383 FGVWWODJKOEKSN-IFMALSPDSA-N 430.570 2.908 0 40 IFAB Cc1cc(C(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC(C)C)[C@H]3CC2)no1 96145775 BLNWIKJIMRVXQF-ROUUACIJSA-N 433.530 2.696 0 40 IFAB COc1cccc(NC(=O)c2cn(-c3nc(CN4CCOCC4)c4ccccn34)cn2)c1 96155552 XAZNUXFNOXVCPY-UHFFFAOYSA-N 432.484 2.613 0 40 IFAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 103280137 HFQGEDUBUNUDLP-KBPBESRZSA-N 428.842 2.785 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222370997 JLWIMGUQKMOQAN-LJQANCHMSA-N 445.585 2.541 0 40 IFAB CCOc1cc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC 223267014 XNPKRVJBDRCMJM-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1C(=O)N1CCOCC1 223874239 BZPWKMRUCBJYRH-UHFFFAOYSA-N 432.542 2.770 0 40 IFAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)cc1NCc1cccnc1 257303200 SGEMXIMJNSIHRG-DEOSSOPVSA-N 443.551 2.814 0 40 IFAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@H](Cc2nccn3cccc23)C1 257319787 VUAMJEBESOKTND-QGZVFWFLSA-N 438.503 2.700 0 40 IFAB CCOc1ccc(-n2nc(C(=O)NCCO)nc2-c2ccc(Br)cc2)cc1 408692199 GXTONVNRLYPTEV-UHFFFAOYSA-N 431.290 2.818 0 40 IFAB COc1cc(/C=C2\N=C(c3ccc(OC(C)=O)c(OC)c3)OC2=O)ccc1OC(C)=O 409188296 FVXIIDOJOOTRFY-SXGWCWSVSA-N 425.393 2.899 0 40 IFAB CN1CC[C@@](O)(CNC(=O)c2nn(-c3cc(C(F)(F)F)ccc3Cl)c3c2CCC3)C1 545153334 HAMTZLLWCYINFN-LJQANCHMSA-N 442.869 2.830 0 40 IFAB CN(C)C(=O)CN1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1 550557193 GFYQQKMLLMNRSG-UHFFFAOYSA-N 432.565 2.896 0 40 IFAB CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)CC1 568337419 JWYVVZOQJFWRJZ-MRXNPFEDSA-N 427.998 2.733 0 40 IFAB COc1ccc(CN[C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(COc3ccccc3)n2)cc1 604382109 DTSGBIQJMCRZSB-ZGFBMJKBSA-N 449.551 2.754 0 40 IFAB biogenic,in-vitro Cc1ccc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc(Br)o2)cc1 3434798 HOGFTEKBKKGANJ-UHFFFAOYSA-N 448.302 2.762 0 40 IFAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@]12C(=O)N(C)c1ccccc12 8845622 RPDPIPLXCLHSSR-DEOSSOPVSA-N 432.480 2.885 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 9263585 JYZSYWFMQABTLS-NSHDSACASA-N 432.531 2.581 0 40 IFAB COc1ccccc1CNC(=O)CSc1nc2c(cnn2-c2cccc(C)c2)c(=O)[nH]1 9595019 QTILDULVAFJZNU-UHFFFAOYSA-N 435.509 2.834 0 40 IFAB COc1cc(CCC(=O)OCC(=O)NCc2cc(C)c(O)c(C)c2)cc(OC)c1OC 9666280 CZUOGOULJPBZDR-UHFFFAOYSA-N 431.485 2.827 0 40 IFAB CC(C)CCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 9739434 IQCWTCSYHMKCLF-UHFFFAOYSA-N 435.571 2.990 0 40 IFAB CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)OCCO2 9791395 HBRDXVCHXGNFBI-JLTOFOAXSA-N 433.530 2.863 0 40 IFAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c4nc23)c(C)c1 10101576 KGAUILBLWMITHW-UHFFFAOYSA-N 435.528 2.987 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(Cl)cc1F 12545361 YFUHKRQBSUWBAU-IBGZPJMESA-N 433.867 2.544 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 12599138 LGIBRBFWJYZQRQ-NVXWUHKLSA-N 445.570 2.607 0 40 IFAB Cc1ccc(CN2C[C@@H](C(=O)NCC(=O)Nc3ccccc3Br)CC2=O)cc1 12762316 ODWRTNFRKDTFHS-INIZCTEOSA-N 444.329 2.861 0 40 IFAB COc1cc(OC)c(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc1Cl 12884123 UCGHFUMXNGRWGZ-NRFANRHFSA-N 429.860 2.905 0 40 IFAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 13113412 SPWBPLWGCOBDHH-UHFFFAOYSA-N 443.525 2.615 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13427362 PRTCGQRTMLEBJQ-GJYPPUQNSA-N 438.358 2.528 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)C[C@@H](C)O1 14183737 MKOKGBWIPUKIPW-YRNRMSPPSA-N 430.526 2.738 0 40 IFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)COc2ccccc2C)CC1 14271729 LXESINBUTCFUDL-UHFFFAOYSA-N 440.569 2.946 0 40 IFAB CCOCCn1/c(=N\C(=O)c2ccccc2S(C)(=O)=O)sc2cc(OC)ccc21 16689659 PVGCPMHLLNNBKC-QZQOTICOSA-N 434.539 2.893 0 40 IFAB COc1ccc(CC(=O)NC2CCN(Cc3cc(-c4ccccn4)nn3C)CC2)cc1OC 19288955 POQYJYPPHRTBTG-UHFFFAOYSA-N 449.555 2.823 0 40 IFAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 19562228 OQYZYEIZSYRAIV-VQTJNVASSA-N 427.497 2.851 0 40 IFAB Cc1c(CC(=O)N2CCN(CCO)CC2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 20648672 SDOBTWKAYJKZPO-UHFFFAOYSA-N 438.524 2.714 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC 22332476 RNCUDRBRJPMYCU-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24135206 LBVRAHKXQJZSTQ-UHFFFAOYSA-N 436.480 2.576 0 40 IFAB C[C@H]1CN(c2ccc(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)cn2)C[C@@H](C)O1 24670470 JSNMWVGMJWYROF-QKLQHJQFSA-N 440.569 2.527 0 40 IFAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nc1 24751093 KPSILKSEBIEHRV-UHFFFAOYSA-N 431.514 2.591 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)OC)c(C)c1 28207733 NSQGSBGOLGBXOL-UHFFFAOYSA-N 434.514 2.830 0 40 IFAB Nc1nc(COC(=O)[C@H]2CCCN2C(=O)c2ccco2)nc(Nc2ccc(Cl)cc2)n1 32854390 OOXZOIMGFSMSIN-CQSZACIVSA-N 442.863 2.792 0 40 IFAB O=C(NC(=S)NCCCCCNC(=S)NC(=O)c1ccccc1)c1ccccc1 35622982 BRFLLNSMFRTVCL-UHFFFAOYSA-N 428.583 2.766 0 40 IFAB Cc1c(N[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c(=O)n(-c2ccccc2)n1C 35682707 MPMLYLFZNSBTHL-LJQANCHMSA-N 435.528 2.939 0 40 IFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1OC 36451897 JJQJLDSKUXVTMH-UHFFFAOYSA-N 425.529 2.646 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCN(C)c2ccccc2)C(C)C)cc1 36622001 BQAQRAYBBGUIIF-NRFANRHFSA-N 433.574 2.641 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 40018289 MQZDLXZGZNEHEY-HXUWFJFHSA-N 441.915 2.999 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CCCn3c(=O)oc4ccccc43)CC2)cc1C 58182604 DNCKMHQXTXODAY-UHFFFAOYSA-N 429.542 2.608 0 40 IFAB O=C(NCc1cc(Br)ccc1F)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 58283374 AOHLRMDZDKLNFX-DOTOQJQBSA-N 439.256 2.619 0 40 IFAB CCc1c(C)nc(C2CCN(C(=O)CCc3cc(OC)no3)CC2)nc1N1CCOCC1 72337243 VDCAHXGZIVZJJM-UHFFFAOYSA-N 443.548 2.519 0 40 IFAB COCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1ccc2c(c1)OCCO2 72453368 DAPTZHGJZZUVKN-QGZVFWFLSA-N 434.452 2.990 0 40 IFAB COc1ccc(CN2C[C@@H](C(=O)N[C@@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 79024927 KYVLJVZEZRNCPW-LPHOPBHVSA-N 434.496 2.895 0 40 IFAB COc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c1 89470187 IVOXDRWLAOPNEE-UHFFFAOYSA-N 443.569 2.832 0 40 IFAB COCc1cc2nn(CC(=O)N3CCCc4ccccc43)c(=O)n2c(-c2ccccc2)n1 90610159 KLJYDSCFEJUWEE-UHFFFAOYSA-N 429.480 2.684 0 40 IFAB Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)n1 95946539 WEEFPSHJWPGPLV-HNNXBMFYSA-N 431.514 2.894 0 40 IFAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 95997693 FMXVLKCUFAATLU-DLBZAZTESA-N 425.470 2.559 0 40 IFAB O=C1c2cc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)ccc2OCC[C@H]2CCCCN12 96025910 YKIWXZKPKQAJMO-CQSZACIVSA-N 443.481 2.699 0 40 IFAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccc(Cl)cc3)C2=O)c1 100036725 BPMSTXSKQLSXFT-MOPGFXCFSA-N 425.876 2.566 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100117853 AMELWWFURHWRLW-FDYQTNENSA-N 447.535 2.875 0 40 IFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCCSCc1ccc(Br)s1 103512086 RQGQEWRNCMWWOC-CHWSQXEVSA-N 443.388 2.811 0 40 IFAB Cc1nc(C)c(CNC[C@]2(COc3ccc(C(F)(F)F)cn3)C[C@H](O)[C@H](O)C2)s1 107430413 UKSFKGMQVQDSIV-JLVBRIDZSA-N 431.480 2.844 0 40 IFAB biogenic,in-vitro CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C3(C(=O)OCC)CC3)cc2)ccc1OC 222914245 VSGSKYDONHMYJK-UHFFFAOYSA-N 446.525 2.840 0 40 IFAB CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)ccc1OC 223849064 YPOFOSNOPPQXFM-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB CCc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 224764774 WOKAYEMARJGDDE-UHFFFAOYSA-N 429.586 2.927 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408671499 YHKLSEKUGJQNIO-PCNTZYQVSA-N 448.475 2.992 0 40 IFAB COc1cc(CO)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 409115278 IHHDXXKKXHMMFX-UHFFFAOYSA-N 434.251 2.868 0 40 IFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 409231387 CSYNXZVEZYBFOL-CXUHLZMHSA-N 425.441 2.503 0 40 IFAB CCC(O)(CC)CNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 542765282 GXEBPBIVTVILII-VWLOTQADSA-N 435.524 2.833 0 40 IFAB COc1cccc(N2CCC(O)(CN3CCC4(CC3)C[C@H](N(C)C(C)=O)CCO4)CC2)c1 585262828 KMNUVPBYMQQSPG-JOCHJYFZSA-N 445.604 2.518 0 40 IFAB COc1ccc2c(ccn2CCNC(=O)CC2(c3oc(C)cc(=O)c3O)CCOCC2)c1 1547138814 GWDWSILFNZTONC-UHFFFAOYSA-N 440.496 2.872 0 40 IFAB biogenic O=C(c1cc(-c2cccnc2)on1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888897972 ODNIRSULAIZCMZ-ZIAGYGMSSA-N 430.390 2.754 0 40 IFAB O=C(O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)CC1 3320306 BXKDVFVJFOKBPY-UHFFFAOYSA-N 437.521 2.860 0 40 IFAB CCN(CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCCCN(C)C 6193348 AGASCIHZUGHTEY-UHFFFAOYSA-N 447.649 2.507 0 40 IFAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccc(F)cc1 6577602 ZIQDNXYKOOCRNG-UHFFFAOYSA-N 443.529 2.787 0 40 IFAB COc1ccccc1[C@H]1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789527 IZHCLDJDQCGDCG-CJAUYULYSA-N 433.508 2.590 0 40 IFAB biogenic C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O 9065129 XSNLHIWRTQZZSU-LYLMJZQMSA-N 434.286 2.595 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 9155755 BFQMDJODMNPTRM-NRFANRHFSA-N 442.313 2.801 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 9416565 BLRHCQUJUMFOSW-UHFFFAOYSA-N 430.468 2.796 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2c(C)noc2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 9591589 RBXSHLRGPOUWOX-IBGZPJMESA-N 447.875 2.902 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OCC)cc3)n2)cc1 9844760 RBXUXSBYRDTHNL-UHFFFAOYSA-N 443.525 2.686 0 40 IFAB O=C([C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccccc1)N1CCOCC1 9861481 AKEOOXNUQCRLBU-FQEVSTJZSA-N 447.582 2.558 0 40 IFAB Cc1cc(=O)oc2cc(OCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12 10392226 SLCFNHLJFZOHSR-UHFFFAOYSA-N 445.493 2.580 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)n4nc(C)c5ccccc5c4=O)C3)cc2n1 12134498 VLRZOSAPDTUOKH-IRXDYDNUSA-N 446.511 2.729 0 40 IFAB Cc1nc(C2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)nc(N2CCOCC2)c1C 12142986 XSMHBGVJXFVVBT-UHFFFAOYSA-N 440.592 2.619 0 40 IFAB C[C@@H](NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1)C(=O)N1CCCCC1 12219729 UVQZFBCQTQJVLU-MRXNPFEDSA-N 428.558 2.778 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c(C)c1 12798800 VKWWFSJMHHVNML-UHFFFAOYSA-N 430.526 2.611 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12805869 AFCVYTWXTSVZND-PBHICJAKSA-N 448.416 2.995 0 40 IFAB CNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12911386 ZYXPFOSSEQKJJF-UHFFFAOYSA-N 441.553 2.574 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)CC2 13007579 WUMQGSGMAWSWAT-UHFFFAOYSA-N 430.423 2.999 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC(C(=O)N2CCCCC2)CC1 13097283 KJSIICPQDQFXPP-UHFFFAOYSA-N 447.601 2.726 0 40 IFAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCC2=CCCCC2)cc1 13372016 FXMSQOIWTFXSCT-PMACEKPBSA-N 427.588 2.505 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCc2nc3ccccc3s2)c1C 14075754 RTKJITVTVPVRKN-UHFFFAOYSA-N 429.498 2.934 0 40 IFAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(I)cc1)C2=O 15978173 QODHINQOORTELR-DIFFPNOSSA-N 441.269 2.730 0 40 IFAB COc1ccc(-n2nnnc2-c2cnc(-c3ccc(C(N)=O)cc3)nc2C(F)(F)F)cc1 16226416 HVOZOYDCXMDGFL-UHFFFAOYSA-N 441.373 2.913 0 40 IFAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccnn2C)C1 19529952 LVPGVZVLKHKWHW-JPYJTQIMSA-N 442.491 2.928 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCO[C@H](c2c(C(N)=O)sc3ncccc23)C1 19703133 NFRDRTCHQLYNHN-HNNXBMFYSA-N 427.482 2.626 0 40 IFAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)ncc1C(=O)Nc1ccccc1 19755788 BUFISIDRQJQXST-GOSISDBHSA-N 440.529 2.687 0 40 IFAB CCN1CCN([C@H](c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1 19826327 SGWOYAKREXNCGQ-HSZRJFAPSA-N 443.555 2.598 0 40 IFAB aggregator COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 20006852 HSWQNLPKGQYCIF-FQEVSTJZSA-N 439.537 2.605 0 40 IFAB CNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 20801827 SVNDDQBUNVOJCI-KRWDZBQOSA-N 431.496 2.986 0 40 IFAB CCc1ccc(OCCOC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22916654 SQILLQOPDSGXSC-JOCHJYFZSA-N 442.556 2.552 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 28493755 BGXOIBQPSDTTGX-UHFFFAOYSA-N 441.475 2.918 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@@H]1c1ccc(Cl)cc1 31641324 CQTLEMXXJJXGOE-MRXNPFEDSA-N 444.900 2.983 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 31893053 GJBSJALTLUFISK-IBGZPJMESA-N 443.910 2.927 0 40 IFAB CCOC(=O)[C@H]1CSCCN1C(=O)CCc1c(C)nc2c3ccccc3nn2c1C 32902939 GYKJBAMLUAAKHZ-LJQANCHMSA-N 426.542 2.939 0 40 IFAB CCOc1ccc(NC(=O)c2cc(C)nc(SC)n2)cc1S(=O)(=O)N1CCCC1 36392547 HLHPJQVVNYAQJZ-UHFFFAOYSA-N 436.559 2.942 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)c3c2CCC3)cc1 36615109 MDKVMFDEGQOLCU-UHFFFAOYSA-N 446.451 2.938 0 40 IFAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 40154173 KGMSIPZAYLSAFN-OAHLLOKOSA-N 430.555 2.510 0 40 IFAB Cn1c(SCc2cc(Br)c3c(c2)OCO3)nnc1[C@@H]1CCS(=O)(=O)C1 40154973 WLANPVXLUQVHEH-SNVBAGLBSA-N 446.348 2.501 0 40 IFAB COc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(OC)c1OC 44845333 CYRCNWJTWJEABU-UHFFFAOYSA-N 428.894 2.667 0 40 IFAB Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@@H]5C)nc34)n2)c1 57494870 GYMIGPJOJPGDGB-INIZCTEOSA-N 432.484 2.922 0 40 IFAB Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC5CCCCC5)nc34)n2)cc1 57503393 DPFGTHUAOIOEDT-UHFFFAOYSA-N 432.484 2.970 0 40 IFAB O=C(Cn1c(=O)cnc2cc(C(=O)NC3CCCC3)ccc21)NCc1ccc(F)cc1F 62007120 NWPQOKOXOCXESH-UHFFFAOYSA-N 440.450 2.664 0 40 IFAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)CN2CCOCC2)n1 72354854 YWTYGNYHHSNJCA-KRWDZBQOSA-N 435.450 2.740 0 40 IFAB C[C@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)N1CC[C@@H](O)C1 95405852 DNPQZPIFYFJXFG-VHSXEESVSA-N 446.672 2.853 0 40 IFAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 95947223 GBKODRGRNSYNTF-UHFFFAOYSA-N 443.935 2.784 0 40 IFAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C 100393108 MVXNAJNGLVQNKU-HFXUHXBXSA-N 446.569 2.957 0 40 IFAB biogenic,in-vitro COc1ccc(N2C(=O)CC(=O)N=C2SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 106175645 XJGRQEOYNRMBRY-LDDOYCOJSA-N 429.542 2.989 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccccn2)cc1 107695587 AUKGNYPSCSHNAB-UHFFFAOYSA-N 439.537 2.640 0 40 IFAB CC[C@H](C(=O)NCCCc1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 219085386 KHOTVIWPBJJVIL-LJQANCHMSA-N 434.558 2.997 0 40 IFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOCc1ccccc1)S(C)(=O)=O 224012158 BXBSHROPXOJOLO-HNNXBMFYSA-N 440.949 2.836 0 40 IFAB CCN(Cc1ccc(C(=O)NCCN2CCCC2=O)cc1)S(=O)(=O)c1ccc(C)cc1 224459169 RONJMYIBFNVMOB-UHFFFAOYSA-N 443.569 2.558 0 40 IFAB CCOc1ccc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1OCC 224608845 URENPBPWXQUVKP-UHFFFAOYSA-N 438.521 2.701 0 40 IFAB C[C@@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224609969 VKJNUYGDGGVNMS-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225563404 SXKXHLYFGNYNJK-NRFANRHFSA-N 430.526 2.524 0 40 IFAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)NCc1ccco1 408599455 HLTMLOUQIRUBAK-UHFFFAOYSA-N 447.948 2.754 0 40 IFAB O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1ccc(=O)n(-c2ccccc2)n1 501682907 NAYMEJFPTWAJDY-MRXNPFEDSA-N 430.233 2.998 0 40 IFAB O=C1C[C@H](Cc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(-c5ccccc5)n4)C3)cc2)C(=O)N1 537552283 WMPZQUKEJIEQAK-PMACEKPBSA-N 443.507 2.697 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(COc4ccncc4Cl)CC3)cc21 1889252046 WHRZIEPMAYHMNS-UHFFFAOYSA-N 437.905 2.660 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CC3(C[C@H](N4CCC(C)CC4)CS3)C2)c1 2056223646 XSPVJKPQWYXAFN-INIZCTEOSA-N 426.604 2.684 0 40 IFAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)N1CCN(C(=O)c2ccco2)CC1 793186 QQZOXZBHASSWBN-XJKSGUPXSA-N 437.422 2.772 0 40 IFAB Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCNC(=O)C1CC1 2195046 OMDIZZHCUSGYAH-UHFFFAOYSA-N 435.509 2.526 0 40 IFAB COc1cc(-c2noc(CCCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC 2197253 IZQPTACQHDAFHQ-UHFFFAOYSA-N 440.456 2.823 0 40 IFAB C[C@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)Nc1ccc(F)cc1 8746916 JOFZASQDFYKKHR-NSHDSACASA-N 449.485 2.621 0 40 IFAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 8954703 CQBNLWODOZJFLR-UHFFFAOYSA-N 431.367 2.640 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc21)c1ccco1 9016469 WSGKDZIYGRXAQV-UHFFFAOYSA-N 431.374 2.683 0 40 IFAB Cn1c(SCC(=O)c2ccc(S(C)(=O)=O)cc2)nnc1[C@H]1COc2ccccc2O1 9255525 AOMQAULZBFXAKS-GOSISDBHSA-N 445.522 2.706 0 40 IFAB COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 9262964 BIKWEUIBGKCVDR-CQSZACIVSA-N 431.562 2.856 0 40 IFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccc(F)cc5)CC4)ccn3n2)cc1 9321144 UCBGPYQPFKCIJT-UHFFFAOYSA-N 445.498 2.959 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)c1 9435438 XQFKJMFMMRIYET-UHFFFAOYSA-N 430.501 2.964 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-n4cnnn4)cc3)cc2)C1 9508978 MBXDQUFQHXPZMD-HOTGVXAUSA-N 440.529 2.581 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl 9569982 BSEKSZRWGIWCPV-UHFFFAOYSA-N 443.903 2.500 0 40 IFAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2nnc3ccccn23)c1 9640307 SBBZXJCURYXCRV-INIZCTEOSA-N 447.520 2.799 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 9674561 DMFSCHGPPMXKBX-IAGOWNOFSA-N 448.266 2.934 0 40 IFAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC[C@@H]1c1nc2ccccc2s1 9742214 VBKWLCALRJATPS-MRXNPFEDSA-N 428.539 2.848 0 40 IFAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc(Br)cc4)cnc32)cc1 9857569 ZYUHHXXBJISQPN-UHFFFAOYSA-N 439.273 2.687 0 40 IFAB CCOc1ccc(CCC2CCN(C(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)CC2)cc1 11984610 WMMPJOWAWRADND-UHFFFAOYSA-N 435.524 2.960 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(C(=O)C(C)(C)C)C2)on1 12184134 LTIPMGATZIUWBW-KRWDZBQOSA-N 426.565 2.944 0 40 IFAB COc1cccc(CNC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1 12233256 NQYROJNYMSRJAK-QGZVFWFLSA-N 447.520 2.944 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 12779129 FNXGVEXLDFVIPE-UHFFFAOYSA-N 446.525 2.961 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)cc1F 12787818 BQUFSKMSMJZICE-UHFFFAOYSA-N 428.869 2.948 0 40 IFAB Cc1nn(CC(=O)Nc2ccc(F)c(F)c2)c(C)c1S(=O)(=O)N1CCC(C)CC1 12860052 DXQHTXCJJBBAQC-UHFFFAOYSA-N 426.489 2.837 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4cccs4)[nH]c3=S)CC2)cc1 13074312 IEXUIBWIPMJLAX-UHFFFAOYSA-N 435.600 2.942 0 40 IFAB CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 13085176 MVNSKNVXRCORFV-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1=O 13100213 ISYFGBQAHQRRCY-VWLOTQADSA-N 443.459 2.795 0 40 IFAB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C 13145675 RKRDGMVTEDQZEN-UHFFFAOYSA-N 435.528 2.610 0 40 IFAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NCc1ccco1 13556489 CAXMRHXEZIZOER-KXBFYZLASA-N 427.501 2.763 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc(OC)cc2)cc1 13574409 YQSLNUVDCZUSKY-HSZRJFAPSA-N 447.491 2.843 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13665188 VETNLCXKZUOBQK-UHFFFAOYSA-N 447.451 2.955 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(s1)CCCCC2 15093760 PHHPIYVXMXKGJQ-UHFFFAOYSA-N 434.583 2.968 0 40 IFAB CC(C)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 15940531 YJRZJSYMEGMJLV-UHFFFAOYSA-N 429.586 2.719 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2)nc(C)n1 16045873 YMDSNVYQVVLJCX-UHFFFAOYSA-N 449.492 2.988 0 40 IFAB Cc1nn(C[C@H](C)C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c(C)c1Br 17096284 KWAFYYMDIKJKKI-MDAAJZPYSA-N 429.212 2.706 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4cnn(CC)c4)C3)cc2N1 19520812 OTOZLYYLJIQKOX-WOSRLPQWSA-N 446.499 2.975 0 40 IFAB Cc1nn(C)cc1C(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19698559 YSPXSFXDZDDSOW-UHFFFAOYSA-N 432.528 2.621 0 40 IFAB O=C(Cn1cccc(C(=O)NCc2ccccc2)c1=O)Nc1cccc(-n2cccn2)c1 19750527 USBIILSGCHBNEY-UHFFFAOYSA-N 427.464 2.603 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19753886 JJKLAHYAUHBFAL-FQEVSTJZSA-N 427.524 2.956 0 40 IFAB Cc1cc(C)nc(N2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19759369 YQUGMSJISOAXKV-JOCHJYFZSA-N 433.512 2.692 0 40 IFAB Cc1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 20457944 FXVOZGTVSFBXAV-UHFFFAOYSA-N 432.527 2.836 0 40 IFAB NS(=O)(=O)c1ccc(OCCOC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 21794210 FPRNTOSLVAYFJG-UHFFFAOYSA-N 434.445 2.683 0 40 IFAB COc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)S(C)(=O)=O)cc1 22332714 NBGSUCSKKZDBII-LJQANCHMSA-N 448.541 2.888 0 40 IFAB Cc1ccc(C)n1-c1sccc1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 22533056 SJWHKBAJRYZLOW-UHFFFAOYSA-N 433.511 2.599 0 40 IFAB COc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cc(C)n(C)n3)nc12 22768213 VLFSYCKAIIRBRT-UHFFFAOYSA-N 449.964 2.979 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cc5ccccc5[nH]c4=O)CC3)n2)cc1 23078256 MJICFCWPWJCVSD-UHFFFAOYSA-N 429.480 2.845 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 23134326 WWBGAZOSUIUKOG-UHFFFAOYSA-N 430.574 2.721 0 40 IFAB COc1ccc(CN(C)C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1F 24751207 NNSVRQCKFTYSJC-UHFFFAOYSA-N 434.411 2.790 0 40 IFAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 25049821 PEDUJQHDFQCIOX-UHFFFAOYSA-N 429.473 2.956 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(N2CCOCC2)n1CC(C)C 29503626 IAFSAMMYUHECHA-UHFFFAOYSA-N 445.589 2.851 0 40 IFAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCCOc1ccc2ccccc2c1 30446974 MARGJYGQZFMYPB-UHFFFAOYSA-N 441.505 2.970 0 40 IFAB Cc1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C 34657345 IUFCROYKEMKEDI-UHFFFAOYSA-N 439.947 2.899 0 40 IFAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35570580 WXWONUZARXVLIM-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB O=C(NCc1ccco1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 36543607 HUIQEZPEAKRUCY-RPWUZVMVSA-N 442.519 2.819 0 40 IFAB biogenic O=C1COc2ccc(Cl)cc2N1CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 40080346 ZZQGWHINWUYDQG-HNNXBMFYSA-N 429.908 2.747 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)NCCc2ccccc2F)CC1 40120651 SZEIGNZKCCBBLY-QGZVFWFLSA-N 429.540 2.574 0 40 IFAB CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 40128718 AERMKNUDAOBFBI-CQSZACIVSA-N 428.455 2.874 0 40 IFAB O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccc1Cl 56997960 WHFQYLUDWXKOAM-UHFFFAOYSA-N 435.355 2.548 0 40 IFAB COCCn1nnnc1CN(Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 57615910 YHTYZFKQQZEITR-UHFFFAOYSA-N 432.528 2.980 0 40 IFAB O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N[C@@H](Cc1ccccc1)C(=O)O 61719480 PHEBCJJRPCWKLL-QFIPXVFZSA-N 427.460 2.876 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4OC)ncn3n2)cc1 67208722 SKXFJUNHRVIXNY-UHFFFAOYSA-N 433.468 2.776 0 40 IFAB COc1cccc(CNC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)c1 67301697 KMROGNOBBXPGDM-UHFFFAOYSA-N 441.915 2.732 0 40 IFAB CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)c3ccccc3)o2)CC1 72344878 AVEZCIZUFYPTRV-GOSISDBHSA-N 432.546 2.966 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@H](c4nnc(-c5cccs5)o4)C3)ccc21 72390525 MZMNNHYBGSAFFE-HNNXBMFYSA-N 444.538 2.750 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)N[C@H]3CCC[C@H]3C(=O)O)cc2)cc1 95970129 XTEDWTVICROTBJ-SYQSTGPFSA-N 444.509 2.879 0 40 IFAB CC(=O)NCCN(C(=O)c1ccn(-c2cccc(Cl)c2)n1)[C@H](C)C(=O)OC(C)(C)C 96004668 KQWDFFDOAKYWFO-CQSZACIVSA-N 434.924 2.834 0 40 IFAB C[C@@H](CNc1nc(NC[C@@H](C)N2CCOCC2)c2cc(Cl)ccc2n1)N1CCOCC1 96011509 QEOBSEGABWBLTI-SJORKVTESA-N 448.999 2.548 0 40 IFAB COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccccc3Cl)c(=O)n12 102813685 UZOQQYAEEPJMRW-PFXFWSGPSA-N 440.908 2.512 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1 219260416 JHTCVCCSIBQCSZ-MRXNPFEDSA-N 446.554 2.824 0 40 IFAB Cc1ccccc1OCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 223661757 IRFJTWZRNYIMPC-UHFFFAOYSA-N 430.448 2.975 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223823505 GXOIAHTUPULJGX-INIZCTEOSA-N 439.487 2.755 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(C)c(Cl)c2)Oc2ccccc21 260890752 QYHKOFKKZZZQSQ-LJQANCHMSA-N 438.933 2.761 0 40 IFAB O=C(CC(=O)c1ccc2c(c1)OCCO2)c1cnc(NS(=O)(=O)c2ccccc2)nc1 408529930 HZYXJILMTJMZDX-UHFFFAOYSA-N 439.449 2.504 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c(OC)c1 408657801 PJULIZDSKGOIDC-NVXWUHKLSA-N 426.469 2.795 0 40 IFAB CCO[C@H](C)c1noc(CN2CCN(C(=O)NCCOc3ccccc3Cl)CC2)n1 506606053 MSJYAPCQWOVELY-OAHLLOKOSA-N 437.928 2.727 0 40 IFAB CC(CC(=O)N(C)[C@H]1CCCc2c1cnn2C)CC(=O)N(C)[C@H]1CCCc2c1cnn2C 683448655 FWCJHWMWGNVSRT-PMACEKPBSA-N 440.592 2.942 0 40 IFAB CC1(C)CN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)[C@@H]1c1ccncc1 1526775031 BFQFANUWOZJFMC-NZQKXSOJSA-N 436.556 2.764 0 40 IFAB CC(=O)OCC(C)(COC(C)=O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 1642065 HHQBIFUBJNKSFA-BBITVKMKSA-N 447.487 2.764 0 40 IFAB COC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(C)c1 3426178 YSJWXLOTMZUNBH-UHFFFAOYSA-N 446.554 2.758 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NC[C@H]1CCCO1)OCO3 6445864 FKSXQMOPYXRJRY-MRXNPFEDSA-N 441.509 2.906 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccncc4)o3)cc2)CC1 9428087 ZCOZJNBTEIVXLI-UHFFFAOYSA-N 427.486 2.805 0 40 IFAB CN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)c1ccccc1 9519667 PZPWCSJZJWXMRH-UHFFFAOYSA-N 439.537 2.700 0 40 IFAB O=C(CSc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9661973 MQVNCMWPGOUTDQ-UHFFFAOYSA-N 433.580 2.922 0 40 IFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 9676688 GCJFQMLWRVBGII-UHFFFAOYSA-N 429.517 2.636 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(CC)noc2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 9683904 PBXUSHOBZICWBE-LJQANCHMSA-N 443.456 2.582 0 40 IFAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(OCC)c(OC)c4)nc32)cc1 9739098 WMKHOQOAGGJZAF-UHFFFAOYSA-N 449.467 2.681 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cn3nc(C)c(C)c3C)CC2)cc1C 10233300 ODYWKMXNEFCXFL-KRWDZBQOSA-N 432.590 2.594 0 40 IFAB O=C(C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)NC[C@@H]1CCCO1 11613404 WIJDXMGDZVVGDX-GJZGRUSLSA-N 445.932 2.568 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)Cc3nc4nc(C)cc(C)n4n3)CC1)O2 12154184 PAYOZJLWGMMANR-OAQYLSRUSA-N 449.511 2.565 0 40 IFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccn(C)n2)C1 12156790 FLDADVORSNDCBC-MBSDFSHPSA-N 442.491 2.928 0 40 IFAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc(OC)c1OC 12346588 NNEFYICSZWEJSR-LJQANCHMSA-N 427.432 2.502 0 40 IFAB O=C(Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCC3)NCc1ccco1 12389613 FCFZUXVWVIGPQG-UHFFFAOYSA-N 435.465 2.764 0 40 IFAB O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)NCc1ccc2c(c1)OCO2 12390669 RFMYSQKREZAEBC-UHFFFAOYSA-N 440.887 2.934 0 40 IFAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1=O 12600296 PFUSUBPWJPLBFT-CVBYOTHMSA-N 448.523 2.571 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)nn1-c1ccccc1Cl 12613745 JCHDNGUARKQZFM-UHFFFAOYSA-N 438.919 2.593 0 40 IFAB COCc1c(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)oc2ccccc12 12781667 RVROEVGNWNGOPY-UHFFFAOYSA-N 444.528 2.887 0 40 IFAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCN(c2ccncc2)CC1 12786335 OURIQTAGGQUIFQ-UHFFFAOYSA-N 437.550 2.930 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 12893971 UWTPQYVWRGTCAD-CYFREDJKSA-N 437.496 2.835 0 40 IFAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1cc(Cl)ccc1Cl 12930726 VQGLXRVLGSFPHY-RBZFPXEDSA-N 437.279 2.963 0 40 IFAB C[C@H]1CN(C(=O)[C@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)C[C@@H](C)O1 13131835 UFXIZVWOEISXKD-XHSDSOJGSA-N 425.558 2.852 0 40 IFAB CC(C)[C@@H](CO)NC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 13690228 NRFYFMRFUDQHKZ-MRXNPFEDSA-N 437.518 2.983 0 40 IFAB O[C@H](CNCc1ccccc1)COc1ccc(OC[C@H](O)CNCc2ccccc2)cc1 13763986 SPDPKQTVSTWZBZ-DNQXCXABSA-N 436.552 2.746 0 40 IFAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(Br)cs2)NC(=O)N1C1CC1 14123797 JVEUBBBVHHAICY-HNNXBMFYSA-N 426.336 2.872 0 40 IFAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCCCn2cnc3ccccc32)c1 14526037 CYBCXQQVGMMTGO-UHFFFAOYSA-N 449.540 2.716 0 40 IFAB O=C(N[C@@H](C(=O)O)C1CCS(=O)(=O)CC1)OCC1c2ccccc2-c2ccccc21 15446445 CFGFSMGWGYVIDH-HXUWFJFHSA-N 429.494 2.803 0 40 IFAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 16230711 CRWDGZGLMZLYSJ-UHFFFAOYSA-N 426.498 2.683 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1OC 18194755 QFWKCYJADTXTBJ-CSKARUKUSA-N 428.460 2.748 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3cnc(N(C)C)nc3)C1)O2 19019617 ZYTHJMACCLXDJV-XXBNENTESA-N 439.560 2.573 0 40 IFAB Cc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@@H]2C)c1 19235130 JJZWQJXLFLTGNE-YADARESESA-N 443.613 2.951 0 40 IFAB Cc1cc(C(=O)NCC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)c(C)o1 19567704 ZVAHJGHCOIVRTH-FQEVSTJZSA-N 433.468 2.538 0 40 IFAB Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1)CN(C(=O)CN1Cc3ccccc3C1)CC2 19701092 QGXZZXNASATZQL-UHFFFAOYSA-N 445.498 2.956 0 40 IFAB CCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005634 FMVRPCLSZDNRIX-IBGZPJMESA-N 434.558 2.900 0 40 IFAB CCOCCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 20457642 CTBVVMMALXWXMU-UHFFFAOYSA-N 447.395 2.534 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCSc2nnc(N3CCCC3)n2C2CC2)cc1 21694498 STIVCZHQHCIRBC-UHFFFAOYSA-N 437.591 2.635 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 21884348 CXPCKUKKKLTCIP-UHFFFAOYSA-N 435.484 2.920 0 40 IFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ccccc1C(F)(F)F 23701735 PFAYORYMDMHFSK-UHFFFAOYSA-N 427.375 2.862 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)CNc2ccc(-n3cnnn3)cc2)cc1 24983262 ZDAUMPZGZSOIPC-UHFFFAOYSA-N 443.467 2.974 0 40 IFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)[C@@H]1Cc2ccccc2CN1 35485239 SAPRKDGLPXUFSO-ZEQRLZLVSA-N 430.552 2.969 0 40 IFAB biogenic Cc1nc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(N2CCOCC2)n1 38488297 BGNVQXJMCNNDGU-UHFFFAOYSA-N 433.940 2.661 0 40 IFAB COc1ccc(C(=O)NCc2ccccc2N2CCCC2)cc1S(=O)(=O)NC1CC1 40157783 USWHCCHWMJYFLJ-UHFFFAOYSA-N 429.542 2.666 0 40 IFAB COc1ccc(CCNC(=O)Cn2cnc3cc(NC(=O)NC(C)C)ccc32)cc1OC 61718339 QSUATLMELGIFEG-UHFFFAOYSA-N 439.516 2.942 0 40 IFAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)N3CCc4ccccc43)C3=C2C(=O)OC3)cc1 67288999 FSMNGZBTSPRGAR-NRFANRHFSA-N 435.505 2.875 0 40 IFAB Cc1ccc(=O)n(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1 72393503 CENUNDRFPANVKP-UHFFFAOYSA-N 426.536 2.783 0 40 IFAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(CCN3CCN(C)CC3)c2)c1 95458024 OWAVZCXUHAFVNK-UHFFFAOYSA-N 437.544 2.646 0 40 IFAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2cccc(F)c2)CC3)C1=O 96144454 VNXOXAXBWIGBOH-HSZRJFAPSA-N 445.539 2.676 0 40 IFAB COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(c4ncc(C)cn4)CC3)O2)c1 96144633 MPHJAGRPQFAQJC-LJQANCHMSA-N 434.500 2.523 0 40 IFAB O=C(NCCc1ccc(F)cc1)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96145074 LOMFQJUANBRLPW-UHFFFAOYSA-N 447.532 2.531 0 40 IFAB Cc1ccsc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251363 MLIOLPZMCPCUHW-MBSDFSHPSA-N 439.585 2.732 0 40 IFAB Cc1cccc(CN2C[C@@H]3[C@H](C2)c2nc(N4CCC[C@@H](C)C4)ncc2CS3(=O)=O)c1 107260542 JOJUSWBOVWXJML-JRGCBEDISA-N 426.586 2.918 0 40 IFAB COc1cc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC 219966168 MXIVYCLGVFOTER-UHFFFAOYSA-N 448.541 2.568 0 40 IFAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222728964 HGIZCBOKQCPRFX-INIZCTEOSA-N 448.541 2.890 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCCC3=O)c(Cl)c2)cc1 224243493 DJQCXBCGAXKRPM-UHFFFAOYSA-N 449.960 2.826 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)C1 248322808 WZKRWHFOROLCRA-YBVYZSPJSA-N 426.513 2.743 0 40 IFAB O=C1CO[C@H]2CN(C(=O)C3(c4ccccc4F)CCOCC3)C[C@@H]2N1Cc1ccccc1 257203894 ASCLKDGIHUHDPD-VXKWHMMOSA-N 438.499 2.512 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)CC1 408589401 FKGVDMHUXBFOTA-IBGZPJMESA-N 437.565 2.851 0 40 IFAB CC1(C)CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)(C(N)=O)CC1 534764590 QKEOQCOZELNDSH-UHFFFAOYSA-N 440.521 2.618 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 1145618 LRHOREJRTCMJCN-UPUUWEMXSA-N 447.443 2.619 0 40 IFAB O=C(NCc1ccco1)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 2959192 KGYILCAFUXKCDU-CABCVRRESA-N 425.919 2.543 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 3290505 OTAKXXJRPHPSGT-QGZVFWFLSA-N 442.493 2.595 0 40 IFAB CCCCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2snc(C(N)=O)c2N)cc1 6481020 KDAJHWCUYOCCRT-UHFFFAOYSA-N 447.561 2.565 0 40 IFAB CCC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 6500956 ODCQJZHACLZTHE-KRWDZBQOSA-N 442.520 2.947 0 40 IFAB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(F)c1 9380940 LZFLVLKQKGDXEC-GOSISDBHSA-N 425.507 2.698 0 40 IFAB NC(=O)Cn1c(CSc2nnc(-c3cccs3)n2C2CC2)nc2ccccc2c1=O 9499653 CFXMCBJTRIARBG-UHFFFAOYSA-N 438.538 2.829 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2F)c1 9507674 PSWFYCJCUVXYNE-UHFFFAOYSA-N 431.283 2.856 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1 9539487 COTQABRAZDRAQL-UHFFFAOYSA-N 428.507 2.810 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2C1=O 10966188 JFZOOMLSQIVQFY-CQSZACIVSA-N 428.510 2.977 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cncc(Br)c1 11028033 WRNXHKQZGLPJJF-UHFFFAOYSA-N 440.681 2.751 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)C(C)(C)C)CC2)on1 12133123 HRLFNEVSVQUIKP-UHFFFAOYSA-N 426.565 2.944 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 12133210 MQWMFEJECYLQDU-UHFFFAOYSA-N 446.548 2.568 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCc4nc5ccccc5oc4=O)C3)cc2n1 12134470 GXYWTQVOQLCMJQ-OAHLLOKOSA-N 433.468 2.584 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)CCn3ncc4ccccc4c3=O)nn2c1O 12154122 LOSVNYWDULXSAV-HXUWFJFHSA-N 446.511 2.769 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 12236004 WQXTWTFJRTZVPB-CQSZACIVSA-N 437.465 2.679 0 40 IFAB NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 12526196 MQDUECUFOWTTSE-UHFFFAOYSA-N 439.740 2.692 0 40 IFAB CSc1ncccc1C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12935584 OFFOIHSGRQFNDV-UHFFFAOYSA-N 439.541 2.587 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1 12946517 LZGNDSKQOQEEHX-LJQANCHMSA-N 425.576 2.581 0 40 IFAB O=C(CN(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Br)cc1 12995304 RVMHZVWBDDDDGT-OAHLLOKOSA-N 427.320 2.670 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 13126607 STQROZLHZPJWHA-AWEZNQCLSA-N 440.550 2.741 0 40 IFAB O=C(c1ccco1)N1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 13504569 PKHBCAHWDRJRLC-JOCHJYFZSA-N 428.496 2.862 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)CCNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C 14136314 QBWQERGTTJZLNC-UHFFFAOYSA-N 445.585 2.960 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 14166745 HVEZLMIIDFMJFE-XMMPIXPASA-N 432.480 2.536 0 40 IFAB COc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)=O)CC4)cc1 19017951 GRMJWFNYCKLSPI-NRFANRHFSA-N 449.511 2.716 0 40 IFAB Cc1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)on1 19119841 RWXYKFGDTGNGAH-HNNXBMFYSA-N 439.541 2.706 0 40 IFAB O=C(C1CC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c2=O)C1 19348151 MYZLNFVLHYXQSR-HXUWFJFHSA-N 438.503 2.500 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2cccc(-c3cccs3)c2)C1=O 19503078 NEGKDNFIIKTRRF-FQEVSTJZSA-N 437.569 2.946 0 40 IFAB Cc1ccccc1OCCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692682 CHIUGEXDGBNLFX-NRFANRHFSA-N 448.527 2.677 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 19693030 ULFUYRVJSGPDAG-SFHVURJKSA-N 440.479 2.573 0 40 IFAB CCN(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930071 AVPZLDCEJRWPAJ-UHFFFAOYSA-N 426.922 2.684 0 40 IFAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 20726254 FXGYQOQKBPJDHM-IBGZPJMESA-N 433.917 2.954 0 40 IFAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)NC1CCCCC1 21731840 FXQUHQMOSZJZSL-OAHLLOKOSA-N 440.537 2.607 0 40 IFAB C[C@@H](NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)CCCC2 22812130 YQMIBMWGRBBANT-LJQANCHMSA-N 428.621 2.665 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2cnnn2)c1 32933492 KFEOWZSSTYSTNE-UHFFFAOYSA-N 440.529 2.868 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(Cl)nc3ccccn23)NC(=O)N[C@@H]1c1ccco1 32936182 DAGGBMSUFPMMKL-OAHLLOKOSA-N 444.831 2.609 0 40 IFAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)C1=O 33649660 AASJWTYYSTXDQP-LZYBPNLTSA-N 447.421 2.775 0 40 IFAB Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)Nc3nc4ccccc4s3)CC2)c1 40155895 OORUNFIMUNDKPL-UHFFFAOYSA-N 432.527 2.849 0 40 IFAB Cc1ccc(CNC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc1 56949844 WDCQRZWEFOLWHU-UHFFFAOYSA-N 447.535 2.966 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ncccc21)Nc1ccc(C(F)(F)F)cc1 57293575 CJTYWMOEBGKQQP-UHFFFAOYSA-N 444.369 2.857 0 40 IFAB COc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c(OC)c1 57506752 RVSTUQPOOVIGMP-UHFFFAOYSA-N 447.542 2.671 0 40 IFAB C[C@H]1CN(Cc2cccc(CNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 62290920 AAYDAVYVMASOAP-RDPSFJRHSA-N 435.568 2.615 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 64988695 DPKIABGYQJOPRV-FQEVSTJZSA-N 445.541 2.691 0 40 IFAB Cc1nc(C)n(C[C@@H]2CN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)CCO2)n1 72303620 XYEPZAKYOHVJSO-SFHVURJKSA-N 449.540 2.745 0 40 IFAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 95466708 KZJDVWUYHPYXMO-YJYMSZOUSA-N 436.890 2.789 0 40 IFAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(=O)Cc2ccc(C)cc2)CC3)C1=O 96144379 YNMCDEYNMMSDPT-SANMLTNESA-N 447.583 2.695 0 40 IFAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@H]1Cc2cc(Cl)ccc2O1 96911748 OQUXNLFPPWDPCK-SOQAFLNVSA-N 429.885 2.891 0 40 IFAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc2c(c1)OCO2 113481459 RUYBZGDMIYFSPF-ZIAGYGMSSA-N 443.550 2.653 0 40 IFAB Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223153295 OBINZYBLDJTVCZ-XZOQPEGZSA-N 449.580 2.883 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 224988824 XFSLZLSWQQKSJD-KRWDZBQOSA-N 447.557 2.715 0 40 IFAB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 238925937 UQGGIRGSJMNNRB-OAHLLOKOSA-N 444.387 2.584 0 40 IFAB CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)COc3ccccc3)CCN21 253394169 AORMAZGLTPZENH-NRFANRHFSA-N 436.556 2.582 0 40 IFAB biogenic,in-vitro CC(=O)N[C@H]1CC[C@](CNC(=O)c2snnc2C(C)C)(c2ccccc2)CC[C@@H]1O 257318149 VMRRFMDREQVBEW-SPEDKVCISA-N 430.574 2.769 0 40 IFAB Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)c1 306127783 GHLMCGKUXZZKNQ-VWLOTQADSA-N 438.572 2.777 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 408650892 CHFBFPWGWGJOME-HNNXBMFYSA-N 444.871 2.970 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 408704644 QUMVBFYPIAOSCP-UHFFFAOYSA-N 433.486 2.559 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)cc1 409260337 OWNNMBXVYPMUQT-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB Cc1ccc2c(C3=CCN(C(=O)C(=O)Nc4ccc5[nH]nc(C(N)=O)c5c4)CC3)c[nH]c2c1 534830444 TXDHRDAORKVUAU-UHFFFAOYSA-N 442.479 2.706 0 40 IFAB Cc1cc2c(cc1NC(=O)c1cc(-c3ccc(F)cc3)nn1C)N(C)S(=O)(=O)N2C 575613841 WITJZPOJADFSHV-UHFFFAOYSA-N 429.477 2.918 0 40 IFAB COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604403932 FCHXSQLYKMXCAZ-KRWDZBQOSA-N 441.484 2.540 0 40 IFAB biogenic C[C@]1(c2cccc(CNC(=O)N[C@H]3CC4(CCC4)Oc4ccccc43)c2)NC(=O)NC1=O 1119599348 GODCQFLPTMAYEJ-FDDCHVKYSA-N 434.496 2.987 0 40 IFAB COc1ccc([C@H](CC(=O)NCc2nnc3ccccn23)c2oc(C)cc(=O)c2O)cc1 1547138791 RWCHULJLVWWBQK-KRWDZBQOSA-N 434.452 2.544 0 40 IFAB biogenic CC(C)N1C(=O)c2ccccc2[C@H](C(=O)NC2COC2)C12CCN(Cc1ccccn1)CC2 1549167608 QHJJYGNFNKJTLX-HSZRJFAPSA-N 448.567 2.579 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)c2cc(C)nn23)c(OC)c1 1772596587 WNBAARNRFYHOOJ-UHFFFAOYSA-N 438.528 2.987 0 40 IFAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(c5cc(C(F)(F)F)nc(C)n5)C[C@@H]4C3)ncn2)n1 2086869113 TYIFLIMIFFRGRJ-HOTGVXAUSA-N 444.465 2.969 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N(CCO)C[C@H](O)Cn1c2ccccc2c2ccccc21 794378 DWAPVFVWQMMKKT-SFHVURJKSA-N 442.512 2.978 0 40 IFAB COc1ccccc1C(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335009 YNNQAENLXSDTPM-QGZVFWFLSA-N 444.495 2.591 0 40 IFAB O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(I)cc1 2674866 ZYBWGKJIGLOASS-UHFFFAOYSA-N 444.294 2.929 0 40 IFAB COC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)sc2c1CCC2 3252921 MSDBYQPUBDRXBY-UHFFFAOYSA-N 433.530 2.997 0 40 IFAB CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)CC(=O)Nc1ccc(F)c(F)c1F 3389983 YHOPFMXWBLTDAT-UHFFFAOYSA-N 431.317 2.934 0 40 IFAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O 3416530 ZNKRMFJRLKSYPN-UHFFFAOYSA-N 430.844 2.907 0 40 IFAB CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6501190 HGPCTGZSDQMALQ-HNNXBMFYSA-N 449.552 2.941 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 8754592 JJRYWDJTFJRNTJ-UHFFFAOYSA-N 446.479 2.606 0 40 IFAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 8816848 AXBPVHAAXATKIW-WMZOPIPTSA-N 427.844 2.646 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)CC2=O)cc1 9288733 NKVMEBXJBBUQJV-MRXNPFEDSA-N 440.452 2.650 0 40 IFAB O=C(c1n[nH]c2ccccc12)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9336890 QLRZIDVKCSOXFE-UHFFFAOYSA-N 434.887 2.725 0 40 IFAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1cn2cc(Cl)ccc2n1 9463705 HKZQIMCAWANHNX-UHFFFAOYSA-N 432.889 2.550 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9561871 MLCGEXAPPSPVOE-LJQANCHMSA-N 449.484 2.578 0 40 IFAB CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nc2cc(S(N)(=O)=O)ccc21 9669991 OVMUMYDOACOOQC-CYBMUJFWSA-N 430.555 2.774 0 40 IFAB O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc3c2N1CCC3 9708745 CYHWZLXDCFZAHZ-UHFFFAOYSA-N 429.517 2.562 0 40 IFAB c1cc2c(cc1Nc1nc(Nc3ccc4c(c3)OCO4)nc(N3CCOCC3)n1)OCO2 9708849 QFVLFZRCNPILAI-UHFFFAOYSA-N 436.428 2.653 0 40 IFAB O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn12)NC[C@H]1CCCO1 9829122 CNFRIKFASXCWDO-CQSZACIVSA-N 448.346 2.941 0 40 IFAB COc1cc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)cc(OC)c1OC 10041104 GHSJOYKMSWZWSP-UHFFFAOYSA-N 444.469 2.939 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1C 11906034 CWQSSJQFLFNNQA-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1 12234502 FXBWLIRLBYYIAC-UHFFFAOYSA-N 425.426 2.802 0 40 IFAB O=C(N[C@H](CO)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 12390801 WFLWIFJWWAGFOI-OAQYLSRUSA-N 428.485 2.768 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 12814898 LUMIDHLMPBZNOY-UHFFFAOYSA-N 448.552 2.943 0 40 IFAB COc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1 12875238 SOZACJLVZKGICM-UHFFFAOYSA-N 432.904 2.559 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1C 13138195 GXGNIMXWUDKESX-UHFFFAOYSA-N 446.554 2.716 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccccc2O)cc1 13575667 VRISDNOVBZZIIK-JOCHJYFZSA-N 433.464 2.540 0 40 IFAB COc1cc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O 13728449 ALHQOFJOQVBCSN-PGRDOPGGSA-N 426.494 2.645 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O 15351173 WJRMAKJXFOUZHU-HNNXBMFYSA-N 440.500 2.863 0 40 IFAB Cc1c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(=O)n(-c2ccccc2)n1C 15627847 DKVOSEWQDYWDIW-UHFFFAOYSA-N 429.436 2.579 0 40 IFAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)CCN5CCCC5=O)CC4)c(=O)c23)C1 19497202 FLNPZQBYMHSTIT-HNNXBMFYSA-N 442.585 2.759 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 19529754 FNDRMHMJFIHCSU-UECWXEIQSA-N 438.455 2.800 0 40 IFAB CC(=O)N1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1 22226155 IERZGKDLSWLVKA-UHFFFAOYSA-N 443.598 2.921 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3ccsc3)no2)C1=O 23881939 BLJVOSPFEPPOPX-NRFANRHFSA-N 439.497 2.705 0 40 IFAB COc1ccc([C@@H](CC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)NC(C)=O)cc1 28138435 SMNIPFKTKNWWFC-GOSISDBHSA-N 429.860 2.667 0 40 IFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30942627 DSKSTDZVDJSFFY-IBGZPJMESA-N 445.541 2.771 0 40 IFAB COc1ccc(OC)c2c1CN(Cn1nc(N(C(C)=O)C3CC3)sc1=S)C[C@H]2O 31783537 LPAGAENGXLXQLU-CQSZACIVSA-N 436.559 2.713 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)C1 33005309 HDELAIDSIBPCEG-KRWDZBQOSA-N 430.526 2.927 0 40 IFAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 33064592 AFCSNPDPDRQEEE-UHFFFAOYSA-N 427.461 2.641 0 40 IFAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OC)c1OC(=O)N(C)C 33417289 GMOOTWXSTXZEEG-BOPFTXTBSA-N 425.466 2.535 0 40 IFAB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc(F)cc1 34838061 ZPUIQBHQSAJUFT-QSNWEANLSA-N 425.847 2.910 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 38772613 RJETZBQSTYUEFH-SFHVURJKSA-N 446.569 2.821 0 40 IFAB Cc1oc2cc3c(C(=O)N4CCN(C)CC4)c(C)oc3cc2c1C(=O)N1CCN(C)CC1 57496784 LMFJCYFYJSIDAR-UHFFFAOYSA-N 438.528 2.571 0 40 IFAB CCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)n1 58328868 MNYZXAAQQVAIIT-UHFFFAOYSA-N 444.513 2.738 0 40 IFAB CCCCn1c(SCC(=O)NC2CCN(C(=O)OCC)CC2)nc2cc(C)[nH]c2c1=O 67239331 SAEBWHTVAOWMJD-UHFFFAOYSA-N 449.577 2.662 0 40 IFAB CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)cc1 72232589 BLLKBIBOHGGASO-UHFFFAOYSA-N 445.541 2.756 0 40 IFAB COCCn1nc([C@H]2CCCN(C(=O)NCc3ccc(Cl)cc3)C2)n(C2CC2)c1=O 77151210 PWRFIEHOQXRETE-INIZCTEOSA-N 433.940 2.769 0 40 IFAB O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC[C@H](NCc2ccccc2)C1 79096488 PYDPXGHPUAXYGQ-SFHVURJKSA-N 433.599 2.927 0 40 IFAB CCCc1ccc([C@H](C)N(CC(N)=O)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 84758992 JKBGAEPSDGGEKZ-HNNXBMFYSA-N 449.548 2.669 0 40 IFAB O=C1C[C@H](N(O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C(=O)N1c1ccc(Cl)cc1 96786947 NLJPYVXYHVMUHZ-HOTGVXAUSA-N 448.262 2.649 0 40 IFAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102957132 KVAPTMPALFFXED-IYBDPMFKSA-N 425.437 2.994 0 40 IFAB CSCC[C@H](CO)NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 208193728 YDTSSYCTIGBFBS-CQSZACIVSA-N 435.542 2.814 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222939321 PNQPNMVEYGQHAX-FQEVSTJZSA-N 445.585 2.623 0 40 IFAB COc1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c(OC)c1OC 223940645 JLSDXJMBZQJVQN-UHFFFAOYSA-N 440.543 2.871 0 40 IFAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 224996144 IPESBJSXDFKTAL-SFHVURJKSA-N 431.558 2.933 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCN(C)c1ccccc1 225566395 UKDQICTUVZDCCT-UHFFFAOYSA-N 445.585 2.665 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1Cl 225582545 QYZFYSZLPAAXCY-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCCN3CCOCC3)n2)C1 225905605 HJLCFCUXKDIKCU-ZIAGYGMSSA-N 446.543 2.596 0 40 IFAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(C)nc(N)n1 257274696 NMELOQXEHRVECK-YLYPHGCXSA-N 433.556 2.983 0 40 IFAB O=C(N1CCO[C@@H](c2cnccn2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 257285837 PJCPSOBBOGXUMM-GOSISDBHSA-N 435.933 2.817 0 40 IFAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)CC1(CC(=O)O)CCCC1 257299867 RRZPRXDEPPSFAT-UHFFFAOYSA-N 440.544 2.845 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408551017 GSNFJRVJTQPMNA-LBPRGKRZSA-N 440.905 2.831 0 40 IFAB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O 409228467 AKXAKDJDONXETC-NTEUORMPSA-N 429.878 2.973 0 40 IFAB O=C(c1cnc2ccccc2n1)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 585500956 UFUFHOCEMSMVHO-UHFFFAOYSA-N 426.480 2.801 0 40 IFAB O=C1NCCN(C(=O)c2ccc(Cn3cncn3)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 677621738 SYODABGSYIQJFQ-GOSISDBHSA-N 429.402 2.659 0 40 IFAB O=C1COc2c(cc(C(F)(F)F)cc2NC(=O)N[C@H](CO)C[C@H](O)c2ccccc2)N1 1669117864 YAZBDFQDZQDMIC-BBRMVZONSA-N 439.390 2.642 0 40 IFAB COc1cccc(NC(=O)N2CCCN(c3ccc4nnc(-c5ccncc5)n4n3)CC2)c1 1775974241 NVHIRIPZSDLITJ-UHFFFAOYSA-N 444.499 2.939 0 40 IFAB Cn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3cc(F)ccc3F)s2)c(=O)n(C)c1=O 2659405 VHZSGKZAKFLRSQ-UHFFFAOYSA-N 446.479 2.957 0 40 IFAB COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl 3014168 QEQLEBYWWQDXHH-NSHDSACASA-N 427.741 2.727 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1c(F)cccc1F 3437300 NWUHLEFOPKJUDL-UHFFFAOYSA-N 438.452 2.935 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NCCC(=O)c3ccccc3)cc2)nc(OC)n1 8695398 XSWLSCSKRVPQFP-UHFFFAOYSA-N 442.497 2.980 0 40 IFAB O=C(Nc1nc2cc3c(cc2s1)OCO3)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8897706 UNAGHSDYSXZAJJ-AWEZNQCLSA-N 449.485 2.956 0 40 IFAB Cc1ccc(NCC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 9121331 KHIWRNWCTVDZIA-UHFFFAOYSA-N 441.912 2.859 0 40 IFAB O=C(COC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9438969 QJNBMLLBCHTRCZ-UHFFFAOYSA-N 426.878 2.903 0 40 IFAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 9525956 RKDKJZMXDZLZLQ-HNNXBMFYSA-N 444.871 2.970 0 40 IFAB Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc2n1 9778568 BLHSKTDNFNPFSX-OAHLLOKOSA-N 437.529 2.658 0 40 IFAB CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)[C@H]1CCS(=O)(=O)C1 9962380 DAEAWKOMNJOUNC-INIZCTEOSA-N 436.603 2.517 0 40 IFAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C 10272346 JRYHROXPIHJRPE-UHFFFAOYSA-N 435.459 2.553 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2ccc(-c3ccc(OCC)cc3)nn2)CC1 12140469 YNAVRRQPRCMBAM-UHFFFAOYSA-N 430.530 2.935 0 40 IFAB C[C@@H]1CCCN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2Cc2ccco2)C1 12945605 PJGZKFKEFCXDFS-CQSZACIVSA-N 434.566 2.872 0 40 IFAB CCn1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)c1C 13040219 OAIBFKBDZVJNTC-UHFFFAOYSA-N 426.469 2.797 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2)C1 13057090 ACIMZKZQJAMAGT-HOTGVXAUSA-N 433.530 2.705 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(=O)[nH]n2)c1 13150155 CMVWMQDVHRGZIC-UHFFFAOYSA-N 432.889 2.891 0 40 IFAB Cc1oc2cc(OCC(=O)N3CCNC(=O)C3)ccc2c(=O)c1-c1ccc(Cl)cc1 13691438 REWUZDBWOIQOTK-UHFFFAOYSA-N 426.856 2.759 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 14013729 ICBLDBUWFBKEJA-IYBDPMFKSA-N 447.532 2.636 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccco1 14109153 HGBXRICAMFVROM-MRXNPFEDSA-N 427.530 2.726 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 14425115 FYVINFVPNCXZKY-UHFFFAOYSA-N 440.525 2.624 0 40 IFAB C[C@H](NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1)C12CC3CC(CC(C3)C1)C2 16050699 QSKRVUNJERYGKA-HIGJEIRPSA-N 434.558 2.936 0 40 IFAB COC(=O)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1 16742142 YIXGKRINCZLYEZ-UZYLVVNOSA-N 449.488 2.673 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1C 16795099 ZGADJZVMLRKTHB-CYBMUJFWSA-N 427.457 2.727 0 40 IFAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)c1 19234719 HHXZYLBCOHDBIM-HSZRJFAPSA-N 443.551 2.938 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2cnccn2)CCO1 19529329 JZWKQVUXBSGCFN-VWLOTQADSA-N 430.508 2.734 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1 19694810 CTXNTYNPEYKODA-GOSISDBHSA-N 434.544 2.900 0 40 IFAB CNc1cc(C(=O)NCC[C@@H]2C[C@H](NC(C)=O)C[C@H](c3ccc(OC)cc3)O2)ccn1 19712411 QIMUMZCVTLMJTK-CEWLAPEOSA-N 426.517 2.677 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1C 20107545 CQFGWEIEDHHEKS-UHFFFAOYSA-N 440.543 2.598 0 40 IFAB COc1ccc(CCNC[C@H](O)COc2ccc3c(C)cc(=O)oc3c2C)cc1OC 20727839 HAUFJXSHOCQVGS-SFHVURJKSA-N 427.497 2.999 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(NC(C)=O)cc2)c1 22230009 TZXXYTQZFMTRNS-IBGZPJMESA-N 431.514 2.754 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22529251 KHEKQMWVNNPTGO-HZPDHXFCSA-N 448.541 2.888 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](c3ccccc3)N3CCCC3)C2=O)cc1 23737946 TZAKCOCVUXEYLM-BWKNWUBXSA-N 434.540 2.715 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1cccc(I)c1 25054145 VBESKEKGCKYPKX-UHFFFAOYSA-N 441.313 2.564 0 40 IFAB Cc1nc(SCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)sc1CC(N)=O 32871373 WDTIKPJPZZAYED-IBGZPJMESA-N 435.571 2.856 0 40 IFAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 32969296 GPWNGCRRGLXVAR-VWLOTQADSA-N 444.491 2.704 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 35898189 YWBPPUGIRVBOCM-XQTRSNPVSA-N 426.513 2.753 0 40 IFAB COC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc(C(=O)OC)c1 40062630 MYOJYHZVJINRQM-UHFFFAOYSA-N 430.482 2.812 0 40 IFAB CN(CCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44917000 IWFDPESZETZXFM-IBGZPJMESA-N 437.949 2.510 0 40 IFAB Cc1cc2ccccc2n1CCNC(=O)CN1CCN(c2ccc3c(c2)OCCO3)C1=O 49389547 RWEFQCTWRJNPCK-UHFFFAOYSA-N 434.496 2.779 0 40 IFAB O=C(CCS(=O)(=O)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1)NC1CC1 58016242 VTFXUPNJFOJTJV-UHFFFAOYSA-N 431.436 2.772 0 40 IFAB CCN1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 58210582 SYBWQLYSKVRZMG-IBGZPJMESA-N 429.565 2.552 0 40 IFAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccccc3-n3c(C)c[nH]c3=O)c2C)n1 58289509 VYDFGGPTQMTZMR-UHFFFAOYSA-N 431.500 2.865 0 40 IFAB CCCCN(CC)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 62582544 FGRTVESBYQIVGZ-UHFFFAOYSA-N 430.574 2.855 0 40 IFAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4cc(Cl)ccc4C)CC3)NC2=O)c1 64965744 UULPEUHDEKXBQF-UHFFFAOYSA-N 447.944 2.757 0 40 IFAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228495 KMRUUISRXBKRFN-KRWDZBQOSA-N 441.915 2.828 0 40 IFAB COC(=O)CCN(C[C@@H]1CCCO1)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12 84065471 PBHWITBDLLURHI-KRWDZBQOSA-N 448.589 2.689 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2[C@@H](NC(=O)c2ccc(OC)nn2)C(C)C)nn1 89801795 KOJBEUIPQFRLGE-FQEVSTJZSA-N 436.472 2.663 0 40 IFAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)c2ccccc2Cl)CC1 95469850 UJDBZUQSOFVTKJ-UHFFFAOYSA-N 435.933 2.975 0 40 IFAB C[C@H](C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 95482552 CMPNVSPWUSWUOX-QGZVFWFLSA-N 431.558 2.953 0 40 IFAB O=C(O)c1cnn([C@H]2CCCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)C2)c1 95982570 ACMFQCOSGHSTCM-KRWDZBQOSA-N 438.440 2.669 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(SC(F)F)cc1 102283151 FVPDUYGFBZBKKM-KBPBESRZSA-N 426.441 2.658 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccccc1CN1CCc2ccccc21 102783148 YMDLGCXXGKIUIB-MQQADFIWSA-N 427.504 2.995 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@@]23C=C[C@H]1O3 108235114 KRMUSJBFIHWDDU-UDFVPUEDSA-N 441.531 2.851 0 40 IFAB biogenic COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)c1 220217990 WHHXXAKTJHCHAA-IRXDYDNUSA-N 434.558 2.996 0 40 IFAB COc1ccc(C)cc1N([C@H](C)C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 220330651 UEUBLPKJFIHZEU-GOSISDBHSA-N 431.558 2.507 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 222812243 TZBJMWVMCVRIDO-IBGZPJMESA-N 432.542 2.875 0 40 IFAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CCN(c4ccccc4)CC3)s2)c1 223192573 KUQHHSVOOCLDFT-UHFFFAOYSA-N 443.554 2.610 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc2c(c1)OCCO2 223324095 PDFVOOSDYPNLGI-UHFFFAOYSA-N 446.525 2.822 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1I 223982610 FAEXASWTCZTVRA-UHFFFAOYSA-N 447.294 2.966 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 224013368 NFYRZIJXYIJFOQ-INIZCTEOSA-N 434.558 2.996 0 40 IFAB COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 224347421 HQWCIAXXZULCGX-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 224899190 PZDIPHSIBHYCGJ-MRXNPFEDSA-N 442.541 2.660 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1 225822297 PORURNUPPJUABK-UHFFFAOYSA-N 443.525 2.707 0 40 IFAB COc1cccc(OC)c1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226081722 WUUDHRFRZAWJSF-HNNXBMFYSA-N 436.505 2.560 0 40 IFAB CCc1nccn1CCC(=O)N(C)[C@@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@H]1O 257281562 OPVMMZOGOJOZBD-TZBSWOFLSA-N 440.588 2.672 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3SC(=O)NC3=O)CC2)on1 257328009 XDTLGTTWDQUKPN-CKEIUWERSA-N 443.529 2.880 0 40 IFAB O=C(NCCCN1CCOCC1)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 306127982 GMVNPFLLONFRMT-UHFFFAOYSA-N 444.539 2.698 0 40 IFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 409140422 FDHLCLAXCMHRJJ-ZDUSSCGKSA-N 447.285 2.993 0 40 IFAB Cc1ccccc1C1(C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)CCOCC1 551674617 GKPQRNKEACBGLV-UHFFFAOYSA-N 442.581 2.878 0 40 IFAB CC[C@H](NC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc(S(N)(=O)=O)c1 563323765 NTHZXVXKRFZVJH-RBUKOAKNSA-N 446.529 2.724 0 40 IFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)C2)n1 585340394 VHUQTLNAWXZWDW-LJQANCHMSA-N 431.558 2.888 0 40 IFAB CC[C@H](NC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccccc1OCC(=O)N(C)C 1223877548 KCTNJTNDQMDGQT-VCOUNFBDSA-N 447.576 2.614 0 40 IFAB O=C1Nc2ccc(F)cc2C[C@H]1C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 1638315569 DHXMZPWJBQZGHU-RHSMWYFYSA-N 435.377 2.655 0 40 IFAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(Cc2nnc([C@H]3CCOC3)o2)CC1 2298104764 MRPFCCLRSFWYOP-INIZCTEOSA-N 427.480 2.643 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)c5cccs5)C4)nc32)cc1 1334327 QSWJSUKRCYJOBF-MRXNPFEDSA-N 434.525 2.953 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 9219027 JUQZXDSUTPOKPX-UHFFFAOYSA-N 429.527 2.523 0 40 IFAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCc1ccccc1 9448791 DHJHDWGJUIOZEX-YWBKXGLFSA-N 437.565 2.899 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1S(N)(=O)=O 9491653 PAZDMJBZTAEPHD-UHFFFAOYSA-N 444.840 2.816 0 40 IFAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9742406 LOKGBAOKISBNBA-UHFFFAOYSA-N 427.511 2.543 0 40 IFAB CCOCCCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 10271960 PVWMUSRPBWEBSV-UHFFFAOYSA-N 443.935 2.895 0 40 IFAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1N1CCCC1=O 10378197 JKQQLCWLLIFAET-UHFFFAOYSA-N 437.525 2.672 0 40 IFAB O=c1cc(CSCc2cc(=O)n3ccsc3n2)nc2ccc(Br)cn12 12529482 OQLWOVZZEHLUDP-UHFFFAOYSA-N 435.328 2.960 0 40 IFAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2NC(=O)C12CCCC2 12935708 GCYXJGRGULCVSV-UHFFFAOYSA-N 436.497 2.758 0 40 IFAB CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 13085211 RHVQIRBNZOWFEP-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)cn2)cc1 13809113 QVEVFDQEJVJJCJ-UHFFFAOYSA-N 432.524 2.653 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCc2ccccc21 15186349 GWSGRYQOIVFYHG-QGZVFWFLSA-N 442.537 2.996 0 40 IFAB COc1ccc(CN(C)C(=O)CSc2nnc3[nH]c4ccccc4n23)c(OC)c1OC 15565604 VRDRYBPKGDSESM-UHFFFAOYSA-N 441.513 2.987 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 17010355 IFVNNLPMQAPJFZ-UHFFFAOYSA-N 443.525 2.523 0 40 IFAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)C[C@@H](C)n3nc(C)nc3C)C2)C1 19285653 ABKOXXYSAORASP-MWTRTKDXSA-N 425.533 2.648 0 40 IFAB CCS(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(F)c2)C(=O)CC3)C1 19738921 PTYAHDNVLRGTCE-MRXNPFEDSA-N 432.521 2.543 0 40 IFAB Cc1nc(C2CCN(S(=O)(=O)C3CCCC3)CC2)nc2c1CCC(=O)N2CC1CC1 19739361 OJQMUUNSTBLZKK-UHFFFAOYSA-N 432.590 2.926 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)Nc1ccccc1F 19764905 TZXQAYSOWZYJNP-LJQANCHMSA-N 439.491 2.852 0 40 IFAB CCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930333 LDSCUBXJBSUBDF-UHFFFAOYSA-N 439.921 2.956 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(N3CCCC3)n2C2CC2)n1 22989088 LAIFRUQOQMRUCQ-UHFFFAOYSA-N 436.563 2.506 0 40 IFAB CCOc1ccc(NC(=O)CN(C)C(=O)CCn2c(=O)oc3ccccc32)cc1OCC 23533352 IXBGSKBZZXVFRB-UHFFFAOYSA-N 441.484 2.879 0 40 IFAB CC(C)[C@@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1 24758411 QYPDCIZKPHNWTB-JOCHJYFZSA-N 425.529 2.682 0 40 IFAB CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OCCC 24849365 AMFDLQXUAPIOQZ-UHFFFAOYSA-N 431.489 2.572 0 40 IFAB COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)N2CCOCC2)cc1 29993396 KGOYATRMTQLMTA-REWPJTCUSA-N 437.540 2.546 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3cc(Cl)ccc3c2=O)NC(=O)N[C@H]1c1ccco1 32841195 LIOBTKMYBKIJFH-KRWDZBQOSA-N 428.832 2.514 0 40 IFAB CCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc(OC)cc3)nnc12 35528676 DYAMOLKRLXWMOV-UHFFFAOYSA-N 425.514 2.773 0 40 IFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(Cc2ccccc2)CC1 40017879 OYBAKLFFMGJPGL-QGZVFWFLSA-N 427.570 2.566 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 48375021 MNYWZSXBBHNLQT-HDICACEKSA-N 426.561 2.645 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316697 IXNADQDNDUYXCR-UHFFFAOYSA-N 435.465 2.626 0 40 IFAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 57606972 NCORSGGMHJJTFL-FQEVSTJZSA-N 434.500 2.797 0 40 IFAB C[C@@]1(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)NCCc2c1[nH]c1ccccc21 57731602 MYTDKUUBKDVOIG-XMMPIXPASA-N 430.508 2.670 0 40 IFAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCCCC3)c(C)c12 58312967 JAKXGQZEVUEUAS-HZPDHXFCSA-N 448.614 2.567 0 40 IFAB CCCOc1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)cc1OCC 58377549 LLFVQGYWDSVBOA-UHFFFAOYSA-N 434.533 2.748 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 68776130 DHYJKPXTLSZGDD-UHFFFAOYSA-N 449.523 2.714 0 40 IFAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cn(C)c2ccccc12 77171699 MNAPXXTXTFOQJH-JOCHJYFZSA-N 447.539 2.663 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)s1 77196319 QQTWBARZMFLGSX-UHFFFAOYSA-N 435.556 2.556 0 40 IFAB COc1ccc([C@@H](CNC(=O)CCC(=O)N[C@@H](C)c2ccccc2)N2CCOCC2)cc1 89905551 NHDAVPBWXWQGCW-WMZHIEFXSA-N 439.556 2.842 0 40 IFAB O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)NCCc1cccs1 90610096 VOGQVWHNGBXADT-UHFFFAOYSA-N 425.535 2.864 0 40 IFAB CS(=O)(=O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)o2)cc1 95973452 HBMNTYFKDZTDJN-MRXNPFEDSA-N 441.509 2.666 0 40 IFAB CNC(=O)Cc1csc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)n1 206600233 SOGNVIMUUWQAEH-UHFFFAOYSA-N 436.541 2.744 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)NCCCN(C)c2ccccc2)S(C)(=O)=O)c1 220114788 SZYXVWCHIAFKAO-UHFFFAOYSA-N 433.574 2.883 0 40 IFAB COC(=O)c1cn(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c2ccccc12 222622067 QPHVFZAZKOHZRS-LJQANCHMSA-N 428.466 2.604 0 40 IFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 223843050 CFMYKIBCAIZLHE-UHFFFAOYSA-N 440.905 2.694 0 40 IFAB CCN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c(C)c2)CC1 224225290 NFYXVFQZQATCBD-UHFFFAOYSA-N 431.558 2.606 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cc1 224518371 RGPXFFRRRSQBAT-UHFFFAOYSA-N 429.586 2.669 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224658565 WUFOVRMUEUPWHK-LJQANCHMSA-N 445.585 2.559 0 40 IFAB COc1ccc(C)cc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224764238 MEEGXMXYCNIWLS-UHFFFAOYSA-N 434.558 2.883 0 40 IFAB COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 225488791 XVISNPPJOSAXKU-UHFFFAOYSA-N 434.533 2.984 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(-n4ccnc4)cc3)C2)cc1 225521295 BQLHNORUVGIFPW-HXUWFJFHSA-N 438.553 2.898 0 40 IFAB O=C1CCCN1Cc1cn(C2CN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)C2)nn1 225631173 RTPOYEHJUUPOTP-UHFFFAOYSA-N 427.936 2.949 0 40 IFAB O=S1(=O)CC[C@H](S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)C1 247309078 HYUVTUBBICEMDR-WMZOPIPTSA-N 442.534 2.915 0 40 IFAB CCn1nc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)cc1C 257262740 LMQVPAWJXFHTMU-SONWIMMPSA-N 440.588 2.515 0 40 IFAB COc1ccc2nc(C)c(C(=O)N3CCC[C@@H](CC(=O)NCc4nonc4C)C3)cc2c1 257304433 SLQISHGTBVIOAD-INIZCTEOSA-N 437.500 2.802 0 40 IFAB CC(C)(C)C1CCN([C@H]2[C@H](NC(=O)c3cc[nH]n3)C[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 257337945 YVCKJKDGHUIJOV-CZYKHXBRSA-N 444.551 2.986 0 40 IFAB COc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 306134886 OAMZMLMXGOEXAZ-AHWVRZQESA-N 444.535 2.882 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3OC)C2)c1 408555359 ANTHSOWYJYSXFM-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccccc2)cc1 408621338 RLWWECAYESNKSW-UHFFFAOYSA-N 442.541 2.684 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 408659679 MPOAERPWCVHDPT-UVPINQTDSA-N 444.915 2.962 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ncc(C)s1 409151579 HETLUMNJJNJERU-UHFFFAOYSA-N 430.559 2.653 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc(OC)c1OC 409216387 KQDJATXYLYEDBX-SXGWCWSVSA-N 432.454 2.658 0 40 IFAB O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 540954631 NGDJKZYNWZWPGN-IRXDYDNUSA-N 439.470 2.511 0 40 IFAB Cc1cc(C)nc(Nc2nccnc2C2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)CC2)n1 585292861 SZAXYCAHTRDGLX-VOTSOKGWSA-N 446.559 3.397 0 40 IFAB O=C([C@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CCc2cccc(C(F)(F)F)c2C1 1631532097 CKSVTNOGRBGEDH-QGZVFWFLSA-N 434.418 2.781 0 40 IFAB Cc1cccc(C(=O)N2CCN3CC(=O)Nc4cc(-c5cnn(C)c5)ccc4OC[C@@H]3C2)c1 1772594734 VCFXMNPZULWPHL-NRFANRHFSA-N 445.523 2.553 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888906338 LLDHZNMZIQWMNH-OKILXGFUSA-N 432.402 2.603 0 40 IFAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 1091277 ZXDWYLKMSMCSPR-UHFFFAOYSA-N 430.526 2.661 0 40 IFAB COc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 1859466 XMZMPBMIZWCQCO-UHFFFAOYSA-N 425.268 2.591 0 40 IFAB CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 8825314 GAYBZBXVLLQXRJ-VMFRVMOISA-N 436.555 2.667 0 40 IFAB COc1ccc(CCNC(=S)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 9466655 YHRDCRXLYTYEGM-LDADJPATSA-N 445.610 2.731 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 9526005 ZVRYTHBGTSMJGX-QGZVFWFLSA-N 436.464 2.820 0 40 IFAB O=C(CCC1CCCC1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569808 JCVRTLOODJINLJ-UHFFFAOYSA-N 427.998 2.878 0 40 IFAB COCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713239 NTHROCZVXNQKAI-UHFFFAOYSA-N 429.480 2.760 0 40 IFAB COc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1=O 9808689 KJPVOPSVOGQSAF-UHFFFAOYSA-N 448.248 2.548 0 40 IFAB O=C(CN1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9952664 DHFLICDFCIPIQU-SFHVURJKSA-N 437.562 2.557 0 40 IFAB CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)c1nc2nc(C)cc(C)n2n1 9961358 NLCDPBLSZFXLPK-UHFFFAOYSA-N 431.294 2.604 0 40 IFAB CC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)cn23)n(C)c1=O 10271868 QEDREHWDRYOOIK-LLVKDONJSA-N 433.390 2.616 0 40 IFAB COc1cccc(C(=O)N(CCN(C)C)c2nc3c(S(C)(=O)=O)cccc3s2)c1 10337318 VYGPZGIQZDSVTF-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB CCOc1cccc2cc(C(=O)NCCCn3nc(-c4ccncc4)ccc3=O)c(=O)oc12 11746560 GGTCJLBXRFBKNP-UHFFFAOYSA-N 446.463 2.631 0 40 IFAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1C 11978267 XWCKPBLPWJFPNZ-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)cc2n1 12257487 NXNUHFDHQYJXQW-ZDUSSCGKSA-N 431.484 2.831 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 12751639 LWEVKMOPLRVUJC-UHFFFAOYSA-N 427.476 2.784 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 12784250 BIXCZJRAOPICOT-UHFFFAOYSA-N 449.532 2.877 0 40 IFAB O=C(CC1(CC(=O)N2CCOCC2)CCCC1)O[C@@H](C(=O)NC1CC1)c1ccccc1 12851069 JVRNRNFWKDPHRR-JOCHJYFZSA-N 428.529 2.749 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 12893983 UWTPQYVWRGTCAD-YADARESESA-N 437.496 2.835 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 12976991 RVJAXJAPQVEPFO-QFIPXVFZSA-N 439.523 2.910 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)cc1 12995631 UXHVLWUVDGWHPR-UHFFFAOYSA-N 432.929 2.957 0 40 IFAB COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2nccs2)c(OC)c1 13151133 ZDONHKORGLCCRW-UHFFFAOYSA-N 448.545 2.827 0 40 IFAB O=C(OCCOc1cccc(Br)c1)c1ccccc1CN1C(=O)CNC1=O 14014305 UFFTXXKGXXXARB-UHFFFAOYSA-N 433.258 2.737 0 40 IFAB COc1cccc(-n2cnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 14640508 OAHIDJZHHCWFGO-UHFFFAOYSA-N 445.589 2.519 0 40 IFAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nnc(SCc2ccccc2F)s1 16685372 PGXUXGAMARWYER-UHFFFAOYSA-N 435.506 2.773 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(C)cc1 17102216 LAQKGFKJWVBQDK-SFTDATJTSA-N 438.503 2.663 0 40 IFAB Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1 19234501 PEZAJXVMPSXLTA-FDDCHVKYSA-N 444.597 2.723 0 40 IFAB CC(C)(C)c1n[nH]cc1CN1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703193 CPZLJKKMXISKRM-MRXNPFEDSA-N 443.573 2.613 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1C 20043680 LRMYSAICEMQQIP-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)CCOc2cc(C)ccc2C)c1 21467304 VFLJFTJIUSELFT-UHFFFAOYSA-N 443.452 2.827 0 40 IFAB Cc1cc(Cl)ccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22228982 JMNGQOMNRKPXAH-UHFFFAOYSA-N 437.949 2.633 0 40 IFAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C)OCO2 23533654 HVAMWVCZGNQQDA-UHFFFAOYSA-N 425.470 2.941 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c1 24527406 FOAFEWZMOPXKAH-UHFFFAOYSA-N 446.960 2.700 0 40 IFAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)NC12CC3CC(CC(C3)C1)C2 24866732 FWHZPXMEIATTRV-NGVVTVSOSA-N 435.524 2.973 0 40 IFAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 25195827 VFJCVBSSTRMNAR-UHFFFAOYSA-N 426.586 2.736 0 40 IFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 26397651 PJUUEBAJQWLEAP-FQEVSTJZSA-N 436.537 2.848 0 40 IFAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 32895614 RYMPTARTYBKJGT-GASCZTMLSA-N 440.997 2.987 0 40 IFAB O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)NC1CC1 36446865 LLJQSMRXIKTUCL-UHFFFAOYSA-N 435.553 2.637 0 40 IFAB Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 40155208 WVJXZNNPOHOJEN-UHFFFAOYSA-N 426.454 2.921 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1cccs1 57416053 KXIKZIFWRAEEPK-HXUWFJFHSA-N 426.542 2.660 0 40 IFAB CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 60166501 UGQDGUGXVZVGTJ-LJQANCHMSA-N 439.512 2.734 0 40 IFAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)c2C1 62007130 QWYQKMVARUYIMF-UHFFFAOYSA-N 448.523 2.944 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1C 64988666 CZNJEFVNRKDXAO-IBGZPJMESA-N 432.498 2.646 0 40 IFAB Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)n1 65534936 CMWBFFPFKAVYRI-UHFFFAOYSA-N 426.480 2.983 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NS(=O)(=O)N1CCc2ccccc2C1 69558278 IINDHYSXWDALLH-LJQANCHMSA-N 449.960 2.514 0 40 IFAB COc1ccc(CN2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)cc1O 72335968 XZLGVJQUCCJEFM-UHFFFAOYSA-N 446.573 2.574 0 40 IFAB C[C@H](c1ccccc1)N(CC(N)=O)CC(=O)Nc1cc2c(cc1Br)OCCO2 79098180 HPBGEIQMOZQPLJ-CYBMUJFWSA-N 448.317 2.707 0 40 IFAB COC(=O)c1ccoc1CC1CCN(C(=O)c2cccc(C(=O)N3CCCC3)n2)CC1 95451920 DAPJSSNBSWVXLF-UHFFFAOYSA-N 425.485 2.792 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CCC(C)CC3)C2=O)cc1OC 97993249 WHFUVUDMVHWHSH-CPNJWEJPSA-N 447.557 2.588 0 40 IFAB Cc1cc(C)nc(N2CCC(N[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)n1 100205798 ZGFHWTSDBWACSU-GOSISDBHSA-N 431.899 2.776 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(C)cc1)S(C)(=O)=O 219104868 HIZKLOHLRNCRAU-HNNXBMFYSA-N 434.543 2.968 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220210535 CGNCURMQFOFJON-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 223142543 ULBWBSDHVHPZQH-UHFFFAOYSA-N 449.348 2.654 0 40 IFAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 225635961 DPMRZFPFEULDOR-GOSISDBHSA-N 436.530 2.600 0 40 IFAB CN(C(=O)C1CCOCC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257234309 GSYULURRLCTBSR-SBSLQGDRSA-N 431.573 2.869 0 40 IFAB COc1cc2c(cc1CN1CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C1)OCO2 257286801 PNBWAXITZXFJQB-QFIPXVFZSA-N 448.903 2.603 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 408658796 RJMKYDIEDQQGRD-WBVHZDCISA-N 426.469 2.795 0 40 IFAB COc1cc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCCN(C)C 585273020 OMJANFOCBDBHBW-QFIPXVFZSA-N 441.563 2.694 0 40 IFAB CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584764 RVVMWBVFRJRAGR-DEOSSOPVSA-N 437.584 2.990 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CN(CC1CCOCC1)C2 1549168060 STDCUTWDAJYYQJ-QFIPXVFZSA-N 425.573 2.738 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)C(C)(C)NC(=O)Cc3ccc(F)cc3)CCN2C)cc1 1848352596 VTLKUYKSDIVBGZ-NRFANRHFSA-N 427.520 2.787 0 40 IFAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1 3368784 XLIWKWFVNXMHPQ-UHFFFAOYSA-N 435.841 2.645 0 40 IFAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1I 3519200 HSSWQVFXISKWAA-UHFFFAOYSA-N 448.216 2.928 0 40 IFAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2)CC1 4121663 RDIBZQMGSLYSOJ-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN(C)C)cc2c1 6196654 HMAVXJBOVUIVHG-FQEVSTJZSA-N 446.617 2.734 0 40 IFAB COc1cc2c(c3oc(=O)c(CCC(=O)NCCOC(C)=O)c(C)c13)CCC(C)(C)O2 8765408 NWGVSVXTKDQJFD-UHFFFAOYSA-N 431.485 2.826 0 40 IFAB biogenic O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9349146 LYNPOMSGTRTEJV-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnnn1Cc1cccs1 9376134 GBUASBYVGJNIKL-AWEZNQCLSA-N 431.543 2.564 0 40 IFAB COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1C 9481657 MIYNOUXLSZVDHH-OAQYLSRUSA-N 436.512 2.969 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2)cc1 9745222 YCOMFXXABODLDD-LJQANCHMSA-N 429.542 2.683 0 40 IFAB COc1ccc(NC(=O)c2cccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)c(OC)c1 9860288 VKCGUNGZMOQCOU-WMZOPIPTSA-N 447.538 2.636 0 40 IFAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525786 QDYSDSHQPRQXGF-UHFFFAOYSA-N 447.948 2.839 0 40 IFAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCCc1ccccc1 12016147 VHIYNPJLUCYFLI-UHFFFAOYSA-N 438.571 2.536 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(Br)c4)nc32)cc1 12080838 PWRUMCUGMJXBTA-UHFFFAOYSA-N 440.257 2.646 0 40 IFAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)CN4CCCC4)CC3)C1)c1cccn1-2 12086228 JDHQRBHBBMURNM-VWLOTQADSA-N 436.556 2.984 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3ccc(C(N)=O)cc3F)C1)O2 12237169 ZRJLDRAWISIYGX-QKKBWIMNSA-N 426.444 2.819 0 40 IFAB CCOC(=O)c1c(NC(=O)CNCCc2ccccc2)sc(C(=O)OCCOC)c1C 12528930 VSIAQFFIETVQAM-UHFFFAOYSA-N 448.541 2.807 0 40 IFAB COc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@H]2CCCO2)cc1 12535307 KVFOWPGTKPMRHQ-LJQANCHMSA-N 432.480 2.789 0 40 IFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Br)cc1F 12906981 ISRPELUSEMKVPO-UHFFFAOYSA-N 426.267 2.656 0 40 IFAB COc1cc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc(OC)c1OC 15858686 QLCNGPHBNFSQNM-UHFFFAOYSA-N 448.497 2.667 0 40 IFAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)Cc5cccc(C)c5)CC4)ncnc32)cc1 15883985 KNIGSJAOHZWMSD-UHFFFAOYSA-N 427.512 2.719 0 40 IFAB COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc1 16839956 WALPODGZIPEMOJ-UHFFFAOYSA-N 443.503 2.506 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)c(OCC)c1 17307240 BUHNHBNVOOCYGS-UHFFFAOYSA-N 443.525 2.686 0 40 IFAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)C2=O)cc1 18217974 KJHSUPLAYGIXNY-MRXNPFEDSA-N 433.434 2.566 0 40 IFAB O=C1NC[C@H](C2CCN(C(=O)CCc3nc(-c4ccncc4)no3)CC2)c2ccccc21 19374952 JHLDIYVACVIWQA-HXUWFJFHSA-N 431.496 2.830 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)CC1 19520276 HRZUGCVHKRDJKS-HXUWFJFHSA-N 445.589 2.597 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19528364 MBLCNGGJUHMXEY-HFZDXXHNSA-N 448.567 2.514 0 40 IFAB Cc1ccc(CC(=O)N2CCC[C@@H](N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)C2)cc1 19699707 BTXVHLHRCVSKEE-OAQYLSRUSA-N 440.588 2.571 0 40 IFAB COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1OC 19890267 GDHWNNYMUAUJEG-SFHVURJKSA-N 427.501 2.977 0 40 IFAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1CC 20894138 MBKHRIMKGOUCKZ-HNNXBMFYSA-N 432.542 2.552 0 40 IFAB CN(C)c1ccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 22420696 DBBWVGJFSUPKNZ-UHFFFAOYSA-N 430.452 2.864 0 40 IFAB COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 23701305 UDMICNYHFWZHQZ-PSLXWICFSA-N 446.500 2.567 0 40 IFAB COc1ccc(-n2ncc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2C(F)(F)F)nn1 24664037 IARLOAKIJSNHGQ-GFCCVEGCSA-N 449.389 2.602 0 40 IFAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1cnc2ccccc2c1=O 27234298 JJLZXYDFWLBPAL-UHFFFAOYSA-N 432.402 2.903 0 40 IFAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)N1CCN(C(=O)c2ccc(F)cc2)CC1 31191512 COSFDKYCKHIXJD-UHFFFAOYSA-N 431.518 2.793 0 40 IFAB NC(=O)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccc(F)cc21 32074512 OZZNOXKVXIMOJC-NRFANRHFSA-N 439.834 2.775 0 40 IFAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 32885756 FNPDIIJKTZJAJF-HNNXBMFYSA-N 442.607 2.609 0 40 IFAB CNC(=O)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1 32893482 CUGXRYVRIPFVCZ-UHFFFAOYSA-N 425.514 2.538 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)C[C@H](C)O1 48250193 NLTRGIBTXRPNKL-IRXDYDNUSA-N 443.523 2.993 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1ccccc1 57414411 NYAPYTYCBJIEAJ-QHCPKHFHSA-N 434.540 2.988 0 40 IFAB COCCN(CCOC)Cc1c(C2CCN(C(=O)C3CCC3)CC2)[nH]c2nccnc12 57775359 JICGHTLEJXHJCS-UHFFFAOYSA-N 429.565 2.559 0 40 IFAB CCOC(=O)[C@H](NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H](C)CC 72303258 ZIIXXBUBSGENLK-PIGZYNQJSA-N 437.587 2.801 0 40 IFAB C[C@H](C(=O)NC1CCN(CC2(c3ccccc3)CCCC2)CC1)N1C(=O)NC(C)(C)C1=O 72393432 GQLCWKCROKWFHR-GOSISDBHSA-N 440.588 2.798 0 40 IFAB O=C(CN1CCS(=O)(=O)CC1)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 79096649 WZIZHIVYZBYZFS-UHFFFAOYSA-N 441.475 2.986 0 40 IFAB C[C@H](CN(Cc1ccccc1)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)O 95424399 SNZUAWDQBOKNQK-QGZVFWFLSA-N 433.526 2.999 0 40 IFAB COc1ccc(CNC(=O)NCCn2nc(-n3ccc4ccccc43)ccc2=O)cc1OC 96025229 PMWDKHGOQGATGW-UHFFFAOYSA-N 447.495 2.704 0 40 IFAB CCc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccnc3)C3(CCOCC3)C2)cc1 96241049 FNMNWCGKRFMCQN-HXUWFJFHSA-N 429.542 2.700 0 40 IFAB COC(=O)CCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1F 96536578 CFUQZSBVSMZTJF-INIZCTEOSA-N 425.258 2.532 0 40 IFAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 104747655 XTLWQNKCRURYSP-JTDSTZFVSA-N 427.998 2.587 0 40 IFAB O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCc1nc(-c2c(F)cccc2F)cs1 108391511 KUFKZQCXOMYXEN-TWKYDXJASA-N 448.447 2.684 0 40 IFAB C[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940106 NCWQRXYNENXEPO-SNVBAGLBSA-N 430.313 2.886 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)c1 219260329 ZWXSSVGTXHYBSK-INIZCTEOSA-N 446.554 2.824 0 40 IFAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220653230 SYCSGYKFDCSIRD-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 223677099 MYDBTDJOIDQASK-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 224477831 OJBZJRVOJDAJPX-KRWDZBQOSA-N 445.324 2.716 0 40 IFAB CCc1ccccc1N(CCCC(=O)NCCOc1ccc(OC)cc1)S(C)(=O)=O 224661164 UPWMOYQFGJDYGH-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)c(Cl)c1)S(C)(=O)=O 225064634 RZJHCQJEGQSZEL-UHFFFAOYSA-N 425.919 2.902 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225601418 ZDBMDHIJRLVYKO-UHFFFAOYSA-N 437.327 2.890 0 40 IFAB COc1ccc(-c2nnc(NC(=O)CN(Cc3ccc(C)cc3)S(C)(=O)=O)s2)cc1 225860970 ISPWLYLHPJHCCT-UHFFFAOYSA-N 446.554 2.922 0 40 IFAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCCN2CCOCC2)n1 225905745 RYRALOPKQJXUCX-UHFFFAOYSA-N 427.452 2.906 0 40 IFAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2ccccn2)C1 257299391 RPWVTYKPZYPWQQ-RUZDIDTESA-N 438.572 2.546 0 40 IFAB CCOc1ccc(N([C@H](CC)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1 260805351 BEGRQBYVQBZAOX-CYBMUJFWSA-N 430.577 2.842 0 40 IFAB COc1ccc(Br)c(C(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)c1 390831513 SGVXIEBNFWOPHE-UHFFFAOYSA-N 445.321 2.603 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 408666891 TVHTWHZBWRYOLB-WOJBJXKFSA-N 434.448 2.946 0 40 IFAB CCc1c(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cnc2c1c(=O)n(C)c(=O)n2C 514008818 RUQQVVXLTAOLFX-SANMLTNESA-N 446.551 2.705 0 40 IFAB Cn1c(CNC(=O)CN2CCC[C@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)nc2ccccc21 585183564 VIBOQRNJHPLNCU-FQEVSTJZSA-N 447.518 2.875 0 40 IFAB Cc1nc(C)n(CC(=O)N2CCN(C)CCCN(C(=O)CC(C)C)c3ccccc3C2)n1 643555121 UKKIYXCCXZMZSJ-UHFFFAOYSA-N 440.592 2.638 0 40 IFAB O=C(NC1CCCC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2cc(C3CC3)on2)C1 2055785338 UFHPKVRKLVSMMQ-QHCPKHFHSA-N 438.532 2.685 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 1899654 CUPZBCDMDRUQLS-SKDRFNHKSA-N 425.511 2.659 0 40 IFAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 5493812 MVXNAJNGLVQNKU-BVZALQNUSA-N 446.569 2.957 0 40 IFAB biogenic,in-vitro CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 9288786 FZCDRDGMSDZIAD-MRXNPFEDSA-N 445.541 2.765 0 40 IFAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)NCc2ccccc2)c2ccccc21 9519596 BCGFTJJDPUEEKE-UHFFFAOYSA-N 441.553 2.600 0 40 IFAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9718137 RJDOVVYDIQOBCF-UHFFFAOYSA-N 447.369 2.979 0 40 IFAB O=C(CNC(=O)c1sc2ccccc2c1Cl)NN1C(=O)NC2(CCCCC2)C1=O 9746029 PZNJPICLKIHYFR-UHFFFAOYSA-N 434.905 2.570 0 40 IFAB Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 9747156 XPWBVNAQIUBKTJ-MRXNPFEDSA-N 435.571 2.745 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2OC)sc2c1CCC2 10382217 RQAFAPVJSVTDDQ-UHFFFAOYSA-N 445.526 2.739 0 40 IFAB COc1ccc(-c2cc(COC(=O)CCNC3=NS(=O)(=O)c4ccccc43)on2)cc1 11204122 LSUXVUCVAGUJAQ-UHFFFAOYSA-N 441.465 2.522 0 40 IFAB Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)c1 11696970 SDLJPTLXNSNHNM-UHFFFAOYSA-N 428.493 2.574 0 40 IFAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 12378218 HCFCAOHUYQIYTQ-OAHLLOKOSA-N 441.509 2.776 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(Cc2ccc3c(c2)OCO3)c1C 12484481 PQQRGOBTCADKBE-UHFFFAOYSA-N 446.525 2.823 0 40 IFAB COc1cc(C(=O)NCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1OC 12519984 TZSGFYFBHZLCHV-OAHLLOKOSA-N 438.484 2.505 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 12537725 GEFKMJWBYOALQW-HXUWFJFHSA-N 429.904 2.713 0 40 IFAB CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 12776746 VCSIXMQSIXAOHY-FQEVSTJZSA-N 437.496 2.774 0 40 IFAB COc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OC 12789771 CWHAOVSPWOFNLX-FQEVSTJZSA-N 444.503 2.996 0 40 IFAB Cn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)nnc1-c1ccccc1 13416681 VUBPRPKXMWQFGA-GOSISDBHSA-N 435.509 2.868 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1ccccc1OCC)S(C)(=O)=O 13669164 SRXKHXOPGRMPPU-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COc1cc2cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2cc1OC 13732819 SEKNWMJTQCCYKV-UHFFFAOYSA-N 425.441 2.715 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1 13957398 ZQKUCJADVHAUGF-UHFFFAOYSA-N 425.466 2.584 0 40 IFAB C[C@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 14161173 GCNOHPDPBZYRGZ-KBXCAEBGSA-N 444.582 2.958 0 40 IFAB CC(C)C[C@@H](C(=O)O[C@@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 14242908 JKDGEPBEDYKLLP-FFGOWVMKSA-N 426.513 2.600 0 40 IFAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15967977 BDYLUWBKBGWIEL-UGCAPWQASA-N 449.576 2.711 0 40 IFAB biogenic O=C(c1ccc2c(c1)OCO2)N1CC[C@H](c2nc(O)c3c(n2)CN(C2CCCC2)CC3)C1 19345479 KWTKPMADOQWCAO-INIZCTEOSA-N 436.512 2.841 0 40 IFAB COC[C@H](C)N1C[C@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 19456574 ZUWITDRFGQCDNE-XAUMDUMWSA-N 437.544 2.552 0 40 IFAB COc1cc(CC(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)cc(OC)c1OC 19549628 DUMPCEBEJKOATG-KRWDZBQOSA-N 437.496 2.898 0 40 IFAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCC[C@H](O)C4)on3)CC2)c1OC 19567657 MUKWZPPXMBWYBZ-SFHVURJKSA-N 429.517 2.668 0 40 IFAB COc1ccc2c(c1)C1=C([C@@H](c3cn(C)nc3C)O2)[C@H](c2cn(C)nc2C)n2ncnc2N1 19640723 ZOIDONDNZFLRHI-FCHUYYIVSA-N 444.499 2.930 0 40 IFAB C[C@@H](NC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1)c1nc2ccccc2[nH]1 19708070 JBAZLTUBNBSQLR-CQSZACIVSA-N 427.530 2.588 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1C 20009036 OHDKAUUIEXSQAX-OAQYLSRUSA-N 448.585 2.825 0 40 IFAB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 20517958 MMUQSQNTUYTBPE-DLRJPAPCSA-N 433.961 2.756 0 40 IFAB O=C(COC(=O)CCn1nc(-c2cccs2)oc1=O)Nc1ncc(Cl)cc1Cl 21738635 XNIKAUMQPFCVLV-UHFFFAOYSA-N 443.268 2.839 0 40 IFAB O=C(Nc1cccc(-c2nnco2)c1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 23075386 WCKMJSDNGQYAJC-HNNXBMFYSA-N 437.481 2.536 0 40 IFAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@@H]3C)C1=O)O[C@H](C)C2 23701087 MJKFMUXNDIJRQZ-AQKDONEWSA-N 429.517 2.526 0 40 IFAB CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc(Cn4ccnc4)c3)cc(C(C)C)nc21 25182368 VZHQNIXXQGCHPY-UHFFFAOYSA-N 432.484 2.725 0 40 IFAB CCOc1cc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O 26534020 GNYBGNZJCFFIEW-WOJGMQOQSA-N 425.441 2.829 0 40 IFAB CC(C)[C@H](C)N(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 32825566 UVDSHMDKLUTVHW-INIZCTEOSA-N 427.998 2.682 0 40 IFAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)CC1 36735612 JTPDLIKRAGDQRH-UHFFFAOYSA-N 429.536 2.929 0 40 IFAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCCN3CCOCC3)c3nc4ccccc4n32)cc1 39964049 TXILNSCMLIJAFW-QFIPXVFZSA-N 447.539 2.984 0 40 IFAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@H]1C=CS(=O)(=O)C1 40005084 VICZMBUBBGRWNI-CQSZACIVSA-N 430.482 2.843 0 40 IFAB CC(=O)c1ccc(N2CCN(C(=O)CCn3nc(-c4ccc(F)cc4)ccc3=O)CC2)cc1 41252932 QVBNESNZXUTKEM-UHFFFAOYSA-N 448.498 2.991 0 40 IFAB Cc1nnsc1C(=O)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 43986990 UCGDGIKLRSGSJA-UHFFFAOYSA-N 428.558 2.563 0 40 IFAB CCn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2cc(C)[nH]c2c1=O 57521747 BKWQKQOWCGWZJB-UHFFFAOYSA-N 441.557 2.502 0 40 IFAB CCCc1ncc(CN2C[C@H](C(=O)N(CC)CC)[C@]3(CCc4ccccc4C(=O)N3)C2)cn1 72334370 PQXHWBLMEWYYCB-GJZUVCINSA-N 449.599 2.844 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cn(C)nc4C)C3)c2)cn1 72353660 JLKIRFXHIYYRBS-SFHVURJKSA-N 432.528 2.873 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)c1ccc([C@@H]2CCCN(S(C)(=O)=O)C2)nc1 72374398 KNXZGETUIGUCMY-GOSISDBHSA-N 439.541 2.873 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 72377754 ZKHJEGBLGUQEEY-HNNXBMFYSA-N 426.502 2.587 0 40 IFAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2c(c(OC)c1OC)OCO2 85413046 UUFLUGRCQIXCBE-KUHUBIRLSA-N 426.377 2.605 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@@H]3C2=O)cc1 101166166 ZJBQNIKHKONWPX-ROUUACIJSA-N 427.848 2.671 0 40 IFAB CCOCCCNc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1C(=O)O 217620762 VSGYDIPURKFCPF-UHFFFAOYSA-N 436.530 2.753 0 40 IFAB COc1cccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 223645676 GYHOPHFNLJMQLE-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCOc1ccccc1C(C)C)c1ccc2c(c1)OCO2 223777338 HJEPAHIEIYCMOS-UHFFFAOYSA-N 448.541 2.890 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1Cl 224181158 FYICYZJIEQJLPV-UHFFFAOYSA-N 435.933 2.867 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)cc1 224327065 QZCFDGTVELTJAQ-UHFFFAOYSA-N 431.558 2.653 0 40 IFAB O=C(Cc1cccc(Br)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 225613601 HGLCJNLYDRGBHV-UHFFFAOYSA-N 439.331 2.651 0 40 IFAB Cc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC1)CC2=O 225816916 FSLKGDVBUBUMTF-UHFFFAOYSA-N 429.494 2.955 0 40 IFAB N[C@]1(C(=O)O)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515216 HWWKMWIHOCUIIC-SQWLQELKSA-N 430.707 2.824 0 40 IFAB COC(=O)[C@@H]1CC[C@@H]2[C@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@@]5([C@@H](OC)O3)[C@@H]4CC[C@]21C 253596094 NAWSESIXRIDTIN-ZJXLCWOCSA-N 436.545 2.970 0 40 IFAB COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccc4c(c3)OCO4)C2)cc1 306139725 TYOHPUCQYWPHBZ-XMMPIXPASA-N 432.480 2.590 0 40 IFAB O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCc1ccccc1Cl 408567951 QUKUFCPVSJMDFJ-UHFFFAOYSA-N 439.899 2.653 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 408677835 RUSLKKJOQVFOLD-CQSZACIVSA-N 426.922 2.979 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1ccc(Cl)cc1 409369975 INPBVCUAKYEHGX-MRXNPFEDSA-N 441.875 2.932 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(Cc2ccccc2)no1 524735041 QDMINRAYPQGLSE-PZGSVQSZSA-N 446.507 2.819 0 40 IFAB O=C(CN1CCO[C@@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1cccc(C(F)(F)F)c1 2087069173 PQOYEWQIWBKSPR-OAHLLOKOSA-N 435.393 2.602 0 40 IFAB CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C 932526 GZVMWCCPFDWVAZ-UHFFFAOYSA-N 443.573 2.870 0 40 IFAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3530245 XBTMUZYJFBGSNY-MRXNPFEDSA-N 430.526 2.756 0 40 IFAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C(N)=O)cc1 3544167 LJHAZQZJRVMQNI-UHFFFAOYSA-N 431.905 2.877 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 6576820 LWEBIUKLNWRIHH-VQIMIIECSA-N 436.505 2.845 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2oc3ccccc3c21)NCCc1ccccc1 9116519 LXLBKHSYUBDSAF-UHFFFAOYSA-N 443.459 2.910 0 40 IFAB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)nn1 9650606 DBTLWUWCCMPEGC-UHFFFAOYSA-N 433.511 2.747 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 10692571 WQMOEXHREZHMPC-AWEZNQCLSA-N 439.921 2.591 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)c1 10923140 NMJHNGQZESBKPJ-UHFFFAOYSA-N 432.567 2.936 0 40 IFAB O=C(OCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11244159 IPSHNXIPWQJLMR-UHFFFAOYSA-N 425.453 2.988 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996940 SCOAPJODHJOVGP-CQSZACIVSA-N 432.527 2.936 0 40 IFAB O=C1C[C@H](C(=O)Nc2cccc(F)c2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 12389510 PLFVQBVJARERDS-KRWDZBQOSA-N 433.443 2.536 0 40 IFAB Cc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 12697805 RAYVZMLFBPZPRY-UHFFFAOYSA-N 426.498 2.658 0 40 IFAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)no1 12769270 WXUWYGALJBPAGF-JTQLQIEISA-N 434.337 2.846 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C 12806987 UPJKHWFYPUEWOT-JCQPUDPBSA-N 439.468 2.687 0 40 IFAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1(C)C 12849455 PAUWUTPQRXWWKD-OALUTQOASA-N 433.574 2.750 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN[C@H](C)c3cccc(F)c3)cc2)C[C@@H](C)O1 13096465 FBRIVQXFKBCLNB-BRWVUGGUSA-N 449.548 2.913 0 40 IFAB COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(F)(F)F)c1)N(C)CC3)OCO2 13788437 CCDNMWGRRMWADA-MRXNPFEDSA-N 433.390 2.996 0 40 IFAB CCOc1cccc2cc(C(=O)NCCCn3nc(-c4ccco4)ccc3=O)c(=O)oc12 13797665 BSBKVZXRJOILFW-UHFFFAOYSA-N 435.436 2.829 0 40 IFAB C[C@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14244477 TZIAGXLHLAHCBS-MRXNPFEDSA-N 448.541 2.589 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 14249354 OSAFTYOOUXWBSC-UHFFFAOYSA-N 442.896 2.643 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1 16427404 HATNAWVNBQISQC-FQEVSTJZSA-N 429.586 2.911 0 40 IFAB Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)c2c1 17053843 CJBGNTZJOVXGJX-UHFFFAOYSA-N 446.912 2.902 0 40 IFAB COc1cc(Br)c(CC(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1OC 18522227 TWFWXFAUXOJOEX-SNVBAGLBSA-N 427.251 2.876 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C 18668172 CJBLKADRYPFCAN-KGLIPLIRSA-N 432.571 2.946 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)c1c(C(C)C)noc1C)CC2 19710458 FGPMUWLSXWTGED-MRXNPFEDSA-N 440.548 2.863 0 40 IFAB O=C(NCc1ccccc1F)c1cncnc1CC1CCN(C(=O)[C@@H]2CCCO2)CC1 19756733 IHKCAXMPLDZWSQ-NRFANRHFSA-N 426.492 2.506 0 40 IFAB Cc1nc(N)nc(C)c1CCC(=O)N1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19761519 LNIWYWFUMJZBGJ-KRWDZBQOSA-N 446.555 2.874 0 40 IFAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)c3cc(-c4cccc(OC)c4)n[nH]3)C2)nc1C 19763661 WXFALJIMMIQLJS-INIZCTEOSA-N 434.500 2.563 0 40 IFAB COc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)c(OC)c1 20063953 KXBVXVTYWJDPPM-UHFFFAOYSA-N 448.497 2.870 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(CN2CCCCC2)cs1 22290453 YDQNAIDKMNANIK-ZDUSSCGKSA-N 426.539 2.574 0 40 IFAB COc1cccc(C(=O)NCC(=O)OCc2cc3c(cc2Br)OCCO3)c1 24464226 WLEYXDSLEADOPB-UHFFFAOYSA-N 436.258 2.702 0 40 IFAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)N1CC(=O)Nc2ccccc21 24753426 NZWLAFQQXBGREO-WHEQGISXSA-N 437.477 2.532 0 40 IFAB Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1C 24830012 RHZNMDYGJOMQMD-CMDGGOBGSA-N 441.553 2.841 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(F)cc1F 28721406 ODSDRXPDMBUBRY-QFIPXVFZSA-N 439.466 2.879 0 40 IFAB CC(C)CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 30807444 IGPMYWQBNDRMCO-IBGZPJMESA-N 425.464 2.869 0 40 IFAB O=S1(=O)CC[C@@H](N(Cc2cccc(F)c2)C[C@H](O)COc2ccc(Cl)cc2)C1 32594250 KKDTWOFEPUNPTQ-MOPGFXCFSA-N 427.925 2.908 0 40 IFAB O=C(CSc1nccc(C(F)(F)F)n1)NC[C@H]1CN(Cc2ccccc2)CCO1 32903207 IKIMVKLBVJCKCC-HNNXBMFYSA-N 426.464 2.605 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@@H]1c1ccccc1 33694853 HAQNYYJRLLKPAK-JAORQVBISA-N 448.500 2.636 0 40 IFAB O=C(Nc1ccc2c(c1)OCO2)C1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 35855791 KNFDXNCZWASWKH-MYKUNDNFSA-N 435.524 2.991 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NC(=O)c1cccn1C)CC2 36447674 VYBUBQNXOUMRLJ-XMMPIXPASA-N 433.508 2.946 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cccnc2)c1 40050027 IMYLKEAIJMMKNL-JXMROGBWSA-N 444.557 2.601 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[nH]c(=O)c21 40390387 WZSYRFYNHLHSHA-AAEUAGOBSA-N 445.907 2.875 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1Cl 44903118 PDXSOUJYGSYSRO-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 44910012 RDRQIDKDNUYQHT-NRFANRHFSA-N 432.542 2.751 0 40 IFAB CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)NCC1(N2CCOCC2)CCCCC1 49613046 WOURXIMRTYOMDS-UHFFFAOYSA-N 445.585 2.976 0 40 IFAB COCCCNC(=O)C1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 59833815 LUWHZMGXXVHAJU-UHFFFAOYSA-N 443.367 2.925 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O 61460587 QHMYISDXHPOZEJ-LFVRLGFBSA-N 437.500 2.512 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Cn2nc(-c3cccs3)ccc2=O)n1 61984108 JYPFJJBUXRBYBF-LBPRGKRZSA-N 432.527 2.809 0 40 IFAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)N[C@H](Cc1ccccc1)C(=O)O 71334677 JYUMYAWRTZYTJG-JOCHJYFZSA-N 427.460 2.876 0 40 IFAB COc1ccc(OCc2nnc(NC(=O)C[C@H]3Oc4ccccc4NC3=O)s2)cc1 72391493 HCHOYXJDEFNFBX-MRXNPFEDSA-N 426.454 2.854 0 40 IFAB CCC(CC)C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccncc1)C2 72399110 MOZDOMCIJSUVPH-HXUWFJFHSA-N 437.544 2.853 0 40 IFAB NC(=O)c1cc(OC2CCN(C(=O)Cc3csc(Cc4ccccc4)n3)CC2)ccn1 95459289 SJJSNYGKHDJHFI-UHFFFAOYSA-N 436.537 2.840 0 40 IFAB Cc1ccccc1CCC(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 96263075 SRMCKEABJKFDEU-NRFANRHFSA-N 438.572 2.813 0 40 IFAB CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)c(Cl)c3)C2)c1 97105715 QWRJIOZQEHMEHW-KRWDZBQOSA-N 445.925 2.961 0 40 IFAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 100739078 IIDMILQZUFCIFJ-OTWHNJEPSA-N 442.585 2.980 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4cc(OC)ccc4Br)[C@H]3C2=O)cc1 101167008 VIWUDRCCCUCZBH-IAGOWNOFSA-N 445.273 2.960 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21)Nc1cc(F)ccc1F 101389924 ORAYJEGSYGRIIF-CVEARBPZSA-N 437.765 2.689 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccc(Br)cc3)C(C(=O)[C@H]3CO3)=N2)cc1 102674776 ZIMLEDCHIJAGIL-DLBZAZTESA-N 449.326 2.870 0 40 IFAB CCOc1cc(Br)c(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC 103685120 IENSPAPYFICTAY-SMDDNHRTSA-N 435.365 2.900 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc(Cl)cn1 113482589 NGHZHDKFNAPOEH-STQMWFEESA-N 434.974 2.973 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCCc3ccccc32)Oc2ccccc21 218796946 ZEPKBSQDIAYNNU-QFIPXVFZSA-N 443.569 2.563 0 40 IFAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1cccc(Cl)c1 224980483 ACRIAWNXWLHHCH-UHFFFAOYSA-N 436.961 2.971 0 40 IFAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1NS(C)(=O)=O 225471774 MSQUSSNTQDARPE-MOPGFXCFSA-N 443.554 2.967 0 40 IFAB O=C(COc1cccc(/C=c2\sc3ncnn3c2=O)c1)Nc1ccccc1C(F)(F)F 256055702 QCPJZACNJNRVKT-SXGWCWSVSA-N 446.410 2.735 0 40 IFAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)CCN3CCOCC3)CCO2)n1 257214768 CNJKHHPJLZYPBV-FQEVSTJZSA-N 445.589 2.829 0 40 IFAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCc3nc4ccccc4[nH]3)C2)c2cnccc2n1 257253631 JZRBMFUGABMNNL-RUZDIDTESA-N 444.539 2.847 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4cccc(C)c4)C[C@@H]2C3)cc1 306129292 HZVQACIDIBIEPH-ZWKOTPCHSA-N 431.496 2.792 0 40 IFAB COC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408622473 OSWVGJVSNNIXHR-CQSZACIVSA-N 432.970 2.823 0 40 IFAB C[C@]1(C2CCN(C(=O)c3ccc(N4CCc5ccccc5C4)cc3)CC2)NC(=O)NC1=O 530887725 ZAWDIHAJVIDRCQ-RUZDIDTESA-N 432.524 2.700 0 40 IFAB COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1 581961497 BVJHIKFMVMWNEO-WNCSLHQUSA-N 446.588 2.915 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)CCc2nnc(C(C)C)o2)Cc2ccccc21 643553604 BJEPZUCMAFSSMN-UHFFFAOYSA-N 427.549 2.843 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5ccccc5)CC4)nc32)cc1 1324680 WNXRNFCQLSNTDQ-UHFFFAOYSA-N 428.496 2.891 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)cc2C1=O 1941574 DGOVZCKUHJFRLY-UHFFFAOYSA-N 430.844 2.768 0 40 IFAB CC[C@H](CO)NS(=O)(=O)c1cc(-c2nn3c(C)nnc3c3ccccc23)ccc1C 2439700 OUFNXYJKLRSHCG-MRXNPFEDSA-N 425.514 2.611 0 40 IFAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4cnccn4)C2)C3)cc1 5437811 QTWGLHDZVOHEGG-FUHWJXTLSA-N 429.480 2.523 0 40 IFAB biogenic,in-vitro CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6501120 FFDRXVDSZUZDLW-HNNXBMFYSA-N 429.546 2.699 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 8381181 UFISRXMREFIXBK-UHFFFAOYSA-N 427.570 2.866 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CCN(c2ccccc2)CC1 8706756 JPRRBRIITKYPEB-XMMPIXPASA-N 448.567 2.615 0 40 IFAB CC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 9117639 NJUVXGFNMMEVAY-UHFFFAOYSA-N 435.571 2.636 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 9232905 LKDAAJYZVHHUDW-UHFFFAOYSA-N 440.496 2.675 0 40 IFAB C[C@@H]1CN(CCc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 9290566 WISJVHHINPPZAV-GOSISDBHSA-N 429.524 2.644 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc1 9304287 OPDSOHUFFOPVOD-MRXNPFEDSA-N 431.514 2.693 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCCc3ccccc31)n2C 9378192 QHOCWKZSYSONCB-LJQANCHMSA-N 440.569 2.950 0 40 IFAB Cc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 9674676 YIFYCHUIYSPJQG-SJORKVTESA-N 442.273 2.689 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1 9806384 PVEHFMDYKOOIGP-IBGZPJMESA-N 447.532 2.659 0 40 IFAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2N)c(=O)n(-c2ccccc2)n1C 9836256 LYQAWXLCVRTTQT-ZDUSSCGKSA-N 428.876 2.904 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(OC)cc2)n2nnnc2N1 10231922 BROACIMZQNXVGA-KRWDZBQOSA-N 425.832 2.660 0 40 IFAB COC(=O)c1ccc([C@@H]2c3c(/C=C/c4ccccc4)nnc(O)c3Nc3nnnn32)cc1 10297994 RXCNQRJUXKXXFR-LKQLOZHYSA-N 427.424 2.820 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cn3c(C)cc4ccccc43)CC2)cc1 10504887 IBQZZRCUJVVKPL-UHFFFAOYSA-N 441.553 2.928 0 40 IFAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N([C@H]1CCS(=O)(=O)C1)C3=O 12062827 UVLBSEUMLIHOGL-YWZLYKJASA-N 439.489 2.848 0 40 IFAB COc1ncc(C2(O)CCN(C(=O)c3cc(-c4ccc(Cl)cc4)on3)CC2)c(OC)n1 12142998 SVUCDCPBMGICCG-UHFFFAOYSA-N 444.875 2.926 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 12599109 TXGIJDYKSHWXPH-QFIPXVFZSA-N 449.532 2.564 0 40 IFAB Cc1ccc(NC(=O)c2c(Cl)nc3sccn23)cc1S(=O)(=O)N1CCOCC1 12600057 CFWISXPYQQPFKB-UHFFFAOYSA-N 440.934 2.631 0 40 IFAB CC(=O)N[C@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O 12902367 FYTGFTLKWMSTHB-LDENHOCBSA-N 425.437 2.516 0 40 IFAB biogenic CCN(CC)S(=O)(=O)c1ccc(N(C)CC(=O)Nc2ccc(F)c(F)c2F)nc1 13131227 AEHWBNXLSNVWAW-UHFFFAOYSA-N 430.452 2.604 0 40 IFAB CN(C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13683484 LAVVJKDRDZKRIP-AWEZNQCLSA-N 436.405 2.603 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 15505216 RCVXZNWNBLEODC-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB C[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 15643887 QLYZWTNNXWUTMB-JTQLQIEISA-N 447.296 2.590 0 40 IFAB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)CC(C)(C)CC(=O)O)n2)cc1 15675981 DSDBXRDEJGJKCW-KRWDZBQOSA-N 439.472 2.985 0 40 IFAB biogenic,in-vitro CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1 17096089 NUGMSZICRJVFFO-UHFFFAOYSA-N 428.558 2.973 0 40 IFAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@H](C)NC(=O)c1ccco1 18201360 BQDPBNSMKGUZMB-LBPRGKRZSA-N 443.485 2.811 0 40 IFAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(=O)n1C 19131659 MBAIBUBDOKHAFE-FQEVSTJZSA-N 432.528 2.979 0 40 IFAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19339365 LXNCMOBJHVFNOM-NRFANRHFSA-N 433.487 2.840 0 40 IFAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccccc2OC)CCO1 19591866 GFVLCQFRRNCAPH-AREMUKBSSA-N 445.519 2.957 0 40 IFAB COc1cc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 19643657 SZDBIYLPBAXARK-UHFFFAOYSA-N 445.541 2.956 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 19697508 ADZHPLDYYIFECK-GOSISDBHSA-N 446.555 2.894 0 40 IFAB CNc1nc([C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)nc2c1CN(C(C)=O)CC2 19710617 LHBAHEDYBQGKBK-IBGZPJMESA-N 436.560 2.761 0 40 IFAB Cc1nc([C@@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741293 PCJZJOSVSNVXDR-GOSISDBHSA-N 439.535 2.671 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 20461174 OEAKFMDBENCEQV-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB Cc1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(=O)n(-c2ccccc2)n1C 22533265 YQPQMPDDSMNHLC-UHFFFAOYSA-N 434.905 2.762 0 40 IFAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(CC)CC2)cc1OC 22626850 IYHHPYAOBUOQHU-SFHVURJKSA-N 431.562 2.939 0 40 IFAB Cc1cccc(-n2nnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c1C 23818906 BDHCJCVKRNFVCH-UHFFFAOYSA-N 444.605 2.523 0 40 IFAB Cc1cc2nc(C)c(CCC(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)c(C)n2n1 24179493 GKNHMKMMSJESGZ-UHFFFAOYSA-N 449.555 2.703 0 40 IFAB CN(Cc1ccc(Br)cc1)S(=O)(=O)CCn1nnc(-c2ccccc2)n1 24702753 SQFCAYVPVWLPKG-UHFFFAOYSA-N 436.335 2.564 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1nc2c(s1)CCC2 25767580 UHYXVFOHHCKPEG-UHFFFAOYSA-N 430.349 2.701 0 40 IFAB Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4nnnn4-c4ccccc4)CC3)n2)cc1 26599920 CORHMAMVYNNPLI-SFHVURJKSA-N 430.516 2.900 0 40 IFAB Cc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)c(C)c1Br 27970300 SEXZABGFWVGPEJ-UHFFFAOYSA-N 435.366 2.763 0 40 IFAB CCN(CCCNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccccc1 28484406 QUXUICAIBNKIMI-UHFFFAOYSA-N 428.558 2.614 0 40 IFAB COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408750 MHYFMOLJWVSSQA-FCHUYYIVSA-N 442.581 2.876 0 40 IFAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 57316262 WIQTYSSBNGUNOC-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57490016 UNQQMBNZURNSJW-UHFFFAOYSA-N 449.488 2.948 0 40 IFAB COc1cccc([C@@H](CNC(=O)Nc2cccc(-n3nnnc3SC)c2)N(C)C)c1 58086305 BVDWZIZEMUNVPR-GOSISDBHSA-N 427.534 2.817 0 40 IFAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O 58558584 ADIXPZYYFNDBMW-CQSZACIVSA-N 427.432 2.739 0 40 IFAB CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)COc1ccc(Br)cc1F 69923648 YSJFECAFURWPTO-UHFFFAOYSA-N 433.318 2.699 0 40 IFAB CCSc1nnc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)s1 70637911 APJQMPRHLCVACD-UHFFFAOYSA-N 430.563 2.789 0 40 IFAB CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)CC1 72345836 NWIYNYIPFXNTKM-QFIPXVFZSA-N 433.618 2.991 0 40 IFAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CCO2 90607297 ZKTLCIBQBCVZFF-QGZVFWFLSA-N 437.418 2.878 0 40 IFAB COC(=O)c1nc(NC(=O)CCn2c(C)cc(O)cc2=O)sc1Cc1ccccc1 95479997 TXAYYOWIKJPXSS-UHFFFAOYSA-N 427.482 2.725 0 40 IFAB O=C(/C=C\c1ccco1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 95908312 JAPJOLBDXOXSKE-JXCDFKQTSA-N 432.476 2.832 0 40 IFAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)C1CCN(C(=O)c2ccccc2)CC1 96007010 UGIBKTXPGLZFFC-DEOSSOPVSA-N 435.568 2.812 0 40 IFAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(S(=O)(=O)c4ccc(C)cc4)C3)C2)cc1 96074372 XNKCEPWYTZAODG-QFIPXVFZSA-N 443.525 2.942 0 40 IFAB Cc1cccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)c1 96251360 AAQORFZREISMQQ-OFVILXPXSA-N 433.556 2.670 0 40 IFAB C[C@H](O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@@H]1C 107502263 KMMNOWGASBKASI-KBPBESRZSA-N 448.917 2.884 0 40 IFAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1 223275869 DPRHFOWWXHNJFM-VWLOTQADSA-N 446.547 2.986 0 40 IFAB COc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1C(=O)N1CCCCC1 223872623 FLEYWIYBVCMCKD-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 225002213 SDBXRCPXDSPENJ-UHFFFAOYSA-N 447.557 2.715 0 40 IFAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CN(C(=O)c4scnc4C)CCO3)c2)cn1 257219523 DHBXQXUMAOMEHP-LJQANCHMSA-N 437.525 2.790 0 40 IFAB Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)c1 306127782 GHLMCGKUXZZKNQ-RUZDIDTESA-N 438.572 2.777 0 40 IFAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 408647602 VIVBBEMWUJSDPX-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB O=C(NCCNS(=O)(=O)c1ccccc1)Nc1ccc2oc(C(F)(F)F)nc2c1 519341145 RVCTWZOXMMIRPR-UHFFFAOYSA-N 428.392 2.947 0 40 IFAB O=C(CNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1cc2ccccc2s1 1632772678 PIIGLUDCFNUZLH-FUHWJXTLSA-N 440.496 2.544 0 40 IFAB Cc1cccc(Cn2c(=O)c3nscc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c1 1775966449 FJWVHEYUKIVHRN-UHFFFAOYSA-N 442.447 2.893 0 40 IFAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(Cc1nccs1)C2 2037818646 DCAUMMKYRLIVAN-HSZRJFAPSA-N 440.569 2.610 0 40 IFAB COCC(=O)OCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 2061000040 XMPNYCNDWKLLMS-UHFFFAOYSA-N 428.393 2.572 0 40 IFAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)o2)sc2c1CCCC2 3317777 YOHYXABLSRDYCS-UHFFFAOYSA-N 427.276 2.877 0 40 IFAB O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21 3959034 AOUWQUSRMDJTJV-LJQANCHMSA-N 428.510 2.796 0 40 IFAB CCSC(SCC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)OC(C)=O 5330019 IGZAPMUTZWRKTE-PEWLAIEXSA-N 438.564 2.565 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)cc4)ccn3n2)cc1 8608760 BSAAXYNHGZEODF-UHFFFAOYSA-N 432.480 2.887 0 40 IFAB Cc1cc(NC(=O)CSCC(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)no1 8825108 UWIDKBFXYOXRDA-JTQLQIEISA-N 436.515 2.874 0 40 IFAB CC(=O)N/C(=C\c1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 8854792 SLDSMSLZAPIZLI-YLQLIIAJSA-N 430.464 2.938 0 40 IFAB biogenic Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)c2cc1C 8868790 QZHCHLVHFSUTAS-UHFFFAOYSA-N 442.493 2.683 0 40 IFAB COc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 9282324 QOYBWXUSTBFNHQ-OAHLLOKOSA-N 449.486 2.881 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1 9305982 RKLLNHCABUBPMS-HOTGVXAUSA-N 449.960 2.884 0 40 IFAB CCCCn1c(=O)n(CC(=O)Nc2ccccc2C)c(=O)c2c1ncn2Cc1ccco1 9417515 AWCQLBDUTQPPLD-UHFFFAOYSA-N 435.484 2.748 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(N3CCCC3=O)cc1)C2=O 9579053 WIYDWXIGYQZYDP-VOIUYBSRSA-N 440.544 2.566 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1cccc(OC)c1 9761799 LARSQQKNANHMNU-UHFFFAOYSA-N 441.415 2.574 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9836866 GNPDIEKQEPJICZ-FQEVSTJZSA-N 442.604 2.965 0 40 IFAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 9882833 UNUVOTWCJSZFFM-ZDUSSCGKSA-N 431.543 2.573 0 40 IFAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccncc1)c1ccccc1 9973014 DUGJNAUXOYHNSK-OALUTQOASA-N 434.404 2.556 0 40 IFAB Cc1sc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C(N)=O)c1C 10186870 BEFWHKSOKOWZTF-UHFFFAOYSA-N 427.573 2.565 0 40 IFAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11997544 GZGUMFFALRWMLH-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB CCCCn1c(S[C@H](C)C(=O)Nc2ncccn2)nc2cc(C(=O)OC)ccc2c1=O 12269210 JVROVGRESMDSQZ-CYBMUJFWSA-N 441.513 2.893 0 40 IFAB C[C@@H]1CCc2c(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)csc2C1 12617276 CNACHESXJJJCGE-CQSZACIVSA-N 428.583 2.900 0 40 IFAB COc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@H]32)cc1 12637859 TZFCXDIMQUVMAB-JOCHJYFZSA-N 429.542 2.663 0 40 IFAB O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccc(OCc2ccccc2)cc1 12643149 KATYKDDZPMKTKE-UHFFFAOYSA-N 433.420 2.788 0 40 IFAB Cc1cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)ccc1Br 12867985 MFHYTSHNRMABMG-UHFFFAOYSA-N 428.286 2.768 0 40 IFAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccccc3O)CC2)C1=O 13060933 YVCUIKLKMQZYIQ-SFHVURJKSA-N 429.904 2.817 0 40 IFAB COc1ccc(NC(=O)c2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1 13108024 AFOJREYPYXVLTM-UHFFFAOYSA-N 427.482 2.517 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 13839433 KNOYRTUSNJNOLH-UHFFFAOYSA-N 446.257 2.643 0 40 IFAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)Cn2cnc3sccc3c2=O)cc1 13984689 FZWYECDRDVHYOB-CYBMUJFWSA-N 427.482 2.867 0 40 IFAB CC[C@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 14255092 RIDRGLOYVOUEGB-HXUWFJFHSA-N 430.570 2.950 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(I)cc3)ccc21 16048521 QKSIHZUEBIUXJH-UHFFFAOYSA-N 442.278 2.866 0 40 IFAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499391 LGBABQGTFJLYRI-BEFAXECRSA-N 428.508 2.873 0 40 IFAB CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19500091 MEWPOLJRIDJJRU-MRXNPFEDSA-N 440.519 2.860 0 40 IFAB Cc1ccc(CC(=O)N2CCC[C@H](N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)C2)cc1 19699708 BTXVHLHRCVSKEE-NRFANRHFSA-N 440.588 2.571 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2N)c(OC)c1 21576041 HXRZDYNCTYPGQK-UHFFFAOYSA-N 429.502 2.724 0 40 IFAB C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 23628710 KVQQFTCRXLZBEZ-JHMRYYBSSA-N 434.562 2.653 0 40 IFAB Nn1c(Cc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 23882201 MEMMTDZXRZEOMT-UHFFFAOYSA-N 429.477 2.614 0 40 IFAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 26308571 CAHFSNLFECDYLX-RDTXWAMCSA-N 428.480 2.593 0 40 IFAB COc1ccc2nc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)ccc2c1 36390271 SWHIOLNQXUNELI-UHFFFAOYSA-N 431.539 2.888 0 40 IFAB COc1cc2cc(C(=O)N[C@@H](C(=O)Nc3ccccn3)C(C)C)n(C)c2c(OC)c1OC 36585114 CGPDBGKQFTXULN-GOSISDBHSA-N 440.500 2.992 0 40 IFAB O=C(NCCOc1ccc(F)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 36708454 BQFVTASZGHWNQL-HNNXBMFYSA-N 449.529 2.919 0 40 IFAB O=C(Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O)N1CCCc2ccccc21 38487195 WBKCRBPFGFCCCE-UHFFFAOYSA-N 442.454 2.929 0 40 IFAB CCCn1ccnc1SCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 39983567 JSOMLKBLOCUPJU-LZYBPNLTSA-N 434.587 2.530 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)[nH]n2)c1 42383171 OIEFILPLACKRDT-UHFFFAOYSA-N 440.422 2.625 0 40 IFAB COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)c1 44893472 IJSZDMKPOQCFRO-UHFFFAOYSA-N 425.441 2.583 0 40 IFAB CCn1c(=O)n(CC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21 48275003 DBHVASYGBHGWDS-UHFFFAOYSA-N 434.540 2.563 0 40 IFAB Cc1cccc(-n2c(O)nc3nc(N4CCC(N5CCCCC5)CC4)ncc3c2=O)c1C 67264263 KIZJRQJTAOBYDJ-UHFFFAOYSA-N 434.544 2.953 0 40 IFAB COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1 70040688 VHNSWJIGDOKKCD-GOSISDBHSA-N 443.525 2.568 0 40 IFAB O=S(=O)(c1cc(F)ccc1F)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77160842 UFHGIMBDWZPFHQ-UHFFFAOYSA-N 432.496 2.835 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@H]4C2=O)no1 85420763 HIRQDSRUPIDXSW-FORWCCJISA-N 434.279 2.893 0 40 IFAB COCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 95465958 LAUGBKKHTMNPKZ-QZTJIDSGSA-N 440.587 2.882 0 40 IFAB CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1ccc(Cl)cc1)Cn1ccnc12 96144656 LOOACTNFRXAZPH-KRWDZBQOSA-N 431.924 2.983 0 40 IFAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100625164 VXSJVZPJFPQGTN-MBOZVWFJSA-N 442.537 2.958 0 40 IFAB CC(C)C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101332599 USYYELKQQXPAGF-PCCBWWKXSA-N 427.520 2.840 0 40 IFAB CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 113947048 YGJRMIPYWYDSHN-UHFFFAOYSA-N 448.416 2.746 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 222539829 XVIOKLJYBGPXHM-GOSISDBHSA-N 430.526 2.832 0 40 IFAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)n1-c1cccnc1 223134002 AOSVNYYXTIDCSH-PKTZIBPZSA-N 448.596 2.880 0 40 IFAB Cc1cc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)nc(N2CCOCC2)n1 224231685 RFHLGQOFRZOMBW-UHFFFAOYSA-N 440.525 2.892 0 40 IFAB Cc1cccc(-c2noc(CNC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)n2)c1 225814861 VWCSUCYZJFZGJX-UHFFFAOYSA-N 431.543 2.927 0 40 IFAB CS(=O)(=O)N[C@@H](CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 225952253 NTSLDFGCXIUPCG-SFHVURJKSA-N 439.940 2.808 0 40 IFAB O=C(c1ccnc(N2CCOCC2)c1)N1CCOC[C@H](Cc2cccc3cnccc23)C1 257234454 GTOQMSOWTRIUKB-LJQANCHMSA-N 432.524 2.798 0 40 IFAB COc1ccccc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257293040 QNXMGZRXYVBEQX-UGKGYDQZSA-N 438.524 2.854 0 40 IFAB NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 257323113 WIUQHFKVSYALCQ-VWLOTQADSA-N 435.572 2.920 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 257340597 ZGVYYJIHQAGWEO-BJKOFHAPSA-N 435.568 2.726 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)cc2)c(Cl)c1 408555045 FPNZYGLIORUBCI-UHFFFAOYSA-N 426.922 2.732 0 40 IFAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)c1 408652824 DAEAIMWTDDXMGJ-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 619185672 PRAPCTBNAIZNEK-UHFFFAOYSA-N 426.922 2.675 0 40 IFAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888863878 SPQKDXGODULETL-OKILXGFUSA-N 439.459 2.712 0 40 IFAB Cc1cc(=O)n(CC(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)cn1 1889035581 GHMMGYIXMDWMSO-UHFFFAOYSA-N 440.507 2.963 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 876908 YNYNFYUQBFGBCL-WOZUAGRISA-N 426.469 2.902 0 40 IFAB CN1CCN(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1 3171757 PIHCPQMYLSBQJX-UHFFFAOYSA-N 443.356 2.686 0 40 IFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1 8383884 HBRZSAKOSHWWTD-QGZVFWFLSA-N 425.437 2.651 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2N)cc1Cl 8595699 XBOYTMGGJAPCTL-UHFFFAOYSA-N 432.843 2.861 0 40 IFAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccco2)cc1 8601314 XJSWMTABZOTXTO-OAQYLSRUSA-N 440.521 2.578 0 40 IFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8705672 QKELIHXURWTIGY-UHFFFAOYSA-N 442.537 2.798 0 40 IFAB COc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccc(Cl)cc4)cnc32)cc1OC 8903973 LVSLAVIKZIGGQQ-UHFFFAOYSA-N 425.832 2.531 0 40 IFAB O=C(Cn1c(=O)sc2ccccc21)Nc1nnc(SCC(=O)N2CCCCC2)s1 9226856 SDSKCQHUPCPOIJ-UHFFFAOYSA-N 449.583 2.658 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 9418433 RPUDAMLERHQJSW-QFBILLFUSA-N 429.542 2.923 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9466367 WWVBEPQAVPCDGI-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB Cc1noc(C)c1COc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 9594152 CUJMYILZJKCRNR-HSZRJFAPSA-N 434.452 2.982 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)cc3OC)c2C(N)=O)C1 9638879 IBXWYYJXQIPZHS-UHFFFAOYSA-N 433.486 2.631 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c(C)c1 9704102 UTDBVJUJERVSMQ-UHFFFAOYSA-N 440.521 2.865 0 40 IFAB CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(Cl)s1 9713727 VMEOXOUQAXBYGE-UHFFFAOYSA-N 427.935 2.553 0 40 IFAB O=C(NCc1cccnc1)[C@H](C(=O)c1ccc(Br)cc1)n1ccccc1=O 9763621 XCBFPAGTMLSLLK-SFHVURJKSA-N 426.270 2.746 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)c(OC)c1 10168013 ZJYOQDKWXXDJQV-KRWDZBQOSA-N 431.876 2.560 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)cc2)n2nnnc2N1 10232222 JBAUWNOPCYKRME-MRXNPFEDSA-N 440.803 2.560 0 40 IFAB Cc1sc2ncnc(SCC(=O)NCc3ccc(N4CCOCC4)nc3)c2c1C 11114517 UCTYIRZRKJYSLK-UHFFFAOYSA-N 429.571 2.948 0 40 IFAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 12220968 GIAOJOVFEGZBOU-APWZRJJASA-N 425.577 2.998 0 40 IFAB CCn1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C 12850078 LUHULOXRKHYCRM-MRXNPFEDSA-N 435.546 2.996 0 40 IFAB O=C(COc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12918574 KSQKRMCFNIEKDM-UHFFFAOYSA-N 448.850 2.669 0 40 IFAB O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 12988205 RSKKOPXUKBXMPR-UHFFFAOYSA-N 439.537 2.716 0 40 IFAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 13674546 DTRWFYZWLJULHI-UHFFFAOYSA-N 438.933 2.690 0 40 IFAB C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 14110758 GHMQAOGHUONCEM-MRXNPFEDSA-N 429.542 2.788 0 40 IFAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H](C)c1nn(CC)c(=O)c2ccccc12 19520834 QZFKGUHFNYMAPZ-FUHWJXTLSA-N 445.523 2.825 0 40 IFAB O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)NCCN1CCOCC1 19690906 MAOUUJLQFFVFHM-UHFFFAOYSA-N 443.447 2.523 0 40 IFAB O=C1N(CCc2ccccc2)CC=CC[C@]12CN(Cc1ccnc(N3CCCC3)n1)CCO2 19704488 WIUVPTWYXVMTIM-SANMLTNESA-N 447.583 2.679 0 40 IFAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)n1 19709986 GRYXHIASANSUTQ-OAQYLSRUSA-N 436.604 2.823 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 20456971 OEOUWGGCOYZDJB-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB CCCn1ccnc1SCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 23006643 FFLHAAMEZBKMLA-UHFFFAOYSA-N 429.590 2.785 0 40 IFAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1C 24308978 IWVFWGJYAQZMRS-GOSISDBHSA-N 436.464 2.874 0 40 IFAB O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1 30851601 LBFZNTAIMROKAI-UHFFFAOYSA-N 442.581 2.944 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 31682126 DUJZBPNGJYNJNA-UHFFFAOYSA-N 447.509 2.782 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Br)ccc2-n2cccc2)cc1 32102401 WCTJRIGMBLMXNF-UHFFFAOYSA-N 448.342 2.860 0 40 IFAB COC(=O)Cn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nc2ccccc2c1=O 32752679 PMHYPSGMMAOSCV-UHFFFAOYSA-N 442.884 2.752 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 32820374 YCUGOJVYWMWHDN-OAQYLSRUSA-N 428.510 2.590 0 40 IFAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 32905056 NBDQJOZZQFVZQB-NRFANRHFSA-N 448.523 2.960 0 40 IFAB COc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc(OC)c1 32910897 CMHLOKQWHWKIKI-ZDUSSCGKSA-N 426.425 2.541 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OC)C2=O)o1 33475595 LTGASKOTILDSIX-JYRVWZFOSA-N 435.230 2.930 0 40 IFAB CC(C)[C@H](CO)NC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 36569318 NRFYFMRFUDQHKZ-INIZCTEOSA-N 437.518 2.983 0 40 IFAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 39427837 RAOWUEWMMNQIFQ-HXUWFJFHSA-N 437.456 2.937 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)O)c1ccc(Br)cc1 44791352 OUTNOGPWRXZUPY-UHFFFAOYSA-N 427.276 2.552 0 40 IFAB C[C@H]1C[C@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)C1 49400240 VFFCURIWCGHADR-STQMWFEESA-N 432.887 2.805 0 40 IFAB COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)cc1 49406179 KKCGZJCCDKEEKH-UHFFFAOYSA-N 439.903 2.964 0 40 IFAB O=C(NCc1ccc(Cn2cncn2)cc1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 58016970 MVDVIDLVGFGFER-OAQYLSRUSA-N 446.536 2.639 0 40 IFAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)s2)cc1 58735990 RNCUXBDRRULCIO-GOSISDBHSA-N 429.542 2.981 0 40 IFAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cccc(C(C)=O)c3)c2C)c1 67323009 GLVUBBBHOQXBEA-UHFFFAOYSA-N 437.456 2.697 0 40 IFAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC(C(=O)N2CCOCC2)CC1 69302404 ZODJDBGZSFWDOU-DAFODLJHSA-N 425.298 2.699 0 40 IFAB CC(C)n1ncc2cc(NC(=O)N3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)cnc21 69950899 RBWQIMKZRXKUAY-KRWDZBQOSA-N 427.553 2.563 0 40 IFAB CC(C)S(=O)(=O)N1CCN(CCNC(=O)c2sc3ccccc3c2Cl)CC1 72243075 GRLVNQNVLKGQEX-UHFFFAOYSA-N 429.995 2.640 0 40 IFAB CCOc1ccc(CC(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1OCC 72330957 HMEUCURKGBQNIM-UHFFFAOYSA-N 431.485 2.903 0 40 IFAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)N2CCN(CCO)CC2)sc2ccccc12 72370824 VQNLADVBHBSGBF-IBGZPJMESA-N 443.613 2.985 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)CC1 77100518 NKGLUNNKVMUJNA-OAQYLSRUSA-N 425.920 2.936 0 40 IFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NC[C@@](C)(O)c3cccs3)cc21 77184996 MYNIKSRLDSVUAP-JOCHJYFZSA-N 429.542 2.646 0 40 IFAB CN(C)CCNC(=O)C1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 78808643 RUZLCAZGCJAGQW-UHFFFAOYSA-N 428.577 2.735 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)NCc4sc(C)nc4C)C3)ncn2)n1 90593048 BSJYAPBKEFGBBK-QGZVFWFLSA-N 425.562 2.885 0 40 IFAB COc1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)c([N+](=O)[O-])cc1OC(F)F 95425573 FPGUZVAZCMCKBZ-UHFFFAOYSA-N 440.355 2.641 0 40 IFAB CC(=O)NCCN(CCC(=O)Nc1ccc(Cl)cc1F)[C@H](C)C(=O)OC(C)(C)C 96004582 RTZKQWYTTYAXDM-CYBMUJFWSA-N 429.920 2.976 0 40 IFAB CN1C[C@H]2C3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143849 DDISTEBOFNFFAY-GHTZIAJQSA-N 440.009 2.541 0 40 IFAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C[C@@]34C=C[C@H]2O4)cc1 100788228 CJOSQSGPEHYFBB-WHLIWEHUSA-N 433.464 2.579 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4ccccc4n3C)cc2)C[C@H](C)O1 100853533 MFFXAQYGQHWLAY-MHWUSFCKSA-N 445.566 2.779 0 40 IFAB C[C@@H]1[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCC[C@H]1C 103949126 PULUHJFNAOMXCH-RYRKJORJSA-N 427.998 2.587 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220457818 YLBRLPUTDUUXBM-UONOGXRCSA-N 442.484 2.712 0 40 IFAB CN(c1ccc(OCC(=O)NCCSCc2ccccc2F)cc1)S(C)(=O)=O 223329744 MTKYHHIVPIGNSP-UHFFFAOYSA-N 426.535 2.650 0 40 IFAB COc1cc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c(C(C)=O)cc1OC 223349519 NPAQINJGUHABQF-UHFFFAOYSA-N 440.861 2.806 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4=O)cc3)ccc21 225226920 OOJUUBWVGVKBOC-UHFFFAOYSA-N 441.553 2.587 0 40 IFAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)[C@H](C)N 247997792 NDFFDCQDPHAPKQ-DUDMDALESA-N 448.611 2.780 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257239466 HPJJPKQOFVJNAF-KRWDZBQOSA-N 428.876 2.935 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)CC1 408589403 FKGVDMHUXBFOTA-LJQANCHMSA-N 437.565 2.851 0 40 IFAB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 408666889 TVHTWHZBWRYOLB-PMACEKPBSA-N 434.448 2.946 0 40 IFAB COc1ccc(-c2ccc3c(c2)CN2CCC[C@H]2C(=O)NCCOCCO3)cc1OC 643571111 XNOKYLXBRHHREX-FQEVSTJZSA-N 426.513 2.860 0 40 IFAB O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1525734168 ALCLSLIEVPHTIZ-JSGCOSHPSA-N 430.858 2.818 0 40 IFAB Cn1nc(-c2cccs2)cc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1775966692 UHRNIPZXVRPMQR-UHFFFAOYSA-N 430.555 2.863 0 40 IFAB O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccccc1 1848354435 KLGMETKMACIAGS-NGSHPTGOSA-N 429.520 2.819 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 3373204 ZEKPUWDXISVHRP-UHFFFAOYSA-N 434.404 2.880 0 40 IFAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(COc2ccccc2)nn1 3838680 QUWJVDCMABIFFK-FJIJXJHWSA-N 431.540 2.884 0 40 IFAB biogenic,in-vitro Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 8666139 DHGZULLJAAUTSF-KRWDZBQOSA-N 430.526 2.849 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 8718465 BPPUGTRXBVKAOE-AWEZNQCLSA-N 428.308 2.846 0 40 IFAB Cn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2sc3c(c2c1=O)CCC3 9125023 PGSOTMKTRNZETD-UHFFFAOYSA-N 427.507 2.790 0 40 IFAB CCCCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 9391627 VQZWGVGRCBZHQY-SJORKVTESA-N 429.542 2.785 0 40 IFAB COc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 9576028 FGYQCTPAKGJCAW-INIZCTEOSA-N 449.511 2.671 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cccc(C)c3C)CC2)cc1 9675989 GSQKDJDOIDTZTN-UHFFFAOYSA-N 432.542 2.660 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996941 SCOAPJODHJOVGP-AWEZNQCLSA-N 432.527 2.936 0 40 IFAB CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 12029780 JPFAJHLXWXSUKC-IBGZPJMESA-N 437.539 2.687 0 40 IFAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)[C@H]4CC(=O)N(c5ccccc5F)C4)C[C@@H]32)Nc2ccccc21 12086089 FGGDMVHWBCZUAW-PEPOZSNSSA-N 448.498 2.599 0 40 IFAB CN(CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1 12612461 LVRZLEQQJKKANX-UHFFFAOYSA-N 437.512 2.618 0 40 IFAB COCCN1CC(=O)N2C[C@H](c3ccccc3OC)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12878142 PMTSKOSSJVLASK-CJAUYULYSA-N 433.508 2.854 0 40 IFAB biogenic CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nc(-c3ccccc3C)no2)cc1 12879431 OPZFKVJHIJVTOM-AWEZNQCLSA-N 443.481 2.658 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 12997342 DDXZKGYCGDFIOS-SFHVURJKSA-N 443.569 2.926 0 40 IFAB CCn1c(C)cc(C(=O)COC(=O)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C 13056574 SQYOIBJEXSMBMI-CQSZACIVSA-N 446.500 2.695 0 40 IFAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O 13110046 NMOKNNZSMRJLTH-HXUWFJFHSA-N 449.294 2.786 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C1 13580883 GSQXZQWENXDKKP-OAHLLOKOSA-N 449.504 2.832 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 13685170 WYWRRUGQCACZOC-BGYRXZFFSA-N 445.519 2.939 0 40 IFAB COc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2NC(=O)COc2ccc(OC)cc2)cc1 15227251 DARHGKCPOYAWFW-SZPZYZBQSA-N 442.512 2.705 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(Br)cc2)cc1 15328690 AHORIKKTOGUDEO-UHFFFAOYSA-N 428.304 2.935 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1 15563197 IPSWRQDQYICVKG-UHFFFAOYSA-N 435.477 2.541 0 40 IFAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1n[nH]c(=O)n1C1CC1 18973743 ZCXBJBGHJNPTPL-UHFFFAOYSA-N 432.424 2.681 0 40 IFAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccc(Cl)cc3)c21)N1CCCCCC1 19337155 ULMFPKBCXXJZAG-UHFFFAOYSA-N 426.908 2.931 0 40 IFAB C[C@@H]1Cc2cc([C@@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497851 FJAINDJNBOOAJE-ZHRRBRCNSA-N 448.560 2.553 0 40 IFAB CN(Cc1cc(N(C)C)nc([C@@H]2CCCN2)n1)C(=O)CN1CCC(c2ccccc2)CC1 19709803 CIZCFZZCZRBPTO-QFIPXVFZSA-N 436.604 2.805 0 40 IFAB CCN1CCN(C(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)CC1 22231851 JKVDCARIJZBAAO-UHFFFAOYSA-N 445.585 2.504 0 40 IFAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 31172276 SSWWTOIEUIDQNA-UHFFFAOYSA-N 425.464 2.837 0 40 IFAB CCOc1cc2c(cc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@@H](C)C2 32748141 RRMLMNFMVQUANM-HOTGVXAUSA-N 432.542 2.700 0 40 IFAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 32809394 ZRDBMNVUELAGCA-HXUWFJFHSA-N 425.485 2.960 0 40 IFAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)NCC(F)(F)F 32911277 GKDXAPGACSVJIL-LLVKDONJSA-N 436.431 2.974 0 40 IFAB O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 38632329 WFRZFEFSDYNADN-NRFANRHFSA-N 429.476 2.791 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCN2Cc1cc(F)cc2cccnc12)N1CCOCC1 40086048 MHMRDNIXUMFRLV-UHFFFAOYSA-N 427.501 2.958 0 40 IFAB CCOC(=O)Cc1cc(=O)oc2ccc(OC(=O)c3ccc(CCNC(C)=O)cc3)cc12 48286285 BNRNFWVGYJXCHE-UHFFFAOYSA-N 437.448 2.796 0 40 IFAB COc1ccc(CCN2CC(=O)N(c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 55408752 PHSZYXVIIVCIFK-XZOQPEGZSA-N 442.581 2.876 0 40 IFAB CCn1c2cc(C)oc2c2cnn([C@H](C)C(=O)N3CCC(O)(c4ccncc4)CC3)c(=O)c21 57731421 VIIMMADTZIOPKC-MRXNPFEDSA-N 449.511 2.739 0 40 IFAB CC(=O)NCCc1ccc(C(=O)CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)cc1F 59009375 NZFVQRPLLSMWBG-ZDUSSCGKSA-N 429.423 2.683 0 40 IFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC 67287394 URFNAYPRRQOFAG-NRFANRHFSA-N 447.532 2.760 0 40 IFAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(OC)cc1)C(=O)C2 72371865 YZCNOBIIRUGWNW-HXUWFJFHSA-N 438.528 2.973 0 40 IFAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)cc1 84155159 UQNFOLXNWUIOPG-RTBURBONSA-N 438.528 2.997 0 40 IFAB CC(C)(C)c1cc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 95389700 ZQUVKIIYWGMZLP-SJLPKXTDSA-N 445.589 2.941 0 40 IFAB COc1cc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc(OC)c1OC 96375068 HZDOMQGAHCXSIG-UHFFFAOYSA-N 438.502 2.917 0 40 IFAB Cc1ccccc1/C=c1\s/c(=C\C(=O)c2ccccc2C)n(CC(=O)NC(C)C)c1=O 96920390 KFALSLMIGFZSBI-YXDRJAMLSA-N 434.561 2.543 0 40 IFAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1 101169732 QULHZFYIYZOCNT-MSOLQXFVSA-N 445.838 2.810 0 40 IFAB CCc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 224215906 XSHOIZANXUWHDT-IBGZPJMESA-N 446.569 2.854 0 40 IFAB CCCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)s1 224404394 DPDHFWFGGSYTFQ-LLVKDONJSA-N 430.577 2.842 0 40 IFAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224953101 ZIMFHNYEDJJZHJ-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 225527341 BBBNMCIDFGKVSM-QGZVFWFLSA-N 446.525 2.830 0 40 IFAB CC(C)OC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@@H]21 252516749 WJWHJJCWHNPKTH-TZMRYXNNSA-N 430.545 2.772 0 40 IFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 408602063 HPHVTCLFGCOWMG-QGZVFWFLSA-N 449.548 2.629 0 40 IFAB COC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 408614960 KEJVEOLWQGDNEO-CQSZACIVSA-N 426.922 2.695 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@@H]1c1ccccc1 408732757 YIYBCUGPOSQBTO-LUDQZLGDSA-N 434.517 2.916 0 40 IFAB O=c1/c(=C/c2cc(Br)c(N3CCOCC3)o2)sc2nc3ccccc3n12 408854304 CACYNYPTNSXARM-GDNBJRDFSA-N 432.299 2.649 0 40 IFAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2cccc(C(=O)O)c2)c(=S)n1C 409160563 RMEGWDBIJMXZKD-UHFFFAOYSA-N 439.497 2.526 0 40 IFAB CCS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 549930178 NSZVHKQJEKKSMM-INIZCTEOSA-N 429.947 2.976 0 40 IFAB O[C@]1(COc2ccc(F)cc2)COCCN(Cc2cccc(OCCn3cccn3)c2)C1 585273133 ATJSBVFMJMFPGZ-DEOSSOPVSA-N 441.503 2.744 0 40 IFAB Cc1noc(C)c1CN[C@@H]1C[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1c1cnc(-c2ccccc2)[nH]1 2332241763 COTJXYDWHZUKGY-RGMHLJPOSA-N 435.528 2.583 0 40 IFAB CCN1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8345457 FGPXMRDIQXNIPQ-NRFANRHFSA-N 429.586 2.841 0 40 IFAB O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3)N1CCNC1=O 8923967 YLOYOXAOQXAHSG-UHFFFAOYSA-N 444.538 2.622 0 40 IFAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1 9290864 FMGMAYCQOZXGDZ-FMIVXFBMSA-N 438.553 2.890 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)[C@@H](CCSC)NC(=O)c2ccccc2)cc1 9492184 JDUAKAGCPYLCDJ-LJQANCHMSA-N 429.542 2.644 0 40 IFAB CCOc1cccc2cc(C(=O)NCCn3nc(-c4ccccc4)ccc3=O)c(=O)oc12 9660830 NDPCMDSJHBYQIZ-UHFFFAOYSA-N 431.448 2.845 0 40 IFAB Cc1ccc(N2C(=O)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)[C@H]2C)cc1 9815120 UMNZHPHCALGBCJ-QGZVFWFLSA-N 447.495 2.589 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 11226437 MQQICCGHLIMXIV-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O 12522358 ZYOVSNUSTOTFLU-MWTRTKDXSA-N 428.533 2.599 0 40 IFAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 12633809 ZNNXEAFHERWXQF-GOSISDBHSA-N 445.585 2.881 0 40 IFAB CNC(=O)NC(=O)CCSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1 12738396 SURDIMKAGTUGHY-CQSZACIVSA-N 434.541 2.891 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1I 12770284 SAXRJJPFQVBSMA-UHFFFAOYSA-N 442.278 2.984 0 40 IFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1 12929158 KCZSYVAXHVWOSI-ZNMIVQPWSA-N 434.566 2.728 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 13128389 IZRVOGUCJWOHCI-KBMIEXCESA-N 449.507 2.809 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@@H]1c1ccccc1 13138510 COZCXKDCPHAIDQ-KDOFPFPSSA-N 427.284 2.985 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)s1 13567148 FOCJLYMKXAGYFH-JTQLQIEISA-N 449.537 2.590 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1 14070746 GLJXLQLEJALZBK-GASCZTMLSA-N 429.952 2.613 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)NC(=O)Nc1ccccc1 15419422 YJTYNOUOFQMMEK-UHFFFAOYSA-N 433.306 2.976 0 40 IFAB Cn1ccnc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19291153 DUJKVMGBGUMIAH-FQEVSTJZSA-N 438.576 2.809 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 19573746 IFQLZSRWBZEGFV-QGZVFWFLSA-N 432.590 2.933 0 40 IFAB COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2cn(C)nc21 19701589 KAWFWBOOHQZQBK-SFHVURJKSA-N 440.525 2.664 0 40 IFAB COc1cc2c(cc1CCC(=O)N1CCO[C@@H](c3ccc4c(N)nc(C)nc4n3)C1)CCC2 19704803 YYLUTDHRQHBSMY-JOCHJYFZSA-N 447.539 2.945 0 40 IFAB COc1ccc(CN2C(=O)C[C@H](N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1 19877450 YHUKBPJXPONGJQ-IBGZPJMESA-N 436.537 2.755 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 20011986 JMHGTKXZJLZRDV-ZDUSSCGKSA-N 441.347 2.956 0 40 IFAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCCN1CCOCC1 20547097 SFFTUTKBEUQLFN-AWEZNQCLSA-N 434.920 2.541 0 40 IFAB COCCOC(=O)c1c(NC(=O)CN2c3ccccc3CC[C@H]2C)sc(C(N)=O)c1C 21472864 WTOKFCRPUPZXEW-CYBMUJFWSA-N 445.541 2.738 0 40 IFAB O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCN(Cc2ccncc2)CC1 23800992 VLXORUSPTQHZNH-UHFFFAOYSA-N 440.503 2.836 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2ccc(F)cc2Br)c1 25126883 WBFBPTUJQFQCTA-UHFFFAOYSA-N 429.311 2.913 0 40 IFAB CS(=O)(=O)Nc1cccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 25239372 OYFZEZOVUFRUHX-UHFFFAOYSA-N 448.522 2.555 0 40 IFAB CCc1cccc(CC)c1C(=O)Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2 32616215 JSHMCNJLIFLOGM-UHFFFAOYSA-N 428.492 2.961 0 40 IFAB O=c1oc(-c2cccs2)nn1CCc1n[nH]c(=S)n1Cc1ccc2c(c1)OCO2 32937836 BTGFFNBSRPNSQO-UHFFFAOYSA-N 429.483 2.839 0 40 IFAB COC(=O)c1ccc(CNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1 32999836 LCRQFMKLKIYXQR-INIZCTEOSA-N 434.290 2.652 0 40 IFAB CCCCCCN(CCN1CCOCC1)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 48285747 CPQVHOBJHLYJMC-SFHVURJKSA-N 440.610 2.784 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2nc3ccc(Sc4ccc(C)cc4)nn3c2=O)cc1 49001645 MYMNTZFTEUOBRH-UHFFFAOYSA-N 449.492 2.776 0 40 IFAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)ccc2C(=O)OC)c1=O 57485897 JRIHEVHASSYJEB-UHFFFAOYSA-N 435.889 2.713 0 40 IFAB CCOC(=O)[C@@H]1[C@H](c2c(OC)ccc3ccccc23)NC(=S)N[C@]1(O)C(F)(F)F 57531347 SAOWSHFBPDQXGO-RLFYNMQTSA-N 428.432 2.797 0 40 IFAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c2C1 62007129 KUDTVEUDUWQFAX-UHFFFAOYSA-N 448.523 2.944 0 40 IFAB CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1 71184903 MWZNUUAPJNFBKI-SFHVURJKSA-N 435.952 2.718 0 40 IFAB COc1cccc(NC(=O)C[C@H](CN2CCN(c3ccccc3OC)CC2)C(=O)O)c1 71285535 DXJOSQKFPPDYEF-QGZVFWFLSA-N 427.501 2.555 0 40 IFAB Cc1nc(C2CCN(C(=O)CCc3c(C)noc3C)CC2)nc(N2CCOCC2)c1C 72337172 PBWKOKUFPHCRLG-UHFFFAOYSA-N 427.549 2.874 0 40 IFAB CNc1cc([C@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)CC(C)(C)C)CC2)n1 72341540 XULAMMRFKMMZNS-KRWDZBQOSA-N 431.581 2.623 0 40 IFAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 89651171 MMALDCWFEOGXKT-KRWDZBQOSA-N 446.554 2.709 0 40 IFAB O=C(NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)c1ccn(-c2ccccc2)n1 89857610 DLDHGIJWTQGWDY-UHFFFAOYSA-N 442.516 2.985 0 40 IFAB O=C(Nc1cnccc1N1CCOCC1)[C@@H]1CCN(c2ccccc2Br)C1=O 96011101 HSQYLAVLKUUAEM-AWEZNQCLSA-N 445.317 2.672 0 40 IFAB O=C1C[C@H](N2CCN(Cc3cccs3)CC2)C(=O)N1c1ccccc1Br 102701027 AOXGWTMOOFRERN-KRWDZBQOSA-N 434.359 2.960 0 40 IFAB COc1ccc(OC)c2c1CN(CN1C(=O)[C@H](C)N(c3ccc(C)cc3)C1=O)C[C@@H]2O 105637646 ZZOBLQWYPSUENP-YJBOKZPZSA-N 425.485 2.676 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)c1 218791476 UDYMKTPLABSNCW-LJQANCHMSA-N 432.498 2.728 0 40 IFAB COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)CC1 224159814 PQVQWGYWRRFWII-UHFFFAOYSA-N 434.489 2.676 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 225860355 MZGTWZVDZPMRPH-UHFFFAOYSA-N 425.510 2.759 0 40 IFAB CCOC(=O)COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccccc3)S2(=O)=O)cc1 225951047 GRCHOAKDLSSPQZ-JOCHJYFZSA-N 446.525 2.956 0 40 IFAB O=C1NCCN(C(=O)COc2ccc(F)cc2F)[C@@H]1Cc1ccccc1-c1cccnc1 257201603 AIHLCICNFOIQRX-OAQYLSRUSA-N 437.446 2.975 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 257253643 JZRXGIXTZKETTP-MRXNPFEDSA-N 425.924 2.861 0 40 IFAB Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 257254713 KEIRAGLHFWYQIJ-NRFANRHFSA-N 448.571 2.522 0 40 IFAB O=C(NCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1)c1cncc(O)c1 257262522 LLTBDQQIHFUBSK-INIZCTEOSA-N 438.459 2.641 0 40 IFAB Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@]2(CCN(C(=O)c4ccccc4)C2)CC3)cc1 306137229 QPXFJMJAWYGKMP-SANMLTNESA-N 442.519 2.669 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)c1 408556001 YOBJQBXYUKXBPB-SFHVURJKSA-N 432.542 2.763 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1cccc(F)c1 408610024 UJNICNLSTCIIKZ-UHFFFAOYSA-N 428.869 2.518 0 40 IFAB CCOc1ccccc1N(CC(=O)Nc1ccc(Cl)c(C(=O)OC)c1)S(C)(=O)=O 409311641 GROBUXFIKPOYPT-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB Cn1c(C[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC(=O)O)nc2ccccc21 514289231 JXOVAEVMJRPQFE-IRXDYDNUSA-N 427.526 2.918 0 40 IFAB biogenic,in-vitro C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 524485405 MHSXWINXKXRLCN-OXJNMPFZSA-N 447.539 2.786 0 40 IFAB Cc1nc(C)n(C[C@H]2CCCN(CC(C)CN3CCC[C@H](Cn4nc(C)nc4C)C3)C2)n1 532558101 GPXMVCJTGLORDR-ZEQRLZLVSA-N 442.656 2.864 0 40 IFAB CN1c2ccccc2N(C2CCN(C(=O)Cc3noc4ccccc34)CC2)S1(=O)=O 575414128 UKDRSWSPZFKWSI-UHFFFAOYSA-N 426.498 2.563 0 40 IFAB Cc1ccccc1N1CCC(O)(CNC[C@@]2(O)CCN(c3ccnc4cccnc34)C2)CC1 585283889 PMFBDLNIPGYAJW-SANMLTNESA-N 447.583 2.501 0 40 IFAB C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H]4Cc5cc(F)ccc5O4)CC3)cc2NC1=O 607112209 DDKGWXWMIGCSQU-LRTDBIEQSA-N 438.455 2.970 0 40 IFAB CCN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cn(C)nn3)CC2)C1=O 643554423 IKVQQGPLEQAETC-UHFFFAOYSA-N 439.560 2.691 0 40 IFAB COCCn1cnc2c(N3C[C@H]4CN(c5nc(C(F)(F)F)cs5)C[C@H]4C3)ncnc21 1888910631 IFBXZJGXEGIIBT-TXEJJXNPSA-N 439.467 2.521 0 40 IFAB COc1ccccc1CN(C1CCCC1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1 934179 DJTKPUCBIDVOOK-UHFFFAOYSA-N 443.529 2.813 0 40 IFAB CCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 2179187 RCNGPMKVYBKEAZ-UHFFFAOYSA-N 444.294 2.623 0 40 IFAB COc1cc(-c2noc(-c3ccccc3C(=O)N3CCOCC3)n2)cc(OC)c1OC 2194241 HTXGELJVZHWENQ-UHFFFAOYSA-N 425.441 2.902 0 40 IFAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CCC2 2654208 WREXZOWPXCIVLV-UHFFFAOYSA-N 443.525 2.853 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 4847558 UYPPZQZMUXWLKX-LJQANCHMSA-N 428.537 2.614 0 40 IFAB COc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 4896319 KIVPDQDIAWNWHQ-UHFFFAOYSA-N 425.529 2.940 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C 8944377 ORBZOEKOOQGOTM-INIZCTEOSA-N 443.500 2.759 0 40 IFAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nnnn4-c4ccccc4)C3=O)ccc2c1 9076927 AWZIZTZBPJFMEF-QHCPKHFHSA-N 428.452 2.791 0 40 IFAB O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9125464 GWSATLRBTDEYDG-UHFFFAOYSA-N 435.571 2.550 0 40 IFAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(C)c1 9429845 NOBTYRDASGWFRV-UHFFFAOYSA-N 437.573 2.762 0 40 IFAB O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccc(C(=O)N2CCCCC2)cc1 9517217 WMGZUSJJHZCPPU-UHFFFAOYSA-N 426.542 2.755 0 40 IFAB COCCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 9593894 UWVHMCFILZXESM-OALUTQOASA-N 439.541 2.866 0 40 IFAB Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2n1 9647350 VXFHPEZEGSNUKO-NVXWUHKLSA-N 444.582 2.797 0 40 IFAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 9665983 QGLRYZCLEGJQHQ-AWEZNQCLSA-N 443.525 2.938 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)CC1 9667750 RPTNVGWAKNQZFW-UHFFFAOYSA-N 443.569 2.751 0 40 IFAB O=C(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC(=O)Cc1ccccc1 9670447 JHUOFDAQNSCSOT-QFIPXVFZSA-N 444.487 2.977 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3C)C2=O)cc1Cl 9674921 NZNOGCTUPMFIKR-MSOLQXFVSA-N 427.848 2.589 0 40 IFAB CCOC(CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2)OCC 10220917 VFQSZWQRXPQZRG-UHFFFAOYSA-N 432.546 2.690 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@H]3c1cccc(OC)c1OC 10233191 VDPLZFWUFCYWOH-FQEVSTJZSA-N 438.480 2.926 0 40 IFAB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCN(c2ccccc2)CC1 10267901 LWIWRAASYWYGMJ-QHCPKHFHSA-N 437.521 2.507 0 40 IFAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 10323848 AQXJDYZAGUWRMA-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB NC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)cc1 10334250 RZXVAFSFBIBKLE-QFIPXVFZSA-N 430.508 2.831 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(C(=O)N2CCCCC2)cc1 10460792 YEWKWFKWOODEFV-UHFFFAOYSA-N 448.317 2.714 0 40 IFAB O=C(COc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 12587385 NXPAWZSHJSIIPA-UXHICEINSA-N 429.538 2.927 0 40 IFAB COc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 12710721 QIUAOVYOBIOEEI-UHFFFAOYSA-N 438.484 2.861 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(C)(C)N1CCOCC1 12796501 HSERZMXECVFNJI-UHFFFAOYSA-N 449.548 2.776 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)c1cccs1 13040300 ORZXHYIMFIFNIM-CQSZACIVSA-N 427.979 2.585 0 40 IFAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@H]([C@@H]4CC(=O)c5cc(F)ccc5O4)C3)nc2n1 13225753 AOOZIINSVDTSMJ-YWZLYKJASA-N 437.475 2.695 0 40 IFAB COc1ccccc1-c1ccc(N2CCN(S(=O)(=O)CCc3ccccc3)CC2)nn1 13663804 DEWKULRYKHNCMR-UHFFFAOYSA-N 438.553 2.847 0 40 IFAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 13990299 MEFOSUGBNNBNQG-UHFFFAOYSA-N 431.558 2.931 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 14022229 FUUSMKYSZXZWCT-JOCHJYFZSA-N 445.560 2.760 0 40 IFAB CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4cccc(F)c4)CC3)C2=O)cc1 14944092 ZIQDYONDGXTCIQ-NRFANRHFSA-N 439.487 2.751 0 40 IFAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 15987307 ZGARRZVIUISVCF-YHUYYLMFSA-N 430.302 2.778 0 40 IFAB CC(C)[C@H]1N[C@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16021944 UZPHEAGMUZZUDX-RGKFVRLKSA-N 437.927 2.959 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nc(=O)n3ccccc3n2)sc2c1CCCC2 16048059 YZMJAZAOIITZCN-UHFFFAOYSA-N 444.538 2.937 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1 16188359 IODRGHMREKWPQS-UHFFFAOYSA-N 432.420 2.982 0 40 IFAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc21 16837536 IODHJUCTLZVZCZ-UHFFFAOYSA-N 440.543 2.607 0 40 IFAB CCc1ccc2c(COC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc(=O)oc2c1 17261601 CQTMLQKEGKIGPM-UHFFFAOYSA-N 429.494 2.804 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccc1F)CN(C(=O)COc1ccc(F)cc1)C2 19696306 HHNYMLIUXJALAU-LJQANCHMSA-N 440.450 2.520 0 40 IFAB CNc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2c1CCN(C(C)=O)C2 19710952 WGCONCGEYBQJMY-UHFFFAOYSA-N 425.508 2.511 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)nn2C)cc1 19764573 LGGLHMDALVTTGJ-IBGZPJMESA-N 434.500 2.660 0 40 IFAB COc1cccc(OCCOC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 19938589 YDRHHGWWKANBLI-NRFANRHFSA-N 434.964 2.923 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3c4ccccc4C[C@H]3C)s2)cc1 20486295 JMFLXWPSDYCXQR-GFCCVEGCSA-N 430.511 2.939 0 40 IFAB COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2C)cc1 28058293 LRSLGQOADWXHNC-KRWDZBQOSA-N 427.519 2.521 0 40 IFAB O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 32210823 HAVXBAKSLDTTQA-UHFFFAOYSA-N 433.436 2.767 0 40 IFAB CN(c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1 32911175 RNSLGMIMAOMROE-GOSISDBHSA-N 438.933 2.839 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)cc1 33732001 KXRKXUKGAHYTIC-HNNXBMFYSA-N 439.541 2.723 0 40 IFAB c1ccc(-n2nnnc2C2(N3CCN(c4ncccn4)CC3)C3CC4CC(C3)CC2C4)cc1 35170791 LLPATKHHASKDIX-UHFFFAOYSA-N 442.571 2.926 0 40 IFAB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2cccc(Cl)c2)CC1 35291449 YJQJCLLIRPFVKU-OAQYLSRUSA-N 442.951 2.893 0 40 IFAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36353273 XBMMKEWWGPGDJR-SFHVURJKSA-N 435.452 2.543 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1=O 58158183 HEFDHHZHZVXYFZ-INIZCTEOSA-N 436.512 2.531 0 40 IFAB CC[C@@]1(C)CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 72303164 FPVWKMPKADTQRU-QFIPXVFZSA-N 436.574 2.897 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)c4cccnc4)C3)nc2C)c1 72354998 LAPTWPQLBDUEJH-IBGZPJMESA-N 431.496 2.748 0 40 IFAB O=C(NCCCn1ncccc1=O)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77191827 SVPRPBDBVZUSQH-UHFFFAOYSA-N 437.447 2.515 0 40 IFAB COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5ccc(NC(C)=O)cc5)C(=O)[C@H]24)O3)cc1 106916646 CJOSQSGPEHYFBB-YOEKFXIASA-N 433.464 2.579 0 40 IFAB COc1cc(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 220057652 LAQZNDXDYRXXJZ-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB CCOc1cc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)ccc1OC 222789840 XXVUAEKHDHCKAY-CYBMUJFWSA-N 442.484 2.843 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 222983418 BZFOWUFVBAGHIG-QGZVFWFLSA-N 427.636 2.800 0 40 IFAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 223798981 RQFYKHRWGCFPAK-UHFFFAOYSA-N 446.569 2.781 0 40 IFAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 224083480 VNKVZJOURYOIEI-GOSISDBHSA-N 435.524 2.659 0 40 IFAB COc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 224419918 ZXEIHWFAIRICOL-UHFFFAOYSA-N 446.569 2.916 0 40 IFAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 224912982 TZWPVFPTILHZOR-UHFFFAOYSA-N 446.510 2.995 0 40 IFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)ccc21 225017648 JNULRKZZQZZCOZ-UHFFFAOYSA-N 427.526 2.623 0 40 IFAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 225065253 ZJZYMQYBJSXXHU-INIZCTEOSA-N 432.542 2.770 0 40 IFAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 225846788 LYJKPFHEXIMVBR-UHFFFAOYSA-N 425.510 2.913 0 40 IFAB CCC(CC)C(=O)N1[C@H]2CCCC[C@H]2NC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)OCO2 227136044 NTJMUTZDJGUNKR-FGTMMUONSA-N 429.517 2.818 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c1 238961725 YNQIZFJCPZBFAR-UHFFFAOYSA-N 438.553 2.553 0 40 IFAB O=C(N1CCOC[C@H](Cc2cn3ccnc3cn2)C1)C1(c2ccccc2F)CCOCC1 257271609 MZADGICUPPQAKO-GOSISDBHSA-N 438.503 2.634 0 40 IFAB CCN(CC)CCNC(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 306140368 URFILKVVODHTDK-UHFFFAOYSA-N 433.516 2.662 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1)c1ccccc1 408590474 HIWUKOOGHFBYRV-SFHVURJKSA-N 442.541 2.508 0 40 IFAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)NC[C@H]3CCCO3)c12 409141561 VNMCVOGAEFUFJN-HPKGMJOESA-N 440.569 2.529 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 409254252 WPBDUUVYEALILP-UHFFFAOYSA-N 433.530 2.548 0 40 IFAB C[C@@H]1c2nc(C(=O)NCc3ccccn3)cn2CCN1C(=O)c1cn(C)c2ccccc12 585096475 PDGIXXSMYLBPPV-MRXNPFEDSA-N 428.496 2.917 0 40 IFAB CC1(C)COCCC[C@H]2CN(C3COC3)CC[C@H]2CC(=O)N(Cc2ccccc2)C[C@@H]1O 1534613870 ZMTKBBSZAWTEKB-FIXSFTCYSA-N 444.616 2.940 0 40 IFAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2coc3ccccc3c2=O)c1O 1547206042 MJALWCUPUWOHOO-MRXNPFEDSA-N 427.453 2.700 0 40 IFAB CN(Cc1cnc2n1CCOC21CCN(C(=O)c2cnn3ccccc23)CC1)CC1CC1 1565555245 CPKMRIWJEAUFEH-UHFFFAOYSA-N 434.544 2.534 0 40 IFAB CC(=O)N(C)[C@@H]1CCOC2(CCN(CC3(O)CCN(c4ccccc4C)CC3)CC2)C1 2037845999 KQKHENYLIZLCED-JOCHJYFZSA-N 429.605 2.818 0 40 IFAB CCN(CC)c1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 3396462 FGLKVHBECZRSJZ-UHFFFAOYSA-N 427.457 2.809 0 40 IFAB COc1cc([C@@H]2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 5847751 HRWLIZTXVYDLSM-NRFANRHFSA-N 445.497 2.590 0 40 IFAB CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1C(F)(F)F 8748187 JRTIAKFTPBQKSU-CQSZACIVSA-N 425.359 2.797 0 40 IFAB biogenic,in-vitro COc1ccccc1C[C@]1(C)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3C)n2)C1=O 8779805 AFJQGIRNUWTZHX-QHCPKHFHSA-N 447.499 2.568 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(NS(C)(=O)=O)c2)cc1 9514609 YDCYUACMLTZPFE-UHFFFAOYSA-N 439.559 2.858 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9846759 AJKZQUIWYBLHGZ-MRXNPFEDSA-N 445.516 2.992 0 40 IFAB COc1ccc(NC(=O)CCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1 9988670 KKKXGHHTQHHHAA-UHFFFAOYSA-N 436.555 2.837 0 40 IFAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 10119344 AZOZHCWUULZPLX-UHFFFAOYSA-N 436.555 2.621 0 40 IFAB NC(=O)N[C@H](CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccs1 10321433 JLDHJDACRRGIBJ-CQSZACIVSA-N 431.543 2.933 0 40 IFAB COc1ccccc1N1C(=O)[C@@H]2C(C(=O)C(c3ccccc3)c3ccccc3)=NN[C@H]2C1=O 12320935 GCXHKNRHZSTLPF-FYYLOGMGSA-N 439.471 2.914 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 12891474 CRUBHWHWHVOCBA-LJQANCHMSA-N 437.374 3.000 0 40 IFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)C[C@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O 12927195 BIOYOQZOHLVKRT-QGZVFWFLSA-N 442.516 2.600 0 40 IFAB CC[C@H](NC(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C)C(=O)Nc1ccccn1 13686612 UBLHTDVALRKENW-AWEZNQCLSA-N 426.473 2.746 0 40 IFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(F)cccc1F 13956683 XKPXAOKLENIKRO-UHFFFAOYSA-N 435.431 2.893 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1OCC 17319682 REGJXDUOZVXWGH-UHFFFAOYSA-N 437.470 2.858 0 40 IFAB COc1ccccc1CC(=O)N1CCC(O)(Cn2ncc3ccc(NC(C)=O)cc32)CC1 19022788 RFJJHMSLCYXMOS-UHFFFAOYSA-N 436.512 2.600 0 40 IFAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccccc3F)CC2)C[C@H](C)O1 19497306 VOCFCCZLUSCGIH-HOTGVXAUSA-N 428.508 2.747 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 19522993 LEEMAIJIMWZFHG-QFIPXVFZSA-N 430.512 2.547 0 40 IFAB Cc1nonc1C(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(C1CCCCC1)C2 19558783 PIWWKTGLJZCROF-SFHVURJKSA-N 426.521 2.932 0 40 IFAB Cc1nn(C)cc1CN1CCO[C@@H](c2c(C(=O)N(C)CCO)sc3ccccc23)C1 19697679 WRMWSQRDTFJSPV-GOSISDBHSA-N 428.558 2.581 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cnn(C)c2C)CCO1 19697691 GRQXIQQILDWJMQ-QGZVFWFLSA-N 442.541 2.533 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CCCN2CCCC2=O)nc2c1CCC(=O)N2CC(C)C 19742013 GJPSSRPUCGURJV-LJQANCHMSA-N 441.576 2.786 0 40 IFAB Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1 22641785 JBDRBWKOTSBRMT-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB CN(C)[C@H](CNC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1cccc(F)c1 22682985 JQONYNGGCRYJFP-QGZVFWFLSA-N 427.567 2.707 0 40 IFAB COc1ccc(CN2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1OC 22793832 ZTCJEKJJBPLAMH-UHFFFAOYSA-N 427.549 2.772 0 40 IFAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(Cc2ccco2)Cc2ccco2)C1=O 24809607 HLQRRALGCKZXPR-HSZRJFAPSA-N 436.468 2.763 0 40 IFAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O 28947873 KJXURXZSTDFOKH-LBPRGKRZSA-N 433.563 2.779 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCCc1nc2ccccc2[nH]1 29986722 FCSBIKOKNPXVBF-UHFFFAOYSA-N 431.422 2.928 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccsc3c2=O)NC(=O)N[C@@H]1c1ccc(Cl)cc1 31788914 YQINHWJCGKZMRP-MRXNPFEDSA-N 444.900 2.983 0 40 IFAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N4CCC[C@H]4C(N)=O)ccc23)cc1 32123988 OPRJABLDOVQOBP-IBGZPJMESA-N 436.464 2.632 0 40 IFAB biogenic COC(=O)c1ccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 32741766 DQGKTOUZCAXUEE-ZRRNVASKSA-N 441.524 2.695 0 40 IFAB C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@H](C)O1 34869920 XUFWPLOWDHKXCA-PKFCDNJMSA-N 446.139 2.953 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(C)c(C)c1 38183645 KJFCLGPTAKPSKQ-GOSISDBHSA-N 435.484 2.896 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)o2)C1 49448202 DLYXLSMSECQYJT-AWEZNQCLSA-N 443.529 2.625 0 40 IFAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1 57490197 WSNGUXMVMFAVJF-UHFFFAOYSA-N 449.488 2.932 0 40 IFAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72346124 MTEBWOOCICWQDM-MRXNPFEDSA-N 449.477 2.783 0 40 IFAB COc1ccc(CN(C(=O)COC(=O)c2cn(C)c3nc(C)ccc3c2=O)C2CC2)cc1 78813123 DFUGFFHWWMYULA-UHFFFAOYSA-N 435.480 2.599 0 40 IFAB O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 78964444 ZNDUTHIETMUSTK-NRFANRHFSA-N 441.620 2.679 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 89861281 ZBWNGAUHBWMQFG-UHFFFAOYSA-N 428.510 2.607 0 40 IFAB CCc1ccc(OCCc2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)s2)cc1 95116393 VIEDIGMJRWVYGR-UHFFFAOYSA-N 436.493 2.957 0 40 IFAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 95986331 RGYJPYRSICOOBP-UHFFFAOYSA-N 426.860 2.885 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1 96231235 KVSHUPBYHDXQIB-PMACEKPBSA-N 425.460 2.626 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5cccc(C)c5)no4)[C@@H]3C2=O)cc1OC 101271724 AXOPBPFEGRIBNL-OALUTQOASA-N 448.439 2.556 0 40 IFAB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]23)c(OC)c1 101358982 YGSIKGVIXXFPIC-NVXWUHKLSA-N 431.242 2.759 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 113965221 ABWXVICFRKKTQS-MRXNPFEDSA-N 448.541 2.890 0 40 IFAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2 113966288 SSHHQPINNRMMLD-UHFFFAOYSA-N 426.441 2.921 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 222707294 MNPUEVPZOIVUPI-GDBMZVCRSA-N 436.555 2.797 0 40 IFAB CC(C)Oc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1 224687505 CPUOEYQTVHVULJ-UHFFFAOYSA-N 426.564 2.831 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCOc4ccccc43)C2)c1 260749421 VFRWTROPHGOERU-INIZCTEOSA-N 446.525 2.530 0 40 IFAB Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)c1C 408594341 PWZWQYSCACZAOO-UHFFFAOYSA-N 445.585 2.718 0 40 IFAB COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408607874 QTNPJOYXEFPWTM-INIZCTEOSA-N 431.341 2.646 0 40 IFAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408655384 CTWDJEGXNIZNQF-SWCJPYALSA-N 444.487 2.587 0 40 IFAB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1ccc(Br)cc1Cl 408668357 WJNLZNHXVPXIKU-ARIMKUTISA-N 428.666 2.782 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1C 408693087 GFYOJRDTELWRQG-UHFFFAOYSA-N 432.498 2.827 0 40 IFAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 2723432 VWHRYHBQXLWAKG-UHFFFAOYSA-N 448.888 2.663 0 40 IFAB CC(C)CN(C(=O)CN(C)Cc1cccc(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3361221 MYIVOFJSURVXIZ-UHFFFAOYSA-N 449.983 2.549 0 40 IFAB CCn1c(SC[C@H]2CCCCO2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 5254495 SNNUFABNGQPDPN-OAHLLOKOSA-N 425.576 2.738 0 40 IFAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)cc2c1 6148930 OZECXOVGFVIECL-NQIIRXRSSA-N 438.532 2.524 0 40 IFAB CCCCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 9128517 HDQGARZJKNWUJF-UHFFFAOYSA-N 438.532 2.778 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O 9329624 ZAPZGWLDIUSHIH-IBGZPJMESA-N 438.871 2.610 0 40 IFAB biogenic CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1F 9667914 IQHLDXLXKAADOZ-UHFFFAOYSA-N 433.505 2.857 0 40 IFAB COc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849568 IJROPLRBLQZYDP-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB CCOc1cc([C@H]2c3c(-c4ccc(OC)cc4)nnc(O)c3Nc3nnnn32)ccc1O 10295582 HRUITNRAKISRKM-IBGZPJMESA-N 433.428 2.643 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697532 LVWXEFOFSKANNM-UHFFFAOYSA-N 428.452 2.684 0 40 IFAB Cc1ccc(OCC(=O)N(Cc2ccc(Br)o2)[C@@H]2CCS(=O)(=O)C2)cc1 11913995 KZOHOCNEOYUHML-CQSZACIVSA-N 442.331 2.945 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)Oc2ccccc21 12085723 HMLFFJCMODNTTG-WVMBUTMQSA-N 425.529 2.699 0 40 IFAB COC(=O)Cn1cc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)c2ccccc21 12117868 OFQQGEYIQJQMHQ-UHFFFAOYSA-N 449.555 2.692 0 40 IFAB COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1OC 12219506 ONSYXVGVXIXUPS-LJQANCHMSA-N 437.544 2.964 0 40 IFAB COc1ccccc1Oc1coc2c3c(ccc2c1=O)OCN([C@@H]1CCS(=O)(=O)C1)C3 12442555 XMIPKWLNRNIYFI-CQSZACIVSA-N 443.477 2.933 0 40 IFAB biogenic CCn1c(CCC(=O)NCc2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 12582776 ZMQSEIGHWSPTEG-UHFFFAOYSA-N 444.557 2.564 0 40 IFAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)cc2c1 12782040 SJJQEXUSQBBWEI-UHFFFAOYSA-N 438.484 2.708 0 40 IFAB Cc1sc2nc(CSc3nnc(COc4ccccc4F)n3N)[nH]c(=O)c2c1C 12974455 VSFPEVWFPQSXFJ-UHFFFAOYSA-N 432.506 2.917 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 13027074 ZNYCNXHQWXWVDM-XMMPIXPASA-N 435.480 2.742 0 40 IFAB O=C(NCC(=O)N1CCSc2ccccc21)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13236127 GIVUFHKTOXHNFL-QGZVFWFLSA-N 438.509 2.602 0 40 IFAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 13568373 AKLHZCZOFJJSOR-UHFFFAOYSA-N 448.566 2.854 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 13670583 VQTLFEYAWDKKJK-UHFFFAOYSA-N 430.526 2.602 0 40 IFAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1cccs1 14129612 NOOGSQKYXXLPNB-QFBILLFUSA-N 449.598 2.933 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14401255 KIIOEAXEVSZONO-MRXNPFEDSA-N 447.557 2.624 0 40 IFAB CCN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 15880165 STMLNEOJOQWFGX-UHFFFAOYSA-N 434.587 2.948 0 40 IFAB COc1ccccc1CN1CCCC[C@H]1C(=O)N1CCC(O)(Cn2ccnc2C)CC1 19287834 OCHYEYXODIVSOG-NRFANRHFSA-N 426.561 2.608 0 40 IFAB O=C1CC[C@]2(CCCN(C(=O)COc3ccc4c(c3)OCO4)[C@@H]2c2cccc(F)c2)N1 19294311 XVUGAIDISQLIPJ-PKTZIBPZSA-N 426.444 2.946 0 40 IFAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2cc(C)nn2)C1 19528942 JHLFRYMSHKHYJI-HSZRJFAPSA-N 437.569 2.913 0 40 IFAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(S(=O)(=O)NCc2cccs2)c1 21873124 CDZWOCBFKHTUMS-INIZCTEOSA-N 444.534 2.796 0 40 IFAB CC[C@@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22362763 AGSNGLDXFJXVFS-MRXNPFEDSA-N 436.530 2.746 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 22883387 JOJQGFHSLJBEBG-UHFFFAOYSA-N 438.509 2.850 0 40 IFAB C[C@@H](NC(=O)COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1cccc2ccccc12 27986704 JLOWUUWAPYHJSA-MRXNPFEDSA-N 437.496 2.815 0 40 IFAB COc1ccc(N[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1S(=O)(=O)N(C)C 28853260 AMWZGYVZGGMAMO-CQSZACIVSA-N 445.541 2.538 0 40 IFAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 33681936 OQKDDARXXJZRAG-UHFFFAOYSA-N 432.542 2.729 0 40 IFAB O=C1N[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CS[C@H]1Cc1ccccc1F 36397948 STDRRONKXVDPJR-PMACEKPBSA-N 441.528 2.843 0 40 IFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc21 38700211 QGRYYHHEMUXKRS-MRXNPFEDSA-N 445.516 2.920 0 40 IFAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCN1CCOCC1)CN2c1ccccc1 38829876 VTDNZJOUIOUSCE-UHFFFAOYSA-N 445.567 2.843 0 40 IFAB CCCN(CC(=O)NN1C(=O)N[C@@](C)(CC)C1=O)[C@@H](C)c1ccccc1Br 40122954 BIZRHAWLQIZJST-DJJJIMSYSA-N 439.354 2.974 0 40 IFAB COCc1nn2c(ncc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(F)cc1 40397172 QVMOTAHIXDXURT-UHFFFAOYSA-N 444.426 2.776 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O 44837121 CKZTYOSSGIWBTD-UHFFFAOYSA-N 438.438 2.824 0 40 IFAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 44900383 PTZFXMGMFVAQNV-UHFFFAOYSA-N 446.510 2.506 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 48354776 VLNGPEQLJOGPIG-FMKPAKJESA-N 438.956 2.869 0 40 IFAB CC1CCN([C@H](C)CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 58169217 OGHTUPDXLIFVGX-OAHLLOKOSA-N 435.366 2.786 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)CCC2)cc1 58434054 DVWRULVDDLBZNE-UHFFFAOYSA-N 432.586 2.943 0 40 IFAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCN3CCN(C)CC3)CCCO2)c1 72345659 ZBLWOTIVFGQZSH-AREMUKBSSA-N 437.584 2.818 0 40 IFAB O=c1cc([C@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccccn2)[nH]1 72393251 ROBRHKVZENMLPY-IBGZPJMESA-N 431.544 2.992 0 40 IFAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 79072372 DIWVGHYOBDFRGF-CABCVRRESA-N 432.546 2.681 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 95426522 BMIQLVCFYJIUDX-ROUUACIJSA-N 428.360 2.607 0 40 IFAB COc1ccc(CCNC(=O)CCc2ccccc2OC(F)(F)F)cc1S(N)(=O)=O 95455575 KPWCADNUYXFVQQ-UHFFFAOYSA-N 446.447 2.533 0 40 IFAB CCOc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 113944920 FNCRTSZZBFMYBF-SFHVURJKSA-N 432.542 2.811 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O 113968580 PNHJDJAWNFUVPF-HXUWFJFHSA-N 448.564 2.761 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCCN2CCCCC2)s1)c1ccc(Cl)cc1 223127124 UNADJLFXWBIHFK-UHFFFAOYSA-N 443.982 2.598 0 40 IFAB CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223613029 OOFYLLDTNLIKSS-UHFFFAOYSA-N 441.918 2.614 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1cc(C)ccc1C 224009180 ZRRMMVNPXYYVLT-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB CCOC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224503150 LWZCCLGROZCBOJ-UHFFFAOYSA-N 432.483 2.768 0 40 IFAB O=C(O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 253496009 YWBBQAWHZQMDHT-XGMKGGNISA-N 441.909 2.908 0 40 IFAB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@H](O)[C@@H]3O 253617524 SYHUKNSTHJICMX-MCLMHSMZSA-N 438.605 2.508 0 40 IFAB COc1cccc(CNC(=O)CCc2c(C)nc3cc([C@H]4CCN(C(C)=O)C4)nn3c2C)c1 257211711 CAAVGROQVXEEKH-FQEVSTJZSA-N 449.555 2.940 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)cc1 409062051 MQSJTNJFQJLYBJ-VNGKGULCSA-O 448.474 2.859 0 40 IFAB COc1ccc([C@H]2CN(C(=O)c3ccccc3NC(=O)c3ccn(C)n3)CCN2C)cc1 585261812 PDHZFRGBQIKILZ-JOCHJYFZSA-N 433.512 2.810 0 40 IFAB COc1ccccc1CCC(=O)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576424 ITEAXPGXRZWLJG-FCHUYYIVSA-N 427.541 2.984 0 40 IFAB Cc1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)nn1-c1ccc(Cl)cc1Cl 678954465 YVIIKWVDHMWJRD-ABAIWWIYSA-N 445.372 2.887 0 40 IFAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 1653683573 DVCXPPWEHKHROR-SECBINFHSA-N 437.831 2.516 0 40 IFAB CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 815463 SFXNBPVQITYHNX-UHFFFAOYSA-N 431.514 2.554 0 40 IFAB Cc1cccc(C(=O)N2CCC(c3nc(=O)c4nnn(Cc5ccccc5)c4[nH]3)CC2)c1 1325119 DUOWDNDRFFATAU-UHFFFAOYSA-N 428.496 2.891 0 40 IFAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(C)cc1 2453840 DINSWQHOIFCROD-UHFFFAOYSA-N 431.543 2.652 0 40 IFAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 8670787 FJCGBIVYBXEJJO-QGZVFWFLSA-N 429.567 2.674 0 40 IFAB COc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1NC(C)=O 8986880 VATIDQUMGAQEAV-GOSISDBHSA-N 432.498 2.951 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1 9095638 DKNCMVXWABYPPL-KRWDZBQOSA-N 444.557 2.884 0 40 IFAB Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3n2)cc1 9396750 LRMXWNYQDOCHND-KRWDZBQOSA-N 438.505 2.670 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1C 9665901 XKSGLUOWISDLFV-UHFFFAOYSA-N 437.452 2.504 0 40 IFAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 9699010 UBRCVIHVKGTPEY-UHFFFAOYSA-N 443.460 2.564 0 40 IFAB CCCCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C 9745930 FNDQXZMEKAYMLO-IBGZPJMESA-N 437.606 2.578 0 40 IFAB O=S(=O)(c1ccc(Cl)c(NC2=NN=C(c3ccc[nH]3)CS2)c1)N1CCOCC1 10029690 JAAOBHDFBZSJJM-UHFFFAOYSA-N 439.950 2.608 0 40 IFAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 10932103 VBNZBIZZVCVGFX-OAHLLOKOSA-N 435.473 2.583 0 40 IFAB O=C(NCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H]1COc2ccccc2O1 12325140 SYKLCTVEOOJMQE-NRFANRHFSA-N 443.931 2.725 0 40 IFAB Cc1cccc(-n2c(S[C@H](C)C(=O)Nc3cc(C)on3)nnc2N2CCOCC2)c1 12522037 LWNYVHKKPHGSCW-OAHLLOKOSA-N 428.518 2.828 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O 12522356 ZYOVSNUSTOTFLU-WAIKUNEKSA-N 428.533 2.599 0 40 IFAB Cc1ccccc1[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12556648 BMEUEUXXBPILGB-INIZCTEOSA-N 428.558 2.942 0 40 IFAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1cccc(I)c1 12787507 MQKLFLNLAUDZEX-UHFFFAOYSA-N 427.223 2.808 0 40 IFAB C[C@H](Sc1nnc(CN2CCOCC2)n1-c1ccccc1)C(=O)Nc1nccs1 13945812 SUMBHVSOGHNTAN-AWEZNQCLSA-N 430.559 2.675 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)n2)cc1 14812944 LPARUTBJUDYZLR-UHFFFAOYSA-N 434.468 2.830 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1C 16684883 IBBOIIFXUNXPHD-MRXNPFEDSA-N 447.509 2.742 0 40 IFAB COc1cc(Br)c(CC(=O)OCC(=O)NCc2cccs2)cc1OC 17894124 HUGLPCIAULTFAK-UHFFFAOYSA-N 428.304 2.930 0 40 IFAB CCCN1CCN(C(=O)Cn2cccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502791 IKNMPHMCTXFGLU-HSZRJFAPSA-N 431.540 2.885 0 40 IFAB CNc1nc(C)c(C(=O)N2CCC(Cc3nn(C)cc3C(=O)NC3CCCC3)CC2)s1 19757099 SPFUGKPKXCWLPU-UHFFFAOYSA-N 444.605 2.994 0 40 IFAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)C4CCCC4)CCO3)nc3ccccc23)CC1 19759550 BJLNGQVQYSQSNP-QHCPKHFHSA-N 436.556 2.713 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CCN(C)c3ccc(F)cc3)C2)ncc1C(=O)N(C)C 19763147 JYWMAFAFHDDDEM-KRWDZBQOSA-N 427.524 2.858 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)ncc1C(=O)NCc1ccc(F)cc1 19765450 NHNMIBJBBIOUFU-QGZVFWFLSA-N 436.491 2.607 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20105244 MMHDITDVCGXWHD-QFIPXVFZSA-N 435.634 2.999 0 40 IFAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccnc2)N1CCN1CCOCC1 20308157 IYUSYRRHKAZMBJ-IBGZPJMESA-N 425.872 2.719 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2C[C@H]1C 20449193 RQHNNXXWERRGHE-GOSISDBHSA-N 427.570 2.745 0 40 IFAB Cc1csc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)n1 21687295 PQPOFKCJDKSMEC-UHFFFAOYSA-N 448.614 2.584 0 40 IFAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 22208126 XSQRSHAXSDCJDV-QGZVFWFLSA-N 434.533 2.938 0 40 IFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 25573987 KKGYHJWUAVJSPF-GFCCVEGCSA-N 445.916 2.776 0 40 IFAB O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1nc2c(s1)CCC2 25769048 CMJVNQNYONEJED-UHFFFAOYSA-N 430.349 2.701 0 40 IFAB COC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1ccc(OC)c(OC)c1OC 26503505 FELCXIQJDDXFHY-ZDUSSCGKSA-N 433.486 2.522 0 40 IFAB NC(=O)c1ccsc1NC(=O)CCN1CCN(C(=O)c2cccc3ccccc23)CC1 27898824 WVGFBFCISMKJKU-UHFFFAOYSA-N 436.537 2.787 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cc1 32670321 CNZHXMHXZFFAIS-UHFFFAOYSA-N 428.554 2.576 0 40 IFAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(F)cc1Br 32927755 CAVJFHHXQBLOOX-UHFFFAOYSA-N 435.340 2.977 0 40 IFAB CCc1ccc2c(CN3CCN(S(=O)(=O)N4CCCCCC4)CC3)cc(=O)oc2c1 36437886 DCOVRNOGYBQCCA-UHFFFAOYSA-N 433.574 2.594 0 40 IFAB COc1ccc(NC(=O)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 41098165 OPTKGLZSULSDDV-KSFYIVLOSA-N 439.512 2.836 0 40 IFAB CCOc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44851500 CSPWPKLUZGHZOD-NRFANRHFSA-N 432.542 2.670 0 40 IFAB Cc1nc(-c2noc(-c3ccncc3)n2)cn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 49420720 XRLAGRUHZWRQGI-UHFFFAOYSA-N 447.474 2.791 0 40 IFAB C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 58953963 GEEATKIKUODUAU-OGWOLHLISA-N 437.943 2.616 0 40 IFAB O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(F)cc1F 65314728 UXHJXDZYHLBAIX-UHFFFAOYSA-N 447.511 2.981 0 40 IFAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 71328801 SQUUKKPAXCRMNW-QGZVFWFLSA-N 439.516 2.506 0 40 IFAB O=C(NCc1cccc(Br)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850209 BRBJZWINJQOUAV-CQSZACIVSA-N 429.361 2.980 0 40 IFAB Cc1cnccc1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)CC1 72389792 OFBFCLBSACZRGA-UHFFFAOYSA-N 434.544 2.925 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cncc(OC(C)C)c1)n2CCC 89955451 IUQNMVBNHXMDME-UHFFFAOYSA-N 443.504 2.636 0 40 IFAB O=S(=O)(Cc1cccc(F)c1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 90558869 QUWOHBMXDIUDLS-UHFFFAOYSA-N 443.504 2.800 0 40 IFAB C[C@H](NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)c1ccccc1 90610061 DKMHJSUQUOXYNV-AWEZNQCLSA-N 428.539 2.861 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1F 96025557 FLIAHZHRIBPZDK-HNNXBMFYSA-N 427.519 2.851 0 40 IFAB Cc1cc(C(=O)N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC(C)C)C3)no1 96145161 GBYLEJPNMRFMPV-UHFFFAOYSA-N 447.557 2.945 0 40 IFAB O=c1ccc(-n2ccnc2)nn1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 97164989 VXPSEVNMUXKFEG-HXUWFJFHSA-N 438.434 2.874 0 40 IFAB CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)c4cccc(F)c4)nn3c2O)C1 100234995 CVGWWZWTLQTPKG-IBGZPJMESA-N 437.475 2.846 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220436455 KBGPECKFARPLFZ-JTQLQIEISA-N 430.313 2.886 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 223662932 SNSPSOOUHPDDCS-UHFFFAOYSA-N 434.411 2.806 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 223698110 IJYHFLHPJFWCDE-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)ccc1C 223909850 WDNCFDLNGLQDMJ-UHFFFAOYSA-N 431.470 2.661 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)O2 224165859 RVWZLTMLABAALO-IBGZPJMESA-N 438.933 2.679 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccccc2Cl)Oc2ccc(Cl)cc21 224477906 GLTGOHSKWZWJML-KRWDZBQOSA-N 445.324 2.716 0 40 IFAB Cc1cccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224815695 KTRANBKJHQMKIO-UHFFFAOYSA-N 448.541 2.508 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225071294 COQLYNANFLNPPM-UHFFFAOYSA-N 437.568 2.581 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 248149751 WXUNKRPLHVKSKK-TWHAJKEOSA-N 435.568 2.721 0 40 IFAB CN1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257303114 SFVCSFYAKSVEOD-VXKWHMMOSA-N 448.567 2.607 0 40 IFAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)Cc3c(Cl)cccc3Cl)ccc21 585271101 HEJKQPCVWUDSBB-UHFFFAOYSA-N 431.322 2.954 0 40 IFAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3[nH]c4c(C)cc(C)cc4c3C)CC2)OC[C@]1(C)O 2037885168 VHADQDVHSAJHGW-CVDCTZTESA-N 427.545 2.744 0 40 IFAB COCCn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)CO1 2056225724 ZWZUBERJNSWIAM-OAQYLSRUSA-N 444.551 2.860 0 40 IFAB CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 2598638 JSDRRTOADPPCHY-MTNREXPMSA-N 438.524 2.567 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 3581486 FAJIQLFQJVHHCL-UHFFFAOYSA-N 430.935 2.934 0 40 IFAB COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 3848818 LPWCGQSHIPNJPH-PBHICJAKSA-N 429.226 2.585 0 40 IFAB biogenic CCN1CCN(c2ccc(NC(=S)NC(=O)c3c(OC)cccc3OC)cc2)CC1 4123077 GOESJRRTCWJKNS-UHFFFAOYSA-N 428.558 2.973 0 40 IFAB COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)C2)c1 4904448 BUFCPRXIOQWNNG-QFIPXVFZSA-N 425.485 2.554 0 40 IFAB CCCCn1c(SCN2C(=O)c3ccccc3C2=O)nc2cc(S(N)(=O)=O)ccc21 6467677 AFDYPIPHTVUMJL-UHFFFAOYSA-N 444.538 2.830 0 40 IFAB COc1ccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c(OC)c1 6924605 LMALRCWKZDRTNC-UHFFFAOYSA-N 432.531 2.746 0 40 IFAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 8601476 WVTLMDKUQAEPSB-QGZVFWFLSA-N 448.591 2.800 0 40 IFAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 8777037 LAEZTGDWWXJDTA-HXUWFJFHSA-N 437.519 2.954 0 40 IFAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)cc1F 9227028 SVASLMPCWZDWFH-UHFFFAOYSA-N 447.268 2.961 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)cc2)cc1 9238690 GNOZNLOLQBTFKV-RBUKOAKNSA-N 425.514 2.679 0 40 IFAB Cc1ccc(-c2csc(NC(=O)COC(=O)CCCCCNS(C)(=O)=O)n2)cc1 9255534 AWQBBYUZHVABQR-UHFFFAOYSA-N 439.559 2.710 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(C)cc1C 9761597 PSYYKVJKYFMFLP-UHFFFAOYSA-N 428.466 2.794 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1F 11375659 MUODTSRFRQKODY-WBVHZDCISA-N 449.552 2.861 0 40 IFAB Cn1ncc2c(SCC(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)ncnc21 11685676 UTTJIBHAXPHOPL-UHFFFAOYSA-N 425.514 2.812 0 40 IFAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030575 LMBLHNNRNNKNEN-AWEZNQCLSA-N 431.894 2.692 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237197 FBOFANSPAATHDF-SPLOXXLWSA-N 436.468 2.970 0 40 IFAB CCCCC1CCC(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 12444719 VCTBENHXOUPYQC-UHFFFAOYSA-N 436.622 2.646 0 40 IFAB Cc1[nH]c(SCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)nc1Cc1ccccc1 12532119 BRPZMFAOPFAAIQ-CQSZACIVSA-N 444.582 2.926 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)nc1C 12693433 VAAKACXQPHAWHR-AWEZNQCLSA-N 447.538 2.985 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 13042235 IMSNANWWIUYIAY-AWEZNQCLSA-N 427.979 2.585 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 13141259 CXGAGMTZWAHIDF-NRFANRHFSA-N 449.942 2.820 0 40 IFAB Cc1ccc(CCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 13649757 XSSCJFCNBKLDDE-KRWDZBQOSA-N 432.542 2.670 0 40 IFAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1 13955822 OINDADQOLJGZGT-UHFFFAOYSA-N 431.468 2.797 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccnn1Cc1cccs1 14068581 NBWWVQDZCCHPKH-UHFFFAOYSA-N 446.554 2.575 0 40 IFAB CCc1ccc(CCC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 14251280 LIFUVRDXFBSXFF-UHFFFAOYSA-N 430.570 2.660 0 40 IFAB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)c2ccccc2)c1 17026679 ROTXWVCGBGQGBB-UHFFFAOYSA-N 447.520 2.827 0 40 IFAB Cn1c(=O)n(C)c2cc(CN(CCNC(=O)c3cccs3)Cc3ccccn3)ccc21 19289791 YWFAGQWHNPEQOK-UHFFFAOYSA-N 435.553 2.766 0 40 IFAB C[C@@H]1Cc2cc(C(=O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497840 HMGJRQDVXYGMKZ-MRXNPFEDSA-N 446.544 2.703 0 40 IFAB COc1ccc(OC)c(CN(Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)c1 19551398 DYXCRZGQKBJVEV-NRFANRHFSA-N 428.533 2.512 0 40 IFAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2cccnc2)CC1 19754121 YDNNOYFVKSIGCP-UHFFFAOYSA-N 447.539 2.849 0 40 IFAB CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 20150687 OLYMSKIHWOMGRD-KCXPTXFHSA-N 446.500 2.924 0 40 IFAB CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccccc1SCC(=O)NC1CC1 22521254 HVRGKVDAPCMKHD-UHFFFAOYSA-N 446.569 2.963 0 40 IFAB CC(C)[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 22929647 KNAPIDNQJCGDHJ-QHCPKHFHSA-N 434.544 2.965 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CCOc3ccc(Cl)cc3)C2=O)cc1 23763552 DFANGHRMADGPKJ-JOCHJYFZSA-N 429.904 2.953 0 40 IFAB COc1ccc2cc([C@@]3(C)NC(=O)N(CN4CCN(c5ccccn5)CC4)C3=O)ccc2c1 23908536 DCWNLZORKRLWSB-RUZDIDTESA-N 445.523 2.790 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(C[C@@H](O)COc3cccc(Br)c3)C2=O)c1 24086920 YETOCZQFJRDXBO-QRWLVFNGSA-N 449.301 2.665 0 40 IFAB C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 25052086 UKRCPEGRGNSIIX-CQSZACIVSA-N 425.566 2.944 0 40 IFAB CCOc1ccc(-c2noc(Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)n2)cc1 26131888 MOIWRQNQJPYVKY-UHFFFAOYSA-N 447.373 2.611 0 40 IFAB O=C1N[C@H](C(=O)NCc2ccc(Cn3cccn3)cc2)CS[C@H]1Cc1ccccc1F 29232409 FOBFNGBAIHDYSH-SFTDATJTSA-N 438.528 2.530 0 40 IFAB CN(Cc1nc2ccccc2[nH]1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 30658625 XSJMSMBEZMFRFR-UHFFFAOYSA-N 448.495 2.900 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 30873022 ZZVSVMKQUAGGMM-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCN(c2ccccc2O)CC1 32795519 DAUNNECXUYYUOH-HNNXBMFYSA-N 444.329 2.856 0 40 IFAB COC(=O)c1ccc(CCNC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)cc1 32938931 HPWMFNPXRIFRDY-UHFFFAOYSA-N 440.525 2.588 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@@H](C(C)C)N[C@@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)cc1 35363891 SWVRIMJCONVLAH-UVPKRVSESA-N 433.508 2.580 0 40 IFAB biogenic COc1cccc(Cn2nnc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)no4)cnc32)c1 44166548 ZAAOMIPEDZHKDE-UHFFFAOYSA-N 449.858 2.797 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@@H]1c1ccccc1 57414247 QLSPSGQQTDMGHL-HSZRJFAPSA-N 434.540 2.907 0 40 IFAB CCCCOc1ccc(-c2cc3c4nn(CC(=O)N[C@H](C)CC)c(=O)n4ccn3n2)cc1 67290645 POZCLJJZLNVYAH-MRXNPFEDSA-N 436.516 2.904 0 40 IFAB Cc1cc(C)c(NC(=O)c2nnn(CC(=O)NCc3ccc4c(c3)OCO4)c2C)c(C)c1 71327468 BIUXEJGREGDKSJ-UHFFFAOYSA-N 435.484 2.809 0 40 IFAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)[C@H]2CCOC2)C1 72337725 YPJLJTXREKSYLX-LTMIRXACSA-N 432.492 2.917 0 40 IFAB O=C(c1cccnc1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348004 YKWCFESFAIOZGB-HXUWFJFHSA-N 430.512 2.790 0 40 IFAB COC(=O)c1nc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)sc1CCc1ccccc1 95475839 LXYCXZLBTUJVPH-LJQANCHMSA-N 448.508 2.930 0 40 IFAB O=C(NCc1ccccc1)[C@H]1Cn2ccnc2C2(CCN(C(=O)c3ccccc3)CC2)O1 96144688 JCCSRUZPGPHZKJ-OAQYLSRUSA-N 430.508 2.730 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)CNC(=O)c3ccccc3F)C2=O)cc1 97996369 YYPFDHFWCYWOBE-LDADJPATSA-N 441.484 2.717 0 40 IFAB C[C@@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@@H]3N2Cc2ccnc(N3CCOCC3)n2)C1 100116711 POIHGVMYUKNCST-LZNRXBQRSA-N 435.576 2.601 0 40 IFAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 225238922 HVVDZKDGECLICC-LJQANCHMSA-N 438.505 2.838 0 40 IFAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc(Cl)c1)S(C)(=O)=O 225262186 VYDKAPXVEBYNTH-IAGOWNOFSA-N 438.933 2.841 0 40 IFAB O=C(C[C@H]1CN(C(=O)Cc2ccccc2)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 257228528 FUEXVCKTELZTGD-REWPJTCUSA-N 440.515 2.913 0 40 IFAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 408660996 AKQWGNVWABBKHA-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB C[C@@]1(c2cccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)c2)NC(=O)NC1=O 618005806 LYJDJTWDVXKYEP-SFHVURJKSA-N 434.330 2.859 0 40 IFAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(Cl)c(C)c4)C[C@H]23)n1 1549162762 VRCBLBPZEWSLTM-KRWDZBQOSA-N 442.907 2.674 0 40 IFAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1 3338381 DISYINMYPAVWJB-UHFFFAOYSA-N 437.452 2.535 0 40 IFAB COc1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1OC 3418385 PYUSDQFLDCJWSJ-UHFFFAOYSA-N 435.318 2.945 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccnc2SC)cc1 3452472 UWXYVJWNRWILCW-UHFFFAOYSA-N 437.543 2.630 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)NCCc1ccccc1)OCO3 6446448 VRIJENSAFMZFFM-UHFFFAOYSA-N 439.537 2.558 0 40 IFAB COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cn1 9156092 OGIXDTZGXDHMDV-UHFFFAOYSA-N 444.435 2.647 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc(NC(C)=O)cc2)NC(=O)N[C@@H]1c1cccs1 9315659 KUQSGXOGCYQBIR-GOSISDBHSA-N 443.481 2.735 0 40 IFAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CCCN3C3=NS(=O)(=O)c4ccccc43)cnc21 9415698 LYMYROQEYBXLOS-KRWDZBQOSA-N 438.513 2.564 0 40 IFAB CC[C@@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 9509302 PWCWIKUGXATWTE-OAHLLOKOSA-N 430.954 2.531 0 40 IFAB COc1ccc(-n2c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 9662584 YVRFMBRMTIWPAI-MRXNPFEDSA-N 445.566 2.772 0 40 IFAB COc1cccc(Cn2c(NCc3ccc(Cl)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 9886113 WFYSVNLWDLFZJO-UHFFFAOYSA-N 439.903 2.756 0 40 IFAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C 11904650 WCRWZFSVVCFLHA-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C 11906035 CYNWKEHAIRJLAH-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB C[C@@H](C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21)N1C(=O)CSC1=O 12219776 DQPZBSOVHXTOIN-LRDDRELGSA-N 425.514 2.752 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(N4CCCCC4)cc3)C2=O)cc1 12543280 BYURWYYOMGYTCP-UHFFFAOYSA-N 436.468 2.619 0 40 IFAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12695941 HJMDZPXAMRWGDY-UHFFFAOYSA-N 445.508 2.636 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1cc(C(F)(F)F)ccc1Cl 13566831 MYSIVFHNGJNBOE-UHFFFAOYSA-N 438.859 2.528 0 40 IFAB Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 14182855 MKQYVKPPLLVBCU-UHFFFAOYSA-N 428.432 2.866 0 40 IFAB CCCN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 14190348 GWJUHJUVKHDRKE-UHFFFAOYSA-N 435.527 2.603 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCn2c(=O)oc3ccccc32)c1 14250961 ROIOLSWJCPQQBL-UHFFFAOYSA-N 447.513 2.750 0 40 IFAB COc1cccc(C(=O)NCC2=NO[C@@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)c1 15085685 UFOPPOXINWEJLH-KRWDZBQOSA-N 428.441 2.559 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c4c(c3)OCCO4)CC2)s1 16146563 WWLNTYRJVLQYJH-UHFFFAOYSA-N 442.946 2.628 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c(OC)c1 16261615 VNPWNTPDESKUMV-HXUWFJFHSA-N 432.542 2.773 0 40 IFAB Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 17012302 MGGFBPGIAUOQEM-UHFFFAOYSA-N 435.450 2.603 0 40 IFAB CCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1C 20461147 WSLVYQQRSBYJDO-UHFFFAOYSA-N 446.525 2.586 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(SC)cc1 20461915 RYJNEOUYMVNUDE-UHFFFAOYSA-N 430.573 2.905 0 40 IFAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)NCc1ccc2c(c1)OCO2 20533814 NYVAHXKULHTUTI-UHFFFAOYSA-N 447.491 2.673 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 22356117 DZBYIURWNHNMTD-INIZCTEOSA-N 444.557 2.893 0 40 IFAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(CCOc2ccc(Cl)cc2)CC1 22803335 MFDFXSKLLVNCMY-UHFFFAOYSA-N 434.968 2.939 0 40 IFAB C[C@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccccc1Cl 22929496 ACLCBKDMLFZOMZ-QRVBRYPASA-N 435.012 2.639 0 40 IFAB CCOc1ccc(-c2noc(Cn3c(=O)n(C[C@@H]4CCCO4)c(=O)c4ccccc43)n2)cc1 23126722 BKCZZWKBOWLCCM-SFHVURJKSA-N 448.479 2.839 0 40 IFAB COc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c1 24589772 NVAXPFMMPRTLRJ-OAHLLOKOSA-N 427.526 2.867 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c(C)c1 24937827 GMRXBGHUNRRTGO-QGZVFWFLSA-N 449.598 2.890 0 40 IFAB CCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 25122664 CJFTVYWLTAPUKZ-UHFFFAOYSA-N 433.505 2.615 0 40 IFAB CNS(=O)(=O)Cc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)cc1 26633842 ZLMUVHSVCVJOHC-UHFFFAOYSA-N 437.359 2.846 0 40 IFAB NC(=O)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c2ccccc21 32101698 FMXLELNKUUPLLQ-QFIPXVFZSA-N 435.871 2.695 0 40 IFAB COc1ccc(OCCN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)cc1 32819355 DICAPLXIQADUJB-UHFFFAOYSA-N 437.540 2.768 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1OCC 33024121 VHTTYBIQMOEPCY-QGZVFWFLSA-N 428.485 2.512 0 40 IFAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 35532432 GDXOWNYSUKGMOR-LJQANCHMSA-N 435.455 2.798 0 40 IFAB Cc1ccc(Cn2cnc(NC(=O)CCn3c(=O)cc(C(F)F)c4cn(C)nc43)n2)cc1 36621290 CIISZNOUZFTOII-UHFFFAOYSA-N 441.442 2.650 0 40 IFAB Cc1c(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)oc2c(F)cccc12 40135093 SKMOZVGADVUOLA-UHFFFAOYSA-N 427.457 2.787 0 40 IFAB CC(=O)Nc1ccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)cc1 57506660 JGLSZEVDXJSITN-UHFFFAOYSA-N 431.496 2.712 0 40 IFAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CSc2nncn2-c2ccc(OC)cc2)C1 58195384 PKOZUROUEBNCHX-DLBZAZTESA-N 445.589 2.911 0 40 IFAB CN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 72241263 AFZNOOBAAIHZAW-VXKWHMMOSA-N 427.932 2.583 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1 72271765 FKSZZOMQITYBFQ-INIZCTEOSA-N 438.958 2.977 0 40 IFAB CCN1CCN(C(=O)CN2CCCC2=O)[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351468 MYNJIEOHRJLPHP-QHCPKHFHSA-N 449.551 2.586 0 40 IFAB COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cc(Cl)c5c(c4)OCO5)C[C@@H]32)c(OC)n1 72395414 VABOVJOZUQMILJ-CGSMKXTHSA-N 433.892 2.606 0 40 IFAB Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 95350294 LVYUUNDQJAITQM-IAGOWNOFSA-N 446.529 2.691 0 40 IFAB COC(=O)c1nc(NC(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)sc1C(C)C 95475287 XNOLUDMTJUWHFA-CQSZACIVSA-N 444.513 2.749 0 40 IFAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 95476541 KJNUKRFRSXBLNO-QMZDIEEXSA-N 446.551 2.602 0 40 IFAB CCS(=O)(=O)[C@](Br)(I)C(=O)c1ccccc1F 96518563 YECSPRQDBNYFDG-SNVBAGLBSA-N 435.052 2.927 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3[C@H](C(=O)[C@@H]4OC[C@@H]3O4)[C@H]3C=Cc4ccccc4N32)cc1OC 100249570 NOZZTXUAPWQXFG-UXWHTCSHSA-N 433.460 2.727 0 40 IFAB biogenic,in-vitro CCOc1ccc2sc(NC(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)nc2c1 100848364 FCMHZZDHSQSHLR-SYWGBEHUSA-N 426.498 2.624 0 40 IFAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223122116 RWGFNVWPWHOFMM-QHCPKHFHSA-N 443.975 2.748 0 40 IFAB COc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 224021668 YSICDADJDIJATE-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 224190899 CIRCKHIWAIBUPI-UHFFFAOYSA-N 437.537 2.586 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C)c3)CC2)c1 226078316 PGTOZSZKCDMFAV-UHFFFAOYSA-N 432.542 2.729 0 40 IFAB CS(=O)(=O)N1CCC[C@H]1C(=O)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 240178584 ZBJUTCBTJDOQMQ-OCCSQVGLSA-N 443.978 2.886 0 40 IFAB O=C(COc1ccccc1/C=c1\sc2ncnn2c1=O)Nc1ccccc1C(F)(F)F 256055416 GIXKWVBEUBLKJM-SXGWCWSVSA-N 446.410 2.735 0 40 IFAB O=C(O)CC1(CC(=O)NCC2(O)CCN(c3ccnc4ccncc34)CC2)CCCC1 257276666 NUQYTNFOAUMNPM-UHFFFAOYSA-N 426.517 2.503 0 40 IFAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)C1=O 408600283 BBWKXSCHPWEGFW-SXGWCWSVSA-N 437.470 2.625 0 40 IFAB CCOc1cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1 409208961 BBSYGTIGKPIAAX-BOPFTXTBSA-N 426.494 2.895 0 40 IFAB O=C(C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21)NCC1CCOCC1 585095193 JPAGUZVURFGOHY-HUUFRCNWSA-N 440.588 2.916 0 40 IFAB O=C(Cn1c2ccccc2n2c(SCC(=O)N3CCCC3)nnc12)NC1CCCCC1 1325812 JEQGQCCCBGKIIL-UHFFFAOYSA-N 440.573 2.847 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2F)CC1 3325053 SSZLACGSAYTGCZ-UHFFFAOYSA-N 437.562 2.637 0 40 IFAB Cc1ccc(CNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 3453640 OOBSXJALMVZPEK-UHFFFAOYSA-N 444.553 2.951 0 40 IFAB CN(Cc1ccccc1)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 8297613 HRNAZPCXZKSTOP-BKULYWANSA-N 448.571 2.530 0 40 IFAB biogenic,in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9124842 RHQBHDPBHBUSMU-XLIONFOSSA-N 448.523 2.887 0 40 IFAB Cc1c(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 9184016 YDIQUJHZWYEIBS-AWEZNQCLSA-N 443.521 2.914 0 40 IFAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 9494121 PLXUFHHNMJXLJO-DEOSSOPVSA-N 435.480 2.742 0 40 IFAB COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 9646186 LFQKVWLXIUOVJC-UHFFFAOYSA-N 428.554 2.859 0 40 IFAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(F)c1 9746791 KSCLTWRGNLURDR-INIZCTEOSA-N 439.534 2.575 0 40 IFAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O 9783221 KEXHFAZYDLLCFR-VOIUYBSRSA-N 437.496 2.882 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 9819147 CRQDCPAWQRHHGW-NSHDSACASA-N 446.872 2.560 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 10119352 ICUOXPHTSDNIGL-UHFFFAOYSA-N 436.555 2.621 0 40 IFAB C[C@@H](Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)C1CCCCC1 11457604 USLJNZLFFCEXRE-CYBMUJFWSA-N 447.605 2.596 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1 12311541 BAVSZVQNAVHTGS-INIZCTEOSA-N 442.965 2.930 0 40 IFAB COc1cc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)ccc1O 12324546 GXVAJAIFPVYFQD-XMSQKQJNSA-N 426.494 2.645 0 40 IFAB CC(C)c1ccc(-n2nnnc2SCC(=O)NCC(=O)Nc2ccc(F)cc2)cc1 13018155 ITQLBHYZYQKWCG-UHFFFAOYSA-N 428.493 2.772 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 13038177 ZEUHDWCNTSYKGG-FQEVSTJZSA-N 426.542 2.741 0 40 IFAB CCC(=O)N(c1nnc(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)s1)C1CC1 13112784 MGMOKNSNUPJCEK-UHFFFAOYSA-N 448.530 2.621 0 40 IFAB COc1ccc(CCN2C[C@@H](C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2=O)cc1OC 13130958 NBHBYWWKRXIEAH-SFTDATJTSA-N 439.556 2.514 0 40 IFAB COc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c1 13501703 POENRMMEQVNSJE-UHFFFAOYSA-N 430.530 2.962 0 40 IFAB CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1 13503991 CAROPIOOSXHHAI-FQEVSTJZSA-N 438.532 2.967 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 13672095 XMDAAVCTWGSWJW-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB Nc1nc(COC(=O)CCn2c(=O)oc3ccccc32)nc(Nc2ccc(Cl)cc2)n1 14247154 FVNIGLJYBFXMHU-UHFFFAOYSA-N 440.847 2.892 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 15505130 VRVVZKNHYCOYMY-UHFFFAOYSA-N 443.569 2.871 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2)c(C)cc1=O 17975716 NGLOXRWEIJAZGM-UHFFFAOYSA-N 440.887 2.914 0 40 IFAB O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 18047300 XGUORRHBOCQQIB-AZUAARDMSA-N 429.517 2.818 0 40 IFAB C[C@H](c1ccccc1)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 18125009 YUVYBXPTYUNMRO-MRXNPFEDSA-N 428.558 2.976 0 40 IFAB CCOc1ccc(OCCNC(=O)COC(=O)c2ccccc2N2CCCC2=O)cc1 19175230 AOFLNYCZYZPKNW-UHFFFAOYSA-N 426.469 2.564 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3c(C)n(C)c4ccccc34)CC2)cc1 19581820 ISLNJIOIWGQWEO-QFIPXVFZSA-N 443.569 2.535 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 19709564 GMBGNNYRPDKSJQ-SFHVURJKSA-N 448.571 2.951 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CN(C(C)=O)CC2 19710883 KSPCKKLPZMDNAX-OAQYLSRUSA-N 437.544 2.728 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCC(C)C)cc2c1 19823843 HPYOKWJJJCWWCD-UHFFFAOYSA-N 430.618 2.810 0 40 IFAB C[C@@H]1Cc2cc(C(=O)Nc3ccc(NC(=O)[C@H]4CCCO4)cc3)ccc2N1S(C)(=O)=O 23151358 NTFHNBOUTLDQLW-JLTOFOAXSA-N 443.525 2.767 0 40 IFAB Cn1ccnc1[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 24772139 YUPPHXAFRICBKU-YCRPNKLZSA-N 436.443 2.547 0 40 IFAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 24974607 MNUAOVFMXDIKBH-KSSFIOAISA-N 437.448 2.898 0 40 IFAB CN(C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O)[C@H]1CCCc2ccccc21 31452114 KBEZPCQULNHILH-INIZCTEOSA-N 446.429 2.650 0 40 IFAB CCCn1c(=O)n(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c2ccccc21 32836881 ZSCWEWJNSLUMQH-UHFFFAOYSA-N 436.560 2.784 0 40 IFAB CCOc1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1S(=O)(=O)N(C)C 32865826 QGEKIGUHNPPUED-UHFFFAOYSA-N 431.518 2.914 0 40 IFAB Cc1cc(=O)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)nn1-c1ccccc1F 32900584 LLDLKUGWXHIOKD-UHFFFAOYSA-N 430.443 2.720 0 40 IFAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58111564 XFUHEVVPGSWOGG-FPOVZHCZSA-N 431.558 2.834 0 40 IFAB CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 58897656 QGRDJUPDTWBDNS-UHFFFAOYSA-N 431.558 2.770 0 40 IFAB CN(C)CCn1ccc2cc(NC(=O)CNC(=O)c3cnc4ccccc4c3O)ccc21 65317324 VQIIQCLLTFENRU-UHFFFAOYSA-N 431.496 2.825 0 40 IFAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccnc1 72191613 OZZQCUISEWBPHH-UHFFFAOYSA-N 428.493 2.535 0 40 IFAB Cc1cc(C)cc(C2(C(=O)N3CCC[C@@H](c4ncc(C(N)=O)c(C)n4)C3)CCOCC2)c1 72345562 SWUQLHVGMAICTN-LJQANCHMSA-N 436.556 2.955 0 40 IFAB COc1ccc(C2(CN3CCC(NC(=O)[C@H]4CCS(=O)(=O)C4)CC3)CCCCC2)cc1 72393623 FYXHVVDFKCHEBA-IBGZPJMESA-N 448.629 2.912 0 40 IFAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)no2)c(OC)c1 89960386 PUORCWLPQBBRAK-OAHLLOKOSA-N 443.547 2.669 0 40 IFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 95351751 ALKJEYNSWGETEL-OPYAIIAOSA-N 428.492 2.914 0 40 IFAB O=S(=O)(c1cccc(CN(Cc2cccs2)C[C@H]2CCCO2)c1)N1CCOCC1 95966260 BIHCYRFBVILJSU-LJQANCHMSA-N 436.599 2.950 0 40 IFAB COc1ccccc1CCN1C[C@@H](C(=O)Nc2cccc(C(=O)c3nccn3C)c2)CC1=O 96224174 KMNKEFTWPZUXHH-IBGZPJMESA-N 446.507 2.689 0 40 IFAB O=C(NCc1cccs1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)CC12CCOCC2 96241142 BDWMHRMDEAYVDD-IBGZPJMESA-N 434.583 2.623 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 100278952 QJUQTUHYQBIKIC-GHPWRHCUSA-N 443.455 2.864 0 40 IFAB CCOCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 109019295 FPQRAIRMIDZLKF-UHFFFAOYSA-N 448.585 2.780 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 195758044 LRHOREJRTCMJCN-FBROZUCGSA-N 447.443 2.619 0 40 IFAB CCOC(=O)[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 218179261 PDXCEXPRYLTROM-CMKODMSKSA-N 437.901 2.517 0 40 IFAB CC[C@H](C(=O)N[C@H](C)COc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219111986 QMWKZOIULLNQJD-FOIQADDNSA-N 438.521 2.963 0 40 IFAB C[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 223886200 FIJIFRNLODBPNK-LBPRGKRZSA-N 444.962 2.630 0 40 IFAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224341176 RLMHRXUELPJCLQ-NRFANRHFSA-N 432.542 2.824 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 224446531 LDJLWLRJNIVULF-CQSZACIVSA-N 440.949 2.996 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225195225 JUMPGROBVMQLHG-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccncc3)CC2)Oc2ccccc21 253616705 OBDFZWDFKFNIEJ-URNZLVBDSA-N 446.551 2.681 0 40 IFAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 408612103 YJZMRSSMFHXHQV-HNNXBMFYSA-N 434.514 2.798 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)c1 408616548 AGBIHBRIXNIQGE-LLVKDONJSA-N 428.894 2.671 0 40 IFAB COc1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 408626467 ZAISEUFFFQCROG-UHFFFAOYSA-N 441.347 2.536 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c(OC)c1 408669737 ODFACUAHNCZXFR-INIZCTEOSA-N 426.469 2.855 0 40 IFAB Cc1cc(C)cc(-n2nc(NC(=O)N3CCN(c4nccn5cnnc45)[C@@H](C)C3)cc2C)c1 540831400 UVFHHWBNMQAEOY-SFHVURJKSA-N 445.531 2.978 0 40 IFAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 879768 IQPOVGFQAOLJIJ-MOPGFXCFSA-N 431.558 2.571 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)ncn1 939842 BKAPEDBSPGLJKH-UHFFFAOYSA-N 444.469 2.556 0 40 IFAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 1805640 ANGCMKMCWLKPEK-UHFFFAOYSA-N 449.598 2.940 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 2093822 TVSCAVKGPVJGIA-AWEZNQCLSA-N 427.478 2.863 0 40 IFAB biogenic CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)Cc4ccccc4)CC3)cc21 2318885 UUFAXFMAUMMULV-UHFFFAOYSA-N 437.471 2.750 0 40 IFAB CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N1CCC(C(=O)O)CC1 8877464 XFDZFGZZWQEHKR-OALUTQOASA-N 444.532 2.527 0 40 IFAB biogenic CN(CC(=O)Nc1ccccc1Br)Cc1cccc(S(=O)(=O)N(C)C)c1 9054451 RDCLOFYHJBGKRD-UHFFFAOYSA-N 440.363 2.770 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCc2ccc(OC)c(OC)c2)cc1 9215625 SNKPTONCMDPONG-UHFFFAOYSA-N 449.507 2.974 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 9416452 KHSOGZQLLOWBQA-UHFFFAOYSA-N 436.859 2.833 0 40 IFAB CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)ccc21 9464984 ILGQARRUNDHDAK-UHFFFAOYSA-N 425.470 2.775 0 40 IFAB Cc1ccsc1CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 9530032 FTFFMWZCZKQYBN-RDJZCZTQSA-N 435.596 2.709 0 40 IFAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 9549227 GJSNLQRMARRXJS-IBGZPJMESA-N 431.489 2.510 0 40 IFAB C[C@@H]1CCCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 9662270 UJQFPTNBMXTAES-QGZVFWFLSA-N 442.537 2.853 0 40 IFAB CC(C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 9747386 SBHOSSWROWMLAV-QGZVFWFLSA-N 443.997 2.552 0 40 IFAB CC(=O)Nc1cccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c23)c1 9821131 NANWUKDCDWNMDP-UHFFFAOYSA-N 431.452 2.537 0 40 IFAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9951056 PLNZWPXHMFTJFK-ZDUSSCGKSA-N 443.554 2.911 0 40 IFAB CC(=O)c1cccc(NC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)c1 12236798 PLPFWKNFNSCGTH-UHFFFAOYSA-N 436.493 2.966 0 40 IFAB COc1ccc(Oc2coc3c4c(ccc3c2=O)OCN([C@@H]2CCS(=O)(=O)C2)C4)cc1 12442558 XSEHWSJBBLOSLQ-CQSZACIVSA-N 443.477 2.933 0 40 IFAB biogenic CCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC 12775277 YLTNOCRSJWUQTP-MRXNPFEDSA-N 447.557 2.873 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(C(=O)OC)CCCCC2)ccc1Cl 12817508 VCGBUKHDZJWKRN-UHFFFAOYSA-N 430.954 2.976 0 40 IFAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 12916662 DSXYBALTWODLID-QGZVFWFLSA-N 428.949 2.799 0 40 IFAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=S)NC[C@H]2CCCO2)c1 13683214 GHTLPBSJOGABNP-CYBMUJFWSA-N 437.543 2.667 0 40 IFAB CCn1c(CN(C)CCOc2ccccc2F)nc2cc(S(=O)(=O)N(C)C)ccc21 15046289 XOCKQEOHTBJTNO-UHFFFAOYSA-N 434.537 2.956 0 40 IFAB O=S(=O)(c1cccc2nsnc12)N1CCN(CCOc2ccccc2Cl)CC1 19077545 NVXATVITEUBCES-UHFFFAOYSA-N 438.962 2.730 0 40 IFAB COc1cc(CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)cc(OC)c1OC 19589775 RIPZNEHPYDOXJC-RCZVLFRGSA-N 443.588 2.787 0 40 IFAB CCn1cc(S(=O)(=O)N2CCC(c3cc(-c4cncnc4)cc(C)n3)CC2)c(C)n1 19692096 VKUFVGUSMNERFG-UHFFFAOYSA-N 426.546 2.940 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 19694608 HKQXRABEYFAGGN-GOSISDBHSA-N 444.536 2.998 0 40 IFAB Cc1nnsc1C(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19698560 VWLUXLLSXXHIGR-UHFFFAOYSA-N 436.541 2.739 0 40 IFAB CN(Cc1ccc2ncccc2c1)C(=O)Cn1cc(C(=O)NCc2ccccc2)ccc1=O 19751306 JDWKLQHWCZDISN-UHFFFAOYSA-N 440.503 2.985 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(CC(=O)N3CCCC3)CC2)cc1 19759127 JTKFQBMAPWIWIO-UHFFFAOYSA-N 439.560 2.558 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC 19930782 GYWRIMIFXFUVER-OAHLLOKOSA-N 432.542 2.955 0 40 IFAB COc1cc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)ccc1OC(C)C 22373025 JRMOELRVHMYZBN-UHFFFAOYSA-N 442.484 2.843 0 40 IFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCCOc1ccc(OC)cc1 25515799 FEUCZGRALPKWTG-UHFFFAOYSA-N 447.484 2.511 0 40 IFAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 32721117 LGUXAUXGGFQYGZ-QFIPXVFZSA-N 439.556 2.502 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3cc(Cl)ccc3c2=O)NC(=O)N[C@H]1c1ccccc1 32841193 WMQNSOJKZAWEHE-IBGZPJMESA-N 438.871 2.921 0 40 IFAB Cc1ccn2c(=O)cc(COC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2c1 37132969 TUASWPSDCPQFNZ-UHFFFAOYSA-N 432.885 2.706 0 40 IFAB NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 38754888 QKRGNMQVPDUTIS-UHFFFAOYSA-N 435.933 2.619 0 40 IFAB C[C@@H]1CN(C2CCN(C(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)C[C@@H](C)O1 40135641 WHQIQMJLRWKJNF-NXYOSRLFSA-N 431.621 2.809 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCN(Cc3ccccn3)CC2)sc2c1CCCC2 45606352 JSUFXIBXTKCBAD-UHFFFAOYSA-N 428.558 2.565 0 40 IFAB CCOC(=O)c1csc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)n1 62001696 PCAFVQBAINEKGS-UHFFFAOYSA-N 432.454 2.933 0 40 IFAB biogenic CC1(C)NC(=O)N(CCOC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)C1=O 64156900 UEZCFPVOLIKTTO-UHFFFAOYSA-N 429.300 2.915 0 40 IFAB C[C@H](NC(=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1ccc2c(c1)OCCO2 71835129 TWIMERKDCUROMU-RYGJVYDSSA-N 447.491 2.909 0 40 IFAB Cc1cccn2cc(COc3ccccc3C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc12 72236014 NHESCJFQYXMXFI-QFIPXVFZSA-N 448.523 2.685 0 40 IFAB CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 72337887 JHSCHRZCALCHAG-VNZMSGEBSA-N 428.577 2.573 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 72372285 VLCIXBCLZJWNMD-UHFFFAOYSA-N 446.555 2.853 0 40 IFAB Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 78964293 VLMBNUUGKQNDON-UHFFFAOYSA-N 444.963 2.606 0 40 IFAB Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1 84331588 IBPYUSMTJVRHOF-NHCUHLMSSA-N 434.496 2.627 0 40 IFAB CCN1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2 96144973 OWOHAOIVXQKIHD-UHFFFAOYSA-N 434.544 2.759 0 40 IFAB O=C(NCc1ccccn1)[C@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccccc3)CC2)O1 96243861 ZPPBXAMRSCEVNB-HXUWFJFHSA-N 446.511 2.517 0 40 IFAB COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)N2CCCN32)c1 100170857 NEQYFFVJHRIPRS-QYZOEREBSA-N 442.313 2.993 0 40 IFAB CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C(C)C)CC4)C1 100234511 UHRJJINEMXFVHU-CVEARBPZSA-N 427.549 2.728 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 100268192 YNYNFYUQBFGBCL-TUFLPTIASA-N 426.469 2.902 0 40 IFAB Cc1cccc(OCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 223640028 LPFIFWMYVZQICV-UHFFFAOYSA-N 441.347 2.719 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225010589 QGDGWPBOCSRTBE-CQSZACIVSA-N 439.484 2.595 0 40 IFAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCCn1ccnc1 408615675 CARFGAZFLMKHRO-UHFFFAOYSA-N 432.933 2.938 0 40 IFAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1OC 409107343 OWZMNCWJUXZDJW-CXUHLZMHSA-N 425.441 2.552 0 40 IFAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OCC)c(Cl)c2)C1=O 409208958 AZPYLIJMKCFEHV-DHDCSXOGSA-N 440.905 2.844 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)N[C@@H]1CCO[C@]2(CCOC2)C1 540015613 DPGKSADQQRKOJI-OTNCWRBYSA-N 437.540 2.551 0 40 IFAB Cc1c(NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)nnn1Cc1ccccc1F 554994067 JSBRIBMVVGSPFL-UHFFFAOYSA-N 435.525 2.739 0 40 IFAB Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccc(F)cc4)CC3)C2)c1 585287876 UGSKBENCGRUGSK-VWLOTQADSA-N 444.547 2.608 0 40 IFAB C[C@H]1Oc2ccccc2CCCCC2(CCN(C(=O)CN3CCCC3=O)CC2)CNC1=O 643561683 AQJUQOIXRGDDNN-LJQANCHMSA-N 441.572 2.528 0 40 IFAB COc1c2c(c(Br)c3c1[C@H](CC(=O)NCc1cccnc1)N(C)CC3)OCO2 1547138666 PFPOKRJTDCFEHG-AWEZNQCLSA-N 448.317 2.817 0 40 IFAB biogenic O=C1CN2CCN(C(=O)C3CCOCC3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594790 XXSZLGYJWWKOIQ-NRFANRHFSA-N 435.524 2.624 0 40 IFAB CC(=O)N1CC[C@H]2CC[C@@H](CN(Cc3cncs3)Cc3ccccc31)N2S(C)(=O)=O 2037949614 CSNAHGCPNLMDCV-MOPGFXCFSA-N 448.614 2.695 0 40 IFAB CCOc1c(Br)cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc1OC 1459560 GHWXGIMICMXCPZ-UHFFFAOYSA-N 440.290 2.999 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C[C@@H](C)O1 2456915 QFALVAPNWLUXLE-CHWSQXEVSA-N 448.526 2.848 0 40 IFAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1 3559858 CLZDCLVBHDUVTB-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2c1=O 8592112 ZDVSPAXLRKCXOH-UHFFFAOYSA-N 438.503 2.982 0 40 IFAB C[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)C(=O)NC1CCCC1 8720353 OMRJVGLXHFFXFW-CQSZACIVSA-N 433.530 2.772 0 40 IFAB COc1ccc(CN2C(=O)[C@@]3(SC(NC(C)=O)=NN3C(C)=O)c3cc(C)ccc32)cc1 8843700 UZVVHZJQBVHWMY-QFIPXVFZSA-N 438.509 2.706 0 40 IFAB COC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)sc(C)c1C 8889207 NDFAWBDPQSRVPZ-OAQYLSRUSA-N 445.497 2.566 0 40 IFAB O=C(c1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9337831 AHRUFVSYRRAZFJ-UHFFFAOYSA-N 427.295 2.735 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCCc1ccccc1 9439148 YPICSWOJBOOXAS-UHFFFAOYSA-N 444.553 2.767 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)nc2ccccc12 9585151 GJDJHDXTXHVIRB-UHFFFAOYSA-N 441.509 2.825 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1 9835874 SNRIGVKPWHHTOH-SJORKVTESA-N 448.266 2.934 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c1 10186728 YFFKMDSLUQTSEB-UHFFFAOYSA-N 449.536 2.865 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3ccccc3c2)C1=O 12681544 QOGVWJXBUAJSRJ-VWLOTQADSA-N 444.491 2.544 0 40 IFAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H](NC(N)=O)c1ccccc1 12782529 IXABMIURZOTHOH-INIZCTEOSA-N 427.892 2.725 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)OCC(=O)c2c[nH]c3ccccc23)n1N 12929125 YLBWVVMGGUDCMQ-UHFFFAOYSA-N 437.481 2.667 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1C 13060275 GNAYMDZWPMQGAO-UHFFFAOYSA-N 426.494 2.557 0 40 IFAB O=C(NCC(=O)N1CCSc2ccccc21)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13236131 GIVUFHKTOXHNFL-KRWDZBQOSA-N 438.509 2.602 0 40 IFAB CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CNC(=O)c1cccs1 13506359 QEQSXSIFQXOIMY-UHFFFAOYSA-N 429.542 2.969 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3F)n2N)c1 15278735 RLSYUOHAFFCEIL-LBPRGKRZSA-N 447.492 2.847 0 40 IFAB CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)[C@@H](c2ccccc2)C1 18030310 TUPXLMWYCKYIEY-OAQYLSRUSA-N 445.560 2.742 0 40 IFAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)s2)c2ccccc2O1 18940854 HGPCXWSIMUPCKK-ZDUSSCGKSA-N 445.360 2.993 0 40 IFAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)c(=O)n1 19694202 AGSRGLXUCVMVML-FQEVSTJZSA-N 446.555 2.789 0 40 IFAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCCN(S(C)(=O)=O)C4)nc32)c1 19739439 FVZIBDXGOLPXHJ-IBGZPJMESA-N 442.585 2.754 0 40 IFAB C[C@]1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCS(=O)(=O)C1 22548084 SPTCMLNDFLVNJI-INIZCTEOSA-N 439.887 2.664 0 40 IFAB COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3cc(C)n(C)n3)sc2c1 22768204 YXTDLOQUUSTGKJ-UHFFFAOYSA-N 429.546 2.716 0 40 IFAB Fc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928906 XTFUKGXPAQVARO-DHIUTWEWSA-N 436.535 2.898 0 40 IFAB COc1ccc(CN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)C2CC2)cc1 23925661 DYMJSJDWVQNSQZ-UHFFFAOYSA-N 439.331 2.910 0 40 IFAB COC(=O)C1(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CCCCC1 25176962 JHGJZTLEBBHVCK-UHFFFAOYSA-N 436.306 2.541 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(C)ccc2OC)cc1C 28209994 NTHOSLTUWGYRQD-KRWDZBQOSA-N 432.498 2.639 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCN3CCN(Cc4ccccc4)CC3)C2)cc1 32064968 OTEBQQULTMUHSY-RUZDIDTESA-N 448.611 2.781 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n(C)c1 32882886 SEIIPYWGZBTUFQ-MRXNPFEDSA-N 443.573 2.952 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 32931863 PISHXLOLDXGJTR-QFIPXVFZSA-N 427.464 2.678 0 40 IFAB COc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1OC 33026138 ORNOEOQAMGZZMP-UHFFFAOYSA-N 435.480 2.684 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1nc(-c2cccnc2)cs1 38531216 GNSJTNPQOWSZCQ-OAHLLOKOSA-N 431.543 2.559 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)cc1 49545703 SAKBWZWVSIXECP-UHFFFAOYSA-N 433.493 3.000 0 40 IFAB O=C(NCCn1nc([C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)c2cccnc21)C1CC1 72344705 LRFBNPRTESFICY-RBUKOAKNSA-N 439.560 2.623 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4ccccn4)C3)nc2C)c1 72351978 YYOAHIPKYSXXKQ-LJQANCHMSA-N 445.523 2.677 0 40 IFAB O=c1cc([C@@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccncc2)[nH]1 72392978 IWYLANQLRUGFNC-HXUWFJFHSA-N 431.544 2.992 0 40 IFAB CC(C)CC(=O)NCCC(=O)OCCC(C)CCOC(=O)CCNC(=O)CC(C)C 84456652 RKQOQHBNDYXVSI-UHFFFAOYSA-N 428.570 2.594 0 40 IFAB O=S(=O)(c1ccc(N2CCC[C@H](n3nccc3C(F)(F)F)C2)nc1)N1CCCC1 95994812 STAMVFWKBBDRGN-AWEZNQCLSA-N 429.468 2.923 0 40 IFAB O=C(Cc1ccccc1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1cccnc1 96143123 UTCWVSCRCAVFLR-DEOSSOPVSA-N 433.533 2.956 0 40 IFAB Cc1cc(C(=O)N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC2CC2)C3)no1 96145198 PJPVBOLOHCKBNX-UHFFFAOYSA-N 445.541 2.699 0 40 IFAB CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CC1)CC3 100234822 UTUBNYYWMCJDDX-IFXJQAMLSA-N 425.533 2.829 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 107450048 CUGWRTDSJIMDHZ-GCXIYDBASA-N 448.585 2.670 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)n1 113481311 NHNSVEGLUJJAHX-STQMWFEESA-N 434.974 2.973 0 40 IFAB CN1CCN(c2ccc(NC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 113964753 CKJBFZSKUZKTLT-UHFFFAOYSA-N 448.564 2.762 0 40 IFAB CCCOc1ccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 219150876 YDWZDQFGSPPKDY-UHFFFAOYSA-N 444.513 2.608 0 40 IFAB CCN(c1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1)S(=O)(=O)CC 222395953 YHGNRSJMKCMSAE-UHFFFAOYSA-N 439.559 2.511 0 40 IFAB CN(c1cccc(C(=O)N2CCC(C(N)=O)CC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224271282 TXIXBKCJJUPXSN-UHFFFAOYSA-N 435.933 2.503 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 225011106 FIOIYRBVTGHCLJ-LJQANCHMSA-N 435.521 2.846 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)COc3ccccc3)s2)cc1 225857509 KQOJSALJUVLYSG-CQSZACIVSA-N 432.527 2.845 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CCC[C@@](C(=O)N(C)C)(c2ccccn2)C1 257232947 GNBSSAALJYEEQK-DEOSSOPVSA-N 449.511 2.614 0 40 IFAB Cc1ccc2nccc(N3CCC[C@](O)(CN(C)C(=O)CC(C)(C)CC(=O)O)C3)c2n1 257283517 OYRFYSOKLDPMET-QHCPKHFHSA-N 428.533 2.619 0 40 IFAB Cc1nc2ccc(NC(=O)[C@H]3CN(C(=O)c4ccn(C(C)C)n4)CCN3C)cc2s1 257307801 TUELZAIQEHDJJC-GOSISDBHSA-N 426.546 2.777 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)cc1 260592238 RDOLQESIHGLLRK-IAGOWNOFSA-N 434.558 2.996 0 40 IFAB Cc1nc2c(n1CC1CC1)CN(Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1 306128114 GQGXQNRDWSKZPC-UHFFFAOYSA-N 432.576 2.679 0 40 IFAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408679775 LGYDBJQYWBNTNP-ZDUSSCGKSA-N 439.484 2.898 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408709675 FENADHLDDZWZKY-YJBOKZPZSA-N 437.496 2.979 0 40 IFAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCN(c2ccccc2)CC1 507604601 USMHMZHCDMCFDH-UHFFFAOYSA-N 430.574 2.599 0 40 IFAB NC(=O)Cc1ccc(-c2noc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 547182605 XOSKFFPLDWHVKH-UHFFFAOYSA-N 440.525 2.530 0 40 IFAB Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 585147301 QTUFOCMOFGCKNT-LJQANCHMSA-N 444.557 2.562 0 40 IFAB CC(=O)N[C@@]12CCN(S(=O)(=O)Cc3cccc(Cl)c3)C[C@@H]1[C@@H](c1ccccc1)NC2 585260970 BXUCGHXXZJYCOH-YPAWHYETSA-N 447.988 2.711 0 40 IFAB Cc1ccc(S(=O)(=O)C2=NNc3c(-c4ccc(Cl)cc4)cnn3[C@@]23C=CNN3)cc1 1548338302 DPIUUFCNZUQXLW-FQEVSTJZSA-N 440.916 2.999 0 40 IFAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3ccccc3C)CC1)CC(=O)N2CC1CC1 1772596493 MGRDHUYTDSLOMV-UHFFFAOYSA-N 428.558 2.827 0 40 IFAB Cc1nc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)cc(C(F)(F)F)n1 2087023459 HPUWUTCYLIBFNW-UHFFFAOYSA-N 430.434 2.735 0 40 IFAB CCOc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1 880215 PJQNYIMXPJMYJF-UHFFFAOYSA-N 425.510 2.992 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1 2659927 QOBMBJQFYPDGRM-OAHLLOKOSA-N 446.525 2.557 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccco3)c2)cc1 4001724 JBDSUQUPGGSFHW-UHFFFAOYSA-N 428.466 2.862 0 40 IFAB CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 4115441 IUCHXVAMUWGYHD-YKSBVNFPSA-N 429.561 2.652 0 40 IFAB COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1OC 4176705 KPOZQXKCVAHTFO-LJQANCHMSA-N 437.525 2.983 0 40 IFAB CC(C)NC(=O)CNC(=O)COC(=O)c1ccccc1NCCc1ccc(Cl)cc1 8707936 CESIHGHQEFESJB-UHFFFAOYSA-N 431.920 2.792 0 40 IFAB COc1ccc(-c2nn(CC(=O)NC3CCCC3)c(=O)c3nc(C)sc23)cc1OC 8955652 KNXCCETYJSVOBO-UHFFFAOYSA-N 428.514 2.904 0 40 IFAB Cn1c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 9115690 FCBUQDPLLFTWSY-SFHVURJKSA-N 432.933 2.696 0 40 IFAB CCn1c(CSc2nnc3nc(C)cc(C)n23)nc2cc(S(=O)(=O)N(C)C)ccc21 9128570 BQRJTRYOIQIRAW-UHFFFAOYSA-N 445.574 2.653 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1=O 9413147 UHTSLHQDLSVROY-FATZIPQQSA-N 441.459 2.631 0 40 IFAB O=C(c1cc(C2CC2)on1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9502683 UVLHTFCDOYFCDH-UHFFFAOYSA-N 429.420 2.718 0 40 IFAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(C)c1 9508531 AFYOIWYGZYYSNV-UHFFFAOYSA-N 431.543 2.652 0 40 IFAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(C(=O)c2ccco2)CC1 9562193 PVXQHHMPVAJJDW-UHFFFAOYSA-N 445.522 2.740 0 40 IFAB Cc1ccc(CN(C)C(=O)Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)o1 9762689 OOCZLXMJKZHZIY-UHFFFAOYSA-N 442.541 2.811 0 40 IFAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1Cc1ccco1 9790338 LVUPGZYOBIQNOR-UHFFFAOYSA-N 443.525 2.575 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851720 INMFSYFOUUAVJJ-UHFFFAOYSA-N 433.903 2.885 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3n2)NC(=O)N[C@H]1c1ccccc1 9865211 SSZLIYRZVZBFMR-FQEVSTJZSA-N 432.436 2.658 0 40 IFAB Cc1ccc2nc(NC(=O)CSc3c(C)cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 10216374 QYTZCDDIFOEGFK-UHFFFAOYSA-N 441.538 2.590 0 40 IFAB CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)CCn1nnc(-c2ccccc2)n1 10496368 CXJWDKWFWUDHID-UHFFFAOYSA-N 425.436 2.821 0 40 IFAB O=C(CSc1nncn1CCc1cccs1)NC(=O)Nc1ccc2c(c1)OCCO2 11106356 LRXCHXQICDPITC-UHFFFAOYSA-N 445.526 2.794 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCCC1=CCCCC1 11904696 IKECGUWXOYUFRB-UHFFFAOYSA-N 426.560 2.539 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 12047432 ICAKMCBISJVBEV-LJQANCHMSA-N 430.526 2.580 0 40 IFAB Cc1nc(-c2ccc(CCNC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)cs1 12396957 OEYVEXHNLXPITP-UHFFFAOYSA-N 429.523 2.997 0 40 IFAB CCCCN(C(=O)CN[C@H](C)c1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13039943 SEOPAXHXXMAGCR-OAHLLOKOSA-N 449.983 2.912 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1Cl 13042232 JCUCNTWZQGHOIM-CQSZACIVSA-N 427.979 2.585 0 40 IFAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 13120706 HWXGFCHNSFKRNC-JOCHJYFZSA-N 443.459 2.605 0 40 IFAB COc1ccc(OC)c(NC(=O)C[C@@]2(NC(C)=O)C(=O)N(C(C)C)c3ccccc32)c1 13629474 ZANDFECUXZIWHO-QHCPKHFHSA-N 425.485 2.819 0 40 IFAB Cn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nc2sc3c(c2c1=O)CCCC3 13722739 XUGBDDRIXKRGLW-UHFFFAOYSA-N 426.517 2.975 0 40 IFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 14197869 JYQZFQMWDNECMO-DEOSSOPVSA-N 434.496 2.693 0 40 IFAB CCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccc(Br)cc1 14607698 SMEUEDDCARPUDA-UHFFFAOYSA-N 430.306 2.897 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 15940516 RMYCWEMAERZQCK-LLVKDONJSA-N 435.527 2.631 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(NC3CC3)ncc2-c2cc(C)no2)cc1 19123558 IYCBXFVIWBHIJW-UHFFFAOYSA-N 429.502 2.844 0 40 IFAB CNC(=O)c1ccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 19314764 WQQAMRLLVDKJCR-UHFFFAOYSA-N 434.481 2.612 0 40 IFAB COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 19553460 DDCCHXQTCXVBKY-XZOQPEGZSA-N 434.544 2.772 0 40 IFAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 19710849 XEPBQTDLOULUML-HXUWFJFHSA-N 441.507 2.695 0 40 IFAB Cc1cc(=O)n(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCN3)n2)c2ccccc12 19760345 WIOLDCJPUPDLBG-HXUWFJFHSA-N 448.571 2.639 0 40 IFAB COC(=O)[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O)C(C)C 20733505 NHZLCYVMDNFCPW-NRFANRHFSA-N 447.491 2.934 0 40 IFAB O=C(CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O)NCCCc1ccccc1 20996632 HUAXRHFEGKCLRO-UHFFFAOYSA-N 435.977 2.842 0 40 IFAB CN(CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 22334510 UXERZAVBWICIEP-UHFFFAOYSA-N 429.464 2.724 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1 22562574 NIZAZXZDGCHQDN-UHFFFAOYSA-N 435.933 2.754 0 40 IFAB COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)N2CCOCC2)cc1 23818472 CZXTWSJAXQSLDH-CTNGQTDRSA-N 441.553 2.688 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cnn(-c2ccccc2)c1 25587791 GHJVECQYBQLNFJ-VAWYXSNFSA-N 429.480 2.797 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 28247975 CFUZSWUJLYBYNG-UHFFFAOYSA-N 428.513 2.518 0 40 IFAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 32721118 LGUXAUXGGFQYGZ-JOCHJYFZSA-N 439.556 2.502 0 40 IFAB CCOc1ccccc1N1CCN(C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 32803078 OKMBIHPIQFZATI-UHFFFAOYSA-N 428.508 2.794 0 40 IFAB COc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3F)C2=O)cc(OC)c1OC 32828826 CNHJDUYTWHBSHP-QFIPXVFZSA-N 445.447 2.566 0 40 IFAB COc1ccc(C(=O)NCCc2csc(C)n2)cc1S(=O)(=O)N1CCCC[C@H]1C 32905522 BUJPLFLADYEALA-CQSZACIVSA-N 437.587 2.996 0 40 IFAB O=C(O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc21 33609187 CDIABZLRLQLBSN-YVLHZVERSA-N 427.482 2.775 0 40 IFAB O=C1N[C@@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 35092951 DDDPLLOHRYKKSO-RLFYNMQTSA-N 426.322 2.658 0 40 IFAB C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSCC(=O)O 35363837 BISACJKFFWCVNW-WIAGWGTASA-N 436.570 2.607 0 40 IFAB biogenic C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 35400027 ZDOMZTAEDOPKEF-OAHLLOKOSA-N 430.505 2.520 0 40 IFAB O=C(CSc1nnc(N2CCN(C(=O)c3cccs3)CC2)s1)NCc1ccco1 38488235 AKHJPLXNTJQZMD-UHFFFAOYSA-N 449.583 2.564 0 40 IFAB O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1ccccc1 38489231 MWIQSXRDDSLUPX-UHFFFAOYSA-N 437.481 2.588 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)cc1 40146718 RCTAVYHVAHYGLK-IBGZPJMESA-N 431.439 2.723 0 40 IFAB COc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1OC 49399222 YTIHWMCQYFAAMQ-UHFFFAOYSA-N 439.859 2.867 0 40 IFAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)c1 58064363 DIIJVSROLLYAQD-IBGZPJMESA-N 432.542 2.906 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)CCCC2)cc1C 58314642 MHGCOFCQVWRADG-JOCHJYFZSA-N 449.661 2.778 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)cc1 67323170 WIFBNVXNELCXGC-UHFFFAOYSA-N 437.456 2.663 0 40 IFAB COc1ccccc1Cc1cccc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72350351 BDBCMKJUYVXISL-GOSISDBHSA-N 426.542 2.983 0 40 IFAB CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)NCC3CCCCC3)CC2)O1 96144747 NHFGSJQPSQXAKB-IBGZPJMESA-N 431.581 2.635 0 40 IFAB Cc1cc(C)cc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)c1 96243765 JHEVDUICCZUGAL-FCHUYYIVSA-N 438.572 2.685 0 40 IFAB CC(C)COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102085664 VFKSJBKTHFNPEF-NJZINYGVSA-N 436.508 2.880 0 40 IFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CC[C@@H](OC(C)=O)C[C@@]3(O)CC[C@@]21O[C@@H]4OC 119168801 NAWSESIXRIDTIN-GQTFRJSKSA-N 436.545 2.970 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 222612454 RVJMPWINSZCZKK-SFHVURJKSA-N 446.569 2.714 0 40 IFAB CCOc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1 224702864 ACSHKMLOHKPORD-UHFFFAOYSA-N 434.558 2.965 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCOCc2ccccc2)s1 225147074 BRCAQRGYLMTGRL-UHFFFAOYSA-N 432.527 2.594 0 40 IFAB O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257284232 PBUZFELPICKVLA-IBGZPJMESA-N 444.413 2.988 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1OC 260793313 IHOFSXZAHBUQNI-CQSZACIVSA-N 430.592 2.650 0 40 IFAB COCCN1CC2(CCN(C(=O)c3ccoc3C)CC2)COc2ccccc2S1(=O)=O 306135163 OJQDGDLINYNJQH-UHFFFAOYSA-N 448.541 2.540 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 408625134 IELNVAPHAOMNEU-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)CNC(=O)c1cccs1 501183493 WHMDYQNZSNGOJA-IBGZPJMESA-N 438.553 2.940 0 40 IFAB Cc1cc(N2CCN(C(=O)[C@H]3CCS(=O)(=O)c4ccccc43)CC2)nc(C(C)C)n1 560121064 OUYSDWSMJKKXPL-SFHVURJKSA-N 428.558 2.518 0 40 IFAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1CC[C@@]2(O)CCCC[C@H]2C1 604419647 OFFFOCNZAWTYHK-VPWGAPMNSA-N 445.519 2.955 0 40 IFAB biogenic O=C(c1cc(O)nc2ccc(F)cc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 606160195 ZQUGPESAAOCQNC-UHFFFAOYSA-N 449.891 2.880 0 40 IFAB Cc1ncnc(C(=O)NC[C@@H]2CC[C@@H]3CN(C(=O)NC(C)C)c4ccccc4CN23)c1C 1565555773 HEBANERNXRKYOV-VQTJNVASSA-N 436.560 2.794 0 40 IFAB O=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 3245653 HHORKEKHCPIHGL-UHFFFAOYSA-N 448.394 2.695 0 40 IFAB O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O 3447463 FDQMSWBRSJYYJL-UHFFFAOYSA-N 432.531 2.660 0 40 IFAB CCOCCCn1c(C)cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 6195378 NMUYHSIYILVKLA-UHFFFAOYSA-N 447.898 2.725 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 8643957 RQONXXPOOPQRLI-DEOSSOPVSA-N 436.512 2.883 0 40 IFAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 8756224 ZYAQOTBMQRJDBV-OAQYLSRUSA-N 444.553 2.751 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O 8902069 CCSWWMVEYGWXKI-FATZIPQQSA-N 438.459 2.747 0 40 IFAB Cc1cccc2nc(C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)cn12 8965472 MAMPQZVSPBEGFZ-UHFFFAOYSA-N 448.914 2.804 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)c1 9054016 ZCJCYUGUQKTSJM-UHFFFAOYSA-N 425.304 2.911 0 40 IFAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1 9090203 LRWVHTYSXNTCON-KEYYUXOJSA-N 430.404 2.869 0 40 IFAB CC[C@@H]1C(c2ccccc2)=NN(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n21 9272126 PHAIFNYMNBHKGG-GOSISDBHSA-N 428.496 2.809 0 40 IFAB COc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)cc1 9321260 HGGMIEGUHUAJLR-UHFFFAOYSA-N 434.452 2.828 0 40 IFAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9466579 QDCJPQSRZIVZLV-CQSZACIVSA-N 436.946 2.924 0 40 IFAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 9594877 QJGLCVBYTDMXAH-QFIPXVFZSA-N 437.456 2.535 0 40 IFAB O=S(=O)(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9596563 QADXVKDTJNXELP-UHFFFAOYSA-N 434.514 2.674 0 40 IFAB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 9699622 RKVXDJYKAGNZFW-OAHLLOKOSA-N 426.897 2.970 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2)c(C)c1 9806415 ALLYPMBJJNHNSS-IBGZPJMESA-N 429.542 2.520 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1OC 10008911 DXJIDISGRNUTOB-UHFFFAOYSA-N 433.530 2.632 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccccc2C)Oc2ccccc21 10009161 FVMHACLKPMJWGL-HXUWFJFHSA-N 434.583 2.962 0 40 IFAB COc1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 10289162 NIDWVCAWXKRJCV-UHFFFAOYSA-N 432.542 2.696 0 40 IFAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cc5ccccc5oc4=O)CC3)C2=O)cc1 11694074 HSSAURRAPCYFQR-UHFFFAOYSA-N 445.475 2.828 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C1)N2 12181670 UCRLGMUCLKRFLE-WCXIOVBPSA-N 441.498 2.975 0 40 IFAB CN1CCN(c2ccc(NC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)CC1 12194573 MBQJPISOKYAYKY-UHFFFAOYSA-N 428.558 2.621 0 40 IFAB C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12296483 JQASNYDWCUYKKR-QYOWGSBDSA-N 442.556 2.887 0 40 IFAB CC1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 12526266 CKIASZJHZLEZHI-UHFFFAOYSA-N 428.514 2.966 0 40 IFAB O=C(c1cccc(OC(F)F)c1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 12744759 MWVVBWYRCJKGPB-UHFFFAOYSA-N 427.407 2.728 0 40 IFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 12942385 GNXNMLTZZNGSJQ-UHFFFAOYSA-N 428.514 2.525 0 40 IFAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 12998784 GCYWUURXWVPONC-UHFFFAOYSA-N 430.404 2.736 0 40 IFAB COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)C 13114430 OIWVVRLPPVFQIJ-NRFANRHFSA-N 445.585 2.903 0 40 IFAB O=C(Cc1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 15316245 CMYOISRXJJHFCT-UHFFFAOYSA-N 435.571 2.550 0 40 IFAB Cc1c(NC(=O)[C@@H](C)SCC(=O)Nc2ccccc2O)c(=O)n(-c2ccccc2)n1C 15565487 XJUBIDUSMZQRQI-OAHLLOKOSA-N 440.525 2.889 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1)C2=O 16140039 HEEYMOMHYNWCQG-BISSLNBESA-N 429.517 2.686 0 40 IFAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OCC 16740358 FGKOWTRGKLMJCP-UHFFFAOYSA-N 447.557 2.672 0 40 IFAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)CN3CCOCC3)CC2)n1 19695116 SMQXEUCVUYCNMI-UHFFFAOYSA-N 443.979 2.901 0 40 IFAB COCCN1Cc2cccc(C(=O)Nc3cccc([C@H]4CCc5nncn5C4)c3)c2C1=O 19699069 PGAWEPBTEKWADB-KRWDZBQOSA-N 431.496 2.863 0 40 IFAB CCOC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccccc1 20283418 JVCCLUXLGPXRNX-JOCHJYFZSA-N 426.561 2.808 0 40 IFAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)c(C)n1CCc1ccccc1 22717321 VVFGFJVJYHYISR-UHFFFAOYSA-N 441.553 2.643 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)COc1ccccc1F)CSC2)NCc1ccco1 23139309 IHCRKQGSSXJOTK-UHFFFAOYSA-N 430.461 2.696 0 40 IFAB CCCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O 27021441 ZMDPRQGTJNRBGN-RCCKNPSSSA-N 449.532 2.837 0 40 IFAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 29329398 MZGDRJPDWYBOPI-UHFFFAOYSA-N 440.447 2.909 0 40 IFAB COC(=O)c1occc1CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 30593065 JORKEIIEUYQRKX-UHFFFAOYSA-N 432.420 2.592 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 32910893 BPLGYGJBUYOAPA-ZDUSSCGKSA-N 426.425 2.541 0 40 IFAB CCCCn1nnc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)n1 33858911 LKAZBRDYYRGYAY-UHFFFAOYSA-N 427.328 2.680 0 40 IFAB COC(=O)c1cccc2c1CCCN2Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1 58179583 IWYQFXJIGSJNOM-UHFFFAOYSA-N 427.482 2.819 0 40 IFAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 60839048 VYDUGSPDCZPRLV-UHFFFAOYSA-N 439.493 2.907 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100419 MDDONVRMVBSICW-UHFFFAOYSA-N 431.334 2.541 0 40 IFAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)NC3CCCCCC3)N=C2O)cc1OC 95473773 NRPXZDNQZPPZPM-GOSISDBHSA-N 431.533 2.990 0 40 IFAB CC(C)c1sc(NC(=O)CCC(=O)Nc2ccc(Cn3cncn3)cc2)nc1C(=O)O 95476776 KUNBNUKVIMNGIR-UHFFFAOYSA-N 442.501 2.962 0 40 IFAB CCOCCCNS(=O)(=O)c1ccc(NCCc2ccc(OC)cc2)c(C(=O)O)c1 217642118 SULCMUOEDNAZHR-UHFFFAOYSA-N 436.530 2.753 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222980937 YTDYDCSIIKJHNY-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB O=C(NCCOc1ccccc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224384546 RXIYIUCQWPODIQ-OAQYLSRUSA-N 430.570 2.856 0 40 IFAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)CC2)c1C 224390930 HYYQKAOASKNYGX-IBGZPJMESA-N 445.585 2.815 0 40 IFAB CCSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)s1 224417025 GHYHHQZBXNBJMA-UHFFFAOYSA-N 442.573 2.863 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225060330 FKGHHCUBKMFXEV-ZDUSSCGKSA-N 449.554 2.710 0 40 IFAB COC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225115233 HHOQMLMKPFHDMA-UHFFFAOYSA-N 445.852 2.643 0 40 IFAB CN1CCN(Cc2nc(C3(O)CCN(C(=O)Nc4ccc(F)cc4)CC3)cs2)CC1 225472355 RYHSWUCHUNCJGU-UHFFFAOYSA-N 433.553 2.545 0 40 IFAB biogenic,in-vitro O=C(c1cncc(Br)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743202 QLMQIHCUHJBSTA-UHFFFAOYSA-N 441.333 2.728 0 40 IFAB CC(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 408584498 QNXACHYHROMPBF-KRWDZBQOSA-N 425.348 2.863 0 40 IFAB CC(=O)c1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 408621377 ROLIZBJSLYYZCH-UHFFFAOYSA-N 445.541 2.822 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)c(C)cc1OC 409215180 XXZWABFMJQOOFP-PACYTGELSA-N 434.514 2.734 0 40 IFAB COc1cc([C@H](CC(=O)NCc2c(C)n[nH]c2C)c2oc(C)cc(=O)c2O)ccc1O 524731856 MRPSRXXOWHFRLY-HNNXBMFYSA-N 427.457 2.546 0 40 IFAB biogenic Cc1cnn(Cc2cc(C(=O)NCc3cccc(NC(=O)NCc4ccncc4)c3)no2)c1 534387714 ZURMTEZNIJTTIN-UHFFFAOYSA-N 445.483 2.875 0 40 IFAB Cc1cncc(C(=O)N2CCCCCc3cc(Cl)ccc3OC[C@@H](O)[C@@H](O)CC2)n1 1615158859 GPIGEHUXQCYIGV-VQTJNVASSA-N 433.936 2.798 0 40 IFAB O=S(=O)(C1CC1)N1CCCN(c2ncc(C(F)(F)F)cc2Br)CC1 1888876468 VUQXVAQNGFFGMG-UHFFFAOYSA-N 428.274 2.867 0 40 IFAB CC(C)n1nc(C(=O)N2C[C@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)ccc1=O 1888918235 FDEOSPBXGSRLKQ-ROUUACIJSA-N 434.544 2.963 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc(F)cc1 3430659 YWQQXBDHKKVGDF-UHFFFAOYSA-N 432.429 2.693 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCCC1=CCCCC1)C2=O 7979980 XHWWMNLYZKUNMH-WAIKUNEKSA-N 433.549 2.673 0 40 IFAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C 8694147 PLDAYNFWZVTSDN-AWEZNQCLSA-N 427.288 2.923 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)cc1 9288780 MVKJCGJYRJREOY-KRWDZBQOSA-N 437.496 2.549 0 40 IFAB Cc1cccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1 9519617 PPGNSUDZKBITQE-UHFFFAOYSA-N 439.537 2.985 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1cccc(C(C)=O)c1 9761874 JHYKFWNVHCQVSH-UHFFFAOYSA-N 449.463 2.938 0 40 IFAB COc1ccccc1N1CCN(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 9783180 HJOLHYWIQAKNDT-FQEVSTJZSA-N 437.540 2.952 0 40 IFAB CCOc1ccc(NC(=O)CS(=O)(=O)c2ncc(-c3ccc(OC)cc3)n2C)cc1 9828776 OMLCUJDDUVYMLF-UHFFFAOYSA-N 429.498 2.907 0 40 IFAB CCOc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)cc4Cl)[C@H]3C2=O)cc1 9836015 DUENWBJHNZMTCD-RTBURBONSA-N 441.875 2.979 0 40 IFAB COC(=O)[C@@H]1C(=O)Oc2c(Br)cc(Br)cc2[C@H]1[C@@H]1CCOC1=O 9972324 XOPIUKPSKNRAHB-WHGOUJPWSA-N 448.063 2.567 0 40 IFAB COCCOC(=O)c1c(NC(=O)COc2ccc(F)cc2Cl)sc(C(N)=O)c1C 11028235 CDTQTNFWZBEGHD-UHFFFAOYSA-N 444.868 2.769 0 40 IFAB COCCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696095 UUVKYJWOQKBXMG-QGZVFWFLSA-N 442.541 2.533 0 40 IFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12543376 APGUKXDVZIYCJQ-UHFFFAOYSA-N 442.585 2.784 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)c1C 13038992 RHHARKFGKDBQIR-HNNXBMFYSA-N 442.468 2.596 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 13148685 VQODOCVZTFPRQB-FQEVSTJZSA-N 444.871 2.851 0 40 IFAB COc1ccc(N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 13163918 PUBKDAUKWZAGSV-UHFFFAOYSA-N 448.508 2.743 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 16071172 VBKPRPFWDAHVJC-UHFFFAOYSA-N 440.525 2.600 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3sccc3C(N)=O)cc2)cc1 16689929 PQRGXIAHSFSFFQ-UHFFFAOYSA-N 431.495 2.909 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(Cl)cc12 19132587 WPPCLUMKHCHDJT-AWEZNQCLSA-N 441.933 2.805 0 40 IFAB O=C(C1CC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCc3ccccc3)[nH]c2=O)C1 19370783 ZOCJKJMCQSKVDX-OAQYLSRUSA-N 434.540 2.751 0 40 IFAB COc1cccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 19497300 LHNVYBIZWLCQSN-IAGOWNOFSA-N 440.544 2.616 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 19528423 PRDPJVRRSQMHMA-DVECYGJZSA-N 439.581 2.981 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4ccc(OC)nc4)C3)c2N)cc1 19558681 XQDYHMUHTLVBOU-MRXNPFEDSA-N 435.484 2.602 0 40 IFAB CCOc1ccccc1C(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(C(C)=O)C2)n1 19709710 OQRFQHUXEHBANT-SFHVURJKSA-N 439.560 2.939 0 40 IFAB O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCCN1CCOCC1 19928826 ZZUUFZGULQUYPH-UHFFFAOYSA-N 440.931 2.555 0 40 IFAB COc1ccccc1[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 20015690 XMXYTNIDIQPWEV-CYBMUJFWSA-N 426.922 2.855 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC 20039998 QLEWXHQUZKHACU-MRXNPFEDSA-N 438.571 2.825 0 40 IFAB C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1nnc(-c2cccs2)o1 21628205 MKVILGSJUDMPQC-QWRGUYRKSA-N 425.561 2.757 0 40 IFAB O=C(N[C@@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccccc1)c1ccccc1 22607238 SKAIOGCUQMBYET-QUCCMNQESA-N 443.507 2.643 0 40 IFAB COc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(C(=O)c3ccco3)CC2)cc1 22609490 YEEPXPINVKKCGW-QGZVFWFLSA-N 439.497 2.645 0 40 IFAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NC1CCCCC1 22807535 TXMBPUXNDPFKFF-UHFFFAOYSA-N 439.556 2.785 0 40 IFAB C[C@H](C(=O)N1CCCCC1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22934012 DKYKRGNRCLUNAJ-MRXNPFEDSA-N 426.483 2.663 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccsc2)CC1 23845612 JIDKQQYHDZWKCN-KRWDZBQOSA-N 439.628 2.555 0 40 IFAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1 23873266 RJIIIPGKOPGGCY-UHFFFAOYSA-N 443.551 2.815 0 40 IFAB COc1ccc(CN2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)cc1 23873428 VXCMPHKZTLTFHR-QHCPKHFHSA-N 447.535 2.974 0 40 IFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 24758102 PQGIJOCEBHXMOL-AWEZNQCLSA-N 440.468 2.800 0 40 IFAB NC(=O)N[C@@H](CC(=O)NCc1nnc2ccccn12)c1cccc(Oc2ccccc2)c1 25608606 LXYZOCHJQICTFA-IBGZPJMESA-N 430.468 2.938 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 25984176 RCICOUPVIWHSOA-MRXNPFEDSA-N 441.509 2.738 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 30952158 NGTAXGZQFNPXTA-AWEZNQCLSA-N 429.860 2.833 0 40 IFAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 32736316 YHYWFUCPPFXTFS-HXUWFJFHSA-N 440.931 2.959 0 40 IFAB CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 32780656 AHGZUYAQVCMWOR-VQIMIIECSA-N 434.945 2.847 0 40 IFAB CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc1 32796102 KSDBNYXGUQINCM-AWEZNQCLSA-N 430.302 2.729 0 40 IFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 36047127 HQFJQXMCDAKBOI-SPYBWZPUSA-N 425.520 2.723 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)cc1 36614867 HKDWREWKVYFKMN-UHFFFAOYSA-N 446.451 2.938 0 40 IFAB COCCN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl 58364971 HPZRNOPZUDJKHI-CYBMUJFWSA-N 425.776 2.834 0 40 IFAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)C(=O)Nc1ccc2c(c1)OCO2 70900098 AHVVOAPNKNPKQK-UHFFFAOYSA-N 438.509 2.996 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3OC)c2C)c(OC)c1 71327028 JIRPAKQUEIMSAF-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB COc1ccc(Nc2ccccc2C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 89453727 LLBRGTIFXJLJTP-UHFFFAOYSA-N 426.498 2.542 0 40 IFAB CC(C)Cn1c(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96222521 XCTYGGWFIIAWRR-FQEVSTJZSA-N 447.539 2.882 0 40 IFAB biogenic COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 96345378 RIVLBYGYHMOBIP-RUZDIDTESA-N 441.491 2.816 0 40 IFAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(C(=O)c2cc(C4CC4)on2)C3)c(OCC)n1 100729201 PWKKNLWBZCUPIH-HZPDHXFCSA-N 442.516 2.899 0 40 IFAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1cccc(Cl)c1 102640333 LOQBAPSGARVXSQ-RQGUQYKASA-N 427.884 2.898 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)Cc1ccccc1Cl 223322205 PLSLWJSNFWSRMP-UHFFFAOYSA-N 432.933 2.604 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1 224183960 LMIBYMRPCFQQTJ-UHFFFAOYSA-N 443.554 2.610 0 40 IFAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225275157 BFFMOJWNCYTCAV-RTBURBONSA-N 432.542 2.804 0 40 IFAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 225562169 DAZALSAQBNNGCG-UHFFFAOYSA-N 446.569 2.857 0 40 IFAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2F)s1 225623439 QOSQMSZPQOHPFZ-UHFFFAOYSA-N 432.568 2.874 0 40 IFAB O=C1N(CCC2=CN[C@@H]3C=CC=C[C@@H]23)C(O)=N[C@@]1(Nc1ncc(Cl)cn1)C(F)(F)F 226937056 OYISWBUZQIPFQV-OGHNNQOOSA-N 440.813 2.545 0 40 IFAB O=C(NCCn1nc(-c2cnccn2)cc1C1CC1)c1ccccc1S(=O)(=O)C(F)F 238818225 BZIKMYTVZYGRDY-UHFFFAOYSA-N 447.467 2.644 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1OC 409155276 QIUUFDDXDBQBAV-UHFFFAOYSA-N 439.541 2.896 0 40 IFAB CSCC[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1c(O)nc2ccccc2c1=O 524733332 IGBZGIMGVJZASH-HNNXBMFYSA-N 431.543 2.515 0 40 IFAB O=C(C1=Cc2cc(F)ccc2OC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 535590661 INBMZWCHCNIMFW-UHFFFAOYSA-N 436.892 2.788 0 40 IFAB O[C@@H](CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1)Cn1ccc(C(F)(F)F)n1 2574892 ULXNXRAQDGHOKO-LBPRGKRZSA-N 438.376 2.648 0 40 IFAB Cc1ccc(Cc2nn3c(=O)/c(=C/c4ccccc4Br)sc3nc2=O)cc1 2702812 RLAPVMFBUHGOSJ-BOPFTXTBSA-N 440.322 2.721 0 40 IFAB CC(C)OCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4073191 CPVZKIXNEICQJF-WNSKOXEYSA-N 426.517 2.523 0 40 IFAB biogenic COc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1 6924772 RBVSWOBLSLLPHR-PLUMSZRTSA-N 437.492 2.787 0 40 IFAB Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccc(F)cc3)nn2)c1 8254453 TXXGRCSCHZRUSU-WTOYTKOKSA-N 434.519 2.693 0 40 IFAB biogenic,in-vitro Cc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c3=O)cc1 8849694 MIWGYRILHKZZPH-UHFFFAOYSA-N 445.401 2.523 0 40 IFAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)c1 9210085 ZUORHXUTXLADMW-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)N1CCN(c2ncccn2)CC1 9389572 NONPRMRKVWRDSJ-FQEVSTJZSA-N 425.583 2.896 0 40 IFAB Nc1c(N(Cc2ccccc2)C(=O)Cc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 9516398 NLDSZOPENKXHML-UHFFFAOYSA-N 440.503 2.943 0 40 IFAB O=C(NCCCN1CCCCC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 9519453 XYXVPTJKMVZJGS-UHFFFAOYSA-N 438.572 2.829 0 40 IFAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9712105 HMELTYNRKKKKMN-UHFFFAOYSA-N 434.499 2.845 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3sccc3C(N)=O)c2)cc1 9714877 SJTZRWYAYSMPPO-UHFFFAOYSA-N 431.495 2.909 0 40 IFAB COc1cc(OC)cc(C(=O)N(c2ccc(OC)cc2OC)[C@@H]2C=CS(=O)(=O)C2)c1 9833940 ZOQAEDAZKRZZAL-OAHLLOKOSA-N 433.482 2.679 0 40 IFAB O=C1C[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc2c(c1)OCO2 9906782 DBTAKELPQAOBBR-KRWDZBQOSA-N 447.413 2.888 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)NCCS(=O)(=O)N1CCc2ccccc21 10875992 JDNUGWBEVWFNPS-UHFFFAOYSA-N 429.325 2.881 0 40 IFAB O=C(Nc1nnc([C@H]2CCCO2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10971415 OILVTCDJTDPIGE-LLVKDONJSA-N 446.938 2.675 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116119 KHXYJTVSOSBPSE-GOSISDBHSA-N 438.509 2.851 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 12117270 CNHLSXAQEJPQCA-TXKCWOHGSA-N 444.535 2.752 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)Nc1nccs1 12233430 WYAULMXDSRORSX-GFCCVEGCSA-N 428.474 2.853 0 40 IFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)CC1 12632198 SEXZRKFHIIWNQA-UHFFFAOYSA-N 429.448 2.923 0 40 IFAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ncccn2)CC1 12688740 FWDYSWMSGNKYGU-UHFFFAOYSA-N 425.496 2.746 0 40 IFAB Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)Nc3cc(F)ccc3C)CC2)c1 12752212 REEJSAWXLUSGBK-UHFFFAOYSA-N 426.536 2.657 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2cccc(C)c2)CC1 13084793 JWADYYMNGZFPTO-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB CC(C)C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 13113136 USYYELKQQXPAGF-QHAWAJNXSA-N 427.520 2.840 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c1C 13672061 OFTYNSLSGVEBSB-UHFFFAOYSA-N 432.498 2.779 0 40 IFAB COc1cc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)ccc1O 13728443 ALHQOFJOQVBCSN-AVRDEDQJSA-N 426.494 2.645 0 40 IFAB COc1cc(CCNC(C)=O)c(NC(=O)c2ccc(OC)c(OC)c2OC)cc1OC 15083686 YFUKLZTWDUXTAW-UHFFFAOYSA-N 432.473 2.661 0 40 IFAB CSCC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cc(=O)[nH]c(-c2cccnc2)n1 19573956 ZORDBZYVDVBDLC-WMZOPIPTSA-N 449.536 2.868 0 40 IFAB COc1ccccc1CN1CCCc2c(C)nc(C3CCN(S(C)(=O)=O)CC3)nc21 19705704 OPQWTNNMZFHJQS-UHFFFAOYSA-N 430.574 2.885 0 40 IFAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)Cc1ccc3c(c1)CCCO3)C2 19707429 VSRORWICMMDYCB-OAQYLSRUSA-N 449.555 2.654 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19744656 XMPREAKUEPIUBW-UHFFFAOYSA-N 448.449 2.894 0 40 IFAB CCN(CC)S(=O)(=O)N1CCC(c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)CC1 19763939 NMBLGXVSBDILBE-UHFFFAOYSA-N 449.552 2.942 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc12 19940865 OLFWWERYUJPYIT-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB COc1ccc([C@H]2N=C3NCN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC 20101761 XBEFSQNRRQJJJP-JTSKRJEESA-N 448.527 2.776 0 40 IFAB CCc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20610578 SWBSFAZGZOBWPV-NRFANRHFSA-N 432.480 2.519 0 40 IFAB biogenic O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCCc1ccccc1 20734745 HIWFGTWCYIRNKB-UHFFFAOYSA-N 432.524 2.591 0 40 IFAB CCOc1ccc(N2C(=O)/C(=C\NCCCN3CCOCC3)c3ccccc3C2=O)cc1 21841877 MTRQKDGJRSCENN-NKFKGCMQSA-N 435.524 2.925 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(-n3cncn3)cc2)sc(C)c1C 22890444 PFHQEQRJVJBPOY-UHFFFAOYSA-N 428.470 2.918 0 40 IFAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)NCC1(N2CCOCC2)CCCCC1 23732120 VGCDCSQXYJROCV-UHFFFAOYSA-N 425.529 2.785 0 40 IFAB COc1ccc([C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2nccn2C)cc1 24712204 RUDRFJRGCDPKTD-OAQYLSRUSA-N 440.525 2.623 0 40 IFAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 25087782 XRCCHBOPPOOULP-UHFFFAOYSA-N 425.557 2.882 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2 32615750 LLAJNAICDFAXRB-UHFFFAOYSA-N 435.871 2.554 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325481 IIBYDCMTZBQTPS-CQSZACIVSA-N 445.522 2.995 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1 36597335 VADTYELJKXAGLQ-IFMALSPDSA-N 434.496 2.860 0 40 IFAB biogenic Cc1ccc2cc(CN(Cc3cccnc3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2c1 57607153 LHPSBTIPKOSWCK-NRFANRHFSA-N 445.527 2.599 0 40 IFAB CN(C)C[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H](O)c1ccccc1 58146463 XBGIHIPTYWXXSD-DNVCBOLYSA-N 439.965 2.776 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)C2CN(c3nc4ccc(OC)cc4s3)C2)n1 62023124 RNFNGOSLKMBVKH-UHFFFAOYSA-N 432.527 2.942 0 40 IFAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(=O)n(CC(=O)NC4CCCCC4)nc23)cc1 64580769 XIAXNDLRJFJASS-UHFFFAOYSA-N 445.523 2.617 0 40 IFAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)c1 71327361 WYHSNZLJBSQTFK-UHFFFAOYSA-N 425.445 2.503 0 40 IFAB COc1ccc(NC(=O)CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)cn1 72327181 XOAZVZCIPCRAQK-UHFFFAOYSA-N 440.935 2.662 0 40 IFAB COc1cc(C(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)cc(OC)c1OC 72393305 WJAKYJDEVAORRM-UHFFFAOYSA-N 440.496 2.818 0 40 IFAB COc1ccc(CN2C[C@H](C(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)CC2=O)cc1 79024923 KYVLJVZEZRNCPW-VQIMIIECSA-N 434.496 2.895 0 40 IFAB O=c1occ(CN2CCCCC2)c(O)c1CN1CCN(CCOc2ccc(F)cc2)CC1 79481647 RXIRCPAPCSGAPU-UHFFFAOYSA-N 445.535 2.667 0 40 IFAB Cc1nc([C@@H]2CN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 95468236 MIRULILNGMTEDB-ZFWWWQNUSA-N 425.411 2.608 0 40 IFAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)sc1CC(C)C 95472827 NAIJMVLRYDHVJL-GFCCVEGCSA-N 441.513 2.996 0 40 IFAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)C4CCOCC4)CC3)c3ccccc32)CC1 96052966 ZTIKHFJORCLYEW-NRFANRHFSA-N 439.600 2.625 0 40 IFAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)Cc3cccnc3)CC(=O)N(C)C2)c(C)o1 96113316 FOZJEBIRJDZHRP-WOJBJXKFSA-N 440.544 2.697 0 40 IFAB biogenic,in-vitro Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 96251340 BRFRDAOCTJMSHI-OFVILXPXSA-N 433.556 2.670 0 40 IFAB CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102085660 VFKSJBKTHFNPEF-SIJNQADMSA-N 436.508 2.880 0 40 IFAB CC(=O)Nc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 225527822 RFSGUKTWVFTWGP-UHFFFAOYSA-N 431.499 2.858 0 40 IFAB O=C1N[C@H](CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCC3)C2)c2ccccc21 257208184 BLBRTRCBEPDUTN-OXQOHEQNSA-N 435.528 2.617 0 40 IFAB CC(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)[C@@H](c2ccc(OC(C)C)cc2)C1 257341455 ZKKGYOQMGBORDF-HSZRJFAPSA-N 439.560 2.506 0 40 IFAB Cc1nc(C(=O)N2CC[C@@]3(CCn4ncnc4[C@@H]3NC(=O)Nc3ccccc3)C2)cs1 306130748 JOKIRXKNDSFLRX-LAUBAEHRSA-N 437.529 2.842 0 40 IFAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408561468 SVMKJSVDAVYMCE-UHFFFAOYSA-N 432.420 2.648 0 40 IFAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)cc1 408657146 GINQQSLIRCFWFB-UHFFFAOYSA-N 447.403 2.782 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408662733 PGXANLGFWMIQEN-QEWLZKHVSA-N 425.268 2.506 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)c(OC)c1 408669564 WMMSPTAAYXVYCF-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)C1=O 409012627 KUJCUUFMFUTVOU-HMHNVIDESA-N 437.470 2.625 0 40 IFAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N1 409045834 ITMXOLVVLCTDDW-LUDQZLGDSA-N 434.517 2.807 0 40 IFAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1csc(-c2cccnc2)n1 524734191 GSQSHMTXHIIFQI-GWJPWWOOSA-N 434.521 2.974 0 40 IFAB C[C@@H](C(=O)NCCCNC(=O)[C@H](C)N1CCc2ccccc2C1)N1CCc2ccccc2C1 553180866 LJESJNJRWPLXPH-SFTDATJTSA-N 448.611 2.503 0 40 IFAB CN1CCN(Cc2ccccc2)[C@@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)C1 1658363010 RAQSSXZXYFMVTA-FQEVSTJZSA-N 428.943 2.966 0 40 IFAB O=C(c1ccc(N2CCOCC2)cc1)N1C[C@@H]2CCC[C@]2(COc2ncc(F)cn2)C1 1888904044 BWLWTXUNIAIOMD-FDDCHVKYSA-N 426.492 2.774 0 40 IFAB CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2c1c(=O)n(C)c(=O)n2C 880875 CEYWEOSEZCVJKR-UHFFFAOYSA-N 443.573 2.699 0 40 IFAB CCc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)s1 2625181 OPRUQJZBQJYRHB-LLVKDONJSA-N 434.465 2.911 0 40 IFAB COc1ccc(C)cc1-n1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O 3492520 RJJDKQZYQGCMNC-UHFFFAOYSA-N 425.510 2.654 0 40 IFAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1 4388383 DSOHSACOIMDKRI-HKBQPEDESA-N 441.597 2.771 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCCN(C)C)cc2c1 6198548 ZXUYYOMXUZXLJP-UHFFFAOYSA-N 428.558 2.958 0 40 IFAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21 8604933 FOANTBHKWTUUCQ-UHFFFAOYSA-N 440.843 2.500 0 40 IFAB Cc1nnc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1C1CCCCC1 8896383 ONPPAXSVBGWVJI-UHFFFAOYSA-N 434.566 2.716 0 40 IFAB COC(=O)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1 8915373 WJJKXBNBEFDEDD-KHYOSLBOSA-N 440.349 2.716 0 40 IFAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1C 8927524 AIVVVFYTYVBZBV-KRWDZBQOSA-N 428.872 2.876 0 40 IFAB Cc1csc(=O)n1CCC(=O)OCC(=O)N[C@@H](C)c1ccc(Br)cc1 9244563 CKPFNNGPDDHLGT-LBPRGKRZSA-N 427.320 2.791 0 40 IFAB Cc1c(NC(=O)[C@@H](C)Sc2nc3sccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 9314839 MVNKTNMVNBUZFT-GFCCVEGCSA-N 441.538 2.902 0 40 IFAB O=S(=O)(c1ccc(SCc2nnnn2-c2ccccc2)nc1)N1CCCCCC1 9470443 IEYPABQANBDWLI-UHFFFAOYSA-N 430.559 2.914 0 40 IFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 9635507 NMBBGPBWGSKOLH-UHFFFAOYSA-N 448.405 2.684 0 40 IFAB CCSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)s1 9882824 SVZWVZZKMUJFRC-UHFFFAOYSA-N 432.618 2.940 0 40 IFAB O=C(c1cc(C2CC2)n(CC(=O)N(Cc2ccccc2)c2ccccn2)n1)N1CCOCC1 11929901 PAENJQAAWCXNSR-UHFFFAOYSA-N 445.523 2.861 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)cc1OC 12231266 SKGPYPTVDJLTDH-UHFFFAOYSA-N 438.480 2.884 0 40 IFAB CC(C)CSc1nc2ccccc2n1CCCn1c(=O)c2c(ncn2C)n(C)c1=O 12520362 RGTGVDXHOKRCCZ-UHFFFAOYSA-N 426.546 2.622 0 40 IFAB COc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc(OC)c1 14092751 MDUIGKITOMQHBN-GASCZTMLSA-N 434.514 2.754 0 40 IFAB O=S(=O)(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc2c(c1)CCCC2 14100953 SAFPNIUZSIVJPP-UHFFFAOYSA-N 440.612 2.890 0 40 IFAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1 14140419 FSSVFRNDFVWRCS-DEOSSOPVSA-N 436.512 2.747 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 15759722 BWEWGLWEBRPCQW-UHFFFAOYSA-N 439.541 2.537 0 40 IFAB COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)c1 16188128 QJPKJAVAYFCLGU-UHFFFAOYSA-N 428.894 2.625 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1CCNC(=O)C(=O)Nc1ccccc1 16689742 ULVUZYLOZNOJQG-IBGZPJMESA-N 447.532 2.822 0 40 IFAB CC[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc(Br)cc1 16695278 OQJMOSNKCCELFV-INIZCTEOSA-N 429.318 2.885 0 40 IFAB CCCN1CCN(C(=O)Cn2cc(C)nn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502789 VAHFPUXJLXWOMG-QHCPKHFHSA-N 446.555 2.588 0 40 IFAB CN(C)c1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)CCn2ccccc2=O)n1 19585222 UQMQUQKFPFFWDL-FQEVSTJZSA-N 432.528 2.910 0 40 IFAB COc1ccc(NC(=O)CSc2nn3c(=O)c(Cc4ccccc4)nnc3s2)cc1 20442265 PBTKQPCXZRNLND-UHFFFAOYSA-N 439.522 2.876 0 40 IFAB COc1cc(C(=O)NCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc(OC)c1OC 23100949 AAUWWQSTKUZIRB-GOSISDBHSA-N 444.484 2.639 0 40 IFAB O=C(N[C@H](C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1)c1cccs1 25581254 XCNMDQVKZKMIBI-NRFANRHFSA-N 436.537 2.767 0 40 IFAB C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25901417 PCORALLRVOMANM-AEFFLSMTSA-N 429.542 2.788 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)N2CCCC2)cc1 28293378 GIQCQIRSCNSXPR-JOCHJYFZSA-N 448.523 2.817 0 40 IFAB NC(=O)CN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 32074759 HDXUGKTWPLTPDQ-QFIPXVFZSA-N 435.871 2.695 0 40 IFAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2c(CC)cccc2CC)c1=O 32682431 IDGDNCDMPNLCRE-UHFFFAOYSA-N 441.576 2.756 0 40 IFAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N(CC)Cc1ccc2c(c1)OCCO2 32759232 YSSSQJJFIVOMMS-UHFFFAOYSA-N 441.528 2.776 0 40 IFAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 34890270 DVUMDQULNYOVSO-REWPJTCUSA-N 437.540 2.946 0 40 IFAB O=C(CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)Nc1ccc(F)cc1 40128132 KIQGSPRVGDWHOL-UHFFFAOYSA-N 429.267 2.580 0 40 IFAB COCCCNC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44839015 JMJPMJRXVTVQRK-UHFFFAOYSA-N 439.921 2.730 0 40 IFAB Cc1ccc(OCCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44908985 WIJINJANPSHOKD-LJQANCHMSA-N 438.933 2.761 0 40 IFAB Cc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)NC2=O)cc1C 64965768 OYBPCMLTHHKKJJ-UHFFFAOYSA-N 433.480 2.682 0 40 IFAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 72337886 JHSCHRZCALCHAG-SNYIIPAISA-N 428.577 2.573 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)c4ccccn4)C3)nn2c(C)c1CCC(=O)NC(C)C 72369615 PNVNUBUUEUKZOU-GOSISDBHSA-N 434.544 2.828 0 40 IFAB NC(=O)[C@@H]1CCCN(C(=O)C2(Cc3cc(-c4ccc(F)cc4F)no3)CCOCC2)C1 72394553 QBFIRVGSYQOUSE-CQSZACIVSA-N 433.455 2.683 0 40 IFAB O=C(NCCn1ccc2ccc(Br)cc21)[C@H](c1ccccc1)n1cnnn1 72402438 YHPDFOUYXHRELC-SFHVURJKSA-N 425.290 2.796 0 40 IFAB O=C(O)Cn1ccc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)ccc21 95425313 LQUQMVRBDPURMA-UHFFFAOYSA-N 431.470 2.746 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 96231733 AXQPAZWAWISEDI-SFHVURJKSA-N 445.903 2.644 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ccccn4)C[C@@H]3C2)cc1 96251480 WNHDYZDKJIEQAI-NVQXNPDNSA-N 448.567 2.608 0 40 IFAB O=C(COC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1O)c1ccc(F)cc1 101356813 DPDOCARDVDSZEL-MFRYECHYSA-N 435.407 2.883 0 40 IFAB O=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2cccc(F)c2)CCOCC1 257250734 JNVMSJJJVPRTTF-GOSISDBHSA-N 438.503 2.634 0 40 IFAB Cc1noc(C)c1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257325133 WRPADIZICJKBDB-HWBMXIPRSA-N 440.588 2.510 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccncc3)cn12 306129410 ICEBMFORFHMYJE-QFIPXVFZSA-N 447.587 2.574 0 40 IFAB O=S1(=O)c2ccccc2O[C@]2(CCN(Cc3ccco3)C2)CN1Cc1ccccn1 306140972 VHWFOTFROTXUBC-QFIPXVFZSA-N 425.510 2.903 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 409241112 ITVMNIZVVZOWJQ-UHFFFAOYSA-N 433.549 2.794 0 40 IFAB CC(C)CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 409300723 ALVIRDRMGZWPRX-UHFFFAOYSA-N 436.505 2.955 0 40 IFAB CC(C)(CNC(=O)[C@@H]1CC12CCOCC2)S(=O)(=O)c1ccc(Br)cc1 530896731 QAMMFVXSDBZOLK-HNNXBMFYSA-N 430.364 2.934 0 40 IFAB COCCn1cnc2c(N3C[C@@H]4CN(c5nc(C(F)(F)F)cs5)C[C@H]4C3)ncnc21 1888910632 IFBXZJGXEGIIBT-VXGBXAGGSA-N 439.467 2.521 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1 1359388 MJHBEZDZCTZTFS-UHFFFAOYSA-N 432.546 2.883 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)CC1 3202992 ZQFWTDMRWLGKDW-UHFFFAOYSA-N 430.954 2.786 0 40 IFAB CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)CNC(=O)c1ccccc1 4115439 IUCHXVAMUWGYHD-RDPSFJRHSA-N 429.561 2.652 0 40 IFAB COc1ccccc1NC(=O)c1ccc2c(c1)N(CC(=O)NC(C)C)C(=O)C(C)(C)O2 4965768 JRKSIEWTHVXLPO-UHFFFAOYSA-N 425.485 2.976 0 40 IFAB CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C 8635926 ZZEFXBQCYCNOMK-JQHSSLGASA-N 427.549 2.601 0 40 IFAB biogenic,in-vitro C[C@H](C(=O)NCCc1cccs1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8852764 OAKBJDXFRRTURX-OAHLLOKOSA-N 429.542 2.875 0 40 IFAB C[C@H](CCc1ccco1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9053616 LYMFNWDSFYKLDC-CABCVRRESA-N 448.570 2.823 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=NN2[C@H]3C(=O)OC(C)(C)C)cc1 9076245 ISZOPQBEIHDNBZ-PLACYPQZSA-N 447.491 2.916 0 40 IFAB COc1ccc(OC)c(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)cc4)c3n2)c1 9407961 MCLDXXMXIHSTSK-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(F)c4)n3N)[nH]n2)cc1 9448746 VBKZZUZLNHFETA-UHFFFAOYSA-N 439.476 2.928 0 40 IFAB CCc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9743404 KYSPOQANMRAVTK-HXUWFJFHSA-N 443.569 2.937 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 9851701 MVLCHKWIAGYQNP-UHFFFAOYSA-N 443.511 2.631 0 40 IFAB COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1Cl 10102778 JFHXKMOWKSLHJS-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 12085423 KDTGOIRUBPNGEY-DEOSSOPVSA-N 437.496 2.651 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3ccc(C(N)=O)cc3F)C1)O2 12237166 ZRJLDRAWISIYGX-LHSJRXKWSA-N 426.444 2.819 0 40 IFAB COc1ccc([C@@H](NS(C)(=O)=O)c2nccc3cc(OC)c(OC)cc23)cc1OC 12371243 RZWNYZVIUAKMDP-HXUWFJFHSA-N 432.498 2.908 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cnc2ccccc2c1 12781833 PRYVBSIFSBKYEN-OAQYLSRUSA-N 441.509 2.948 0 40 IFAB Cc1cccn2cc(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)nc12 12783384 TXTRHDAQUGBKDO-UHFFFAOYSA-N 442.541 2.850 0 40 IFAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCCOc2ccc(Cl)cc2)C1=O 12788652 HLIFNKURGWXZBF-FQEVSTJZSA-N 426.864 2.552 0 40 IFAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12913398 CIGXYNNYNKCELN-AWEZNQCLSA-N 432.933 2.644 0 40 IFAB Cc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(S(=O)(=O)N(C)C)c1C 12937527 AGEGXFMQKKPOCV-UHFFFAOYSA-N 429.542 2.832 0 40 IFAB COc1cc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC(F)F 13095771 HSVYBFAWPKLRPG-UHFFFAOYSA-N 428.457 2.819 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccccc2OC)cc1 13575111 KSFPBSXRBBQETG-HSZRJFAPSA-N 447.491 2.843 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 14141450 FIQZCPAXDJPTHZ-UHFFFAOYSA-N 437.588 2.709 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 16050815 NCLHSJCAHFIQSX-KGLIPLIRSA-N 439.493 2.718 0 40 IFAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 17908820 LVLAYIOYXDHEPP-UHFFFAOYSA-N 444.431 2.741 0 40 IFAB Cc1csc2c([C@@H]3CCCN(C(=O)CCCN4C(=O)NC(C)(C)C4=O)C3)nc(C)n12 19240401 MRRLILYJDUMNCF-OAHLLOKOSA-N 431.562 2.829 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cn3nc(C)ccc3=O)cc2N1 19520721 GEBPVUPYVQUPNW-VNQPRFMTSA-N 438.454 2.810 0 40 IFAB Cc1nn(C)cc1CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697680 NLPAYRHDBMIYOC-LJQANCHMSA-N 440.569 2.989 0 40 IFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)C1(c3ccccc3)CCOCC1)C2 19708785 JKNJINJWAWHBEA-IBGZPJMESA-N 449.599 2.961 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)c1ccc(COC)cc1)C2 19710923 ORXRCMHIANVXRN-UHFFFAOYSA-N 437.544 2.589 0 40 IFAB COCCNC(=O)c1cc([C@H]2CN(Cc3cnc(C)s3)CCO2)nc2ccccc12 19762262 DAYDDOILPXGUHV-OAQYLSRUSA-N 426.542 2.949 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1C 20459154 GDSQGULXYDJLJG-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)c2ccccc21 20518843 LYOVROZMDHMRFL-NKFKGCMQSA-N 446.551 2.881 0 40 IFAB COCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C(=O)C3=CCCC3)CC2)C1=O 20998874 XNEVZNHKCVNHMD-XMMPIXPASA-N 443.519 2.654 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2F)n1N 21097432 CNDMJTMITVVKKV-GFCCVEGCSA-N 426.477 2.654 0 40 IFAB O=S(=O)(c1c(F)cccc1F)N1CCN(Cn2nc(-c3ccco3)oc2=S)CC1 22310491 YKQXZJOOYYHLJD-UHFFFAOYSA-N 442.469 2.708 0 40 IFAB CCn1c(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccco1 23763512 PTJUNBQCRPSWAQ-KGLIPLIRSA-N 449.533 2.598 0 40 IFAB C[C@H]1CN(c2ccc(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)cn2)C[C@@H](C)O1 24670456 JSNMWVGMJWYROF-FUHIMQAGSA-N 440.569 2.527 0 40 IFAB CC(C)C(=O)NCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 24759676 ZCALFKSYQYDHHA-UHFFFAOYSA-N 429.951 2.704 0 40 IFAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccc2c(c1)OCCCO2 24763158 WXPFKUVYVKLCHM-UHFFFAOYSA-N 426.498 2.706 0 40 IFAB Cn1ncc2c(=O)n(CC(=O)NCCCN3c4ccccc4Sc4ccccc43)cnc21 24823521 PYHZVPRLLYGYNO-UHFFFAOYSA-N 446.536 2.939 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)CC(=O)Nc3ccc(C)cc3)s2)cc1 27664626 NOBZURQRQHCOTP-UHFFFAOYSA-N 446.510 2.520 0 40 IFAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 32865610 KYTQUZPEDKVVAX-JOCHJYFZSA-N 427.508 2.871 0 40 IFAB O=C(CSCC(=O)N1CCOCC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904202 KCABFGYKNJMIOI-UHFFFAOYSA-N 428.514 2.861 0 40 IFAB O=C(CSc1ccc(C(=O)N2CCCC2)cn1)N1CCN(c2ccccc2F)CC1 32907207 KFTZIQVPWQOAJY-UHFFFAOYSA-N 428.533 2.898 0 40 IFAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@@H]23)[C@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]42)cc1 33821773 ZGOYGPMYIGGZBU-IBYACTMASA-N 446.459 2.795 0 40 IFAB COc1ccc(CNC(=O)c2nnn(Cc3nc(-c4ccccc4)oc3C)c2N)cc1OC 35527770 AHXRGKNMSKYRMB-UHFFFAOYSA-N 448.483 2.819 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)N[C@H](C)c3ccccc3Cl)CC2)C1 36404263 ACLCBKDMLFZOMZ-CEXWTWQISA-N 435.012 2.639 0 40 IFAB CCN(CCNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)c1cccc(C)c1 36622053 CPNMWSGPDWDWRO-UHFFFAOYSA-N 431.558 2.509 0 40 IFAB CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 58179519 JEYQGAHUIIIDGH-HXUWFJFHSA-N 429.542 2.845 0 40 IFAB Cc1cc(C)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1C 59248387 ZSDLLPXVZFWYSI-QFIPXVFZSA-N 428.510 2.665 0 40 IFAB Cc1cc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(CC(C)C)c(=O)c2[nH]1 67237815 NELAFHSSPZIMOF-UHFFFAOYSA-N 428.514 2.826 0 40 IFAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(C)cc4)CC3)nc2N)cc1 71772096 BMEODVZGRYDOOH-UHFFFAOYSA-N 439.541 2.535 0 40 IFAB CCOc1cc2c(cc1CN1CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC1)OCO2 72338949 CBYNTGUUPVXQJD-QFIPXVFZSA-N 445.541 2.756 0 40 IFAB O=C(C1CCOCC1)N1CCc2nc(C3CCN(C[C@@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72398752 WOQDVHYUYIPKPY-GOSISDBHSA-N 440.588 2.617 0 40 IFAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N(CCCN1CCOCC1)c1ccccc1 89845573 GRRBTAGBKMQDKZ-UHFFFAOYSA-N 443.569 2.596 0 40 IFAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc(OC)c1OC 95479536 YNLPQFJMEWRCIP-LLVKDONJSA-N 428.420 2.719 0 40 IFAB Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C[C@H]1CC[C@@H](c2ccc(F)cc2)S1 95933653 PMSYXEXASXYPSH-GMYMIRISSA-N 448.556 2.828 0 40 IFAB COCCN1[C@H]2CCN(Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O 107184565 VMNKSVAJEBGSPL-PMACEKPBSA-N 434.533 2.888 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(C)c3)S(C)(=O)=O)n2)c1 220151896 PIMTUNUAPKSWGE-INIZCTEOSA-N 428.514 2.824 0 40 IFAB CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)CC)CC2)sc2c1CCCC2 222621102 VHABIZHNMFESJL-UHFFFAOYSA-N 428.576 2.804 0 40 IFAB COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 222758495 CHQVTSSVYYWMLO-UHFFFAOYSA-N 434.558 2.975 0 40 IFAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COc4ccccc4O3)c2)CC1 225273118 YCNWBJJIIDQDJR-SFHVURJKSA-N 430.526 2.677 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCCOC)ccc21 225694659 KNPOCNCNRVJXHZ-UHFFFAOYSA-N 449.554 2.650 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)n1 257250588 JNEHSQADVCGKKT-IBGZPJMESA-N 445.907 2.909 0 40 IFAB CN([C@H](C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1)S(C)(=O)=O 260741106 FRNLASKKIDDHCO-FQEVSTJZSA-N 429.542 2.884 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(Cl)c1 408635892 JCNJRKHVQXEMIO-UHFFFAOYSA-N 426.922 2.899 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408659927 KIBCVLOZIGGZQO-GNTOHDJUSA-N 438.402 2.608 0 40 IFAB NC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 409025188 NKMYJNGDBAAUNT-UHFFFAOYSA-N 427.457 2.759 0 40 IFAB COc1c2c(c(CNC(=O)c3cccc(NC(=O)C(C)C)c3)c3c1OCO3)CCN(C)C2 524731793 KPJWCJTWODEFAW-UHFFFAOYSA-N 439.512 2.936 0 40 IFAB biogenic COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)cc1 585270725 PKIVHYKPCNPLJT-NRFANRHFSA-N 442.556 2.958 0 40 IFAB Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)nc2nc(O)nc(O)c12 656418898 NMQQMUJJRNSSJZ-MLYOOKFZSA-N 445.523 2.727 0 40 IFAB Cc1nc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)CC2)cc(C(F)(F)F)n1 1888879338 VOAWXPACZFKJTQ-UHFFFAOYSA-N 439.463 2.854 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1 3316728 GIQAOFILXSPSAG-UHFFFAOYSA-N 428.466 2.578 0 40 IFAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)Nc1ccc2ccccc2c1 3448270 WMLCTGLPPRZKEU-NRFANRHFSA-N 438.505 2.708 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 8298280 XQPRENJEALSDNB-NNWRFLSQSA-N 431.540 2.981 0 40 IFAB biogenic,in-vitro Cc1ccc(NC(=O)CS(=O)(=O)c2nnc([C@H](C)NC(=O)OC(C)(C)C)o2)c(C)c1 9216009 WCPUUUOIHDTVFW-ZDUSSCGKSA-N 438.506 2.685 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1cccc(F)c1 9283452 MSKSWMOVJJIIAW-UHFFFAOYSA-N 439.420 2.998 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(N4CCCC4=O)cc3)C2=O)cc1 9741662 RFBODDDXHXUCRG-VWLOTQADSA-N 449.507 2.948 0 40 IFAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ncccn2)CC1 9794965 JZLDAYUJZHPNNU-UHFFFAOYSA-N 434.569 2.982 0 40 IFAB Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807146 BBOCMWCCPBYSGM-LJQANCHMSA-N 429.542 2.520 0 40 IFAB Cc1cccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)c1 9860697 DHGASWJTXWJWCY-UXHICEINSA-N 443.594 2.956 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 9951819 CQGFNRHQUNATHP-OLZOCXBDSA-N 435.527 2.763 0 40 IFAB CCOc1ccccc1CCCNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 10111066 PLTYYKPAZWKONF-UHFFFAOYSA-N 434.558 2.605 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)CCc1nc2ccccc2s1 10360251 NDOKLNCDPAIZMF-UHFFFAOYSA-N 441.509 2.844 0 40 IFAB COc1ccc(F)c(C[C@@]2(CCC(=O)N(C)C[C@H](O)c3ccccc3)CCC(=O)N2)c1 11783483 AXCLSLQJVVPSEI-URXFXBBRSA-N 428.504 2.998 0 40 IFAB NC(=O)C1(N2CCCCC2)CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 12184675 POZPXACPAPELDC-UHFFFAOYSA-N 433.516 2.504 0 40 IFAB CCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 12231476 VFCHGQFWSKFBKC-UHFFFAOYSA-N 426.908 2.811 0 40 IFAB O=C(CN1CCC(c2ccncc2)CC1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 12235937 HFUBNHDWMHLORK-JOCHJYFZSA-N 449.599 2.950 0 40 IFAB COCCNC(=O)[C@H](c1ccccc1)N(C(=O)C(=O)NC1CCCC1)c1ccc(C)cc1 12640951 AFDKGVXHPGBABM-QFIPXVFZSA-N 437.540 2.891 0 40 IFAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cnn1-c1ccccc1 12753913 IJFNJZIHLCWNMX-UHFFFAOYSA-N 444.944 2.981 0 40 IFAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(OC(F)(F)F)cc1 12800675 WLRCRVZECVDRBW-UHFFFAOYSA-N 435.402 2.758 0 40 IFAB CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)c1 12823845 XBXSWYPBBRTXNR-FQEVSTJZSA-N 425.595 2.705 0 40 IFAB Cc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1S(=O)(=O)N1CCCCCC1 13075651 UJJKSHXYQZDSQM-UHFFFAOYSA-N 435.571 2.924 0 40 IFAB C[C@]1(C(=O)N(CC(=O)NCCc2ccccc2)C2CCCC2)CC(=O)N=C2C=CC=CN21 13082995 UDMDTDJGNISNGI-RUZDIDTESA-N 434.540 2.590 0 40 IFAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCCc1ccccc1)CCS3 13591926 YLCLKURKHNBXAX-UHFFFAOYSA-N 434.521 2.824 0 40 IFAB CCc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)coc2c1 14242679 SMKGUUMPZABWIM-UHFFFAOYSA-N 442.537 2.875 0 40 IFAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2cc(=O)n3ccccc3n2)cc1OC 14756224 URBWKDACLSFZDA-UHFFFAOYSA-N 449.419 2.914 0 40 IFAB COc1cc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 15598564 VRXGGTDLRHANMC-UHFFFAOYSA-N 426.466 2.549 0 40 IFAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 16024793 VRZPEEWGOMJIFO-PWSZPPJVSA-N 437.927 2.959 0 40 IFAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1nc(O)c2ccccc2c1=O 18039353 NYFKMECDZWNCNI-UHFFFAOYSA-N 435.267 2.506 0 40 IFAB COc1ccc2c(c1)C[C@H](C(=O)N[C@@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)CO2 19445559 GMNVDWBKDLUPLK-KSFYIVLOSA-N 434.496 2.905 0 40 IFAB COc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 19497296 NJSCIVNQSPGCAL-IRXDYDNUSA-N 440.544 2.616 0 40 IFAB COc1cc(C(=O)N2CCC[C@H](c3c(C)c(=O)nc4n3CCC4)C2)cc(OC)c1OC 19554852 BLIHKNOVFAFNLU-HNNXBMFYSA-N 427.501 2.544 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c(Cl)c1 20485306 MGJFFUVMDYWQNH-UHFFFAOYSA-N 439.921 2.768 0 40 IFAB CCNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 20801856 NREQLYFMTKNFCA-SFHVURJKSA-N 429.528 2.938 0 40 IFAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)CC1 22766413 SBIJAKCZYZJJNU-KRWDZBQOSA-N 440.491 2.810 0 40 IFAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 23265993 HGCCKFMWZCJKCO-LLVKDONJSA-N 439.873 2.911 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccncc2)CC1)c1ccccc1 23873276 DIDXTFXHVUMQKN-DEOSSOPVSA-N 428.536 2.767 0 40 IFAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 24240313 PAECOJGJDCKYDY-UHFFFAOYSA-N 444.431 2.820 0 40 IFAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)c(C)c1 24937823 GMRXBGHUNRRTGO-KRWDZBQOSA-N 449.598 2.890 0 40 IFAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(OCC(F)(F)F)nc1 25189487 PKPIZTJIXJUBJV-UHFFFAOYSA-N 439.390 2.898 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 27969773 TXGDXXVBEQFKOB-UHFFFAOYSA-N 435.303 2.594 0 40 IFAB CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)CC1 30249896 JIHARMXNMFAZEJ-UHFFFAOYSA-N 441.919 2.680 0 40 IFAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCn2ncc(=O)c3ccccc32)cc1 32820940 MBAJYGDICNIBMP-FQEVSTJZSA-N 437.496 2.994 0 40 IFAB Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)n21 32932809 RQZWFRMOHKYZNU-SFHVURJKSA-N 431.496 2.998 0 40 IFAB Cc1ccc(NC(=O)CN2CCN(C(=O)CN(Cc3ccc(F)cc3)C3CC3)CC2)cc1 35286891 VQRVBVQYZZMACE-UHFFFAOYSA-N 438.547 2.881 0 40 IFAB O=C(CCn1cnc2ccccc2c1=O)NCc1cc(-c2ccc3c(c2)OCCO3)on1 36662287 DONGAHZWDPTEHX-UHFFFAOYSA-N 432.436 2.529 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40105679 ZATRXEIVFJODQG-HNNXBMFYSA-N 431.436 2.952 0 40 IFAB NC(=O)c1ccn(-c2cccc(NC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)c2)n1 40115332 QTGPQYQITMVFSM-UHFFFAOYSA-N 446.511 2.722 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2cc(-c3nnco3)ccc2=O)sc2c1CC[C@@H](C)C2 40139002 HWJKIZRGEBRLNE-GFCCVEGCSA-N 442.497 2.900 0 40 IFAB Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)n12 49407277 XONSUQHVOJBZSZ-UHFFFAOYSA-N 428.374 2.919 0 40 IFAB CCN(CC)C(=O)c1nnc2sc(-c3ccc(I)cc3)nn12 57354698 SCVKYRCKYWTIJI-UHFFFAOYSA-N 427.271 2.939 0 40 IFAB CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1CCN(C2CC2)CC1 58018933 XENVJRQVJDYRFF-NRFANRHFSA-N 426.586 2.829 0 40 IFAB CN(C)C(=O)CNc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F 58032118 VOUKRETYTMCGEX-UHFFFAOYSA-N 437.484 2.693 0 40 IFAB CCOC(=O)c1ccc(N(CC2CC2)C(=O)CN(C)S(=O)(=O)c2cccs2)cc1 58166783 HKHYZRSUSNHNJY-UHFFFAOYSA-N 436.555 2.989 0 40 IFAB CC(C)N(C)C(=O)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 71850219 XMLXXADDVJQEDG-GOSISDBHSA-N 449.598 2.698 0 40 IFAB O=C1N[C@]2(COC3(CCN(C(=O)CCn4ncc5ccccc54)CC3)C2)Nc2ccccc21 72325245 GTUIWMQTFNTZSU-RUZDIDTESA-N 445.523 2.760 0 40 IFAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2cc(N3CCC(C)CC3)ncn2)n1 77100920 GSPUXLDLPQVOFJ-UHFFFAOYSA-N 434.500 2.584 0 40 IFAB CCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 95117091 UPRORHCTHALSGP-QGZVFWFLSA-N 426.922 2.749 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(O)C(c2ccccc2)c2ccccc2)o1 95986212 NJISFEPECHRDHZ-QFIPXVFZSA-N 429.494 2.928 0 40 IFAB O=C(CN1CCN(CCO)CC1)N[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 96235386 NNBUVIDQCALOBO-IBGZPJMESA-N 431.989 2.815 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139110 WRIFRSPQDJHICX-KUHUBIRLSA-N 446.511 2.711 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)cc1 100911622 KGKLWPWQHSXRRR-QZQOTICOSA-N 447.538 2.740 0 40 IFAB C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 105630995 KMHFOMIMTGFSRX-PWNZVWSESA-N 428.938 2.897 0 40 IFAB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1)N1CCOCC1 107986501 FBWFFHKMBBVHRB-HUUCEWRRSA-N 445.566 2.927 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1OC 220237175 FDABJISBGMRSOS-IRXDYDNUSA-N 434.558 2.996 0 40 IFAB CCN(c1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1)S(=O)(=O)CC 222391399 PMABTRJDNHBUIF-UHFFFAOYSA-N 431.558 2.834 0 40 IFAB CN(CCCC(=O)NCC1(c2ccccc2)CCOCC1)S(=O)(=O)c1ccccc1 223789012 GROMFBOWWSPOLV-UHFFFAOYSA-N 430.570 2.952 0 40 IFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224013192 JXEJROWOUJXWMA-ZDUSSCGKSA-N 444.912 2.837 0 40 IFAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224984880 CGMYLSBLFCVLEH-RTBURBONSA-N 445.585 2.785 0 40 IFAB Cc1ccc(NC(=O)CN2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1Cl 606440491 FTUWXAFSXPVTSJ-UHFFFAOYSA-N 446.857 2.878 0 40 IFAB CC(C)(C)OC(=O)NCCCCCc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1857793624 HEDNUGMKVBGPTI-GOSISDBHSA-N 429.517 2.685 0 40 IFAB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC 2652945 SGKPOGLECFPJJH-UHFFFAOYSA-N 441.267 2.922 0 40 IFAB COCC(=O)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]2C1 4235897 IRHSSUWAYPUMKP-GOSISDBHSA-N 447.413 2.624 0 40 IFAB biogenic,in-vitro O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 4762751 WVCKHCFMKROGJN-OAQYLSRUSA-N 449.523 2.857 0 40 IFAB O=c1cc(O)n(-c2ccccc2)c(=S)n1-n1c(=O)cc(O)n(-c2ccccc2)c1=S 8873425 PNSVUBWQWVPMCX-UHFFFAOYSA-N 438.490 2.773 0 40 IFAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O 9058044 WOWFIDSTCCGNFT-UHFFFAOYSA-N 431.905 2.576 0 40 IFAB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 9120287 SYYLWGNHADPNNO-UHFFFAOYSA-N 449.463 2.941 0 40 IFAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)c1ccc(Cl)s1 9222442 RIPLLWODAJDPNK-UHFFFAOYSA-N 428.919 2.547 0 40 IFAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CSc1nnnn1-c1ccccc1Cl 9347977 WMFRKEMZYXQJLB-UHFFFAOYSA-N 440.916 2.908 0 40 IFAB CCOC(=O)C1=C(COC(=O)Cc2csc(-c3cccc(C)c3)n2)NC(=O)N[C@H]1C 9684587 QMHNOGLZTIEAQI-ZDUSSCGKSA-N 429.498 2.723 0 40 IFAB COc1cc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C)c(C)c4)c3n2)cc(OC)c1OC 9739169 AMHZKYKDKSMOGM-UHFFFAOYSA-N 449.467 2.517 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(NC(=O)c2ccco2)cc1 11145356 DXCKSNXLGDYQDB-UHFFFAOYSA-N 446.257 2.934 0 40 IFAB O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031352 IEQSXGBERDQXLS-CQSZACIVSA-N 431.894 2.692 0 40 IFAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C(C)C)c1 12109603 WMKIQJNNEMXLOK-HXUWFJFHSA-N 429.542 2.829 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncncc3-c3cc(C)no3)C2)cc1 12127891 IFVHSCJJPHVBGJ-MRXNPFEDSA-N 441.513 2.967 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)Cc4cccc(F)c4)CC3)c(=O)c2c1C 12188630 OLIZTVYRKUYGNO-UHFFFAOYSA-N 429.517 2.810 0 40 IFAB CN(C)C(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 12338543 MUAZMWPTQLFYFD-UHFFFAOYSA-N 431.333 2.570 0 40 IFAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 12596209 RPUYODMRPIWHBE-LFIBNONCSA-N 442.585 2.618 0 40 IFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccc4c(c1)OCCO4)(C3)C2 12852584 VWCZATWHQPPPPO-GDDCAUNMSA-N 442.512 2.803 0 40 IFAB Cn1c(SCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)nnc1C(F)(F)F 12916597 OQLPYVFGWGVGKV-UHFFFAOYSA-N 433.887 2.924 0 40 IFAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 12995586 VZYYNGIULFODIY-HNNXBMFYSA-N 448.516 2.875 0 40 IFAB COC(=O)c1ccc(COC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)cc1 13013905 GJAFOZGVNTYJDH-IBGZPJMESA-N 431.510 2.833 0 40 IFAB COc1cccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 13670384 MOODRZXXGVNRQL-UHFFFAOYSA-N 426.535 2.650 0 40 IFAB O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1c1ccc(F)cc1)[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]31 13810156 ZKXHQSHCOVDPJB-ABPJMCOGSA-N 434.398 2.692 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 13843059 GZDSZIXUBAULAU-LLVKDONJSA-N 441.303 2.526 0 40 IFAB COc1ccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1CN1CCCC1 19559163 IMZWCHFRIGLMRN-UHFFFAOYSA-N 431.540 2.995 0 40 IFAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)Cc1c(C)nc(OC)nc1OC)C2 19579459 QTSRRDZTSANQCB-OAQYLSRUSA-N 441.528 2.733 0 40 IFAB NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)COc2cccc3cccnc23)CCO1 19703087 LQIJMGLRAALADQ-KRWDZBQOSA-N 448.504 2.922 0 40 IFAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)C2CCN(C(C)=O)CC2)cc1 19713117 RKZCCZHESHMKMG-PKTZIBPZSA-N 441.572 2.826 0 40 IFAB COc1ccc(-c2noc(CCC(=O)O[C@H](C)C(=O)N3CCC(C)CC3)n2)cc1OC 22013128 IFXKDUAKYDUKBW-OAHLLOKOSA-N 431.489 2.877 0 40 IFAB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 22622798 FQEVTWBYDFCVSH-UHFFFAOYSA-N 438.465 2.918 0 40 IFAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)O[C@H](C)C1 25526784 DKGNIHAOTKJSCU-GASCZTMLSA-N 432.498 2.743 0 40 IFAB Cn1nc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c2ccccc2c1=O 25561499 ZLOYFOVZVXVHDP-UHFFFAOYSA-N 425.798 2.843 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cc1C 28209992 NTHOSLTUWGYRQD-QGZVFWFLSA-N 432.498 2.639 0 40 IFAB COC(=O)CCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1F 31807461 PEIQGOAIOBZYTD-KRWDZBQOSA-N 439.285 2.922 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 32721401 YEKYODZEDZNIHV-IBGZPJMESA-N 430.526 2.792 0 40 IFAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(=O)n3c(nc2c1)CCC3 32854727 ALQKPOZZQKUVAA-UHFFFAOYSA-N 425.872 2.740 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1OCC 33024123 VHTTYBIQMOEPCY-KRWDZBQOSA-N 428.485 2.512 0 40 IFAB CCc1c(C(=O)N2CCC(CN3CCCCCC3)CC2)cnn1-c1ccc(OC)nn1 48353774 VDDFXJWLJFAUBO-UHFFFAOYSA-N 426.565 2.962 0 40 IFAB CCn1c(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn(CCOC)c1=O 77147276 KCICPFJKVVXTCN-UHFFFAOYSA-N 426.439 2.750 0 40 IFAB COC(=O)[C@@]1(NC(=O)Cc2ccc(N3CCCC3=O)cc2)CCCN(Cc2ccccc2)C1 79071265 JTHAMERIJLCMFD-AREMUKBSSA-N 449.551 2.680 0 40 IFAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2ccc(Br)cc21 94993141 AYDDGTUJPQKHJT-UHFFFAOYSA-N 429.318 2.656 0 40 IFAB CC(C)n1c(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96116220 XYNXZSSCFLWDHI-IBGZPJMESA-N 433.512 2.807 0 40 IFAB biogenic COc1cc(CC(=O)N2[C@H]3CC[C@H]2[C@]2(C3)NC(=O)c3ccccc3N2)cc(OC)c1OC 100119628 KWHLMGWUWVLXIN-CCQPRUGESA-N 437.496 2.570 0 40 IFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 107688778 WOATVVKLDVJELE-OAHLLOKOSA-N 429.420 2.576 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1OC 220232504 CSHHJNRSHBDOCC-AWEZNQCLSA-N 442.559 2.501 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 222707361 MNPUEVPZOIVUPI-GOEBONIOSA-N 436.555 2.797 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223229638 NDVBIVGAZITZFU-HXUWFJFHSA-N 439.487 2.755 0 40 IFAB COc1ccccc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223597608 VCAARXVMKBXORT-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)Cc1ccccc1F 224852410 XYZRWCQGVKCPSJ-UHFFFAOYSA-N 447.576 2.890 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc21 225072410 DQPTZDPTPSFXNK-UHFFFAOYSA-N 449.529 2.779 0 40 IFAB COc1cccc([C@H]2C[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)c1 257223710 DYOWFKLOOHYUFQ-CQAHELDESA-N 447.601 2.607 0 40 IFAB COc1cccc(C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)c1OCc1ccccn1 257249882 JKCYUUARRPOOQI-RUZDIDTESA-N 446.507 2.724 0 40 IFAB O=C(c1ccccc1)N1C[C@H]2NS(=O)(=O)c3ccccc3N(C(=O)c3ccccc3)[C@@H]2C1 306129663 IJDDWORJAQKCIK-TZIWHRDSSA-N 447.516 2.519 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408658542 LAZKXZQDVCKXHX-OAHLLOKOSA-N 444.871 2.970 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 409133266 PQZRRERZYBFRJW-UHFFFAOYSA-N 440.319 2.812 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1O 409195614 RCFCEYPZCUFBFG-GIJQJNRQSA-N 442.449 2.847 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)c1 585107182 QSLKWQIHAFTOPV-OZXSUGGESA-N 435.568 2.702 0 40 IFAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CC(C)(C)CC(=O)O)C2 643576040 FOYUIQYUIYLIGN-UHFFFAOYSA-N 434.533 2.984 0 40 IFAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(c2ccc(F)cc2)CC1 3350340 SOYZRWHZUXNYIV-UHFFFAOYSA-N 425.485 2.836 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)cc1 8707905 BNHQYEDSYFFAEM-UHFFFAOYSA-N 447.513 2.913 0 40 IFAB CCn1c(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 8898987 MIJIRMQETSFWSE-INIZCTEOSA-N 446.554 2.870 0 40 IFAB COc1cc(/C=C/C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc(OC)c1OC 9096807 RZNRWLMTMKJGPD-CSKARUKUSA-N 434.514 2.923 0 40 IFAB COc1ccc(C(=O)Nn2cc3c(c2-c2ccc(Cl)cc2)c(=O)n(C)c(=O)n3C)cc1 9253885 CZPJNXMLCPGSIT-UHFFFAOYSA-N 438.871 2.752 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCc1ccccc1Cl 9412733 UCHNDHCMDYTHTB-UHFFFAOYSA-N 443.294 2.660 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc2c(c1)OCCCO2 9494309 UYVYXANEVNHTFA-UHFFFAOYSA-N 435.415 2.521 0 40 IFAB O=C(CCC1CCCCC1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9569953 KRGMDUSFCAYCSY-UHFFFAOYSA-N 425.570 2.754 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)OC(C)C)cc3)C2=O)c1 9592009 QWCQMVYRSFYKEI-QHCPKHFHSA-N 439.468 2.666 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC(c2nc3ccccc3s2)CC1 9671651 YZYUAMTXWKLOGK-UHFFFAOYSA-N 441.534 2.847 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)sc2c1CCC2 9789046 QVLNGGWXYAZRJH-SECBINFHSA-N 439.588 2.509 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 10169170 HZBLYXZQSIFLRI-CYBMUJFWSA-N 427.457 2.666 0 40 IFAB Cc1cnc2c(c1SCC(=O)Nc1ccc(C(F)(F)F)cc1)c(=O)n(C)c(=O)n2C 10216326 GGBDLXPWNHYNRL-UHFFFAOYSA-N 438.431 2.690 0 40 IFAB Cc1ccc(C)c(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 10826313 CRBJDWCIJFYAQN-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB Cc1cc(S(=O)(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)ccc1F 11694561 TVCVQYAAAYCQKE-UHFFFAOYSA-N 445.451 2.735 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 12222167 OZPREQLEYXVHND-UHFFFAOYSA-N 430.530 2.561 0 40 IFAB COC(=O)[C@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 12497191 FXGOZSQZXFQEMS-GRXQJBFDSA-N 430.551 2.863 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 12510336 OKTFBXUXRPZSHV-QFIPXVFZSA-N 442.903 2.615 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2)C1 13057087 ACIMZKZQJAMAGT-IYBDPMFKSA-N 433.530 2.705 0 40 IFAB CCCCN(C(=O)c1ccc(OC(F)F)c(OC)c1)c1c(N)n(CCC)c(=O)[nH]c1=O 13148351 YTRKAUUGXPKEQI-UHFFFAOYSA-N 440.447 2.586 0 40 IFAB CC(=O)OCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 13370208 OUKNMAMAICRVNZ-QGOAFFKASA-N 431.286 2.899 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCn1cnc2ccccc2c1=O 13554383 UBLMARNDEIRDEZ-UHFFFAOYSA-N 425.441 2.619 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCCN(C)C)S(=O)(=O)c1ccccc1 13673795 DXGZWIOUKGQCOL-UHFFFAOYSA-N 439.965 2.612 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc([C@H]4C[C@@H]4C)o3)CC2)cc1 16230896 PTGLJKXKZRFENF-FJOIEINYSA-N 430.526 2.958 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)C1 18223763 GRWQKIOWEFHIFY-HOTGVXAUSA-N 435.571 2.717 0 40 IFAB Cc1nc2nc(-c3ccccc3)nn2c(N2CCN(CCO)CC2)c1Cc1ccccc1 19199917 HTUWLEUZNYEIMI-UHFFFAOYSA-N 428.540 2.805 0 40 IFAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)C1 19376199 YFQVSWWJJSSXKA-UXHICEINSA-N 429.524 2.967 0 40 IFAB CN1C[C@@H](c2cc(N(C)C)nc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)CC1=O 19697338 VVGRSBGPYRDPDI-FQEVSTJZSA-N 435.572 2.827 0 40 IFAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)CCn2nccc2C)O[C@@H](c2cc(F)cc(F)c2)C1 19712416 NOARLJXOCOZSDN-PWRODBHTSA-N 434.487 2.791 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3N)C2)nc2c1CC(=O)N2Cc1ccccc1 19743720 TZJUBBZORZYYFS-SFHVURJKSA-N 442.523 2.871 0 40 IFAB CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819815 SIHWUJOACBWWJS-FQEVSTJZSA-N 432.542 2.891 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 22229671 VMIWAXRSUBEZRT-FQEVSTJZSA-N 432.542 2.524 0 40 IFAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(S(=O)(=O)N3CCCCCC3)c1)CS2 23078636 GLLRPKSCHOSPGI-FXAWDEMLSA-N 437.587 2.644 0 40 IFAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(Br)ccc2O)cc1 23324849 NYCPBTWJKBZOGD-UHFFFAOYSA-N 434.290 2.678 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCc3ccco3)CC2)cc1 23805249 JQAFQXNBCDNDGF-UHFFFAOYSA-N 448.541 2.663 0 40 IFAB COc1cc(OC)cc([C@@H](NC(=O)CSc2nc(C)cc(C)n2)c2nccn2C)c1 24021680 GYVKTVWQVVHLFH-LJQANCHMSA-N 427.530 2.842 0 40 IFAB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(Cn2ccnc2)c1 25181451 NOBYERSIPQBAHP-UHFFFAOYSA-N 427.530 2.697 0 40 IFAB COC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1OC 35213136 QCKLIUFGBFFOOQ-AWNIVKPZSA-N 448.815 2.996 0 40 IFAB CCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 40441888 ITYMTTQVNYAJAA-KRYZWCOHSA-N 448.531 2.857 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 44911962 BHGHPDFCIYDVJZ-LJQANCHMSA-N 432.498 2.728 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(Cl)c1 44940201 FHBDMAYNOBSPIS-KRWDZBQOSA-N 438.889 2.682 0 40 IFAB COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 57414455 XOVPOIWCNVXZCE-QFIPXVFZSA-N 437.496 2.543 0 40 IFAB CCOC(=O)[C@H](CNS(=O)(=O)c1ccc(OCCOC)c(C)c1)Cc1ccccc1 57991051 HPVXZABVOQBUGD-IBGZPJMESA-N 435.542 2.721 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)C1 58154946 OPWQAKZKBOBBKO-ROUUACIJSA-N 426.561 2.645 0 40 IFAB CCN(CC)CCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)CCO3)CC1 58165843 IMPWJSFGGOWPSI-SFHVURJKSA-N 430.593 2.952 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 58787938 YLKMUMFBPQFDDC-KRWDZBQOSA-N 429.542 2.864 0 40 IFAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1CCO 67301664 SCIBRQARZOYNFZ-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2ccc(F)c(F)c2)C[C@@H]1C(=O)N(C)C 72334375 XAVWFNAQZUBOKR-DVECYGJZSA-N 443.494 2.608 0 40 IFAB COCCN1C[C@@H](c2cc(N(C)C)nc(CN(C)Cc3cccc(Cl)c3)n2)CC1=O 72352057 JCVHBKJMPINRIQ-KRWDZBQOSA-N 431.968 2.790 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)[C@@H]2CCCO2)CCO1 72389319 DVSLNTREAMLXIU-URXFXBBRSA-N 426.488 2.558 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)c1 97943494 BAZQMJVXNLJYQT-QFIPXVFZSA-N 445.523 2.765 0 40 IFAB COc1ccc(C(=O)COC(=O)C2CCC(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 100619291 RBVSWOBLSLLPHR-HVNCECSISA-N 437.492 2.787 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101545948 BDXWZQDDAWXFHA-LNLFQRSKSA-N 442.512 2.933 0 40 IFAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc(C(C)=O)c1C 102440353 UUHSOXZKAZAKHG-KBPBESRZSA-N 434.514 2.940 0 40 IFAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@@]16CCN(Cc1ccccc1)CC[C@@]56[C@@H]2[C@H]43 104287713 CKKYAHQBURBLEC-MHLVMBKRSA-N 438.531 2.685 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)[C@@]2(CO)C(=O)O)cc1 218230177 UVYHYDKSNCCIEB-JFIYKMOQSA-N 425.300 2.761 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 224150069 KMFHEPLKWIPAME-UHFFFAOYSA-N 437.562 2.517 0 40 IFAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224263645 LJFRZVOJUOAELP-OAQYLSRUSA-N 434.558 2.852 0 40 IFAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224807931 CCCIZDDJTUIPDT-OAHLLOKOSA-N 438.521 2.955 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCC1=CCCCC1 225049478 JDLLOEQLLVPFKI-UHFFFAOYSA-N 436.574 2.655 0 40 IFAB CCOC(=O)C1(c2ccc(NC(=O)Cc3ccc(N(C)S(C)(=O)=O)cc3)cc2)CC1 225975541 OZZUWWOEJQXJPY-UHFFFAOYSA-N 430.526 2.858 0 40 IFAB CCc1nccn1CC(=O)N1CCC[C@@]2(C/C=C/Cc3ccccc3OCC(=O)NC2)C1 257302151 SBSHFRZIYVYPGE-GJCNFQEQSA-N 436.556 2.752 0 40 IFAB O=C(NCCc1ccc(O)cc1)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 524734862 GFVQRNJLLIIVTF-QFIPXVFZSA-N 429.476 2.950 0 40 IFAB Cc1cccc(N2CCC(O)(CNC[C@]3(O)CCN(c4ccnc5cccnc45)C3)CC2)c1 585284675 UYROTJABAZGJED-AREMUKBSSA-N 447.583 2.501 0 40 IFAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585292052 JIWMEEZNRAZAJW-SGQUHAKNSA-N 446.559 3.397 0 40 IFAB CC(C)NC(=O)N1CCC2(CC1)[C@H](C(=O)N1CCC1)c1ccccc1C(=O)N2C(C)C 1549174406 DUQAEBZTRNLFGD-FQEVSTJZSA-N 426.561 2.819 0 40 IFAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccc(F)cc4)C3)C2)c1 2056225492 OPQFAJWKQSCBQR-GMAHTHKFSA-N 432.467 2.650 0 40 IFAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccc(C)cc4)C3)C2)c1 2056226573 VDRBWBFTFMBVDG-UPVQGACJSA-N 428.504 2.819 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(C(=O)N3CCC(C(=O)OCC)CC3)cc2)CC1 4151080 RHOVLUSHVNJIHZ-UHFFFAOYSA-N 444.528 2.517 0 40 IFAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccccc4OC)ccc3c2=O)cc1 4791527 WFLNUTLEECDFQY-UHFFFAOYSA-N 445.475 2.685 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 6321770 KJUVWYHIKGZEDG-UHFFFAOYSA-N 442.537 2.921 0 40 IFAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccccc4F)cc3C(=O)N2C1)c1cccnc1 8296944 JYWLALBGTCWQRW-KKSFZXQISA-N 430.439 2.853 0 40 IFAB biogenic,in-vitro CO[C@H]1OC2=CC[C@H]3C(=O)NC(=O)[C@@H]3[C@H]2[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 8655850 CWAWZNHFJPDBBH-NLTVHONMSA-N 449.503 2.953 0 40 IFAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 8931836 PQLQWFBFTWGJMH-UHFFFAOYSA-N 446.554 2.800 0 40 IFAB CC(=O)Nc1ccc2nc(NC(=O)CSc3nnnn3-c3ccccc3)sc2c1 9189575 RFNKBBNWDCOEOE-UHFFFAOYSA-N 425.499 2.961 0 40 IFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9254856 XHUJFIHRNDVCKZ-CYBMUJFWSA-N 439.859 2.684 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)n2)cc1 9417470 KJUGDOWTKCEOEY-QHCPKHFHSA-N 429.484 2.789 0 40 IFAB Cn1c(NC2CCCC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C 9424574 BJHKUXNFUMUEPY-UHFFFAOYSA-N 432.322 2.599 0 40 IFAB COc1cc([C@H]2NC(=O)NC3=C2C(=O)N(CCCc2ccccc2)C3)cc(OC)c1OC 11665672 ASMCUSJPMRUNOQ-OAQYLSRUSA-N 437.496 2.795 0 40 IFAB COc1ccc(-c2cc(C(=O)NCCc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996982 ZWJSOPFBDXRRID-IBGZPJMESA-N 439.537 2.891 0 40 IFAB biogenic Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 12088673 UCBRKDWFYWJCAP-UHFFFAOYSA-N 426.484 2.843 0 40 IFAB O=C(c1c(F)cccc1F)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 12342397 LJSWDMMNDDUWNX-UHFFFAOYSA-N 428.482 2.680 0 40 IFAB CCCNC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12510715 LXEJMOHICDOHET-UHFFFAOYSA-N 427.910 2.504 0 40 IFAB CCOc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N(C)C 12690462 AWKNBKZCJGTLLR-UHFFFAOYSA-N 445.541 2.644 0 40 IFAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NCc1ccccc1 12709908 ANLXODKEWHSJIU-UHFFFAOYSA-N 436.512 2.573 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1OC 12915327 GMFDMLDGIFEHKQ-VQHVLOKHSA-N 427.476 2.639 0 40 IFAB Cn1c(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)nnc1C(F)(F)F 12923809 ASRIQYQWYPPWIZ-VMPITWQZSA-N 425.480 2.784 0 40 IFAB O=C(Cn1cnc2sc3c(c2c1=O)CCSC3)c1c[nH]c(C(=O)N2CCCC2)c1 13000291 QMDWCSBXWCGDKN-UHFFFAOYSA-N 428.539 2.694 0 40 IFAB CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 13041674 OCEFLWBSOZETIG-UHFFFAOYSA-N 443.447 2.646 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 13057663 RVWWHTDLHQALQD-UHFFFAOYSA-N 444.553 2.610 0 40 IFAB O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 13149394 UCWAFPKSDIPGHA-NHCUHLMSSA-N 433.476 2.969 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)c(F)c1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 13150521 DKTOKZDGYZKVIM-JOCHJYFZSA-N 443.494 2.741 0 40 IFAB CCc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 13505887 NHVXEKQETXQLBK-GOSISDBHSA-N 442.516 2.593 0 40 IFAB COC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 13688636 ZAWHMJKWRXYDBZ-UHFFFAOYSA-N 436.555 2.981 0 40 IFAB COc1cccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)c1OC 13734045 UASAJKZYTLTOBP-KNQAVFIVSA-N 440.521 2.948 0 40 IFAB CC(C)c1nc(N2CCC(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)ncc1-c1ccncc1 19451567 RFLVQNMFELZIOO-SFHVURJKSA-N 448.571 2.758 0 40 IFAB COc1ccc(C2=NN(C(=O)CCN3CCOCC3)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 19537516 VWFMYXJHRZRHJG-JOCHJYFZSA-N 433.512 2.972 0 40 IFAB COCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1 19592874 QGDMGNOWQPOAII-XMMPIXPASA-N 426.488 2.558 0 40 IFAB Cc1nc(C2CCN(C(=O)COC(C)C)CC2)nc2c1CCC(=O)N2Cc1ccccn1 19739322 BGSFRARVFZLMEZ-UHFFFAOYSA-N 437.544 2.790 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19741679 KMRCVLROYQKGME-HXUWFJFHSA-N 444.539 2.867 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc3ncccc3c2)ncc1C(=O)N1CCOCC1 19755754 PCVLQDJRJDVKBP-NRFANRHFSA-N 431.496 2.783 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)n1 19760864 SKVCVRHMVNDRSU-HXUWFJFHSA-N 445.589 2.664 0 40 IFAB CC(C)Oc1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 20108351 RUXOCAHKUDAFMA-OAQYLSRUSA-N 432.542 2.750 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 20190233 WNGQGJYYMICTJR-UHFFFAOYSA-N 435.480 2.511 0 40 IFAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CC(=O)c2ccccc2)cc1OC 20722718 ZIQUHMKUXMMOHY-UHFFFAOYSA-N 433.464 2.606 0 40 IFAB COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c(F)cc1F 22889530 QSISLYIFVXTWCZ-UHFFFAOYSA-N 438.861 2.726 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 25055106 ZQYFONXLCYTYTM-INIZCTEOSA-N 444.507 2.870 0 40 IFAB COC(=O)C1(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CCCCC1 25172176 PIUHDQINIXCXFJ-QHCPKHFHSA-N 437.496 2.599 0 40 IFAB CCc1nc(N2CCN(C(=O)COc3ccccc3Cl)CC2)c2c(n1)c(C)nn2C 28559413 CLFGONAWGFXXFZ-UHFFFAOYSA-N 428.924 2.615 0 40 IFAB CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NCCS(=O)(=O)O 31456933 IYNIXDBLAVOMAW-UHFFFAOYSA-N 425.890 2.732 0 40 IFAB Cc1cc(=O)c(C(=O)NCc2ccc(Cn3cncn3)cc2)nn1-c1ccccc1Cl 32868962 VYJITMJKCHAZBV-UHFFFAOYSA-N 434.887 2.764 0 40 IFAB O=C(NCc1ccc(-n2ccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 38756701 SDWTWRWSNPMJOL-UHFFFAOYSA-N 438.553 2.731 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 39985348 WCEYDXYTHOVYKZ-UHFFFAOYSA-N 441.303 2.827 0 40 IFAB Cc1cc(CN2CCN(C(=O)c3occc3CS(=O)(=O)c3ccccc3)CC2)on1 40018266 RXPVTIMENUZYFN-UHFFFAOYSA-N 429.498 2.508 0 40 IFAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 48301238 ZRTCZEZRXFZITE-QGZVFWFLSA-N 447.513 2.540 0 40 IFAB CCCCCCn1c(N2CCN(Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952444 NVCJKFCUUULVLX-UHFFFAOYSA-N 438.576 2.634 0 40 IFAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2)c1=O 67205337 ODYJQMDXJYIDLL-UHFFFAOYSA-N 435.505 2.598 0 40 IFAB Cc1ccnn1CCC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325508 AVYASBXMMKPRFX-JOCHJYFZSA-N 443.935 2.568 0 40 IFAB COC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 72369635 UGZOMEUVIUXDKI-MAUKXSAKSA-N 443.592 2.792 0 40 IFAB CCn1nnnc1-c1cccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 83836983 LDXMDOFIFRAAIV-UHFFFAOYSA-N 445.266 2.902 0 40 IFAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 89274602 AYMWCYMPGOMMCH-BLVKFPJESA-N 441.937 2.573 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 96120418 WLPQASZXFHHJJI-RMKNXTFCSA-N 447.513 2.688 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC1CCN(Cc3ccccc3)CC1)C=C2 96232303 IIBJVVOQJNKEOB-UHFFFAOYSA-N 449.551 2.840 0 40 IFAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3SC(=O)NC3=O)CC2)on1 100743727 XDTLGTTWDQUKPN-JKIFEVAISA-N 443.529 2.880 0 40 IFAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccccc1OC 139114781 WLZUNKFCSNMBFW-UONOGXRCSA-N 425.489 2.612 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCCc3ccccc32)Oc2ccccc21 218797031 ZEPKBSQDIAYNNU-JOCHJYFZSA-N 443.569 2.563 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220255065 RRECMJRRGDAVQW-JTQLQIEISA-N 430.313 2.886 0 40 IFAB COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1Cl 222947549 YUZOHCCDVXNNDP-UHFFFAOYSA-N 437.949 2.845 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)s2)cc1 223480403 NJIYMHDXWKWGIU-UHFFFAOYSA-N 449.533 2.904 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 223715013 ZHMPZBBNIDGJGY-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccccc2)s1 223918342 HKUXZBLJLMQWRM-CQSZACIVSA-N 432.527 2.845 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCCN(C)C)c2)cc1 224351343 LYHCHMAAHDRNNS-UHFFFAOYSA-N 439.965 2.855 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224995496 GBIQWYVIQGWIQC-OAHLLOKOSA-N 437.949 2.970 0 40 IFAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2CCC[C@@](O)(c3cccc(F)c3)[C@H]2C1 248010271 DKKXFFQNPBTVFF-IYJAJMOOSA-N 427.929 2.829 0 40 IFAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccc(N3CCCC3=O)cc1)CC2 257232896 GMXMDEJZAXCPHQ-IBGZPJMESA-N 448.571 2.539 0 40 IFAB Cc1nc2cc([C@@H]3CCN(C(=O)C(C)C)C3)nn2c(C)c1CCC(=O)NCc1ccccn1 257285658 PIDQFFSRJYJEPZ-LJQANCHMSA-N 448.571 2.962 0 40 IFAB Nc1ccc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1 257307498 SYWSDIPQBZNHEI-LJQANCHMSA-N 427.892 2.876 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2c3ccccc3C[C@H]2C)cc1 260773018 YOWJFRCNIFNRMS-QGZVFWFLSA-N 447.626 2.987 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(OC)c4)C[C@@H]2C3)cc1 306141028 VJHNNBAGNOQEGT-ROUUACIJSA-N 433.512 2.852 0 40 IFAB C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408675662 BKEZGBOKVZQDEC-SJSQBETGSA-N 430.504 2.562 0 40 IFAB O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408973520 SYCPDKSYKKHNSI-UHFFFAOYSA-N 438.347 2.561 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)C[C@@H](c1ccsc1)n1cccc1)[C@@H](C(N)=O)C2 1565519022 CLTIPNWMUFLWQO-RBUKOAKNSA-N 439.537 2.985 0 40 IFAB biogenic COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NCc3ccco3)n2)cc1 1358059 NAUKWDVSWAFCSE-UHFFFAOYSA-N 432.440 2.510 0 40 IFAB aggregator C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1 3238909 RMZJPIPKOPDBIL-KRWDZBQOSA-N 441.553 2.569 0 40 IFAB O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc21 3959033 AOUWQUSRMDJTJV-IBGZPJMESA-N 428.510 2.796 0 40 IFAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1cc(OC)cc(OC)c1 6904858 NVWCNMNUCGMYON-LJQANCHMSA-N 427.457 2.516 0 40 IFAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1 8708349 IVFXVTAERCHNSK-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccccc2F)c1 9583900 NCPVVXKZBIPCDP-UHFFFAOYSA-N 448.564 2.860 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(C)noc2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 9591581 RTXUTDBEUVPDDZ-KRWDZBQOSA-N 433.848 2.973 0 40 IFAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9671992 ZBXRJIHPGDOENY-MRXNPFEDSA-N 429.542 2.635 0 40 IFAB COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5cccc(C)c5)c(=O)n(C)c4nc23)cc1 9829389 SLKZAVPQZHRNLG-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB O=C(NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21)c1ccccc1F 11665948 BZNXZQXMCZFJNK-UHFFFAOYSA-N 445.502 2.722 0 40 IFAB Cc1nc2cc(C3CCN(C(=O)[C@H](C)n4ncc5ccccc5c4=O)CC3)nn2c(O)c1C 12134063 HHUQNTXNIPBQCM-INIZCTEOSA-N 446.511 2.729 0 40 IFAB COc1ccccc1NC(=O)CCn1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 12391361 RFXLGTJKBBGXAP-UHFFFAOYSA-N 443.525 2.650 0 40 IFAB CN(CCNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 12613459 TYMIULHOCYOPDJ-UHFFFAOYSA-N 445.463 2.506 0 40 IFAB C[C@H]1CCCN(c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2Cc2ccco2)C1 12945610 PJGZKFKEFCXDFS-AWEZNQCLSA-N 434.566 2.872 0 40 IFAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12994882 GIMUCJZKZRWHQF-UHFFFAOYSA-N 444.553 2.826 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(Cl)c1 12996231 WULQXBBNUJDXRJ-UHFFFAOYSA-N 435.354 2.995 0 40 IFAB NC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 13128021 OUDUUEKWKHFMLR-OAHLLOKOSA-N 449.964 2.804 0 40 IFAB COc1ccc(CN(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 13577107 RDHGPTMNXYTOSW-UHFFFAOYSA-N 440.477 2.662 0 40 IFAB Cc1nc2nc(=S)[nH]n2c(C)c1CCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 14235141 XZFJLRJGVMJHSD-UHFFFAOYSA-N 438.435 2.509 0 40 IFAB CC(C)(C)N1C[C@H](C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)CC1=O 19082846 YQTOAJYVRZJZLP-OAHLLOKOSA-N 438.557 2.832 0 40 IFAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCCN1CCOCC1)C(=O)O3 19565683 YGJOMDQUALMMRV-UHFFFAOYSA-N 425.464 2.905 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 19568241 RVHHERGHBZPNMY-QFIPXVFZSA-N 430.512 2.601 0 40 IFAB COCc1ccc(C(=O)N2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)cc1 19693379 GQQUMYFXGGKSFQ-FQEVSTJZSA-N 432.480 2.603 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(C(=O)c1cccnc1)C2 19695747 PHMVRJHCNGJVLK-HXUWFJFHSA-N 446.486 2.534 0 40 IFAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)CCc3ccc(F)cc3)n2)CC1=O 19700948 OEACCOCLJAJBAI-SFHVURJKSA-N 441.551 2.997 0 40 IFAB O=c1oc2cc(OC[C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc2c2c1CCC2 19909144 RFPWAMWRGZQAEG-IBGZPJMESA-N 438.499 2.983 0 40 IFAB C[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20437934 IYPVZFJEAKGERD-LBPRGKRZSA-N 429.546 2.720 0 40 IFAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cc(Cl)ccc4C)c(=O)c3s2)CC1 21886389 NQCFEOSDUDNFOZ-UHFFFAOYSA-N 446.964 2.595 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1F 22000829 WSRBSKXUMKSWGG-DMZKTXOQSA-N 433.480 2.753 0 40 IFAB O=c1cc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nc2sccn12 22848938 SPXFUBDCVUNZGI-UHFFFAOYSA-N 442.932 2.777 0 40 IFAB C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 22915510 BULUQSAMOXKEFY-AWEZNQCLSA-N 446.901 2.926 0 40 IFAB Cc1cc(C)cc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 24839930 DHDZHCFTNLQMBR-UHFFFAOYSA-N 429.542 2.555 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 27502002 CPHOXFBKWWTULN-QGZVFWFLSA-N 449.523 2.714 0 40 IFAB CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 29335614 XGTZROLFFPXQBA-UHFFFAOYSA-N 441.919 2.680 0 40 IFAB O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)CN1CCc1ccccc1 32676089 MLUSKKPHYPJWNG-LJQANCHMSA-N 439.943 2.716 0 40 IFAB CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2cccs2)CC1 35315443 KHFPPPOCFFQLBF-SFHVURJKSA-N 433.961 2.870 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H]2C(=O)O 35898190 YWBPPUGIRVBOCM-DVRVPYBTSA-N 426.513 2.753 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccc(F)cc1 36549462 OSZHONIIAPGUHY-UHFFFAOYSA-N 427.501 2.924 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc(F)c(Cl)c1 44847156 DXUMTEUJWOPGDX-UHFFFAOYSA-N 436.896 2.747 0 40 IFAB CCn1cc(C(=O)NCc2ccc(F)cc2F)c(S(=O)(=O)N2CCC(C)CC2)n1 49400647 ZGMGLHNRSNQVJU-UHFFFAOYSA-N 426.489 2.532 0 40 IFAB Cn1cccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 49622805 BPDDOVHNTINGDF-UHFFFAOYSA-N 447.491 2.530 0 40 IFAB CC[C@]1(C)CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 72303163 FPVWKMPKADTQRU-JOCHJYFZSA-N 436.574 2.897 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)COC(C)C)nc32)c1 72371026 AKFUTZJUGVQFGG-UHFFFAOYSA-N 426.517 2.656 0 40 IFAB Cc1cc(C)nc(N2CCN(CCCCN3C(=O)[C@@H]4CC[C@@](C)(C3=O)C4(C)C)CC2)n1 100670969 HRJSJJLFINLRSD-CYFREDJKSA-N 427.593 2.807 0 40 IFAB COCCn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(OC)ccc21 100873159 JPMTTZKNEFACHX-FCQUAONHSA-N 439.493 2.752 0 40 IFAB COC(=O)Cn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cc(NC(C)=O)ccc21 100876897 UEVFENVSNFUKLA-LNVKXUELSA-N 443.481 2.593 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(I)cc2)cc1 113877837 HTHQYRNYOUXAMV-UHFFFAOYSA-N 431.251 2.880 0 40 IFAB CSc1nnc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)s1 223940907 GUDGWDLJVGZKSM-UHFFFAOYSA-N 440.616 2.873 0 40 IFAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1 225411338 HLTIRFVVPLOXKB-RBUKOAKNSA-N 427.555 2.969 0 40 IFAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 225663859 FWNXETHXFYVTPO-UHFFFAOYSA-N 427.464 2.802 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 238909857 SCWHNHMIDJXOIR-UHFFFAOYSA-N 436.965 2.965 0 40 IFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)CC1 390830203 JLWFWGXUNSKXGU-ZDUSSCGKSA-N 431.459 2.666 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N(CC)CC)S(C)(=O)=O)cc1 408629425 AZJLOSATFDQDQS-UHFFFAOYSA-N 447.557 2.972 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 408653816 AUEKLIQKCVHEDE-QDGJQWLKSA-N 446.459 2.802 0 40 IFAB C[C@@H](NC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)c1cccc(S(N)(=O)=O)c1 503888823 CAKSEHBTEWGXQU-CYBMUJFWSA-N 439.484 2.926 0 40 IFAB O=C(NCc1cnc2n1CCCC2)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 551795352 CRJKWOGQKPQZPY-QGZVFWFLSA-N 431.334 2.903 0 40 IFAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 585292248 ZHVNAPYOZXZBSY-QUCCMNQESA-N 442.865 2.625 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)COc2cccc(N(C)C)c2)Cc2ccccc21 643553612 BQJHIWPLUKMPFQ-UHFFFAOYSA-N 438.572 2.849 0 40 IFAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)CN(C)C)Cc3ccccc31)N2Cc1ccncc1 643577586 VTJQVJDMNBXFRD-RPWUZVMVSA-N 449.599 2.762 0 40 IFAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 1775965506 AMEBWZLRYACZIS-QGZVFWFLSA-N 449.463 2.553 0 40 IFAB COC[C@@H](C)n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc2c1=O 2628347 DOJBMILZXLGWJQ-OAHLLOKOSA-N 425.510 2.582 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccccc1N1CCOCC1 3363596 SCJXIAGRDWPMIS-UHFFFAOYSA-N 449.598 2.941 0 40 IFAB COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCc2ccccc21 6194978 GEXRTHIGMQQVQK-JOCHJYFZSA-N 430.512 2.930 0 40 IFAB COCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccccc2c1=O 6905326 ZCBKRTONFIKPRC-UHFFFAOYSA-N 427.482 2.560 0 40 IFAB COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 8601838 WOWRZEPIFOMITM-UHFFFAOYSA-N 439.493 2.891 0 40 IFAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cc1 8720604 DKNDUZPEDIUOIW-UHFFFAOYSA-N 431.558 2.866 0 40 IFAB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 9396756 PBZCPARHETWLIX-HNNXBMFYSA-N 441.427 2.833 0 40 IFAB CCN(C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 9429431 CGXMJYICEXVMJR-MKCGOYBRSA-N 448.566 2.705 0 40 IFAB CCCCCNc1nc2c(c(=O)n(Cc3ccc(Br)cc3)c(=O)n2C)n1C 9471406 QIXKXYJRWYBVJD-UHFFFAOYSA-N 434.338 2.847 0 40 IFAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9672640 NICSHCLYCYSBTC-UHFFFAOYSA-N 448.501 2.617 0 40 IFAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nc2ccccc2c(=O)[nH]1 10209866 ZVODDDFZBICPCS-CYBMUJFWSA-N 447.538 2.690 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11906930 VJQMVDLPNBCPNY-INIZCTEOSA-N 426.498 2.874 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCOc3cccc4cccnc34)ccc21 12371825 KVYMUERLKURYPT-UHFFFAOYSA-N 425.510 2.756 0 40 IFAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)cc1Cl 12374587 AUTNKQORQLQPBV-UHFFFAOYSA-N 430.313 2.730 0 40 IFAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 12696412 RJEFWYDMCBHJSE-DJKDLEHESA-N 432.517 2.774 0 40 IFAB COc1cc(OC)c(OC)cc1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 12844530 IEZZLPLERCTKCK-UHFFFAOYSA-N 431.470 2.873 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc2c(c1)OCO2 13572843 OQOOMCLYNQYSQQ-HIFRSBDPSA-N 428.535 2.897 0 40 IFAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1 13705729 HFMDSHKZGOIZOU-MRXNPFEDSA-N 433.468 2.762 0 40 IFAB CCc1ccc(-c2nn(Cc3ccccc3)cc2CNC[C@@H](O)CN2CCOCC2)cc1 13987355 MHOAQGGSCVBCDP-RUZDIDTESA-N 434.584 2.944 0 40 IFAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 14105503 GNROZOWMCLSMLM-UHFFFAOYSA-N 443.447 2.680 0 40 IFAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)C1 15520274 RHYNHFPLNYMDFH-MRXNPFEDSA-N 436.555 2.893 0 40 IFAB O=S(=O)(CCCCCCS(=O)(=O)Nc1cccc(O)c1)Nc1cccc(O)c1 16399491 SPKZEZAGRSMUIE-UHFFFAOYSA-N 428.532 2.842 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)N4CCCC4)C3)cc2N1 19451399 HITRSAAUIWNPSX-OFQRWUPVSA-N 435.516 2.957 0 40 IFAB COc1cccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1 19497298 LHNVYBIZWLCQSN-CALCHBBNSA-N 440.544 2.616 0 40 IFAB COc1cc(CC(=O)N2CCC(c3cc4cccnc4c(=O)[nH]3)CC2)cc(OC)c1OC 19549616 VLIYITMPQPVXTG-UHFFFAOYSA-N 437.496 2.898 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(C(C)C)C2 19572185 MUESHGYLFHQQJZ-IBGZPJMESA-N 439.560 2.632 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699972 XMVQYXGRBVTIMJ-HXUWFJFHSA-N 440.588 2.653 0 40 IFAB COCCn1nc(C(=O)N[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)ccc1=O 21708818 QOLSLWMEOKLGMF-JOCHJYFZSA-N 437.496 2.621 0 40 IFAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2F)CC1 22019316 KMLKOFODPFYLQP-IBGZPJMESA-N 426.536 2.807 0 40 IFAB CCOc1ccc(CCCNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 22336318 FGFWOIZGSQKWPY-UHFFFAOYSA-N 434.558 2.917 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 22385921 BUHINJUYCFAUKV-OAHLLOKOSA-N 448.445 2.953 0 40 IFAB COc1ccc(-n2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2-n2cccc2)cc1 22569568 ACVXHMWJCIPFSC-UHFFFAOYSA-N 445.479 2.863 0 40 IFAB C1CCc2nnc([C@H]3CCCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)C3)n2CC1 24055859 HXQAJBWBHQUMLV-SFHVURJKSA-N 437.596 2.774 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)NCCSc3ccccc3)C2=O)cc1 24105656 NQQOGDDGKZMTMT-HSZRJFAPSA-N 441.553 2.847 0 40 IFAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)C1 24146526 GWWUVHUVVVAMOI-OAHLLOKOSA-N 441.582 2.736 0 40 IFAB COC(=O)COc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 24950171 CTGIIXFGKRHBTQ-UHFFFAOYSA-N 434.404 2.880 0 40 IFAB Cc1cc(N2CCN(C(=O)CN3C(=O)CSc4ccccc43)CC2)nc(C(C)C)n1 27016932 GGNJLUNYKWKVAE-UHFFFAOYSA-N 425.558 2.696 0 40 IFAB NC(=O)c1cc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)ccc1Cl 28258698 PVXBVBMVRALWPB-UHFFFAOYSA-N 433.667 2.700 0 40 IFAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Br)c2)CC1 28467084 CNCCCISQDIGNMQ-UHFFFAOYSA-N 438.347 2.638 0 40 IFAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(C)(=O)=O 30850807 VVGASHUONRSJCY-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 31390952 KKFYJHYZLHLJTL-HSZRJFAPSA-N 438.572 2.856 0 40 IFAB CCCNC(=O)c1nc(-c2ccc(OC)cc2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 35682978 XQDCSZLVAFVZPB-INIZCTEOSA-N 442.541 2.915 0 40 IFAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@H]2CCCN21 35780393 JEFJLBXDTAVNAR-NAZDKBRTSA-N 431.492 2.743 0 40 IFAB biogenic C[C@H]1c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c2O[C@@H]1C 36387061 UUILXVLLKFPRLU-HZPDHXFCSA-N 429.542 2.759 0 40 IFAB COc1ccc(Nc2cc(C)nc(NCCNS(=O)(=O)c3c(C)noc3C)n2)cc1 38670743 UQQHCDNVTXFJAI-UHFFFAOYSA-N 432.506 2.532 0 40 IFAB COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C 40131250 CVWLAGTXUNGVHF-MRXNPFEDSA-N 425.489 2.849 0 40 IFAB CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)ccc1Cl 40151956 ZEVMFLFXVIYUHF-GTJPDFRWSA-N 434.924 2.775 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)NCc1ccc(F)cc1 57426765 DHVWNIZDTYZIMT-UHFFFAOYSA-N 441.459 2.868 0 40 IFAB Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)N5CCCC[C@H]5C)nc34)n2)cc1 57503537 ROVCIKQUJFUXPT-MRXNPFEDSA-N 432.484 2.922 0 40 IFAB Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)C(F)(F)F 95415342 OFZUBITULZFRCQ-HNNXBMFYSA-N 430.452 2.849 0 40 IFAB Cc1ccc(Cl)c(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1Cl 95469787 SCXGGKONEYKQLS-UHFFFAOYSA-N 427.376 2.870 0 40 IFAB O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 95481533 HRBKTQUEPKYOCC-JKSUJKDBSA-N 447.586 2.698 0 40 IFAB CO[C@@H]1CCN(c2cc(C(F)(F)F)nc3ncnn23)[C@H](CNC(=O)OC(C)(C)C)C1 96005720 LPDJPVGLTUFRRF-NWDGAFQWSA-N 430.431 2.652 0 40 IFAB CN1C(=O)C2(CCN(c3ncccn3)CC2)CC12CCN(C(=O)Nc1ccccc1)CC2 96143686 DMBNUPOKRXWOFW-UHFFFAOYSA-N 434.544 2.992 0 40 IFAB CNC(=O)NC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 97998273 HZCGFGHYFHXVRA-LDADJPATSA-N 438.509 2.623 0 40 IFAB CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)s1 222788689 IKVANDYBESRAER-UHFFFAOYSA-N 448.964 2.818 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224106627 AZNHDCZCVHQYSD-NRFANRHFSA-N 445.585 2.705 0 40 IFAB O=C(NCCOc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 224372321 ZJOHPKVEIHYFCM-UHFFFAOYSA-N 428.963 2.997 0 40 IFAB O=C1CO[C@@]2(CCCN(C(=O)c3ccc(-n4cccn4)nc3)CC2)CN1Cc1ccccc1 257309166 TZVIEAKULXUXJU-RUZDIDTESA-N 445.523 2.691 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)c1 260593102 WHHXXAKTJHCHAA-IAGOWNOFSA-N 434.558 2.996 0 40 IFAB Cc1nc(CN2C[C@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@H]3C2)cs1 306140062 UILRXKMTJBIQOX-LEWJYISDSA-N 439.585 2.624 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1 408923396 CHPMPYTXXBBFRM-OAHLLOKOSA-N 426.560 2.882 0 40 IFAB CC(=O)N1CCC(CC(=O)NCCc2cccc(F)c2)(N2Cc3ccccc3C2=O)CC1 1548348305 KXBLJKTUYCNICS-UHFFFAOYSA-N 437.515 2.912 0 40 IFAB O=C(c1cc2ccccn2c1)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972252 FMXGWADMCQYOKB-UHFFFAOYSA-N 429.406 2.748 0 40 IFAB O=C(Cn1c(S)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(F)cc1 1889260056 RONFLBWNKDZOGN-HNNXBMFYSA-N 425.489 2.861 0 40 IFAB CCOC(=O)c1[nH]cnc1C(=O)N1CCO[C@@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037835867 DOQMELZYKWJFQA-CQSZACIVSA-N 442.501 2.704 0 40 IFAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)cc2)c2c(n(C)c(=O)n(C)c2=O)N1 959868 UXIDXYARSCXJMA-IBGZPJMESA-N 435.455 2.798 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)N2CCCCC2)cc1 3359462 KFLVJPKNHSCIEK-JOCHJYFZSA-N 445.585 2.903 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)C2=O)cc1 8643488 GORZVTBMYRPZHW-OAQYLSRUSA-N 438.875 2.635 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1-c1nccs1 9244862 ZKSOCFMWTGRLQT-JOCHJYFZSA-N 436.493 2.963 0 40 IFAB O=C(OCC(=O)c1ccc(OC(F)F)cc1OC(F)F)c1cccc(-n2cnnn2)c1 9254405 DDNVTRIJVRUKMG-UHFFFAOYSA-N 440.309 2.905 0 40 IFAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)cc1OC 9262279 JAKQDUVMHAJTGF-RBUKOAKNSA-N 425.441 2.783 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1OC 9263290 CIDRFWLFMPDICO-UHFFFAOYSA-N 444.488 2.876 0 40 IFAB CCOc1ccc(-c2nc(SCCN(CC)CC)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 9517536 FUZDLLZIWZYVTK-UHFFFAOYSA-N 443.573 2.527 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2c(C)cccc2C)cc1 9806254 FSAWJYYJBAHSAQ-SFHVURJKSA-N 429.542 2.520 0 40 IFAB CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807338 HVFIHJIAHRGIPK-FQEVSTJZSA-N 443.569 2.774 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 11170097 HGQRBUDNMXFHCG-QGZVFWFLSA-N 432.542 2.906 0 40 IFAB COc1cc(C(=O)OCc2ccc(F)cc2Br)cc(OC)c1OCC(N)=O 11469992 RLVGWJYBZNAAAW-UHFFFAOYSA-N 442.237 2.827 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 11698109 YKGFAVOKGGYNBI-UHFFFAOYSA-N 445.541 2.840 0 40 IFAB CCCO[C@@H]1CCCN(CC(=O)N2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 12235945 STNNVXVUQYJFFX-WOJBJXKFSA-N 430.593 2.567 0 40 IFAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(CCC(N)=O)n2C)o1 12809568 CHWFNWSASBCYEV-UHFFFAOYSA-N 425.474 2.539 0 40 IFAB CCCCn1c(N)c(N(CCC(C)C)C(=O)C[C@@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O 12927191 BIOYOQZOHLVKRT-KRWDZBQOSA-N 442.516 2.600 0 40 IFAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnnn1-c1ccc(Cl)cc1 13097048 WTWNQXQUHVGDMV-UHFFFAOYSA-N 434.884 2.644 0 40 IFAB O=C(c1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 14185155 IMZZHSWXIRHIGQ-UHFFFAOYSA-N 445.285 2.874 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(Cn3nc4nc(C)cc(C)n4c3=S)CC2)cc1 14234480 ZKBDTTBYPIDNFF-UHFFFAOYSA-N 446.602 2.540 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCCc2ccccc2OC)cc1 15391105 JPXCIVNBLNMERB-LJQANCHMSA-N 446.569 2.996 0 40 IFAB COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 15780566 XHSDVDIFHVOCTL-UHFFFAOYSA-N 436.555 2.915 0 40 IFAB CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5)CC4)ncnc32)cc1 15884073 MDMJHVUEGLVYNQ-UHFFFAOYSA-N 429.484 2.572 0 40 IFAB C/C(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O 17028957 YTELKZBHHVHNID-NBVRZTHBSA-N 437.500 2.581 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 17823716 ODWOKVLCQOARLV-DLBZAZTESA-N 445.273 2.960 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19528365 MBLCNGGJUHMXEY-LVXARBLLSA-N 448.567 2.514 0 40 IFAB COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2cn(C)nc21 19701588 KAWFWBOOHQZQBK-GOSISDBHSA-N 440.525 2.664 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 19710848 XEPBQTDLOULUML-FQEVSTJZSA-N 441.507 2.695 0 40 IFAB Cc1cc(=O)n(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)c2ccccc12 19760343 WIOLDCJPUPDLBG-FQEVSTJZSA-N 448.571 2.639 0 40 IFAB CCc1nc(NC(=O)CN2CCC(c3ncc(C(=O)N(C)C)c(C)n3)CC2)sc1C 19766466 QAGPSIUQMOJZLI-UHFFFAOYSA-N 430.578 2.632 0 40 IFAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCCCN1CCOCC1 19920700 ILVMGQSPEXPWBI-RUZDIDTESA-N 446.551 2.860 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc2c3c(cccc13)CC2 23041465 GYQFEBAIQYHNMM-UHFFFAOYSA-N 436.533 2.889 0 40 IFAB CN(CC(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O)c1ncccn1 23199609 WSSBTIURDMFHQV-QFIPXVFZSA-N 444.919 2.606 0 40 IFAB O=C(CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1F 24896637 YGWFEOWAWFEJFR-UHFFFAOYSA-N 443.903 2.953 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2sc(-c3ccccn3)nc2C)c1 25127375 KIRZVNDYSOQHFC-UHFFFAOYSA-N 430.555 2.839 0 40 IFAB Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)Nc3ccccc3N3CCCC3=O)C2)n1 40149582 YKQXGZRXGMZYBQ-GOSISDBHSA-N 435.528 2.806 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cc1 44857318 IJKZWSLHGZVBSB-GOSISDBHSA-N 445.585 2.762 0 40 IFAB CSc1nc2ncc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)c(C)n2n1 54202039 JEMUYHNPZMZBJG-UHFFFAOYSA-N 432.557 2.934 0 40 IFAB COCCOCCCNC(=O)c1cccn1-c1cccc(I)c1 58255747 YMKDYZZHFVEDBO-UHFFFAOYSA-N 428.270 2.865 0 40 IFAB COc1cccc(-n2ccn3c(SCC(=O)Nc4ccc(F)cc4F)nnc3c2=O)c1 64593695 POCKLDJMRKBXBN-UHFFFAOYSA-N 443.435 2.898 0 40 IFAB Cc1ccnn1CCC(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325511 AVYASBXMMKPRFX-QFIPXVFZSA-N 443.935 2.568 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc(Nc2cnccn2)n1 72376356 WSYCVZZJEJXDQA-INIZCTEOSA-N 426.502 2.853 0 40 IFAB CC(=O)Nc1ccc(OCC(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1C 72393301 QCHIQGPWNHAKMU-UHFFFAOYSA-N 437.496 2.516 0 40 IFAB Cc1cc(CN2CCc3nc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)[nH]c(=O)c3C2)cs1 72398975 LQZSTGWFTIEAIT-FQEVSTJZSA-N 442.585 2.583 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(OCCCO)CC3)c2)cc1 79100691 DYWYWIXSJBQTKT-UHFFFAOYSA-N 432.542 2.799 0 40 IFAB COc1cc(-c2c3sc(=O)[nH]c3nc3c2c(=O)[nH]n3C(C)C)c(OC)c2c1OCO2 85412496 AVNUQEVZVWHPHU-UHFFFAOYSA-N 430.442 2.621 0 40 IFAB C[C@@H](NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1)c1ccccc1 90610062 DKMHJSUQUOXYNV-CQSZACIVSA-N 428.539 2.861 0 40 IFAB CCn1c(COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)nc2cc(S(=O)(=O)N(C)C)ccc21 102955504 QOYCCOCBSDAOJH-GJZGRUSLSA-N 447.557 2.745 0 40 IFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 103198721 QWQVVCYMLAIGSD-HUUCEWRRSA-N 449.488 2.646 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 104874184 XFGCKMHBTHYXGS-FGCYHADGSA-N 447.535 2.771 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)c1cccc(S(=O)(=O)N2CCCCC2)c1 219987153 KAOXOPOCLREFRS-UHFFFAOYSA-N 426.498 2.841 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 220229663 BGZATMRWFUKXRE-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220451037 OVVMKUWHOIPDPZ-CYBMUJFWSA-N 439.484 2.896 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1cccc(C)c1)S(C)(=O)=O 220527240 YMOSUTUTOQQWFN-OAHLLOKOSA-N 434.543 2.968 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)CC1 222490834 JZSFPSXUDGBAPM-UHFFFAOYSA-N 437.949 2.707 0 40 IFAB COc1ccc(CCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1OC 222652549 YDDRKFDMLQBVEM-UHFFFAOYSA-N 438.521 2.748 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 223681585 CEIXSBTVWUYAHP-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCN(Cc1ccccc1)C(=O)CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 225613538 ITUMOMOTVHYCOU-UHFFFAOYSA-N 446.569 2.697 0 40 IFAB COCCN1C(=O)CCC[C@H]2CN(C(=O)c3ccc(OCCN4CCCC4)cc3)CC[C@H]21 257342338 ZOEMFGNMQVOGNN-JTHBVZDNSA-N 443.588 2.651 0 40 IFAB CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 408574331 LWKJCFXFJBXDFZ-UHFFFAOYSA-N 444.553 2.797 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575618421 VNKBIKLTTAYCJO-RDTXWAMCSA-N 436.530 2.629 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ocnc3C)CCO2)C1=O 643556312 IXBIEUAKTFXALX-XMMPIXPASA-N 441.528 2.848 0 40 IFAB CN(Cc1cnc2n1CCOC21CCN(C(=O)c2cccc(Cl)n2)CC1)CC1CC1 1565556423 TVAJHUHYACBEGT-UHFFFAOYSA-N 429.952 2.935 0 40 IFAB C[C@]1(c2cccc(C(=O)N3CCc4cc(F)cc(Br)c4C3)c2)NC(=O)NC1=O 1586622470 XPNGTYFLUYKLOR-HXUWFJFHSA-N 446.276 2.841 0 40 IFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 945118 OPEDKCJAUDJRCN-UHFFFAOYSA-N 436.449 2.945 0 40 IFAB CCOc1ccc(-c2nc3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 1481234 MFUOCFNSJUDMLN-UNOMPAQXSA-N 437.477 2.698 0 40 IFAB COc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)cc1 2095207 FNMKEBJWHKYPMV-JLHGSKIFSA-N 438.528 2.649 0 40 IFAB biogenic COCCCNC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc12 2258191 OWXFNODVXFYXFK-UHFFFAOYSA-N 435.484 2.939 0 40 IFAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 3365670 UIIBZKUQLHDZQU-UHFFFAOYSA-N 447.469 2.600 0 40 IFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(CNC(C)=O)o3)nnc12 3443163 SMEPDVBIJNFYIB-UHFFFAOYSA-N 439.497 2.658 0 40 IFAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1OC 9415568 FLXVLYWRPYHUMS-UHFFFAOYSA-N 426.458 2.836 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 9465966 MSFCMVJUJGWJLJ-LPHOPBHVSA-N 437.496 2.606 0 40 IFAB NC(=O)c1nn(CC(=O)Nc2cccc(/C=C/c3ccccn3)c2)c(=O)c2ccccc12 9469734 GKIMRGPYNPVIKD-VAWYXSNFSA-N 425.448 2.700 0 40 IFAB COc1cccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1 9531213 KZRWKCQZHQARLZ-UHFFFAOYSA-N 449.511 2.673 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 9608504 ATAILWRYOSXJJM-OWJWWREXSA-N 435.480 2.593 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(-c3ccccc3Cl)noc2C)NC(=O)N[C@H]1C 9639807 CGROAEBOTCBSMK-JTQLQIEISA-N 433.848 2.979 0 40 IFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 9639939 OLAKFUJMJAEKCJ-AWEZNQCLSA-N 426.897 2.780 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 9643053 BIVUSXXBHLIFJL-INIZCTEOSA-N 440.554 2.908 0 40 IFAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2N1 9645354 PLLLLBBXSJBFSM-UHFFFAOYSA-N 425.466 2.895 0 40 IFAB O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccccc2)CC1 9666633 WKFZRMQIMGOZIE-UHFFFAOYSA-N 427.482 2.881 0 40 IFAB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)[C@H]1CCCc2ccccc21 9884267 OSASQRIDCHXHTP-MHECFPHRSA-N 435.480 2.718 0 40 IFAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 9910761 RXFXTJXIARCRRO-ZDUSSCGKSA-N 446.558 2.552 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 9974280 BISLAVWXFUUIGZ-QGZVFWFLSA-N 446.525 2.911 0 40 IFAB COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S[C@@H](C)C(N)=O)nc2c1 10783860 HGJBEGHKHONWME-NSHDSACASA-N 431.901 2.851 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)ccc1OC 10793692 UCHZPNREYFAVJS-UHFFFAOYSA-N 443.477 2.555 0 40 IFAB COc1ccc(-c2cc(C(=O)NCc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11997003 QQCNIVYCBKHIHT-SFHVURJKSA-N 425.510 2.848 0 40 IFAB COc1cccc(OC)c1OCC(=O)N1CCCC[C@@H]1c1cc2nc(C)cc(O)n2n1 12161231 GTDOXCMAVKINRG-MRXNPFEDSA-N 426.473 2.893 0 40 IFAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 12976682 XCUUMPQDQBVBDH-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB CN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 13930298 SGIWWTBTKFSKCU-OAHLLOKOSA-N 448.595 2.733 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc3c(c2)OCO3)cc1 15391098 VGFDYBOAWJOFMH-INIZCTEOSA-N 432.498 2.996 0 40 IFAB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1Cl 15585385 DFNBPJCYUOMMKV-UHFFFAOYSA-N 428.869 2.948 0 40 IFAB COc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1OC(F)F 16964476 MFZRKSTWCGCARD-LJQANCHMSA-N 448.422 2.563 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 17190867 SRZKORXIEBJNJS-UHFFFAOYSA-N 427.888 2.946 0 40 IFAB COc1ccc(CN2C[C@@H](c3ccc(NC(C)=O)cc3)[C@@]3(CCCC(=O)N3)C2)cc1CO 19022621 QIGAPGLURXDTBC-WIOPSUGQSA-N 437.540 2.784 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccccc3)CC1)O2 19219032 IUCKHOXNRPRKKY-BCHFMIIMSA-N 449.551 2.616 0 40 IFAB O=C1C[C@H](C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)C2(CCCC2)O1 19292049 BOJXCDYHPGNIRR-CYBMUJFWSA-N 437.422 2.725 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cn2cncn2)C1 19449303 QQHAADAYFHIURT-HSZRJFAPSA-N 437.569 2.993 0 40 IFAB CCC(CC)N1CCc2nc3cc(C4CCN(C(=O)[C@H]5CCCO5)CC4)nn3c(O)c2C1 19500290 NANLFMZODHDAPE-OAQYLSRUSA-N 441.576 2.867 0 40 IFAB CCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527340 JCHHQGBCOQSDLM-HXUWFJFHSA-N 435.503 2.634 0 40 IFAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c1 19583850 XWMYRWIISGHUNS-UHFFFAOYSA-N 430.505 2.972 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCO1 19696772 NQFWXCFNAQRNLO-MRXNPFEDSA-N 439.541 2.673 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2CC(=O)Nc2ccc(F)cc2)n1 19709766 DMQRVNSMJBXIHQ-LJQANCHMSA-N 428.512 2.801 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CCN(CC(=O)N(C(C)C)C1CCCCC1)C2 19710647 QSGSZHMNLKEWSX-UHFFFAOYSA-N 428.625 2.913 0 40 IFAB CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccoc2C)c(=O)[nH]c1=O 20005705 QMBYDKLNBPENRA-UHFFFAOYSA-N 426.473 2.676 0 40 IFAB CC1(C)C[C@H](NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c2ccccc2O1 22368086 XQLNZVBKTRNYGS-INIZCTEOSA-N 432.498 2.600 0 40 IFAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)NCCCN1CCOCC1 23289044 AKZZHWAXHZXWGO-RUZDIDTESA-N 446.551 2.942 0 40 IFAB NC(=O)[C@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 23575721 WALDPVJXLMACPX-CRAIPNDOSA-N 436.917 2.511 0 40 IFAB Cn1c(CNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)nc2ccccc21 25402324 VMJFKWUDOGDXBT-HNNXBMFYSA-N 430.306 2.752 0 40 IFAB CCCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555919 HHYHKDLDMQZLAB-UHFFFAOYSA-N 440.525 2.602 0 40 IFAB Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 30857746 KYZGLNWEIQQSCA-QGZVFWFLSA-N 426.542 2.960 0 40 IFAB COc1ccc(OC)c([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)c1 31806786 QDSLVSSWSCCSFF-QGZVFWFLSA-N 437.485 2.639 0 40 IFAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1 32087460 DLMXZZLVNYORKF-NRFANRHFSA-N 443.525 2.617 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)cc(C(=O)OC)c1 37458319 KPXKEYGMVTYBJQ-BCXHYRKLSA-N 430.501 2.872 0 40 IFAB COc1ccc(-c2nnc([C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)o2)cc1 39983779 VAWPTLSCYRZNAB-OLZOCXBDSA-N 449.460 2.856 0 40 IFAB O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2O)CC1 40019872 QGDHUOSYZGMZHB-UHFFFAOYSA-N 426.494 2.922 0 40 IFAB CSc1ncc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)n1-c1ccc(F)cc1 40151639 IAYYOSANXPNAND-UHFFFAOYSA-N 440.548 2.810 0 40 IFAB COc1ccc(OCC(=O)Nc2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)cc1 41076498 IXGCAECDCMDHCK-UHFFFAOYSA-N 441.469 2.896 0 40 IFAB COC(=O)c1sccc1S(=O)(=O)NCC1CCN(Cc2cc(C)oc2C)CC1 43954336 RHZHUTFAJXIRKX-UHFFFAOYSA-N 426.560 2.935 0 40 IFAB COc1cccc(C[C@@H](C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 58014120 ADYOACDIOTUKFS-KNQAVFIVSA-N 448.527 2.651 0 40 IFAB C1=CC[C@H]([C@@H]2NC3=NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)CC1 59619751 KWRZLJDGRAGQCY-SIKLNZKXSA-N 435.576 2.610 0 40 IFAB O=C1COc2ccc(S(=O)(=O)N3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)cc2N1 72284605 WWMUAACROJLLRR-INIZCTEOSA-N 438.509 2.976 0 40 IFAB COc1cccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c1OC 72340580 HPYRYBLRJLYZKG-QFIPXVFZSA-N 440.519 2.980 0 40 IFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc5c(cc4Cl)OCO5)C[C@H]32)c(OC)n1 72392605 AQTGKQNVCQBGIL-QURLWZIUSA-N 433.892 2.606 0 40 IFAB CCC[C@H](CC(=O)O)NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 95989914 APQOMFJUGDRVES-SLZMIMFISA-N 426.535 2.545 0 40 IFAB O=C([C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1)N1CCN(c2ccc(F)cc2)CC1 96344332 MCOJHEKHIQNOMR-CQSZACIVSA-N 425.439 2.543 0 40 IFAB Cc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)c(Cl)c1 96998483 KFQYVTBFLGFCOJ-FQEVSTJZSA-N 447.988 2.933 0 40 IFAB CC(C)[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nc(-c2cccnc2)no1 100685008 UASLOHAFSWCJBV-SOLBZPMBSA-N 425.489 2.510 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@@H]3C2=O)cc1 101275117 ANIODPIJFNMOBY-IRXDYDNUSA-N 438.831 2.892 0 40 IFAB COc1ccc(-c2noc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)n2)cc1 219284933 LQPSZNMFOUNNFF-UHFFFAOYSA-N 436.877 2.700 0 40 IFAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220220544 FTFIVQCDIYEJAL-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 223721678 IHWGALAHFMYDQY-UHFFFAOYSA-N 446.569 2.814 0 40 IFAB Cc1ccc(CN(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 223732842 MMVKXYDLXCSXCD-RMKNXTFCSA-N 441.597 2.614 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O 224064373 NZKZBVRLZRBEHF-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB O=C(NCCOCc1ccccc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224385977 JLXVNZQUYOLNOV-QHCPKHFHSA-N 444.597 2.994 0 40 IFAB Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@@H]2CCC[C@](O)(c3cccnc3)[C@H]2C1 248340683 VIDGOZLQULOMTE-UVFQYZLESA-N 430.555 2.703 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)c(OC)c1 408655657 HZIHZWVWHDIOET-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 502702040 MUXFNMGNKGLMRF-IYBDPMFKSA-N 430.512 2.899 0 40 IFAB O=C(N[C@H]1CCN(c2ncccc2F)C1)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 540954632 NGDJKZYNWZWPGN-SJORKVTESA-N 439.470 2.511 0 40 IFAB Cc1nc(Nc2nncs2)cc([C@H]2CCCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585293249 YTZZRKYAWXEZCZ-WAVCKPEOSA-N 438.561 3.150 0 40 IFAB OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 604382141 HKGOKDZERDQGSS-MOUTVQLLSA-N 437.515 2.885 0 40 IFAB biogenic,in-vitro O=C(c1cccc(F)c1)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@H]2C1 1549160490 DXUZXKULSNJJSY-GOSISDBHSA-N 428.439 2.676 0 40 IFAB COc1ccc(C(C)(C)NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)cc1F 1618176638 JIEVXYLMYJLWFX-GFCCVEGCSA-N 426.535 2.787 0 40 IFAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1158566 KKCUGKFGLMOMPX-UHFFFAOYSA-N 427.320 2.759 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2652633 CDKBCHROXCQPOQ-UHFFFAOYSA-N 444.465 2.562 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(C)cc2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 2693771 DBIBABURPDLQRO-MOPGFXCFSA-N 445.566 2.717 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)c1 3321139 ROBMFWQZJWPHAR-SFHVURJKSA-N 434.489 2.778 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2nnc3ccccc3c2=O)sc2c1CC[C@@H](C)C2 3617807 UNDHRNRKVKQUNQ-GFCCVEGCSA-N 426.498 2.793 0 40 IFAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ncc(Cl)cc1Cl 6144361 YPCKKXIXFOIBBD-VIFPVBQESA-N 432.285 2.944 0 40 IFAB Cc1ccc2nc3c(cc(C(=O)NCC(=O)OC(C)C)n3Cc3ccccc3)c(=O)n2c1 9487529 YGKWWWIZVFKTAG-UHFFFAOYSA-N 432.480 2.687 0 40 IFAB CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)N3CCCCC3)c3ccccc32)CC1 9519847 DSGVEYWGUFHZSD-UHFFFAOYSA-N 445.585 2.686 0 40 IFAB CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)NC(C)(C)C)c2ccccc21)C(C)C 9519939 POHOQHFOAIAZIZ-UHFFFAOYSA-N 435.590 2.975 0 40 IFAB C[C@@H]1CCCN(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCC[C@@H](C)C2)C1 9583675 CXKZLXSRDCMLMA-IAGOWNOFSA-N 433.574 2.848 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1N1CCCC1 9670767 QCQQSLIGZZRPCY-UHFFFAOYSA-N 429.542 2.868 0 40 IFAB Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cn12 9672252 KMQVHJLQZNYPSF-HOTGVXAUSA-N 428.514 2.693 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)C(=O)OC)ccc2Cl)cc1 9672369 URQLPSUWTYNAIF-LBPRGKRZSA-N 440.905 2.831 0 40 IFAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C1=Cc2ccccc2OC1 9748837 VWACCSLVZWQGEK-UHFFFAOYSA-N 425.444 2.989 0 40 IFAB COc1ccccc1N(CC(=O)NCCCN1CCCCC1)S(=O)(=O)c1ccccc1 10277388 JRZAIQGPOWEKJD-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2)S(=O)(=O)c2cccnc2)cc1 11696067 ICHHCQZEMSNWDX-UHFFFAOYSA-N 441.509 2.928 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 12605860 GSUXBMPTBXRHID-UHFFFAOYSA-N 438.452 2.791 0 40 IFAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(S(N)(=O)=O)cc1 12629042 XSYVHFGLASSXON-CYBMUJFWSA-N 441.538 2.685 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCC[C@H]2CCCC[C@@H]21 12888201 VKUASLQPFNVVMI-OFNKIYASSA-N 445.629 2.663 0 40 IFAB CCn1c(SCC(=O)NCCCN2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 12908182 UHVCRKWYFJZAIH-UHFFFAOYSA-N 448.614 2.578 0 40 IFAB O=C(CCC(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCO2)Nc1nccs1 13501710 MPDISEDJNVDEPE-UHFFFAOYSA-N 444.513 2.683 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)c1ccc(Br)cc1 13647660 CPNOBJHIJJFHST-UHFFFAOYSA-N 446.411 2.597 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 13955788 OUFQLVZNDWUZPI-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB CN(CC(=O)NCc1ccc(NC(=O)C2CC2)cc1)S(=O)(=O)c1ccc(Cl)s1 14198974 FDZBHGHRTQDMIK-UHFFFAOYSA-N 441.962 2.687 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 14396546 INALVLPQXAPVCO-UHFFFAOYSA-N 433.549 2.716 0 40 IFAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 14519334 MCDLHKPTKONANY-UHFFFAOYSA-N 440.510 2.992 0 40 IFAB COc1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 16954141 OZULIABZQJANPT-UHFFFAOYSA-N 426.448 2.953 0 40 IFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 17099025 WXCCJTKEOOTJCM-AHRSYUTCSA-N 434.558 2.700 0 40 IFAB COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C 17579910 QOWRQPKFLLXCAN-FQEVSTJZSA-N 447.538 2.513 0 40 IFAB CNS(=O)(=O)c1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 18216135 FOPBWKXBFQRHKL-UHFFFAOYSA-N 436.843 2.504 0 40 IFAB Cc1ccc(N2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c(C)c1 19132593 KWLZQVAOXMDNQT-YADARESESA-N 443.613 2.870 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)s1 19217020 NESGWSKUKCQGBG-GOSISDBHSA-N 449.536 2.711 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccs1)C2 19463359 VTXAEANAAHESNQ-UKPHBRMFSA-N 426.542 2.740 0 40 IFAB NC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)c1ccc2c(c1)OCCO2 19696536 BNMFXHCOOBJMCA-DEOSSOPVSA-N 433.464 2.816 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(S(=O)(=O)c2ccccc2OC)C1 19702503 RNFBZFNVZXGYKB-ZDUSSCGKSA-N 431.539 2.843 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)ncc1C(=O)N1CCOCC1 19764102 PHUXTEPHMCLDAD-HXUWFJFHSA-N 445.523 2.825 0 40 IFAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C)C3 19939782 CFKKKUALHNBZGS-UHFFFAOYSA-N 431.539 2.709 0 40 IFAB CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O 20030530 SLIFLUJFEAZJPS-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2ccsc2n1 20977222 URQFQQWHOMEUDO-INIZCTEOSA-N 431.539 2.659 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1N1CCCC1=O 22523280 SNUCFASAOGITCE-UHFFFAOYSA-N 449.960 2.986 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[C@@H]1Oc2ccccc2NC1=O 24091749 HQQQCCSCUPWLDU-IBGZPJMESA-N 434.452 2.761 0 40 IFAB Cc1cccc(CN2CCN(C(=O)COC(=O)c3cc(Cl)c4c(c3)OCO4)CC2)c1 24223389 VDNWWHYQWRIQAU-UHFFFAOYSA-N 430.888 2.878 0 40 IFAB CCOc1ccc(-c2nc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cs2)cc1OC 27589884 FFUBEQOLWQINPW-UHFFFAOYSA-N 449.554 2.678 0 40 IFAB Cc1cc(I)ccc1NC(=O)CSc1nc(O)c2c[nH]nc2n1 30587823 IFPZWZDXOBBYIW-UHFFFAOYSA-N 441.254 2.702 0 40 IFAB CC(C)c1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 30958587 NEFHARVNEXKPSL-UHFFFAOYSA-N 447.576 2.914 0 40 IFAB COc1cc(C(=O)NCc2cccnc2N2CCOCC2)cc(OC)c1Br 31328207 MSUYLOVOYDYLQF-UHFFFAOYSA-N 436.306 2.628 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 31598537 LRQLBUPRNQIZMV-DLBZAZTESA-N 432.542 2.982 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 32809395 IKGQDVYUSWXRCM-VXKWHMMOSA-N 434.496 2.971 0 40 IFAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 34746786 DPJZBWBSPXVHJZ-UHFFFAOYSA-N 449.548 2.548 0 40 IFAB COc1ccc(-c2nc(O)c3c(S(C)(=O)=O)nn(-c4ccccc4)c3n2)cc1OC 35066939 BVVGOCIUYNJQLY-UHFFFAOYSA-N 426.454 2.609 0 40 IFAB CC(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)N(C)c4ccccc43)[C@@H]2C1=O 36034342 LEKAGIYBNROEHO-GGISIDAXSA-N 442.519 2.564 0 40 IFAB CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCOCC3)nc2)cc1 40049413 ITDBLRNFRLTREI-INIZCTEOSA-N 441.484 2.667 0 40 IFAB C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2)C1=O)c1ccc2c(c1)OCCO2 40117691 GTWMSSJOHGPUIS-CXAGYDPISA-N 427.432 2.679 0 40 IFAB Cc1ccc2c(c1)N(Cc1nc(C3CC3)no1)N=C(C(=O)N1CCCCCC1)S2(=O)=O 49402734 CXTBMUYKMITYMK-UHFFFAOYSA-N 443.529 2.765 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccccc1Br 63459506 HNMMZUGXYGJYDT-UHFFFAOYSA-N 429.311 2.713 0 40 IFAB CCSc1ncc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cn1 72340635 BWFLNNMXGOJCDL-FQEVSTJZSA-N 442.564 2.865 0 40 IFAB O=C(CN1CCN(CCOc2ccccc2Cl)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 95946965 JYXWMFFZQALKKE-UHFFFAOYSA-N 444.963 2.783 0 40 IFAB COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 96025894 LFWKTUGFXGTLLK-UHFFFAOYSA-N 445.541 2.853 0 40 IFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)Cc1nonc1C 100141390 MBFOZGZKJBBZCZ-LIRRHRJNSA-N 430.468 2.927 0 40 IFAB O=C(Oc1ccc(I)cc1)c1c[nH]n2c1nc(=O)c1ccccc12 103724447 XZLIYTLUIYXMIF-UHFFFAOYSA-N 431.189 3.000 0 40 IFAB CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N1C(=O)c2ccccc2C1=O 135658892 HPTBZTZXWZMVHL-CSODHUTKSA-N 433.508 2.505 0 40 IFAB biogenic CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O 220178731 KXDVUDKVIRGLDW-QGZVFWFLSA-N 434.558 2.997 0 40 IFAB CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(S(C)(=O)=O)cc1 222443968 FUGXIBKQPCDMQC-SFHVURJKSA-N 438.571 2.675 0 40 IFAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1N1CCCC1=O 223864227 UCPNLIVDMPRSLZ-OAHLLOKOSA-N 436.555 2.565 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)s1 225565006 WVWCAOOPROWFNX-UHFFFAOYSA-N 436.481 2.640 0 40 IFAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=c2\sc3ncnn3c2=O)c1 256055537 KDDOWFFELYOFOC-MFOYZWKCSA-N 426.885 2.678 0 40 IFAB O=C(C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2cnco2)C1)N1CCOCC1 257245372 IPEICHOECAGZGO-QFIPXVFZSA-N 447.919 2.878 0 40 IFAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2ccc(CNC(=O)c3cc(-c4cccnc4)[nH]n3)cc2)N1 257250727 JNUPGBOSINHYCI-XJABCFGWSA-N 432.484 2.508 0 40 IFAB C[C@]1(O)CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1Oc1cccc(F)c1 257255139 KGGLTQXEXUVXCL-GMAHTHKFSA-N 430.476 2.830 0 40 IFAB Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)Cc2ccccc2)on1 257283348 OXXCWJGHBASIRU-SCPDWHHUSA-N 439.487 2.933 0 40 IFAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CC[C@H]21 257336769 YPYUGCOHSVDLJB-PQNGQFLHSA-N 445.567 2.558 0 40 IFAB Cc1nc(CN2C[C@@H]3ON=C(N4CCC(C(=O)NCc5ccccc5)CC4)[C@H]3C2)cs1 306140065 UILRXKMTJBIQOX-SFTDATJTSA-N 439.585 2.624 0 40 IFAB CCOC(=O)C1CCN(C(=O)Nc2ccc3nc(N4C(=O)CCC4=O)sc3c2)CC1 409128612 FUWRNQBLPGFCFF-UHFFFAOYSA-N 430.486 2.757 0 40 IFAB CN(C)[C@H](CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 530601971 DCHIURZOAWBOFW-GGAORHGYSA-N 430.980 2.879 0 40 IFAB Cc1nc(N2CCN(C(=O)c3nnn(-c4ccc(F)cc4)c3C)CC2)cc(C(F)(F)F)n1 575614556 WMPJTCHENZZTQU-UHFFFAOYSA-N 449.412 2.794 0 40 IFAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc4c3OCO4)CC2)cc1 585271491 AGQKLWVFYHKFQL-XMMPIXPASA-N 426.513 2.636 0 40 IFAB Cc1nc2ccccc2n1CCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)CC1 2037880128 DOZLDHUCRPKMBJ-UHFFFAOYSA-N 444.539 2.826 0 40 IFAB Cc1cccc(NC(=O)N2CC3(C2)CS(=O)(=O)[C@@H](CN(C)C2CCCCC2)CO3)c1 2332242998 XUZLJQGOJMIGJO-FQEVSTJZSA-N 435.590 2.659 0 40 IFAB C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791825 LSLXTBQKBXEZKX-RTBURBONSA-N 448.567 2.925 0 40 IFAB CCCCn1c(SCC(=O)NCCc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 6095263 LTNTUJWLGCKWQJ-UHFFFAOYSA-N 446.598 2.935 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H](C)NCCCN2CCOCC2)sc2c1CC[C@H](C)C2 8709273 LTTHSDCYRHEPRZ-HOTGVXAUSA-N 437.606 2.689 0 40 IFAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1 8709842 XZAQAXZZTGIGIG-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB COc1ccccc1NC(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 8735172 GCCUXFMIPNIALZ-UHFFFAOYSA-N 444.513 2.860 0 40 IFAB C[C@]1(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CCS(=O)(=O)C1 9184020 KQWMBSZCXFDGIL-QFIPXVFZSA-N 427.478 2.532 0 40 IFAB biogenic O=C(NCc1cccs1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 9203745 PDVBLEXNOAPHFG-UHFFFAOYSA-N 428.495 2.649 0 40 IFAB COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1N 9226992 XRNDFTIWROSLPW-UHFFFAOYSA-N 432.843 2.861 0 40 IFAB CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5F)CC4)ncnc32)cc1 9851358 BOABRHLSABYPOH-UHFFFAOYSA-N 447.474 2.711 0 40 IFAB O=C(c1ccccc1N1CCCC1=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9868632 CRSAWWUIXRRVGJ-LDADJPATSA-N 439.537 2.572 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c2ccccc2O1 9869929 FYBKFWOJTSLKMF-VGOFRKELSA-N 429.476 2.733 0 40 IFAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2cc(C(C)C)no2)c1 9958997 KNEYJKLMLAHCEW-UHFFFAOYSA-N 430.490 2.665 0 40 IFAB CNC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10186928 RJISUAHYVVJPKR-UHFFFAOYSA-N 447.991 2.862 0 40 IFAB Cc1sc2nc(COC(=O)c3sccc3S(=O)(=O)NC3CC3)nc(N)c2c1C 10489031 UYAFVSFGVFFOSK-UHFFFAOYSA-N 438.556 2.750 0 40 IFAB CC[C@H](C(=O)NCc1ccccc1)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 11497522 XEJRYUBYHQEUCT-JOCHJYFZSA-N 429.586 2.786 0 40 IFAB CC1(C)C[C@@H](CC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)C(=O)O1 12188540 SOCUNROWPLCEPU-GFCCVEGCSA-N 425.411 2.581 0 40 IFAB COc1ccc2nc(SCC(=O)c3ccc(CCNS(C)(=O)=O)s3)[nH]c2c1 12737742 JNWKMRVIMSVVBH-UHFFFAOYSA-N 425.557 2.700 0 40 IFAB O=C(CN1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1)Nc1ccc(F)cc1 12766803 FICBFZLJJDNVDL-UHFFFAOYSA-N 427.505 2.577 0 40 IFAB COc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12929034 RERTZHBMLWMTAH-QGZVFWFLSA-N 443.569 2.517 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)ccc21 13101781 LWZKZLGDGRYILQ-SFHVURJKSA-N 435.480 2.848 0 40 IFAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 13120707 HWXGFCHNSFKRNC-QFIPXVFZSA-N 443.459 2.605 0 40 IFAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 14520639 VHAWZGWFULTXBK-NRFANRHFSA-N 425.533 2.723 0 40 IFAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 15957617 YEKCMHBJLZXNNH-IMIIHFCZSA-N 443.503 2.883 0 40 IFAB biogenic COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)c(OC)c1 16215565 OKVWKKQOFRABKH-UHFFFAOYSA-N 434.514 2.942 0 40 IFAB O=C(Nc1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)s1)c1ccccc1 16476857 PHTINBNXKUDYJE-UHFFFAOYSA-N 446.535 2.727 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1ccc(F)cc1)NCc1ccc(F)cc1 17155878 YIFXVGIUEGKMFI-UHFFFAOYSA-N 446.479 2.701 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)n1C 18972814 WOPXISRWNHRLNP-UHFFFAOYSA-N 440.485 2.668 0 40 IFAB O=C1CC[C@H](C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)N1 19341143 CFYFHPLLXXTRMT-LJQANCHMSA-N 432.459 2.585 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCNCC3)[C@H]2C)OCO4)cc(OC)c1OC 19361109 DBEFHKMWRWJVAF-BEYHJKFUSA-N 442.512 2.833 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744160 VLLLMQOHCFEDOD-IBGZPJMESA-N 434.475 2.574 0 40 IFAB Cc1cc(C)n(-c2ccc(NCCNS(=O)(=O)c3cc(Cl)ccc3Cl)nn2)n1 19924126 LYIVGUBWOKRQQO-UHFFFAOYSA-N 441.344 2.976 0 40 IFAB O=C(NCCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(Br)cc1 22662550 LZOKLFBLZHDMFO-UHFFFAOYSA-N 436.375 2.975 0 40 IFAB O=C([C@@H]1CCCO1)N1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)CC1 23865885 LYBHSLCSMQVMFQ-AWEZNQCLSA-N 430.555 2.536 0 40 IFAB Cc1nn(C)c2ncc(C(=O)OCC(=O)Nc3ccnn3Cc3ccccc3Cl)cc12 24200229 AYHZQHPBVGCOJD-UHFFFAOYSA-N 438.875 2.970 0 40 IFAB COc1ccc(C2(NC(=O)C(=O)NC[C@H]3COc4ccccc4O3)CCCC2)cc1OC 27240946 UXQKRMKFVVEFMP-KRWDZBQOSA-N 440.496 2.546 0 40 IFAB Cc1ccc2nc(C)c(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)cc2c1 28814015 KHGWNQCCTSHKOA-UHFFFAOYSA-N 433.537 2.879 0 40 IFAB O=C(NCCCN1CCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 29521780 YPFLPDZYGGPIGJ-SFHVURJKSA-N 433.599 2.718 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccc(C)o1 32754867 BOFZQPQMVMULMU-GUYCJALGSA-N 431.272 2.886 0 40 IFAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(OC)c(OC)c1)CC3 33129308 QLMUBKXCHOFYCT-UHFFFAOYSA-N 437.496 2.859 0 40 IFAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35375003 KBYNEFDHULKTTC-INARBTAWSA-N 434.334 2.624 0 40 IFAB COc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1 35396705 GNTKDLDVVWOVNE-UHFFFAOYSA-N 426.494 2.945 0 40 IFAB CN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 40005922 YDZFMXJRHQNQAD-UHFFFAOYSA-N 427.448 2.894 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 69930225 IPVCHUMUUOMRIJ-URXFXBBRSA-N 426.605 2.759 0 40 IFAB COc1ccc(CN2CCc3c(O)nc(N4CCCCC4)nc3C2)cc1Cn1cccn1 72347217 JHQFHDQWZDPSJH-UHFFFAOYSA-N 434.544 2.984 0 40 IFAB CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)CCn1nnc2ccccc21 72347369 FENIDSGJHAFMBC-JOCHJYFZSA-N 427.468 2.734 0 40 IFAB CN1C(=O)COc2ccc(C(=O)COc3coc(CN4CCCCCC4)cc3=O)cc21 79482120 GSQVASDCKXOXHQ-UHFFFAOYSA-N 426.469 2.633 0 40 IFAB CCOc1ncc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1Cl 95395628 WXKWXMWBCDWZGW-QGZVFWFLSA-N 437.327 2.772 0 40 IFAB COc1cccc(CCN2C[C@H]3CCN(C(=O)NC4CCCC4)CC[C@H]3S2(=O)=O)c1 96145495 NWSLKLNHIRAQDI-WIYYLYMNSA-N 435.590 2.616 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1OC 222597871 CFDJJFDDEMLGCH-FQEVSTJZSA-N 434.558 2.997 0 40 IFAB CCc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 223671672 KOVIVHDAFPXJNL-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 224029901 KUGSSMVESBKSHI-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224051764 OMORDDPGKYYPNV-LBPRGKRZSA-N 428.457 2.625 0 40 IFAB CCOC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)cc1 224867927 BJASFGHBFVJSEC-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1N1C(=O)CCC1=O 225251461 JUBWJUDPWXGPLH-UHFFFAOYSA-N 434.539 2.728 0 40 IFAB CCOc1ccc(-c2noc(CN(C)C(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 225427066 ZUGPXVSTIOXHGB-UHFFFAOYSA-N 444.513 2.658 0 40 IFAB C[C@H](C(=O)N1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 253376325 SUJWCCCVPFFSHC-ANWNFGLHSA-N 439.556 2.945 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCOC3)nc(O)c2C1 253599146 LLHPURFMCDPYMB-YJBOKZPZSA-N 428.558 2.810 0 40 IFAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC)cc2)cc1 408594319 OKSZAQIBTNXPTI-OAHLLOKOSA-N 434.514 2.958 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408655528 DHRSVOWEYZXKFH-IGWOWPFTSA-N 439.295 2.896 0 40 IFAB CN(C)CCOc1cccc(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)c1 585284234 VYQCGKVEWYKDAB-HSZRJFAPSA-N 434.964 2.923 0 40 IFAB C[C@@]1(O)CCN(C(=O)N2CCOCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 604383058 BCGQRCXAXNKMIN-CNNODRBYSA-N 447.532 2.636 0 40 IFAB biogenic,in-vitro O=C(O)C[C@H]1COCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 675094988 BEOSQIDSTNBSEK-QFBILLFUSA-N 430.888 2.903 0 40 IFAB C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(Br)cc3c2OCCO3)C1 1152465660 BBHUSLPWHOTBID-HNNXBMFYSA-N 437.212 2.503 0 40 IFAB Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1 1368364 IMKWRUJRAYNPEA-PMERELPUSA-N 427.570 2.648 0 40 IFAB COc1ccc(-c2csc(CCN3C(=S)S[C@@H]4CS(=O)(=O)C[C@@H]43)n2)cc1 8997774 VHLDFWDCDUQSMF-LSDHHAIUSA-N 426.610 2.861 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCC1 9448307 BQOVBGBYOWXBEH-XGHQBKJUSA-N 433.599 2.553 0 40 IFAB CC[C@@H](NC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccc(C)cc1 9613885 OBSJXGWZGUUXHV-HXUWFJFHSA-N 449.555 2.569 0 40 IFAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 9664723 YRAKJOMBTLLAMF-UHFFFAOYSA-N 431.510 2.672 0 40 IFAB O=C(/C=C/c1nc2ccccc2o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9764473 OEBXHYKSNQKPHE-ZHACJKMWSA-N 429.473 2.903 0 40 IFAB COC(=O)[C@@H](CC(C)C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9781737 GCFPWFDAYQWGFZ-HXUWFJFHSA-N 438.590 2.888 0 40 IFAB C[C@H](NC(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 9951814 CQGFNRHQUNATHP-STQMWFEESA-N 435.527 2.763 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974776 RJAWPADCJXIVKC-MRXNPFEDSA-N 446.525 2.830 0 40 IFAB Cc1nc(-c2ccc(CNC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)s2)cs1 10105432 KMDVUIXSSGILKH-UHFFFAOYSA-N 426.523 2.890 0 40 IFAB O=C(c1ccc[nH]c1=S)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 11337940 IAVPANHZFMLOFJ-UHFFFAOYSA-N 442.360 2.653 0 40 IFAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21 11613196 QCRKXNORZWNMSB-UHFFFAOYSA-N 436.493 2.705 0 40 IFAB O=C(CN1CCC(n2c(=O)oc3ccccc32)CC1)N1CCN(c2ccc(F)cc2)CC1 12143877 ZNYSSDAECJVDTB-UHFFFAOYSA-N 438.503 2.719 0 40 IFAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n(-c3ccccc3Cl)c(-c3ccccc3)cn21 12323780 BSUBAWXVZKBFOL-UHFFFAOYSA-N 449.854 2.544 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1)O2 12329401 OQDZMNLCTAWMSX-VFNWGFHPSA-N 433.464 2.589 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3N3CCOCC3)C2)s1 12522440 VNIZFFLWAVGDFU-KRWDZBQOSA-N 449.598 2.933 0 40 IFAB CCOc1cccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)c1 12629681 SGSOKOMECHSTHB-SFHVURJKSA-N 440.525 2.577 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NCc2cccnc2)c1 12663928 ROCUKGOFOOZAJG-QGZVFWFLSA-N 432.509 2.639 0 40 IFAB O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cc(=O)n2c3c(sc2n1)CCCC3 12766004 IMDOZKAOXSZNPD-UHFFFAOYSA-N 430.493 2.579 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)OC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 12948172 LYJOMASJZHVERQ-LRDDRELGSA-N 430.432 2.517 0 40 IFAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc2c(c1)OCCCO2 13006549 WPEJSNIYZLKEMQ-UHFFFAOYSA-N 434.558 2.553 0 40 IFAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1F 13114905 AZKOPRBLDAIRFJ-UHFFFAOYSA-N 426.535 2.955 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 16321204 XPMZXJMZOWQLTP-UHFFFAOYSA-N 425.894 2.566 0 40 IFAB C[C@@H](Cc1ccccn1)N(C)C(=O)CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19456921 HUXXTZKLBSORQD-IBGZPJMESA-N 437.588 2.634 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)[C@@H]3CCCO3)C1)C[C@@H]2C(F)(F)F 19530910 MPIRIYFEXQTVSV-SYAUCNOPSA-N 444.454 2.765 0 40 IFAB Cc1c(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cnn1C 19553894 WYUMWLZJUBTBKU-QGZVFWFLSA-N 449.577 2.595 0 40 IFAB COc1ccc(-c2noc([C@@H]3CN(S(=O)(=O)c4ccc(F)c(F)c4)CCO3)n2)cc1 19558543 JOXUCDRQKRZFAB-KRWDZBQOSA-N 437.424 2.786 0 40 IFAB CCCc1cc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)no1 19694708 FBMDEKDUYLYFDP-KRWDZBQOSA-N 448.527 2.879 0 40 IFAB CN1CCc2nc([C@@H]3CCCCN3C(=O)COc3ccc(F)cc3)nc(N(C)C)c2C1 19710411 LSGGWNROUGYZKG-FQEVSTJZSA-N 427.524 2.802 0 40 IFAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19741444 BFGRXPXMQLDAJH-SFHVURJKSA-N 449.621 2.630 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(C)C 20007263 ZVJJYPWDKVXHIU-FQEVSTJZSA-N 448.585 2.825 0 40 IFAB CCOc1ccccc1CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 20493298 XMOFZUGKQPHZCF-UHFFFAOYSA-N 441.347 2.930 0 40 IFAB CCSc1nnc(NC(=O)[C@@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)s1 32777937 NNTJSPCVBUGYQC-LBPRGKRZSA-N 437.572 2.592 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)o1 33706086 QEPFQQXGFRZRRT-BOPFTXTBSA-N 436.380 2.858 0 40 IFAB CCn1c(CCC(=O)OCCOc2cccc(C)c2)nc2cc(S(N)(=O)=O)ccc21 40161943 SZLBVCCKQBMWCO-UHFFFAOYSA-N 431.514 2.567 0 40 IFAB COc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C(C)C)c(OC)c1 41098161 OPTKGLZSULSDDV-OPAMFIHVSA-N 439.512 2.836 0 40 IFAB CCOc1ccccc1CNC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44932008 ZRSZANNQPCCLLA-LJQANCHMSA-N 438.933 2.972 0 40 IFAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cccc(C)c2OC)c1 57328242 CJLMYELQODFYLL-UHFFFAOYSA-N 443.525 2.754 0 40 IFAB CCCn1c(=O)n(CCC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c2ccccc21 59935752 VWNJLLNLHXFOAX-JOCHJYFZSA-N 449.555 2.692 0 40 IFAB COc1ccccc1CN1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1 72344918 BVRUMFYPWRUDJN-GOSISDBHSA-N 434.562 2.944 0 40 IFAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCCn2ccc3cc(F)ccc32)n1 94993161 CNZGVULTKABFFO-UHFFFAOYSA-N 438.434 2.968 0 40 IFAB CCOC(=O)c1sc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)nc1C 95474315 IAOKSWVEOURIGL-UHFFFAOYSA-N 445.497 2.640 0 40 IFAB C[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)(C)C)C3 100235056 FHRVTIBMWSJZFC-JCKWVBRZSA-N 425.533 2.685 0 40 IFAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCC[C@H](C)C2)n1Cc1ccco1 104099986 IAPURFYWWVBNBM-LSDHHAIUSA-N 434.566 2.871 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 220215620 IXGHQXFPIUBRBX-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220528104 PZUBXGQEDGFDPK-QFIPXVFZSA-N 444.601 2.930 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224046079 PHLPTTBLKVLAIC-KRWDZBQOSA-N 426.513 2.952 0 40 IFAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCc3nc4ccccc4[nH]3)C2)c2cnccc2n1 257253632 JZRBMFUGABMNNL-VWLOTQADSA-N 444.539 2.847 0 40 IFAB CN1CCN(c2cc(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)ccn2)CC1 257255924 KJKRAVWHGPEXEE-QFIPXVFZSA-N 435.572 2.648 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)CO[C@@H]2c4cccc(O)c4OC(C)(C)[C@H]2C3)c1 257294385 QTVZGYRIIHSBED-QFBILLFUSA-N 447.557 2.845 0 40 IFAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c(C)c1 408594893 PRQZYJMUMDEEJQ-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB COC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408637266 ZDSRMQZGVKVPSE-HNNXBMFYSA-N 440.949 2.691 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c(OC)c1 408656170 IOMWZIHSKMCKLO-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408658712 LOTDTXQBEBXWEK-NXPNQGMMSA-N 425.268 2.506 0 40 IFAB CC1(C)CC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC(C)(C)N1 408709831 XPRAIOGPWVMVPD-UHFFFAOYSA-N 436.556 2.981 0 40 IFAB Cc1cc(Cl)ccc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O 408923071 IZKDIHMMSYQZCT-UHFFFAOYSA-N 439.940 2.902 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 409164776 NSLJEKCQBPTWCI-WMZOPIPTSA-N 429.590 2.944 0 40 IFAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 524730451 JMSFYYLVOKFYCM-MYGLTJDJSA-N 432.613 2.609 0 40 IFAB C[C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1nc(-c2cccnc2)ccc1=O 585219767 SWCTVQWEEUKSNC-AQDCRGGLSA-N 429.524 2.724 0 40 IFAB NC(=O)CCNC(=O)CN1CCCCCCOc2ccccc2Oc2ncccc2C1 643576699 QYUPZFDJGFJWPT-UHFFFAOYSA-N 426.517 2.620 0 40 IFAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)cc2)C1 1168504311 GTNBJHYRALOSGZ-HXUWFJFHSA-N 429.524 2.879 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)o2)c1 1775966856 HLPIROVCHJLYBU-CYBMUJFWSA-N 437.495 2.815 0 40 IFAB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 1857793370 LWBGOYIMMPIRPI-BZSNNMDCSA-N 446.500 2.623 0 40 IFAB CCOC(=O)[C@](NS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OC)OC 3103519 FZWWUMXNKPQYJQ-CYBMUJFWSA-N 433.341 2.581 0 40 IFAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 3352955 KXDHCVHHXBNPNW-UHFFFAOYSA-N 427.482 2.517 0 40 IFAB CCn1c(CSc2nnc3n2CCCCC3)nc2cc(S(=O)(=O)N(C)C)ccc21 8709992 ORKFBJFYNXNEKX-UHFFFAOYSA-N 434.591 2.917 0 40 IFAB COc1cc(/C=C2/SC(=N)N(c3nonc3N)C2=O)ccc1OCCN1CCCCC1 8780840 YKYMXIZUSALQBV-YFWALFPESA-N 444.517 2.581 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)N1CCCC1 9192246 QSFOHWGHRKJBLS-UHFFFAOYSA-N 447.532 2.581 0 40 IFAB CCOc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1 9429834 REFPMPZBRONEBK-QCPHZMBFSA-N 426.860 2.815 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1C 9442042 ZRTPMHSAZPJCLT-UHFFFAOYSA-N 434.514 2.545 0 40 IFAB Cc1csc2nc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)cc(=O)n12 9462726 FAEBNCQIPXBWOY-UHFFFAOYSA-N 436.584 2.926 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc(F)cc3)CC2)cc1 9507988 UCPNXUIMAMPYIN-UHFFFAOYSA-N 436.530 2.654 0 40 IFAB COc1cc(NC(=O)COC(=O)c2ccccc2NS(C)(=O)=O)c(OC)cc1Cl 9657711 AIZBQZYAIDPHPC-UHFFFAOYSA-N 442.877 2.524 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2ccccc2OC)c1 9988794 ZGFUDPHSIJATIB-UHFFFAOYSA-N 448.541 2.840 0 40 IFAB COC(=O)C1=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2Cl)n2nnnc2N1 10232224 APHNKMSZCCBIFY-MRXNPFEDSA-N 440.803 2.560 0 40 IFAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1 12129568 VGKSTKUHQMIBBV-CQSZACIVSA-N 445.545 2.747 0 40 IFAB CCC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1 12157722 HCTHWKUFQDUHEZ-NQIIRXRSSA-N 429.590 2.854 0 40 IFAB Cc1ccc(COc2cn(CC(=O)N3CCN(c4ccccc4)CC3)c(CO)cc2=O)cc1 12231160 PGFYXERQLURNQG-UHFFFAOYSA-N 447.535 2.577 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)C(=O)Nc1ccccc1 12389100 VDEJMRNGFQHAEX-HOTGVXAUSA-N 449.960 2.884 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12766924 AQHSPADVOWVUIT-FQEVSTJZSA-N 429.952 2.880 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c1 12995030 DMLOHXKOLINSQL-UHFFFAOYSA-N 430.526 2.611 0 40 IFAB Cc1ccn(-c2ccc(N3CCN(C(=O)c4ccccc4Br)CC3)nn2)n1 13008912 JPOGJMWSCBMUBK-UHFFFAOYSA-N 427.306 2.696 0 40 IFAB COc1ccccc1C1=N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)O1 13691104 IRTOZAMYBFZNBO-ATVHPVEESA-N 425.466 2.649 0 40 IFAB NC(=O)C1CCN(C(=O)C2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)CC1 13731829 UWSXUHDCVLIIGT-UHFFFAOYSA-N 433.552 2.781 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 13942369 KRLJUCIJHWEKPK-UHFFFAOYSA-N 444.553 2.992 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl 13943491 UATNFYWCUVHEEM-LLVKDONJSA-N 426.878 2.773 0 40 IFAB COc1ccc2c(C)c(CCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)c(=O)oc2c1 14079684 IBROCZADXUKIQG-UHFFFAOYSA-N 441.484 2.575 0 40 IFAB O=c1/c(=C\c2ccccc2Br)sc2nc([C@@H]3COc4ccccc4O3)nn12 16805676 QBAIKAJRRZLNOM-WNLSXJKCSA-N 442.294 2.974 0 40 IFAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc(Br)c1O 16806434 FWMREIJGLVVDHQ-INIZCTEOSA-N 446.253 2.807 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(Nc3ccc(F)cc3)n2)cc1 16850206 AJAUHVPXAVEZDH-UHFFFAOYSA-N 434.518 2.575 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([C@@H]4CCCO4)o3)cc2)C1 17244933 LZDURJFBXFJCPQ-VBQJREDUSA-N 434.518 2.840 0 40 IFAB O=C(Cc1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349294 UVRHVPOOGKQLCB-QFIPXVFZSA-N 447.514 2.769 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 19694607 HKQXRABEYFAGGN-SFHVURJKSA-N 444.536 2.998 0 40 IFAB CNC(=O)c1[nH]c(C2CCN(C(=O)C[C@H]3CCCO3)CC2)nc1-c1ccc(OC)cc1 19697040 QMHWDJVMFIPBAR-GOSISDBHSA-N 426.517 2.720 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CCN(C(C)=O)C2 19707362 JNWXASXPKJUQBM-OAQYLSRUSA-N 432.528 2.810 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1C 19899228 RDDBFBQVXQXYJB-UHFFFAOYSA-N 447.543 2.861 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)CC1 20063241 VNXPZTGVZVFYRI-UHFFFAOYSA-N 442.537 2.972 0 40 IFAB COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCOCC1 20109281 GUTULKWQVWMTLL-UHFFFAOYSA-N 433.892 2.880 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1C 22225181 VSULLISDCBPQLW-CYBMUJFWSA-N 439.559 2.817 0 40 IFAB Cc1cccc(NC(=O)CSCC(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 22465201 WOKITMGQCDMILJ-GOSISDBHSA-N 433.599 2.918 0 40 IFAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(Cl)ccc1OCC(F)(F)F 23055218 ZYDUMWSJOJFSAP-UHFFFAOYSA-N 433.799 2.724 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2SC)N2CCOCC2)cc1 23107457 SPODYUBPVVPYPT-IBGZPJMESA-N 429.542 2.545 0 40 IFAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)ccc21 32753089 ILFSMOWDPDHBDD-AZUAARDMSA-N 427.501 2.516 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC 32797361 JENHPCLMGXMUQO-SFHVURJKSA-N 441.576 2.753 0 40 IFAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21 36367072 ODEPLGWWNMKLLW-QFIPXVFZSA-N 425.460 2.809 0 40 IFAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 40106802 ALVGMGQQXLCPDH-UHFFFAOYSA-N 425.529 2.624 0 40 IFAB CC[C@](C)(CNC(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)N1CCOCC1 58216494 CRXQQJGFRSIMTE-HTAPYJJXSA-N 428.537 2.705 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 61720583 TUIYZRQJQKOUDU-UHFFFAOYSA-N 429.908 2.769 0 40 IFAB O=C(c1ccccn1)N1CCCN(C(=O)c2ccccc2I)CC1 89809697 OUOQTHJEYWGQBC-UHFFFAOYSA-N 435.265 2.675 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1C 96251355 RFJZSGHOIFRHDS-NVQXNPDNSA-N 447.583 2.978 0 40 IFAB COc1ccccc1CCN1CC(=O)N(c2ccc(C)c(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 96355807 IKNORFHQOJAVGW-VQTJNVASSA-N 448.972 2.714 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1Cl 100033037 SFHMKYVPEYZSNF-ROUUACIJSA-N 427.848 2.589 0 40 IFAB COc1cc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc(OC)c1OC 169768653 JCCFLUFCDJCICH-UHFFFAOYSA-N 443.529 2.869 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 223045407 JFUHQFHDIVGDKR-UHFFFAOYSA-N 435.977 2.872 0 40 IFAB Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223153235 OBINZYBLDJTVCZ-PKTZIBPZSA-N 449.580 2.883 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224115678 YTBCVWZKCPOEOJ-HXUWFJFHSA-N 449.548 2.535 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224125703 BMGIPHFTMZSGLY-OAQYLSRUSA-N 445.585 2.559 0 40 IFAB O=S(=O)(NCc1ccnc(N2CCOCC2)n1)c1ccc(Oc2ccccc2)cc1 224222709 XQQYLLKOCLHQOF-UHFFFAOYSA-N 426.498 2.584 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224646745 ABBDUBHFXWYXOR-UHFFFAOYSA-N 447.513 2.601 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1Cl 225017267 HSMAGJCJOAMZMM-UHFFFAOYSA-N 437.949 2.577 0 40 IFAB Cc1nc(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)cs1 257217498 CZFJQBCXODQOGJ-RXVVDRJESA-N 443.569 2.539 0 40 IFAB Nc1nc(CCC(=O)N2CCO[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)cs1 257311679 UKPFGOAURCTNJM-IBGZPJMESA-N 445.520 2.742 0 40 IFAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)CC3(O)CCCCC3)[C@@H]1O)O2 257314722 UYFAHPWTERPBHP-WGZFELOISA-N 431.573 2.795 0 40 IFAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)CN4CCc5ccccc5C4)CCO3)n2)nn1C 257322250 WFESTYBHCHEPQR-QFIPXVFZSA-N 446.555 2.825 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257322362 WFRRTTKMDIYXKQ-UHFFFAOYSA-N 426.502 2.587 0 40 IFAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704855 ULODLSGDBGDHSQ-XSXQVXRUSA-N 434.558 2.697 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575615144 MPYUZLNMUNRPAY-UHFFFAOYSA-N 447.845 2.538 0 40 IFAB CCn1cc(S(=O)(=O)N2C[C@H]3CN(c4nc5ccccc5n4C(C)C)C[C@@H]3C2)nc1C 1888920853 XMSCNTMESNSEGD-QZTJIDSGSA-N 442.589 2.899 0 40 IFAB Cc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2c(C)nc4ccccn24)CCO3)cc1 2056226318 PDKZJZDGRBRFMR-RCZVLFRGSA-N 434.540 2.627 0 40 IFAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cc1 945079 XOWINVMBAWYZQB-UHFFFAOYSA-N 428.470 2.937 0 40 IFAB COc1ccc(CNc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)cc1 2409443 IABJLFNKDOFOFZ-UHFFFAOYSA-N 439.903 2.756 0 40 IFAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)NC1CCCCC1 3220259 ZIZMQKCBUBHKLM-UHFFFAOYSA-N 438.527 2.860 0 40 IFAB CCCOc1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)ccc1Br 8714713 MRSQUJIYGNDRFH-UHFFFAOYSA-N 435.340 2.701 0 40 IFAB CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)COc3ccccc3F)c2n1 8946064 XIHGOUCYWFKMPF-UHFFFAOYSA-N 444.536 2.873 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@@H](CCSC)C(=O)O 9046221 PZDCDLRIQOKDII-JDFRZJQESA-N 436.534 2.541 0 40 IFAB biogenic Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)OCO5)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 9209484 BMICLQYOAKBLDZ-UHFFFAOYSA-N 449.854 2.725 0 40 IFAB NC(=O)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1 9349036 KNBCSRMIGKJZKF-UHFFFAOYSA-N 426.479 2.994 0 40 IFAB CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)c2c[nH]c3ccccc23)cc1 9379008 QZBJZKPNZBTNRE-XLIONFOSSA-N 425.554 2.917 0 40 IFAB O=C1O[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Cc2ccccc21 9467820 FLQXCAVRDKJESL-INIZCTEOSA-N 429.479 2.664 0 40 IFAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O 9590634 MLQCRLJYCBAWAR-FQEVSTJZSA-N 449.294 2.786 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 9633913 PHHUDBLZUGUZHT-RUZDIDTESA-N 435.524 2.944 0 40 IFAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(Cl)cc3)c(-c3ccccc3)cn21 9713371 SBWBWGVSJRLZDT-UHFFFAOYSA-N 449.898 2.841 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 9743821 FBYKGCBRUIRRKZ-LJQANCHMSA-N 447.532 2.822 0 40 IFAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccccc2C)Oc2ccccc21 10009162 FVMHACLKPMJWGL-FQEVSTJZSA-N 434.583 2.962 0 40 IFAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 11612857 LPNQXGABJIGUHI-QGZVFWFLSA-N 434.489 2.804 0 40 IFAB O=C1N[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 11859174 BODOZRWTHTUGOG-IOASZLSFSA-N 444.207 2.948 0 40 IFAB O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 11906509 PSTAIYIPQBEABR-UHFFFAOYSA-N 437.477 2.857 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C1)N2 12181675 UCRLGMUCLKRFLE-LUKYLMHMSA-N 441.498 2.975 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 12781167 UJTHHYBOPRSIFI-JVRWENHQSA-N 448.585 2.679 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3cc(F)ccc3OC)CC2)cc1 13014377 BLGDFCNNFXVRSE-OAQYLSRUSA-N 436.549 2.827 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCCc1c[nH]c2ccccc12 13121007 SHIXKUAEJAAHRM-UHFFFAOYSA-N 436.537 2.711 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc(Cl)nc4[nH]cnc34)C2)cc1OC 13569485 DQORGRRYLDUDIG-AWEZNQCLSA-N 444.923 2.599 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 14094702 RAVULOIOQTWILU-HSZRJFAPSA-N 440.475 2.713 0 40 IFAB Cc1ccc2c(C)c(CCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)c(=O)oc2c1 18038737 FAXSYVSWDGGGDU-UHFFFAOYSA-N 425.485 2.874 0 40 IFAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc2nsnc12 19108688 LBTRQDLOFODMAZ-UHFFFAOYSA-N 426.502 2.549 0 40 IFAB COc1nc(C)c(CC(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)c(OC)n1 19579442 QFTVOSVCKINWDM-IBGZPJMESA-N 426.448 2.632 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)Cc1ccc(F)cc1)C2 19696368 YSYVOIHPQOSJCF-OAQYLSRUSA-N 438.478 2.726 0 40 IFAB CC(=O)NCc1ccc(-c2ccc(C(=O)NC3CCN(C(=O)C4CC4)CC3)c(C)n2)cc1 19700538 ZOUZLXBJKJTVDE-UHFFFAOYSA-N 434.540 2.824 0 40 IFAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)CCc3ccc(F)cc3)n2)CC1=O 19700949 OEACCOCLJAJBAI-GOSISDBHSA-N 441.551 2.997 0 40 IFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 19708633 ZTFZVOJJGUCHIB-QGZVFWFLSA-N 429.590 2.691 0 40 IFAB Cc1ncsc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 19756375 WNQXIASKNFLJQU-UHFFFAOYSA-N 438.557 2.605 0 40 IFAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2C(=O)c2cnccn2)cc1 19766505 ITACLHIMVBZJHI-OAQYLSRUSA-N 446.511 2.881 0 40 IFAB Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2cc1C 19824290 JGDHOPFXOWUWDV-UHFFFAOYSA-N 430.618 2.810 0 40 IFAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 20457048 UUZLIJZIEOJJDJ-UHFFFAOYSA-N 438.933 2.690 0 40 IFAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)Cc1cccc(Cl)c1 20491370 LVTTWGIUNHHUGA-UHFFFAOYSA-N 432.951 2.977 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(F)c(F)c1 20567968 UZOBSAQNKMFQHG-UHFFFAOYSA-N 437.468 2.606 0 40 IFAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 20726097 SVLVSWGCULQKJA-IRLDBZIGSA-N 435.480 2.586 0 40 IFAB COc1cc(COC(=O)c2ccc(CCNS(C)(=O)=O)s2)ccc1OC(F)F 21762172 SOKTXTYYTNDFFV-UHFFFAOYSA-N 435.470 2.807 0 40 IFAB Cc1sc2nc(CN3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)[nH]c(=O)c2c1C 22245239 YXSHCPRRWSOQGR-MDWZMJQESA-N 444.582 2.720 0 40 IFAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 24803268 RBJHLKPIRMKNBR-UHFFFAOYSA-N 432.484 2.743 0 40 IFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OCC(=O)N1CCN(c2ccccn2)CC1 31173075 WJZVLACWIIVEPN-UHFFFAOYSA-N 444.557 2.942 0 40 IFAB CCN1CCN(CCNC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)CC1 32579069 YGVBWCBQWNDHLJ-UHFFFAOYSA-N 449.555 2.845 0 40 IFAB NS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 32754043 GRTPRHRMRMIUFX-UHFFFAOYSA-N 433.493 2.842 0 40 IFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1 34718971 OLCYENWDOJSQRA-ATVHPVEESA-N 432.498 2.677 0 40 IFAB CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2n2cc(C(=O)OC)nn2)cc1OC 40152706 ALAPHQASDQISHO-BSFHNJQISA-N 428.489 2.785 0 40 IFAB Cc1cc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)ccc1F 49421670 JAANPVSBOSSKSX-UHFFFAOYSA-N 435.864 2.816 0 40 IFAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 49520953 DVVLANPAUDETLR-UHFFFAOYSA-N 439.487 2.756 0 40 IFAB COc1cccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4cc(OC)ccc43)n2)c1 71288421 JGUYUWVSOZFUKA-UHFFFAOYSA-N 432.480 2.699 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3nc(C4CC4)cs3)CC2)cc1 72310485 OLJQQKKWFXLSMC-UHFFFAOYSA-N 449.598 2.789 0 40 IFAB CCOC(=O)C1=C(CN(C)Cc2nc3ccccc3n2C)NC(=O)N[C@H]1c1ccccc1 72312003 JYHWDWKAHQDFIS-QFIPXVFZSA-N 433.512 2.876 0 40 IFAB CCOC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1oc(CO)cc(=O)c1O 72401612 AGOBCWNOHSDYCD-LJQANCHMSA-N 425.437 2.897 0 40 IFAB COc1ccc(Br)c(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1 77101253 DRYZJWFJGYUAOG-UHFFFAOYSA-N 443.301 2.704 0 40 IFAB O=C(COc1ccc(I)cc1)Nc1cc(Br)c[nH]c1=O 78702719 YOCRZZIUSXLFML-UHFFFAOYSA-N 449.042 2.760 0 40 IFAB CN1C[C@H](NC(=O)c2ccc(F)cc2)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 96113315 HWPHGUPADXMQET-TZIWHRDSSA-N 440.519 2.626 0 40 IFAB biogenic,in-vitro COCCn1ccc2c(NC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)cccc21 96115217 CRCSPIXTTJKRFT-FQEVSTJZSA-N 434.496 2.779 0 40 IFAB biogenic O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 96343938 IJLNOAFZQBDOTE-QGZVFWFLSA-N 435.503 2.836 0 40 IFAB O=C(OCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007758 IRUGCYHLQWBKIW-XGHQBKJUSA-N 429.494 2.743 0 40 IFAB COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 107542332 SILDRNKRNVYBDM-PKTZIBPZSA-N 444.553 2.665 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1 107834317 JSGGCNJOMOEWJX-UHFFFAOYSA-N 440.681 2.805 0 40 IFAB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220661260 PTOFVYQJXYSJHN-OAQYLSRUSA-N 433.574 2.883 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 224161394 CJUJSPCMZKQTFD-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)cc1 224350964 DEEATIMQMQDEAC-UHFFFAOYSA-N 437.949 2.561 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)ccc21 225043509 VHBNDLDCGRJGDV-UHFFFAOYSA-N 437.518 2.924 0 40 IFAB CCCSc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 225693895 ZGXDCRPGUFLGDM-GFCCVEGCSA-N 448.979 2.859 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 257337504 YTAVMCCXYRGBOI-BJKOFHAPSA-N 435.568 2.726 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260800785 XBHTWLUYXAKLOA-ZWKOTPCHSA-N 425.595 2.621 0 40 IFAB CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408593648 MYVJSXUXTOYAEZ-RMKNXTFCSA-N 441.597 2.775 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1C 408619034 HQSJUDNVXQOHGU-QGZVFWFLSA-N 449.548 2.548 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1NC(=O)CC 408698527 QPYQEPWSMMWXKZ-UHFFFAOYSA-N 431.558 2.940 0 40 IFAB C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 578053114 DCEVVNFVPQWXMF-INIZCTEOSA-N 442.541 2.764 0 40 IFAB NC(=O)NC(=O)c1cccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c1 579736737 SOLMQVFOYWZRKF-QFBILLFUSA-N 437.431 2.536 0 40 IFAB COCCn1cnc2c(N3CCN(c4nc5c(OC)ccc(C)c5s4)CC3)ncnc21 1888958961 IZCQFJYFSULSNK-UHFFFAOYSA-N 439.545 2.726 0 40 IFAB CCn1ncc(NC(=O)c2cccc(COCC(F)(F)F)c2)c1C(=O)N1CCOCC1 2805348 YQKJCFCDXSWRSM-UHFFFAOYSA-N 440.422 2.707 0 40 IFAB Cc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 8605486 LPNMWBKWUSASFD-UHFFFAOYSA-N 440.525 2.980 0 40 IFAB O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8862517 YUYUELJGFGDPIF-UHFFFAOYSA-N 433.505 2.699 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)ccc1F 8945994 WZVURDYLOHFOTM-UHFFFAOYSA-N 449.504 2.746 0 40 IFAB CC(=O)Nc1ccc2c(c1)C[C@@]1(C(=O)NC(=O)N(C(C)(C)C)C1=O)[C@@H]1CCCCCN21 8971346 LYSINHHYCTYTIN-MBSDFSHPSA-N 426.517 2.813 0 40 IFAB Cc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)CCC(=O)O 9060548 QISVANNWUPMLDN-IBGZPJMESA-N 429.498 2.909 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)c1 9302509 JGBLAALTQWMLBR-NSHDSACASA-N 432.531 2.581 0 40 IFAB CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)[C@H]1CCS(=O)(=O)C1 9349043 SUSXXPDSWDHZNB-INIZCTEOSA-N 446.594 2.915 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NCCC(C)C)[C@H]5C3=O)nc2c1 9410649 NPPRPFRBLXMZIG-VIRVFLBCSA-N 427.526 2.754 0 40 IFAB Cc1cc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3c(C)c(C)sc32)[nH]n1 9599048 DOXKBDNUYZZNRJ-UHFFFAOYSA-N 437.525 2.754 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 9715326 QULPKINWQCUZCJ-OAHLLOKOSA-N 447.513 2.913 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCCn2ccc3ccccc32)CC1 9724239 KNGGLHZUGDRMLR-UHFFFAOYSA-N 444.557 2.853 0 40 IFAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 12188512 XHOVZMPSIZKWOY-UHFFFAOYSA-N 433.390 2.821 0 40 IFAB COc1cccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@@H]2CCCO2)c1 12525345 CAZUEYYYNSYJAS-IBGZPJMESA-N 432.480 2.789 0 40 IFAB COc1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 12682804 SCKHUZDFAANDHD-WHEQGISXSA-N 433.505 2.788 0 40 IFAB Cc1ccccc1N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 13056949 MPQKRNHCKLKXKE-UHFFFAOYSA-N 442.585 2.540 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)c1 13069507 LDZSGENSHKUUDG-UHFFFAOYSA-N 437.525 2.548 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1COc2ccccc2O1 13519168 OMNIZKDRKUUILD-HXUWFJFHSA-N 432.498 2.648 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 13671365 BSNKTPCMPNSACE-UHFFFAOYSA-N 426.485 2.879 0 40 IFAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)cn2)cc1 13809129 VAJUZZVHPKZWAI-UHFFFAOYSA-N 437.496 2.685 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1 14160363 NROMGDDIJGUZHA-DEOSSOPVSA-N 430.464 2.605 0 40 IFAB COc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(OC)c1OCC(N)=O 14246177 DOWOXIHQAHVWQK-UHFFFAOYSA-N 430.501 2.674 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(F)ccc2s1 15537364 IEJCRKZTYVRZLI-UHFFFAOYSA-N 434.514 2.991 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(Br)cc1 15718199 GLZXKZNLEVCTRP-UHFFFAOYSA-N 439.331 2.668 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccc(S(C)(=O)=O)c1 18019602 VHKBGFKELMRIJC-UHFFFAOYSA-N 425.304 2.563 0 40 IFAB O=C(C1CCC1)N1CCc2c(nc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)[nH]c2=O)C1 19292848 NQDRQZVBCCGGFX-MRXNPFEDSA-N 428.483 2.722 0 40 IFAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2ccccn2)CCO1 19580735 UIDHOJJCDFSYAU-VWLOTQADSA-N 430.508 2.686 0 40 IFAB Cn1cc(-c2ccc([C@@H]3CCCN(C(=O)Cn4c(=O)n(C)c5ccccc54)C3)nc2)cn1 19689191 CXNJFAQRLYZUPM-GOSISDBHSA-N 430.512 2.542 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699973 XMVQYXGRBVTIMJ-FQEVSTJZSA-N 440.588 2.653 0 40 IFAB Cc1nc([C@H]2CCCN(CC(=O)n3cccn3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743740 WKGPMSBSAPOEGA-FQEVSTJZSA-N 444.539 2.633 0 40 IFAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)c3cnn(C)c3C)CC2)nc1N 19765961 VLDPPZBPYWVSAJ-UHFFFAOYSA-N 448.527 2.986 0 40 IFAB O=C(O)C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 20463393 JSQUXTPRVWIZLX-SFTDATJTSA-N 428.577 2.723 0 40 IFAB biogenic,in-vitro Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 22465207 WOKITMGQCDMILJ-SFHVURJKSA-N 433.599 2.918 0 40 IFAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 22484523 FTGYHDPXKZBXPD-FGZHOGPDSA-N 448.567 2.930 0 40 IFAB COc1ccc([C@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)N2CCOCC2)cc1OC 22702698 WGGQESNXJPXYQU-SFHVURJKSA-N 441.528 2.663 0 40 IFAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 22766616 CGEDCKWPAPYANR-INIZCTEOSA-N 443.447 2.775 0 40 IFAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 33632262 RXEGJCYRQYCSEF-UHFFFAOYSA-N 438.933 2.711 0 40 IFAB Cc1cc2nc(CSc3nnc(NC(=O)COc4ccc(F)cc4)s3)cc(=O)n2o1 35426828 HXSOAXDFAGXFKQ-UHFFFAOYSA-N 447.473 2.896 0 40 IFAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)NC2=O)cc1 35432701 CBTNVVRJADDZPD-UHFFFAOYSA-N 447.944 2.757 0 40 IFAB CCS(=O)(=O)N(C)CCCNC(=O)c1cc(Br)c(Br)s1 40094790 SIEHKRKWCXQNNJ-UHFFFAOYSA-N 448.202 2.675 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ncccc21)Nc1ccccc1C(F)(F)F 57293573 GFDABUVXLGIKFO-UHFFFAOYSA-N 444.369 2.857 0 40 IFAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1=O 58158182 HEFDHHZHZVXYFZ-MRXNPFEDSA-N 436.512 2.531 0 40 IFAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2c[nH]c3cc(F)ccc23)c1 65162038 GVXWGLJEHWBHCI-UHFFFAOYSA-N 433.505 2.513 0 40 IFAB C[C@]1(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 69084675 MHHHRCUBLQJJSF-NQIIRXRSSA-N 434.945 2.895 0 40 IFAB CCOC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CO)cc(=O)c1O 71286559 BAVBYJCEHPMIPK-INIZCTEOSA-N 442.420 2.969 0 40 IFAB CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 89274595 AYMWCYMPGOMMCH-BUXKBTBVSA-N 441.937 2.573 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1OC 96114508 YTCMLVSXNCRWGA-KRWDZBQOSA-N 436.468 2.645 0 40 IFAB biogenic O=C1N[C@@H](CCC(=O)N2CCN(Cc3ccccc3Cl)CC2)C(=O)Nc2ccccc21 96116439 YDUWVZUPNSWQIX-FQEVSTJZSA-N 440.931 2.515 0 40 IFAB biogenic CN(C)c1ccc(-c2nc3c(=N)n(-c4cccc(C(F)(F)F)c4)c(=O)[nH]c3c(=O)[nH]2)cc1 100946313 OHMAOVSWPFPTSQ-UHFFFAOYSA-N 442.401 2.633 0 40 IFAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 101626505 BFOBFKLWCPQKMC-SYJLOODJSA-N 427.501 2.653 0 40 IFAB CCOC(=O)C(=CNc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1C)C(=O)OCC 102069340 IQLYUQNVUYSHJC-IBGZPJMESA-N 447.406 2.730 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N3CCc4c(cnc5cc(C)nn45)C3)n(C)n2)c1 208035592 KFKGYYPHXLOREE-UHFFFAOYSA-N 432.484 2.654 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 220220124 TZAKQICUINOLRE-QGZVFWFLSA-N 434.558 2.916 0 40 IFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220240254 GSFUGVNYKGFOJG-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB COc1cccc(-c2noc(CNC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)n2)c1 222592302 LLQQKUYUCXEROE-UHFFFAOYSA-N 442.497 2.605 0 40 IFAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 223172996 IWMSZSSTBDTWTC-LJQANCHMSA-N 448.541 2.527 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)c1 223621819 IBAWSJDDTMMJRA-UHFFFAOYSA-N 449.485 2.592 0 40 IFAB Cc1cc(C)c(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c(C)c1 225002266 RARBOFVQIGRESH-UHFFFAOYSA-N 431.558 2.853 0 40 IFAB O=C(c1cccc2c1OCCO2)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225545115 DCQKMIYGMQWKNU-UHFFFAOYSA-N 438.459 2.566 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)N1CCCC1 408595209 UHQOETVJEMWEDQ-UHFFFAOYSA-N 428.558 2.821 0 40 IFAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 408598021 YWBUEICXKFJFKB-UHFFFAOYSA-N 428.514 2.578 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 408650544 BMLMUHRGTZJMMJ-MRXNPFEDSA-N 443.887 2.578 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1 408713449 ZGHGZFUOKCVDAI-UHFFFAOYSA-N 435.933 2.770 0 40 IFAB CCOC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OC 408987835 YWHRCHHPWINGMB-NRFANRHFSA-N 439.468 2.904 0 40 IFAB CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1OS(=O)(=O)c1ccc(C)cc1 409068517 RUCVQAXGNBFFKP-UHFFFAOYSA-N 434.466 2.891 0 40 IFAB CCS(=O)(=O)N1CCC(CNC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 544442306 ITURIGPURRRAKS-UHFFFAOYSA-N 425.448 2.705 0 40 IFAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@]1(O)CCCN(c2ncccn2)C1 2037924042 NPCLUXSOJYANOY-RUZDIDTESA-N 439.604 2.805 0 40 IFAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3coc4ccccc4c3=O)cc2)n1 2709408 ZCQIMJNMWLZOIR-UHFFFAOYSA-N 436.449 2.945 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)NCc1ccccc1Cl)C2=O 3382077 QNHRQFZMDRNJFH-RCDICMHDSA-N 449.935 2.636 0 40 IFAB Cc1csc(NC(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2C)n1 8721360 PKOALSVMNGINHA-UHFFFAOYSA-N 430.559 2.908 0 40 IFAB O=S(=O)(NCCc1nnc2ccc(SCc3ccccc3)nn12)c1ccccc1 9116678 MTKZSQGAWXAIAH-UHFFFAOYSA-N 425.539 2.938 0 40 IFAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9127504 FBHHPRSFNZBVMK-UHFFFAOYSA-N 437.949 3.000 0 40 IFAB COc1ccc(NC(=O)[C@@H](NC(C)=O)C(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 9203410 JPHLAEOYMGUPBA-IBGZPJMESA-N 437.493 2.734 0 40 IFAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9417677 LVTPXFPJIWLDEE-GOSISDBHSA-N 437.562 2.557 0 40 IFAB COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 9630892 JTOVVWWWTXAFCW-UHFFFAOYSA-N 448.585 2.662 0 40 IFAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CS(=O)(=O)C3)cc1 10250482 WZAWPAUPKSZSBL-UHFFFAOYSA-N 442.541 2.554 0 40 IFAB O=C(COC(=O)COc1ccc2ccccc2c1)NCC(=O)Nc1ccc(F)c(F)c1F 10593296 ZLCDJYNGZBGKPJ-UHFFFAOYSA-N 446.381 2.934 0 40 IFAB Cc1noc(C)c1C(=O)N1CCC(c2nc(-c3ccncc3)ncc2S(C)(=O)=O)CC1 12133043 VBRJUKWPBROOTD-UHFFFAOYSA-N 441.513 2.567 0 40 IFAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCN(C(=O)C4CC4)CC3)C2=O)cc1C 12681858 VKWWBVBBIPUAPK-SANMLTNESA-N 446.551 2.611 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(N)=O)n2CC(C)C)c1 12692139 NZWVXBDEZAWTKK-AWEZNQCLSA-N 439.607 2.598 0 40 IFAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)C1=NN(c2ccccc2)C(=O)CC1 13098235 SRAZPTMOFRFRLU-UHFFFAOYSA-N 436.493 2.861 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 13108684 YMEKESZIBOEKSY-UHFFFAOYSA-N 445.566 2.964 0 40 IFAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NCCCN1CCOCC1 13556895 GOWVGEHRJFVPBM-UHFFFAOYSA-N 434.920 2.543 0 40 IFAB CSc1nc2nc(C)c(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)c(C)n2n1 15554572 HDXMTPRQAJFPPZ-UHFFFAOYSA-N 428.909 2.878 0 40 IFAB CC(C)NC(=O)[C@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@@H]1c1ccnc(N2CCCC2)n1 19452985 LEYDCOZDGVXDLO-IRXDYDNUSA-N 440.548 2.569 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)c1sc(C)nc1C)CC2 19711366 YKUSTVIBISCNHI-UHFFFAOYSA-N 428.562 2.516 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19741599 RLIWANFKWLSQMC-GOSISDBHSA-N 439.535 2.671 0 40 IFAB CC(C)c1nnc2ccc(N3CCC(C(=O)NC4CC(C)(C)NC(C)(C)C4)CC3)nn12 20725081 FPIGHZUMMDWFSA-UHFFFAOYSA-N 427.597 2.890 0 40 IFAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)NC1CCCCC1 21731845 FXQUHQMOSZJZSL-HNNXBMFYSA-N 440.537 2.607 0 40 IFAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nnc(SCC(N)=O)s2)c(C)c1 22762123 ALQFBAQAYQHPDW-JTQLQIEISA-N 425.561 2.561 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCN(CCOc4ccc(Cl)cc4)CC3)C2=O)cc1 22807706 VHWQGKKLXYUOPJ-OAQYLSRUSA-N 443.931 2.677 0 40 IFAB O=C(Cc1csc(N2CCCC2=O)n1)OCc1cc(=O)n2c(n1)sc1ccccc12 24764146 IYYXLPFFESELGR-UHFFFAOYSA-N 440.506 2.778 0 40 IFAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3nccnc3N)cc2Cl)c1 24865935 WIWGOIQPQVQQAE-UHFFFAOYSA-N 445.888 2.620 0 40 IFAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)CC3 25543390 ULFNXXIUYFEPFF-UHFFFAOYSA-N 439.537 2.696 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1 26115431 XEAGXYKWTFNHCZ-UHFFFAOYSA-N 425.890 2.695 0 40 IFAB COC(=O)c1ccccc1-n1ncc(NC[C@H]2COc3ccccc3O2)c(Cl)c1=O 30619556 ZHRQUGKMBKSTGV-ZDUSSCGKSA-N 427.844 2.924 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 32808566 CZOORTRYKOWXOS-NRFANRHFSA-N 428.510 2.590 0 40 IFAB CCC(CC)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 32915566 CVMOWRBXDNNUKH-JOCHJYFZSA-N 443.569 2.714 0 40 IFAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 38678247 FGLZHANMFYKTTQ-UHFFFAOYSA-N 447.538 2.839 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)Oc2ccccc21 38831804 QEOXUXDLMFMBIT-QFIPXVFZSA-N 443.569 2.516 0 40 IFAB Cc1ccn2cc(CNC(=O)c3cc(C4CC4)nc4c3c(=O)[nH]c(=O)n4CC(C)C)nc2c1 40158085 WAIMUWXSXFREHG-UHFFFAOYSA-N 446.511 2.504 0 40 IFAB CCN(CC)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 48340989 UEYKMSUFMQLXDP-UHFFFAOYSA-N 435.525 2.605 0 40 IFAB CN(C)C(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc21 58156656 BFWJEIHMSUGQBE-UHFFFAOYSA-N 440.525 2.657 0 40 IFAB CCn1c(=O)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O 58159441 CTLPYGZBCIRLQG-UHFFFAOYSA-N 444.535 2.632 0 40 IFAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(=O)NC(=O)NCc3ccccc3)C2)cc1 58224353 NAHJHZYLPDEULH-FQEVSTJZSA-N 437.544 2.855 0 40 IFAB Cc1sc(=O)n(CC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1-c1ccc(F)cc1 58434362 PKWQRRVMSUJOQU-UHFFFAOYSA-N 429.473 2.602 0 40 IFAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(N3C[C@@H](C)O[C@H](C)C3)nc2C1 72335572 QNUMIIOHSBFBEM-GVDBMIGSSA-N 440.544 2.761 0 40 IFAB CCOC(=O)C[C@H](c1ccccc1OCc1ccccn1)c1oc(CO)cc(=O)c1O 72401085 KKBOMRYLRSTGRI-GOSISDBHSA-N 425.437 2.897 0 40 IFAB C[C@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 84692287 PHGAZEUQOWNKIC-IBGZPJMESA-N 447.645 2.957 0 40 IFAB COCCCN(C(=O)Nc1c(C)cc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 95983794 KNVASLSPLZTSML-CQSZACIVSA-N 449.367 2.824 0 40 IFAB COc1ccc2cnn(CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)c(=O)c2c1OC 96232406 AIUNFFBNWYAMPV-FQEVSTJZSA-N 435.484 2.804 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139107 WRIFRSPQDJHICX-IFXJQAMLSA-N 446.511 2.711 0 40 IFAB CCOC(=O)c1ccc(N[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 102415328 ICMHVOPOYIJGJD-GOSISDBHSA-N 426.469 2.663 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1C(=O)N1CCCC1 223783058 JILOKVMEARNAMG-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB CN(C)c1ncc(CN2CCO[C@H](c3cc(CCOc4ccc(F)cc4)n(C)n3)C2)cn1 257242929 IETMNNNPWXZMLT-QFIPXVFZSA-N 440.523 2.610 0 40 IFAB COc1cccc(C(=O)N2CCC[C@@](C(N)=O)(c3ccccn3)C2)c1OCc1ccccn1 257249883 JKCYUUARRPOOQI-VWLOTQADSA-N 446.507 2.724 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@H]2CCCO2)cc1C 408551827 MSFHAXZTMJACSG-HXUWFJFHSA-N 446.569 2.532 0 40 IFAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408670244 WZFHPDYEQXSHHD-BLMTYFJBSA-N 444.915 2.962 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N3CCC(N(C)c4ncc(Cl)cn4)CC3)CC2=O)cc1 1848633273 ODVPMKIOCKEUAJ-HNNXBMFYSA-N 443.935 2.619 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(OC)n1 671496 KGUQTMKCZKVNIC-UHFFFAOYSA-N 432.433 2.686 0 40 IFAB CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4cccc(Cl)c4)c(=O)n3C2)cc1 2240557 FAHLCTDKCWIJAP-WQRHYEAKSA-N 427.913 2.624 0 40 IFAB Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 2728868 NUKGPZDCHALSJM-UHFFFAOYSA-N 442.944 2.951 0 40 IFAB CSCC[C@@H](C(=O)OCC(=O)Nc1ccccc1C)N1C(=O)c2ccccc2C1=O 3347187 WIMKRSOTKURNNO-SFHVURJKSA-N 426.494 2.895 0 40 IFAB O=S(=O)(c1ccc(Sc2nc(C3CC3)n(-c3ccccc3)n2)nc1)N1CCOCC1 9207648 RRNPGCIJCLAVCK-UHFFFAOYSA-N 443.554 2.712 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccccc3Cl)CC2)cc1 9219380 VOLABAUSFQKXEK-UHFFFAOYSA-N 435.977 2.613 0 40 IFAB CN(CC(=O)Nc1ccnn1Cc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 9379364 ZEETZHZEIFJAHF-UHFFFAOYSA-N 435.509 2.739 0 40 IFAB Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1C 9415912 NCBPXWGCLMMKEQ-IBGZPJMESA-N 448.566 2.511 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C1 9428042 IAUJOTIAZTYUJO-CQSZACIVSA-N 427.486 2.805 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CCc1ccccc1OC)n2CCC 9464685 RONCDMXDJDICIW-UHFFFAOYSA-N 442.516 2.781 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9509498 TXVAOAYRVPZBLL-APWZRJJASA-N 436.574 2.944 0 40 IFAB CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2)nn1 9650468 VJSGGKYZNSIZMI-UHFFFAOYSA-N 425.438 2.626 0 40 IFAB O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccc(Cl)c(Cl)c1 9827512 KJWJACCKQUBJIL-UHFFFAOYSA-N 429.329 2.692 0 40 IFAB COC(=O)c1sccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O 12414468 ICBFYYSVMFIOPO-UHFFFAOYSA-N 438.465 2.658 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)c1 12551898 YGOXJDJCKMJOCV-UHFFFAOYSA-N 442.516 2.979 0 40 IFAB COCCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(C(F)(F)F)cc1 12954205 HYZQKOPZZJONRX-AWEZNQCLSA-N 425.359 2.851 0 40 IFAB COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N2CCOCC2)=N1 15319983 HAYFWGXRARXSOK-HNNXBMFYSA-N 434.827 2.742 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccccn1 16050595 GZRNJOLPJAQYIO-NRFANRHFSA-N 443.594 2.994 0 40 IFAB CC(C)CN(C(=O)CN(C)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 16388246 UMVYXJMFHLWQFD-INIZCTEOSA-N 431.396 2.553 0 40 IFAB O=C(Cn1c(CO)cnc1SCC(=O)Nc1cccc(F)c1)NCc1ccc(F)cc1 17155102 COKRUSKAKZKVIL-UHFFFAOYSA-N 446.479 2.701 0 40 IFAB CC(C)(C)C1=NN(CC(=O)NCCCN2CCCC2=O)C(=O)c2cc3ccccc3n2C1 19082260 SHPHNQXHTCETFS-UHFFFAOYSA-N 437.544 2.628 0 40 IFAB CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CCC1)CC3 19085630 GSYAMDUAGKYRRN-LJQANCHMSA-N 425.533 2.829 0 40 IFAB Cc1ccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c(C)c1 19132585 KWLZQVAOXMDNQT-CYFREDJKSA-N 443.613 2.870 0 40 IFAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 19376191 OFVFTOOQRLSWDS-MOPGFXCFSA-N 429.524 2.967 0 40 IFAB COc1ccc(NC(=O)c2ccn(-c3nc(-c4cnn(C)c4)cc(C(F)(F)F)n3)n2)cn1 19640021 DQQYMGVBFIYCIQ-UHFFFAOYSA-N 444.377 2.738 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1OC 19739463 VWXUXMIEUOERJT-KRWDZBQOSA-N 438.528 2.660 0 40 IFAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 22376325 YUTMJEAJZSJRLG-MRXNPFEDSA-N 427.482 2.583 0 40 IFAB COc1cc2[nH]c3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)cnc3c2cc1OC 23125997 TVLXMRFCKAGCTO-UHFFFAOYSA-N 426.860 2.865 0 40 IFAB CCOC(=O)N1CCC(NC(=O)Cc2cc(O)nc(SCc3ccc(F)cc3)n2)CC1 23138067 BZVBXDDWPDSSRJ-UHFFFAOYSA-N 448.520 2.893 0 40 IFAB Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc(F)c(Cl)c2)c1 24597674 HCRWMVXEVKHQTR-KRWDZBQOSA-N 426.897 2.959 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)COC(=O)c1cc(Cl)c2c(c1)OCCO2 27823749 AQLUKWWBXDFUOK-CQSZACIVSA-N 433.844 2.566 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@@H]1c1ccccc1 29144482 IWSDMRVYJYFOGI-HSZRJFAPSA-N 434.540 2.988 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cnn(-c3ccccn3)c2C)c1 31875197 SBKYXOIHIJSATO-UHFFFAOYSA-N 443.529 2.867 0 40 IFAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 35300743 XBOVWAXHIBGDGJ-UHFFFAOYSA-N 443.978 2.664 0 40 IFAB CCN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1 39986905 NLUOBBDFWNBSNP-UHFFFAOYSA-N 426.494 2.896 0 40 IFAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(F)c(N3CCS(=O)(=O)CC3)c2)cc1 40151768 FDIZVEMSWCIXDJ-UHFFFAOYSA-N 434.489 2.671 0 40 IFAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)c2)n1 48285650 YRIGJUDKPTXJDJ-UHFFFAOYSA-N 442.497 2.684 0 40 IFAB Cc1csc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)n1 56932029 SWZWIQCPIFPBJD-UHFFFAOYSA-N 447.948 2.630 0 40 IFAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)N1CCCc2ccccc21 57506733 NUNSNBWUKNRNIO-UHFFFAOYSA-N 427.555 2.994 0 40 IFAB Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1S(C)(=O)=O 58157768 DPUIDIDADORUOC-UHFFFAOYSA-N 432.567 2.769 0 40 IFAB CC(C)OCCCNC(=O)C1CCN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 58415577 SEOWURSJPYJSEC-UHFFFAOYSA-N 446.548 2.814 0 40 IFAB Cc1cc2ncn(C[C@@H](O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C 71949257 FUAMUSMYDLJIHB-NLFFAJNJSA-N 432.524 2.970 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340241 FXGCNPNVFBQWKA-HQYOWAIWSA-N 442.556 2.809 0 40 IFAB O=C(c1ccc([C@@H]2CCCN2C(=O)CCN2CCc3ccccc32)nc1)N1CCOCC1 72374450 JIKGXQOZSZNPHQ-QHCPKHFHSA-N 434.540 2.670 0 40 IFAB COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)CCC(=O)O)c1 79112468 BKLWUBHXBQIEDV-LJQANCHMSA-N 445.497 2.609 0 40 IFAB CC[C@@H](C(=O)NCc1cc(OC)c(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 219084458 XIZGTSSLVQGWEH-KRWDZBQOSA-N 436.530 2.573 0 40 IFAB Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c1I 223564824 VUHWRNQFMBTZNQ-CABCVRRESA-N 442.326 2.596 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223664420 UOIKCKOJYGFBLI-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN(C)C)c(Cl)c2)cc1 224250656 BJPBTIKWAJHZMT-UHFFFAOYSA-N 439.965 2.855 0 40 IFAB C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 253377106 WAHZCDKYFHPKKJ-NXVXYNHZSA-N 439.560 2.515 0 40 IFAB COc1cccc(S(=O)(=O)N2CCC(COc3ccc(F)cc3)(CC(N)=O)CC2)c1 257314765 UYJJOBYBTIMMHH-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4OC)C[C@@H]2C3)cc1 306125785 DCDCUXJHAJFNOC-ZWKOTPCHSA-N 433.512 2.852 0 40 IFAB Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 408656703 OBUJAESANCYXQK-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408671921 YJXOZBLQWGSKNU-DIRVTVSLSA-N 425.268 2.506 0 40 IFAB COc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 408705029 XGPPQPWOHQBHQS-LBPRGKRZSA-N 440.905 2.913 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N(CCCCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1 575420298 AGVGSMGGJWQQNX-QGZVFWFLSA-N 431.576 2.633 0 40 IFAB COc1ccc([C@H]2CN(C)[C@@H]3CCN(CC(=O)NCCc4nc5ccccc5[nH]4)C[C@H]23)cc1 585261487 LLXVABFXGUNDEO-PQNGQFLHSA-N 447.583 2.650 0 40 IFAB CN(C)CCC(=O)N1CCC2(CCCCOCCNC(=O)c3ccccc3OC2)CC1 643571718 RIBUYLAIOVLVGL-UHFFFAOYSA-N 431.577 2.556 0 40 IFAB COc1ccc(Cl)cc1C(=O)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1775967717 AIEHYJOJDPOYGN-UHFFFAOYSA-N 427.892 2.643 0 40 IFAB COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCOCC2)cc1OC 2322229 OPYMFQZBUFPGKU-ZHZULCJRSA-N 449.507 2.825 0 40 IFAB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1CCC(C)C 3357745 LOAKAUBIUXUJCD-UHFFFAOYSA-N 425.485 2.580 0 40 IFAB CN(C)Cc1cn([C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)(C)C)cc4)CO[C@@H]32)nn1 4260837 KIZHCLZLGZZTRL-MTQWCTHYSA-N 429.521 2.593 0 40 IFAB biogenic,in-vitro CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1 8590570 UEPBCVPHLCJSAP-UHFFFAOYSA-N 430.299 2.840 0 40 IFAB CCCCCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O 8825754 XURXTUKDPMISOY-UHFFFAOYSA-N 441.576 2.895 0 40 IFAB COc1ccc(OCC(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 8843365 GZLZRZLOLFEFII-UHFFFAOYSA-N 430.526 2.884 0 40 IFAB CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)cc1 9194367 POIBNAXVESVWBM-UHFFFAOYSA-N 445.907 2.803 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9377196 NDYFYTUKNMSUCR-ZDUSSCGKSA-N 427.482 2.794 0 40 IFAB COc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C 9519175 HTSJEAWZBJIHIM-UHFFFAOYSA-N 431.496 2.804 0 40 IFAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1 9584653 MIKJGLAOBUGRDW-HSZRJFAPSA-N 435.484 2.559 0 40 IFAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 9709493 GQMDQJMXUMPUOA-UHFFFAOYSA-N 440.529 2.956 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NC12CC3CC(CC(C3)C1)C2 9788474 QIJXONADWSDPMH-UHFFFAOYSA-N 427.469 2.925 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3OC)C2)cc1C 9974593 DBDCJRHZBAVQBL-SFHVURJKSA-N 432.542 2.729 0 40 IFAB COc1ccc(-c2cc(NS(=O)(=O)c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 11795869 JKEOISLHQHEOQF-INIZCTEOSA-N 447.538 2.719 0 40 IFAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCC1=CCCCC1 12004549 LUZARDSPXLYMMP-UHFFFAOYSA-N 428.576 2.794 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 12109589 PTUAIDHQCDUGRN-LJQANCHMSA-N 433.505 2.660 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O 12181940 PHHOSXOCKXHNAW-UHFFFAOYSA-N 441.495 2.624 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H](c3cc(O)nc(-c4cnccn4)n3)C2)cc1OC 12329141 FZEPDDPALNOVTN-INIZCTEOSA-N 435.484 2.605 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 12650998 YMYDLUZCNVOAPU-UHFFFAOYSA-N 432.542 2.851 0 40 IFAB O=C(CC1(CC(=O)N2CCOCC2)CCCC1)O[C@H](C(=O)NC1CC1)c1ccccc1 12851075 JVRNRNFWKDPHRR-QFIPXVFZSA-N 428.529 2.749 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 12885426 VZSJQVWOPGPXNH-UHFFFAOYSA-N 445.629 2.934 0 40 IFAB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)NCCN1C(=O)CSC1=O 13098900 GAJZUDGDENLGRN-XNTDXEJSSA-N 448.497 2.783 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 13992369 JEBANVOGCCSBKK-UHFFFAOYSA-N 447.422 2.718 0 40 IFAB CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 16034286 VNNZLGIBHWIYBJ-BSDSXHPESA-N 443.297 2.831 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 16125428 YZRBAJGEWYLAKP-UHFFFAOYSA-N 432.502 2.545 0 40 IFAB COc1ccc(-n2nnnc2-c2cnc(N3[C@H](C)COC[C@H]3C)nc2C(F)(F)F)cc1 16609666 QXRBDLBKKRKMFF-VXGBXAGGSA-N 435.410 2.760 0 40 IFAB CC(C)n1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c2ccccc2c1=O 16684676 NJLOKUHKKDQQQD-UHFFFAOYSA-N 431.456 2.845 0 40 IFAB CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(O)n4n3)CN(C(C)C)CC5)CC2)no1 19522601 LFYVXQPCDNLRJZ-UHFFFAOYSA-N 438.532 2.772 0 40 IFAB Cc1nc(C2CCN(CC(=O)N(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 19739515 USRVLVTTWAVIBH-UHFFFAOYSA-N 435.572 2.575 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19740599 ATLZJLQSAWQEEU-LJQANCHMSA-N 446.511 2.976 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)n1 19744935 TYFUSSUNPKPWQM-QFIPXVFZSA-N 436.556 2.619 0 40 IFAB NC(=O)c1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)nc2ccccc12 19762879 YQSXSXMHMHZUSZ-IBGZPJMESA-N 431.901 2.749 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)c3ccccc3)CC2)cc1C 21816165 NCZSBALEOWOLOZ-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)NC[C@H]1COc2ccccc2O1 22090730 JZFOVZAVUIXJNR-INIZCTEOSA-N 426.498 2.845 0 40 IFAB O=C(Nc1nc2c(ccc3ccccc32)s1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 22364880 WRYRKAWJSHCBLJ-CYBMUJFWSA-N 442.522 2.554 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1 23737949 TZAKCOCVUXEYLM-SQJMNOBHSA-N 434.540 2.715 0 40 IFAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n(N)c2=O)cc1 27546272 MNJLTCCEBLICGM-UHFFFAOYSA-N 439.541 2.689 0 40 IFAB Cc1nc(Cc2ccccc2)sc1C(=O)NCCCN1CCN(c2ncccn2)CC1 30597191 MHJFTDGUASYNTC-UHFFFAOYSA-N 436.585 2.774 0 40 IFAB CN(C)CCCN[C@@H](C(=O)O)c1cn(CCC(=O)O)c2cc(Br)ccc12 36365895 XUOAFSDUVZCOKS-QGZVFWFLSA-N 426.311 2.546 0 40 IFAB C[C@H]1Oc2c(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cccc2[C@H]1C 36387060 UUILXVLLKFPRLU-JKSUJKDBSA-N 429.542 2.759 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2OC)cc1 39985519 IQILLFMBPLSHAL-UHFFFAOYSA-N 434.514 2.830 0 40 IFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(Cc2ccccc2)CC1 40017880 OYBAKLFFMGJPGL-KRWDZBQOSA-N 427.570 2.566 0 40 IFAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1nnc2n1CCCCC2 40088909 PETSIYIYULXQLD-FQEVSTJZSA-N 436.560 2.828 0 40 IFAB CCCCn1c(N)c(N(C)C(=O)CCOc2cc(Cl)ccc2Cl)c(=O)[nH]c1=O 40140512 NYPRMNGTQBHPJU-UHFFFAOYSA-N 429.304 2.658 0 40 IFAB Cc1ccccc1CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)Cc2ccccc2)CC1 40156201 FAHOKVJVVQTMPX-FQEVSTJZSA-N 429.586 2.537 0 40 IFAB CN1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)[C@@H](c2ccccc2)C1 48301022 UVBCXRNKICULBX-LJQANCHMSA-N 441.329 2.674 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)F)s3)cc2)C[C@H](C)O1 48361814 PXOIKHNYSZSKKA-UWVGGRQHSA-N 432.474 2.526 0 40 IFAB COc1cccc(CNC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c1 49002190 MFQDTVRCZFCZPQ-UHFFFAOYSA-N 448.523 2.656 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 58161479 HRQRCWSIOSPSKW-IBGZPJMESA-N 425.489 2.562 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N4CCOc5ccc(C)cc54)c(=O)n3c(C)n2)cc1 67226579 FKRJXSXIJGKTRZ-UHFFFAOYSA-N 445.479 2.609 0 40 IFAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cc(Cl)ccc2OC)c(=O)c1=O 67256787 PVGDKQUHPGXBJY-UHFFFAOYSA-N 429.860 2.699 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2Cn2ccnc2)s1 71795984 SUMOVOOWYJEPSC-IBGZPJMESA-N 444.582 2.771 0 40 IFAB CC(=O)Nc1ccc(CN2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)cc1 72334513 DVHXXUWGRRPBSU-BKMJKUGQSA-N 448.567 2.716 0 40 IFAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)c2ccc(C(N)=O)cc2F)CC1 72348302 IIUFINQHNNHIMQ-UHFFFAOYSA-N 440.862 2.983 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)n1 72406124 XTFQQKJSBAFSRR-UHFFFAOYSA-N 449.492 2.654 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CCCN(c2nc(C)cc(C)n2)C1)c1nnc2ccccn12 95474042 FIROJLYMDIRMDX-MSOLQXFVSA-N 439.589 2.963 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 103513627 LETHFPKVHTZPFC-WTGUMLROSA-N 435.867 2.946 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)ccc1OC 222901906 QXVYKHXAUHPPAY-LLVKDONJSA-N 439.331 2.957 0 40 IFAB CCc1ccc(N(CCCC(=O)NCCOc2cccc(OC)c2)S(C)(=O)=O)cc1 224747474 HOBXCBCTMLAFSW-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1OC 224830128 QJJYOWSPMGPOSE-UHFFFAOYSA-N 431.558 2.519 0 40 IFAB COCCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCC[C@@H](C)C2)n1 225901363 DPMBOOFDQAHJMF-CQSZACIVSA-N 433.607 2.977 0 40 IFAB CN(C)S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccc(F)cc3)c2)C1 257289227 PXQGRJRSMQJIRO-QGZVFWFLSA-N 444.536 2.819 0 40 IFAB CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257342072 ZMYJKZNBGNNVQY-TXMLBVJWSA-N 443.588 2.783 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658638 LJAWYZZSXZTYSO-HPSDOGTCSA-N 437.279 2.671 0 40 IFAB CC(CNC(=O)COc1cc(F)cc(F)c1)CNC(=O)COc1cc(F)cc(F)c1 583461523 RZALPBRLRFBJRU-UHFFFAOYSA-N 428.382 2.569 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584767 RVVMWBVFRJRAGR-XMMPIXPASA-N 437.584 2.990 0 40 IFAB O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)N1Cc2cccc(Br)c2C1 681501897 ZRWFSHOAXFDJQD-LBPRGKRZSA-N 425.308 2.553 0 40 IFAB CNC(=O)C1(CC2CCNCC2)CCN(C(=O)C2(Cc3ccccc3)CCOCC2)CC1 2037846468 ZZLAFLGUJSXNDQ-UHFFFAOYSA-N 441.616 2.770 0 40 IFAB O=C(CCc1nc2ccccc2[nH]1)NCC1(O)CCN(c2ccnc3ccncc23)CC1 2037853980 SAJMRGCKZBEPIN-UHFFFAOYSA-N 430.512 2.586 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 3237408 SPIMAMJMTJXRFW-RMKNXTFCSA-N 431.441 2.925 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 3329658 ILGTXRSOZQEAFL-UHFFFAOYSA-N 445.522 2.579 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3569785 QMGAHUZCBCPHOO-UHFFFAOYSA-N 441.509 2.743 0 40 IFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC(C)=O)cc3)N2C1=O 3636781 NQOHBBOMKJQTJR-FUHWJXTLSA-N 432.498 2.840 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8680943 IDOKZVLWQAAHJT-BEFAXECRSA-N 434.514 2.610 0 40 IFAB CCCCOCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918186 NVXBYTOVDZEMRB-FYSMJZIKSA-N 440.544 2.915 0 40 IFAB biogenic Cc1cccc(OCCCC(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 9125060 BOMRLKRQNWIXMH-IBGZPJMESA-N 433.574 2.986 0 40 IFAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1n2CCCN1Cc1ccco1 9156822 VYYFGBYVEJHLKL-UHFFFAOYSA-N 425.876 2.602 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2-n2cnnn2)c1C 9222638 FEQJASVUERCDBK-SFHVURJKSA-N 434.500 2.539 0 40 IFAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 9302562 DRRJMOYGARHGOU-UHFFFAOYSA-N 443.558 2.764 0 40 IFAB Cc1sc2nc([C@@H](C)OC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)[nH]c(=O)c2c1C 9594051 FEVMRWFHKGQCGM-MRVPVSSYSA-N 441.918 2.820 0 40 IFAB CCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 9613980 OVTOOPWAKRWZOG-FUHWJXTLSA-N 426.966 2.618 0 40 IFAB Cc1cccc(C)c1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9743494 JIVAZZZDMNWWQU-IBGZPJMESA-N 443.569 2.992 0 40 IFAB COc1cc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc(OC)c1OC 10252019 YSDHYFYOZQYRRL-UHFFFAOYSA-N 449.467 2.609 0 40 IFAB O=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21 11666033 VVJFXKQHDBVJHX-UHFFFAOYSA-N 447.568 2.573 0 40 IFAB O=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 12557250 LKVIEVBBDIWIAH-UHFFFAOYSA-N 441.962 2.945 0 40 IFAB COc1ccc(-c2noc(CN3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C3=O)n2)cc1OC 12614085 HYJLBGVKBLFVPN-KRWDZBQOSA-N 447.451 2.898 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n4ccsc4n3)cc2)CC1 12785456 WSUBBGDMGXVJLM-UHFFFAOYSA-N 447.538 2.534 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC)s1 12851384 HZTHHKBOGXXDDO-SNVBAGLBSA-N 435.535 2.527 0 40 IFAB COc1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)cc1 12892164 GLTDUOHUWOPDNP-LNEBKTTKSA-N 443.503 2.822 0 40 IFAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 12902591 SIXUSIJBZINQEI-SFHVURJKSA-N 431.533 2.674 0 40 IFAB O=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12998307 GCYQTLKBZLXDTL-UHFFFAOYSA-N 436.892 2.788 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)N1CCCCCC1 13624018 HDRRAQURQIVQIN-SFHVURJKSA-N 433.574 2.617 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 14360410 BOXQQDYGIFRQPK-UHFFFAOYSA-N 425.441 2.717 0 40 IFAB CC(C)[C@H]1N[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024551 YGUKFBBBTVXVDY-UJKGCTCZSA-N 434.334 2.624 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)NCCOc2ccccc2)cc1 16695781 RGEOALJWWKBPNY-GOSISDBHSA-N 433.574 2.563 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)C1 18223760 GRWQKIOWEFHIFY-HZPDHXFCSA-N 435.571 2.717 0 40 IFAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2nc(C)nc2C)cc(N(C)C)n1 19285777 NLILSVCCRZMFHT-FQEVSTJZSA-N 432.532 2.641 0 40 IFAB COc1ccccc1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 19497308 HBWMBSHLITYODN-IRXDYDNUSA-N 440.544 2.616 0 40 IFAB COCC(=O)N1CCC[C@H](c2cc(O)nc(C3CCN(Cc4ccsc4)CC3)n2)C1 19592789 FUQZUWBRFAXNIV-SFHVURJKSA-N 430.574 2.976 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3c(C(N)=O)sc4ncccc34)C2)cc1F 19702931 ZKZACLWRPKFDJE-OAHLLOKOSA-N 435.502 2.605 0 40 IFAB COC(=O)[C@@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 20150618 FXGOZSQZXFQEMS-IAGYGMIVSA-N 430.551 2.863 0 40 IFAB CCOC(=O)[C@]1(C)N[C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 20150883 GOVUQBBUCNXHLN-NRVIRDBHSA-N 428.510 2.837 0 40 IFAB O=C(CN1CCN(C(=O)/C=C/c2ccc(Br)o2)CC1)NCc1ccccc1 22598723 QHRBONJUPQXFSP-VQHVLOKHSA-N 432.318 2.516 0 40 IFAB C[C@@H]1CCN(C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc2S1 22914893 HUUWWEQODHONBQ-LJQANCHMSA-N 430.618 2.534 0 40 IFAB CC(C)c1noc(CN2CCN(Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)n1 23186060 VNTAGOHPNGEPCR-UHFFFAOYSA-N 443.943 2.675 0 40 IFAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24177550 UBBPORSLYSFJCD-QFIPXVFZSA-N 438.524 2.974 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 28700279 NFLHOMOXBSZZGB-UHFFFAOYSA-N 440.525 2.574 0 40 IFAB C[C@H](CC(=O)N1CCN(c2ccccc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1 33252797 JSPCJTUFXCSQSZ-KRWDZBQOSA-N 426.542 2.964 0 40 IFAB CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1cccc2ccccc12 35056762 FYTGFTLKWMSTHB-GSKAWHTLSA-N 425.437 2.516 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 36594928 MMCQWVLEAZAZPW-NVXWUHKLSA-N 425.558 2.806 0 40 IFAB O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cs1 38739485 KHMQQFQAFDGTDP-IZZDOVSWSA-N 431.481 2.952 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1 40399187 HKIVNCHJMJXCOK-MRXNPFEDSA-N 447.451 2.755 0 40 IFAB O=C(NCCCN1CCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 44884998 NIFREMCZDWIAPX-UHFFFAOYSA-N 445.988 2.623 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCSCc1ccccc1F)O2 44909146 SSHRDVWQIPUNCX-LJQANCHMSA-N 438.546 2.711 0 40 IFAB COC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@H]1c1cccs1 57415944 AHDYVZLAXNFDGH-NRFANRHFSA-N 440.569 2.968 0 40 IFAB CCCCN(CC)C(=O)Cn1c(=O)n(Cc2cccc(OC)c2)c(=O)c2sccc21 57486002 VEQDTJHSPOKUBE-UHFFFAOYSA-N 429.542 2.930 0 40 IFAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCNC(=O)Cc1cccc(F)c1 72097064 LFSRABJINVNXCD-JOCHJYFZSA-N 439.531 2.600 0 40 IFAB CNS(=O)(=O)c1ccccc1N1CCN(CCOc2cccc3ccccc23)CC1 89395946 HAKIYZHWKPMODZ-UHFFFAOYSA-N 425.554 2.949 0 40 IFAB CC1(C)C[C@H](NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)CCO1 95473248 KRBCPYPKTBOXHA-WCQYABFASA-N 435.322 2.752 0 40 IFAB COc1cc(OC)cc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)c1 101262240 PECZLSSFVGRJFR-RTBURBONSA-N 448.439 2.556 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220088518 QXOLHNGQWPLMMV-UHFFFAOYSA-N 439.484 2.899 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 220104848 GXJLGLUKMFJEDZ-UHFFFAOYSA-N 445.585 2.584 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)c1 220220060 TZAKQICUINOLRE-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220601896 AHGJTCQBYFCPHT-BEFAXECRSA-N 438.521 2.963 0 40 IFAB O=C1CCCN1c1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 223117910 ACGKQPJDKAMLBZ-UHFFFAOYSA-N 439.537 2.591 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1CCN1CCOCC1 223133549 PEXWSBABAYVLJL-GOTSBHOMSA-N 448.596 2.631 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC[C@@H](C)C3)CC1)O2 248334563 LTILUIFHQLGOCN-NXMSCROESA-N 427.545 2.516 0 40 IFAB CN1C(=O)N(CC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3)n2)C(=O)C12CCCCC2 257308290 TWEWXUSPOJLLRF-GOSISDBHSA-N 436.516 2.528 0 40 IFAB Cc1cccc(CN2C[C@H]3[C@@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccn2)c1 306143249 XXCLNCGGWFMQGK-LEWJYISDSA-N 436.537 2.621 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCCCO 408533311 QFNMNZMNNNIVMT-UHFFFAOYSA-N 433.313 2.672 0 40 IFAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 408628091 SYVZYEHWDRPNQJ-UHFFFAOYSA-N 433.530 2.582 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c(C)c1 408651791 DYCJWUKNMPEGTK-INIZCTEOSA-N 443.887 2.632 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@@H]1c1cccs1 408867646 LQYGSHUQYSFSOK-XSVZSIDJSA-N 425.535 2.881 0 40 IFAB COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)cc(I)c1O 409190197 MLUYPZXGZRYZJK-YHYXMXQVSA-N 433.227 2.650 0 40 IFAB COc1ccc(CCC(=O)N2CCC[C@]2(COC(C)=O)CC(=O)N2CCCC2)cc1OC 643587063 RQDMKWLWVBNAPB-XMMPIXPASA-N 446.544 2.573 0 40 IFAB COC(=O)Nc1ccc(C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1557695807 CCQYDOWXFJOJFN-UHFFFAOYSA-N 425.489 2.511 0 40 IFAB O=C(NCC(F)(F)C1(O)CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1647848387 DYJGZPCEUFZJAW-GOSISDBHSA-N 444.544 2.675 0 40 IFAB O=C(NC[C@@H]1CCCN1CCCO)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 1668276766 JIQRARZGIRAWJA-SFHVURJKSA-N 431.924 2.956 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCC(COc2ncc(Br)cn2)CC1 1775969629 DALQQKNNVAFLDI-UHFFFAOYSA-N 442.335 2.727 0 40 IFAB CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 800585 GVBDYIPWRSRQRT-UHFFFAOYSA-N 438.933 2.793 0 40 IFAB Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCOCC3)c(=O)[nH]c2cc1C 1362231 VGPGWTCUUSWKNK-HSZRJFAPSA-N 444.539 2.796 0 40 IFAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 3303025 UEUVLHFBAASLRP-QGZVFWFLSA-N 447.900 2.820 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)Cc5cccs5)CC4)nc32)cc1 4439362 JJBVPOUZGBULCY-UHFFFAOYSA-N 448.552 2.882 0 40 IFAB CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 6149654 SBLIAQCSNVNLJH-HNNXBMFYSA-N 432.546 2.536 0 40 IFAB O=C(Cc1cccs1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4)c3n2)CC1 6529224 NDDSGZLMPWVNAE-UHFFFAOYSA-N 434.525 2.985 0 40 IFAB CCc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc1 9119194 HZKJMOGPEXXGLU-UHFFFAOYSA-N 443.544 2.825 0 40 IFAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@H]1C=CS(=O)(=O)C1 9302907 LEZJLKDPMQACMM-AWEZNQCLSA-N 445.880 2.919 0 40 IFAB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(F)cc3)C2)cc1 9380813 HSTRDVLHTUSIMC-SFHVURJKSA-N 425.507 2.698 0 40 IFAB CCc1ccc(-c2n[nH]c(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2)cc1 9500501 MREAZBOJFQSOOS-KRWDZBQOSA-N 436.603 2.798 0 40 IFAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)NC(=O)NCc1ccco1 9630781 KAFDVFQUKVVCKW-UHFFFAOYSA-N 445.435 2.710 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 9642021 SKQBQMPICVZURX-UHFFFAOYSA-N 430.574 2.721 0 40 IFAB CCn1c(SCC(=O)N[C@H](C)CCc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 9645347 VMIJXCBYLQVMRQ-OAHLLOKOSA-N 446.598 2.933 0 40 IFAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9762596 IMZBTUGEUBCCQU-UHFFFAOYSA-N 433.917 2.925 0 40 IFAB COc1ccc(C[C@H](C)NS(=O)(=O)c2cc3c4c(c2)c(C)cc(=O)n4CC3)cc1OC 12444914 GYLOXQCAFZBLLX-HNNXBMFYSA-N 442.537 2.793 0 40 IFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N[C@H](c1ccccc1F)c1nccn1C 12602628 MUWBLKJVBXSVRT-CSNYQSHPSA-N 445.472 2.734 0 40 IFAB CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)C(C)C)cc1 12875021 TXCSUEWEIAHOCD-VXKWHMMOSA-N 444.620 2.940 0 40 IFAB biogenic CCCCn1c(N)c(N(CCC)C(=O)COc2ccc(F)c(Cl)c2)c(=O)[nH]c1=O 12901698 IGGFTLYUWLZYPB-UHFFFAOYSA-N 426.876 2.533 0 40 IFAB CC1CCC2(CC1)NC(=O)N(NC(=O)CCc1nc(-c3ccc(Cl)cc3)no1)C2=O 12912789 WXDSQAREIKWNDJ-UHFFFAOYSA-N 431.880 2.855 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 12931434 HXUTUFCMFADHEP-JOCHJYFZSA-N 441.597 2.938 0 40 IFAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12995630 UWVUZLWPUUIUEI-UHFFFAOYSA-N 436.892 2.788 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2coc(-c3cccs3)n2)CC1 13150040 FGWSCZWQINAHLS-UHFFFAOYSA-N 447.538 2.681 0 40 IFAB CCn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)nnc1-c1ccco1 13254454 YPUOFSUUQLFRSG-INIZCTEOSA-N 439.497 2.944 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)cc1 14247532 WMNIZBWEZZXNQH-UHFFFAOYSA-N 445.476 2.552 0 40 IFAB CCn1c(SCC(=O)OCC(=O)Nc2cccc3nsnc23)nnc1-c1ccco1 19080019 PZYHNOICGWPUMW-UHFFFAOYSA-N 444.498 2.837 0 40 IFAB COCCn1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1 19594091 GOCXGKDRGNUYOB-NRFANRHFSA-N 442.951 2.893 0 40 IFAB CC(C)c1ncc(CN2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)cn1 19703346 DAPHAYIGJZXLCX-QGZVFWFLSA-N 441.557 2.505 0 40 IFAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19755724 DFTDSRHGLXMICG-OAQYLSRUSA-N 438.528 2.562 0 40 IFAB C[C@H](C(=O)NC1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NS(C)(=O)=O)[C@@H](C)[C@@H]2[C@H]1O 20467363 DMIMAKNMSOGHJQ-HFKHWUNNSA-N 428.639 2.813 0 40 IFAB biogenic,in-vitro O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 21293551 ODDJNMQPPGKDDZ-GFCCVEGCSA-N 442.950 2.779 0 40 IFAB CC(C)CN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 21612927 CGFUZSIYPWXSPL-MRXNPFEDSA-N 445.965 2.712 0 40 IFAB Cc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)cc1 23115099 ZHAVRIROEMXBRF-LJQANCHMSA-N 429.498 2.909 0 40 IFAB O=C(CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)NCc1ccco1 24277936 DEUUEOYSOWLHKB-UHFFFAOYSA-N 447.900 2.780 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc(C(=O)OC)c1 24833630 JNHSUINKRLMLQF-INIZCTEOSA-N 430.482 2.955 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 24980702 IPFFBMKANSLYFR-IAQYHMDHSA-N 433.313 2.694 0 40 IFAB O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H](c1cccs1)N1CCCC1 27606095 KFSCRHHTEZWABG-LBPRGKRZSA-N 426.336 2.787 0 40 IFAB COc1ccc(-c2nn(CN3CCC(C(=O)N4C[C@H](C)O[C@H](C)C4)CC3)c(=S)[nH]2)cc1 32926837 IRSGOVYBAGZZFB-IYBDPMFKSA-N 445.589 2.922 0 40 IFAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1)C(=O)OC 36593651 QATGDIKBGJSNQD-YHBQJITHSA-N 430.505 2.672 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 38755802 BICCTBUQYGHMPQ-CABCVRRESA-N 436.530 2.744 0 40 IFAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cnc2ccccc2n1 39975951 WDKGOUPHANOTLT-VXLYETTFSA-N 448.460 2.825 0 40 IFAB CC(C)Oc1cccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44882705 OMJVXBOMDCKOFZ-IBGZPJMESA-N 438.933 2.971 0 40 IFAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 48304142 LLYKCUIZDSTIHQ-IBGZPJMESA-N 437.521 2.976 0 40 IFAB CC[C@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O 57505797 TUBCAVBEVAQRAA-FQEVSTJZSA-N 434.544 2.553 0 40 IFAB O=S1(=O)CC[C@H](N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)C1 58161815 YWUHZYADRBGVSP-INIZCTEOSA-N 432.546 2.807 0 40 IFAB O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1-c1ccccc1)N1CCSCC1 58363151 JJMRPUMYSOHZMK-GOSISDBHSA-N 434.608 2.993 0 40 IFAB CCN(CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1C 58932368 MCMQROORYQHURG-UHFFFAOYSA-N 430.979 2.857 0 40 IFAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 60248139 QMKYFHUQNQQCRU-UHFFFAOYSA-N 428.514 2.684 0 40 IFAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 69526062 GKJZSLFMBGXASP-UHFFFAOYSA-N 427.482 2.712 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)Cn2nc(C)nc2C)C1 72352164 MUVQROCIRGIHKI-INIZCTEOSA-N 441.557 2.502 0 40 IFAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3cccnc3)CC2)C1 72380151 PBSGRDBTOCBVFP-JOCHJYFZSA-N 448.567 2.758 0 40 IFAB COc1ccccc1O[C@H](C)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395653 KNZBMYDNTCKOJK-VNQPRFMTSA-N 435.475 2.983 0 40 IFAB O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 95478476 UJEFBOAZDKUKRL-JOCHJYFZSA-N 434.540 2.525 0 40 IFAB Oc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)cc1 111999926 OIXCRNQNALISOZ-MRXNPFEDSA-N 438.245 2.999 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222980767 BYLDOJPCJSWNCA-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1C 223060072 QQXPTKGRQDOUMH-UHFFFAOYSA-N 432.477 2.792 0 40 IFAB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223687463 QYTRCZMTIBHWIV-UHFFFAOYSA-N 448.541 2.674 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1C(=O)N1CCCC1 224029980 IKPLQJVOXBBCOB-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB Cc1ccccc1C1(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CCOCC1 225093442 NXHSIFZYHYUPCW-UHFFFAOYSA-N 442.537 2.675 0 40 IFAB COC[C@H](C)NC(=O)CN1[C@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 253377652 XSKBOMNEVJSEBN-WJPUGNRLSA-N 435.528 2.618 0 40 IFAB COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)cc1 257265797 MAHVSDARKNDHLP-SANMLTNESA-N 439.600 2.596 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c(OC)c1 408652203 FTEOLAIWNVHUKE-INIZCTEOSA-N 426.469 2.855 0 40 IFAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 408661510 WDOCOTODRLSNPW-OAHLLOKOSA-N 443.887 2.578 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Br)cc2)C1=O 409238589 AZGWGTCWSVNZFQ-XNTDXEJSSA-N 430.258 2.989 0 40 IFAB O=S1(=O)C[C@@H](N(CCNCc2cccc(Cl)c2)Cc2ccccc2Cl)[C@@H](O)C1 575420926 LBDSYOHBVGGFRW-UXHICEINSA-N 443.396 2.743 0 40 IFAB CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)CC[C@H]2C1 1228281435 NKXWCSOHOLAICM-OBVSXPTNSA-N 443.610 2.677 0 40 IFAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 802579 KVFAJOMIWUJDIE-FQEVSTJZSA-N 443.431 2.653 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccccc1OC 1082151 NFRXXSPDCITWPY-LYPXWFNGSA-N 440.546 2.868 0 40 IFAB CCOc1ccc(N(CC(=O)NCc2ccc(OC)cc2)C(=O)c2csnn2)cc1 1346514 VUCZFVQSPFAWIL-UHFFFAOYSA-N 426.498 2.909 0 40 IFAB CCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 2938189 KVROYZZTEJIIHG-QGZVFWFLSA-N 425.348 2.865 0 40 IFAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2OC)cc1 3293042 JMXVRFCXOVVSJW-UHFFFAOYSA-N 440.525 2.902 0 40 IFAB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1nc(-c2ccc(F)cc2)cs1 3306123 WTOITYXSIVVDPD-UHFFFAOYSA-N 438.444 2.785 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccco4)c(=O)n2C3)cc1 4237186 HTCOMHIBIMPSLH-JKSUJKDBSA-N 426.494 2.925 0 40 IFAB biogenic,in-vitro CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(OC)cc2)CC1 4414040 MXFPEEHLUWEJNC-UHFFFAOYSA-N 427.501 2.641 0 40 IFAB O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 6152645 MZFPGAXBHCHSIN-UHFFFAOYSA-N 427.448 2.818 0 40 IFAB CC(C)OC(=O)c1cccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)c1 8613838 MBZGZALRVSWBJL-UHFFFAOYSA-N 426.498 2.936 0 40 IFAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 8670634 PWTVWAXQEJCFMY-CQSZACIVSA-N 434.518 2.548 0 40 IFAB CCOc1ccccc1CN1C(=O)[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2ccccc21 8843720 OBLPHFXFPBSWCN-QFIPXVFZSA-N 438.509 2.787 0 40 IFAB CCn1c(S[C@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc(S(N)(=O)=O)ccc21 9114757 NPCYBANIUDLSFA-GFCCVEGCSA-N 436.563 2.600 0 40 IFAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9190921 PDSVVZNVKWYGTP-CQSZACIVSA-N 435.933 2.938 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccc(Cl)cc3o2)cc1 9507437 GNUNYUUDLXHPQK-UHFFFAOYSA-N 425.919 2.580 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 9526713 XJQAPGYOPLAETC-UHFFFAOYSA-N 426.904 2.698 0 40 IFAB COc1cccc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)c1 9530166 JHKMYNOYRPCPCA-UHFFFAOYSA-N 431.470 2.560 0 40 IFAB CCOC(=O)C1=C(CSc2nc3cc(C(=O)OCC)ccc3n2CC)NC(=O)N[C@H]1C 9546062 ZRVBODTUPYULHU-LBPRGKRZSA-N 446.529 2.844 0 40 IFAB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1C(=O)c1ccccc1 9669727 PTFXUMMDKBQZGD-UHFFFAOYSA-N 435.457 2.919 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807127 RYPMFIJYTXVMTN-IBGZPJMESA-N 429.542 2.520 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccc(=O)n(C)n3)c2)cc1 10325194 JLUCSSLAGUWVAK-UHFFFAOYSA-N 440.525 2.730 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F 12537431 KJYCMGTWNDKIOJ-LJQANCHMSA-N 433.867 2.544 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12568533 SFALGKYMHWEEBG-CSKARUKUSA-N 442.537 2.535 0 40 IFAB Cc1nn(C)c2ncc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3C(F)(F)F)cc12 12798971 OWJNKUZVSAJIHT-NSHDSACASA-N 441.435 2.601 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)NC1CCCCC1 12859104 SZLGWPAEVGQRIU-UHFFFAOYSA-N 434.389 2.749 0 40 IFAB COC(=O)c1c(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)sc2c1CCCC2 12946390 PHZGUOOLUPPIQC-UHFFFAOYSA-N 440.525 2.721 0 40 IFAB Cn1c(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)cnc2n(C)c1=O 13020429 OZQLXJACNWURSB-NRFANRHFSA-N 440.459 2.898 0 40 IFAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 13112917 FVATYOQXUAQGQV-UXBLZVDNSA-N 448.516 2.527 0 40 IFAB CCCCn1c(=O)c(CCC(=O)OCC(=O)NC(=O)NCCC(C)C)nc2ccccc21 13140353 CCTFMIFRAMZNMB-UHFFFAOYSA-N 444.532 2.544 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccc2OC)cc1 15391195 ZRCHMODISVVLRF-GOSISDBHSA-N 432.542 2.954 0 40 IFAB COc1ccc(NC(=O)[C@@H](C)OC(=O)CSC(=S)N2CCCC2)c([N+](=O)[O-])c1 15565590 QAOAAQUEURNEHZ-LLVKDONJSA-N 427.504 2.588 0 40 IFAB Cc1ccc(CSCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 17603548 HCHFFCKQEHBXKA-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB CCN1C[C@@H](C(=O)N2CCC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)CC1=O 19526907 GIGDGLBRDDPROW-HGTKMLMNSA-N 427.471 2.765 0 40 IFAB C[C@@H]1Cc2cc(CN3CCC(c4ccc(C(=O)N5CCOCC5)c(N)n4)CC3)ccc2O1 19765804 INZDFSGZSNKCCK-QGZVFWFLSA-N 436.556 2.839 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O 20610819 ZJURLIWOMLWONQ-NRFANRHFSA-N 432.480 2.573 0 40 IFAB biogenic C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@@H](C)O[C@H](C)C1 22228089 FMNMAOKCWHINLH-OAGGEKHMSA-N 443.997 2.951 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1OC 22328355 IRYVHPCBNCFSIJ-UHFFFAOYSA-N 434.558 2.836 0 40 IFAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Sc1ccccc1 22793846 XAWBQPPAHVUTEA-SFHVURJKSA-N 445.610 2.581 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 24663200 QWYFJYIGPLBGQS-ZDUSSCGKSA-N 435.406 2.601 0 40 IFAB COc1ccc(S(=O)(=O)NCCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 26191461 XHIWLSKURRDPTK-UHFFFAOYSA-N 428.510 2.567 0 40 IFAB CCCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 32235426 JDWHZVOIFZXKTP-UHFFFAOYSA-N 448.365 2.513 0 40 IFAB COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1S(=O)(=O)NC1CC1 32913552 DEKFGPZVESKHCN-UHFFFAOYSA-N 449.554 3.000 0 40 IFAB CC(C)COc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 35594976 BZPBUKIRNHJESD-NRFANRHFSA-N 432.542 2.600 0 40 IFAB COc1cc(C(=O)Nc2nc(S(=O)(=O)Cc3ccccc3)ns2)cc(OC)c1OC 36626369 FIDKIEWQZKESQC-UHFFFAOYSA-N 449.510 2.790 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)cc1 40389045 NANBQBIUWYNYBP-BBRMVZONSA-N 425.489 2.612 0 40 IFAB CCc1nn2c(nnc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccc(F)cc1 40391811 YUIXUNGMRCDRHA-UHFFFAOYSA-N 429.415 2.587 0 40 IFAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2cnc(C)cn2)nc1C 72345394 UWHTWMLTEGHAFP-FQEVSTJZSA-N 446.511 2.799 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372937 GVGVSAUWMXJGLV-HXUWFJFHSA-N 425.508 2.677 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccccn1 72405777 CNHAWJIGXYZUKA-AWEZNQCLSA-N 436.343 2.925 0 40 IFAB O=S(=O)(NCC1(c2cccs2)CC1)c1ccc(N2CCCCS2(=O)=O)cc1 77200797 MCZHPIXZWRBMCJ-UHFFFAOYSA-N 426.585 2.688 0 40 IFAB O=S(=O)(Nc1nnc(C(F)F)s1)c1cc2c(cc1Br)OCCO2 84338834 RVGIEQDHWBLLIP-UHFFFAOYSA-N 428.236 2.810 0 40 IFAB C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@](C)=O)cc1 89904874 JISNVGFEPRTYPA-QIVNZJGZSA-N 434.558 2.583 0 40 IFAB COc1cc2nc(C)n(CCNC(=O)c3ccc(Br)o3)c(=O)c2cc1OC 95479795 NJMKAGIEQJQRSQ-UHFFFAOYSA-N 436.262 2.508 0 40 IFAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc21 95977814 SABICGYQFAWVMR-UHFFFAOYSA-N 428.919 2.774 0 40 IFAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)N[C@H]5CCS(=O)(=O)C5)(C4)C2)C3)cc1 106899000 LLVPELUQPWSWSV-WBJPEYBSSA-N 445.581 2.680 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCCN1CCCc2ccccc21 219449474 IFHAXWIOPMHVHJ-UHFFFAOYSA-N 441.553 2.570 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCC1)c1ccc2c(c1)OCCO2 223303784 GKDJDHBTNQDBPZ-UHFFFAOYSA-N 442.603 2.796 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCOc1cc(C)ccc1C)S(C)(=O)=O 224034219 YNTXYFCCZFREGR-SFHVURJKSA-N 434.558 2.970 0 40 IFAB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(Br)cc1 224727234 DCCBIOJLTKZHMV-UHFFFAOYSA-N 442.287 2.604 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)C1 248322803 WZKRWHFOROLCRA-STDZQVJPSA-N 426.513 2.743 0 40 IFAB COc1cc([C@@H]2NCCC(=O)N2)cc(I)c1OCc1ccccc1 408738823 VYEZJAZOUKFYBE-GOSISDBHSA-N 438.265 2.987 0 40 IFAB Cc1cccn2cc(CC(=O)N3CCNC(=O)[C@H]3c3ccc(Br)cc3)nc12 527279543 UUVDBUUQBBUNJT-GOSISDBHSA-N 427.302 2.647 0 40 IFAB O=C(Cc1ccccc1Br)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 575617882 SJPAWMVZUUEKHE-UHFFFAOYSA-N 443.301 2.666 0 40 IFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618835 WNUXRWZXXFKGNG-QGZVFWFLSA-N 429.546 2.817 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccc3CN3CCCC3)CCN2C(C)=O)c1 1848352798 GVWDESUZQDHROA-DEOSSOPVSA-N 448.567 2.688 0 40 IFAB O=C(c1cc(-c2cccnc2)on1)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888897970 ODNIRSULAIZCMZ-KBPBESRZSA-N 430.390 2.754 0 40 IFAB Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c(=O)oc2c1 2114556 ARJHYIXJSHLFBK-SFHVURJKSA-N 434.448 2.951 0 40 IFAB biogenic CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2N)c1 2193601 AXLCCRGMDHLUGU-UHFFFAOYSA-N 426.502 2.747 0 40 IFAB O=c1nc2s/c(=C\c3ccccc3Br)c(=O)n2nc1Cc1ccc(F)cc1 2373591 DHVRWMISSUPMTQ-YBEGLDIGSA-N 444.285 2.551 0 40 IFAB C[C@H]1CCC[C@H](C)N1C(=O)CSCc1cccc(S(=O)(=O)N2CCOCC2)c1 7813545 RYMYTVITZIESEU-IRXDYDNUSA-N 426.604 2.730 0 40 IFAB Cc1cc(C)cc(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 9199848 BLTSKJROQJFQCX-UHFFFAOYSA-N 427.530 2.867 0 40 IFAB NC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 9373136 UGXDVYWHZWBCLV-KGASDJBWSA-N 446.931 2.643 0 40 IFAB Cc1sc2ncn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c2c1-c1ccccc1 9446693 RLRABBDEKLJHFR-UHFFFAOYSA-N 446.536 2.572 0 40 IFAB O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 9661005 HPOZVUDVFOQUFB-UHFFFAOYSA-N 439.415 2.787 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9669766 YGRJEDRAFANYNR-UHFFFAOYSA-N 436.537 2.508 0 40 IFAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(OC)c3)nc1=O)CCC2 9745442 ZVDAACPTXUCUDY-UHFFFAOYSA-N 430.574 2.813 0 40 IFAB COc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(c4ncccn4)CC3)nc2C1 10157314 DZDACDZYELSXJG-QGZVFWFLSA-N 430.512 2.823 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCNC(=O)[C@@H]2c2c(C)nn(-c3ccccc3)c2C)c1 12817169 MVVVMCPMWIGKEQ-QFIPXVFZSA-N 438.553 2.968 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 12860645 OCYOANJQAUQUSY-OFNKIYASSA-N 439.531 2.931 0 40 IFAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cccc(I)c1 12925953 BHGWUPLCVWYORQ-UHFFFAOYSA-N 426.254 2.939 0 40 IFAB O=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)NCc1ccc(F)cc1 12992915 CIUUBGALTXGRNM-UHFFFAOYSA-N 436.890 2.762 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NCc1ccc(C)cc1)n2CC(C)C 13041598 SCIGDQMGIZYJGV-UHFFFAOYSA-N 439.560 2.900 0 40 IFAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc(F)cc1 13571858 ZTYHGZRFOGSEPX-CYYCYGDNSA-N 441.528 2.995 0 40 IFAB Cc1ccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 13645945 JLVPCHUMLFFSIU-UHFFFAOYSA-N 433.549 2.932 0 40 IFAB O=C1C[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(F)cc2N1 14524880 CWZNJDGQERWRED-IBGZPJMESA-N 445.516 2.743 0 40 IFAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1=O 15842782 ASIZMWBUGBZPAJ-OAHLLOKOSA-N 447.944 2.615 0 40 IFAB CN1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)C(C)(C)N)CC1 19080881 IWRBDSYVHNRBMV-MAUKXSAKSA-N 440.510 2.940 0 40 IFAB COc1ccc2c(c1)C[C@H](C(=O)N[C@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)CO2 19445555 GMNVDWBKDLUPLK-AOMKIAJQSA-N 434.496 2.905 0 40 IFAB Cc1n[nH]c(C)c1CC(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 19578778 FWZVBMYUZVIGAH-OAQYLSRUSA-N 428.496 2.815 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncccc3C(=O)N3CCOCC3)C2)cc1C 19709303 IQPTYIQXXJAWIW-LJQANCHMSA-N 443.569 2.739 0 40 IFAB CN(Cc1ccc2ncccc2c1)C(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2)c1 19750970 MFODJBVGKNSNEP-UHFFFAOYSA-N 440.503 2.985 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)ccc1F 22461985 IOEVPANYTMVXGS-UHFFFAOYSA-N 433.505 2.677 0 40 IFAB O=C(CN1CCN(CC(=O)Nc2ccccc2N2CCCC2)CC1)Nc1cccc(F)c1 22808965 IYFPIULUFSBCIT-UHFFFAOYSA-N 439.535 2.621 0 40 IFAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 23012741 BWZBKWUWDRCDEE-UHFFFAOYSA-N 426.473 2.778 0 40 IFAB C[C@@H]1CN(c2ccc(C(=O)NCCCc3cc(N)n(-c4ccccc4)n3)cn2)C[C@@H](C)O1 24795968 OCEIAMUOURVKSG-QZTJIDSGSA-N 434.544 2.826 0 40 IFAB CCOC(=O)c1c(C)oc2ncn(CC(=O)NCCCSc3ccccc3)c(=O)c12 27991100 IFJRASANOWCQMB-UHFFFAOYSA-N 429.498 2.773 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(O)n2)c1 32836324 YUOODFJVKZQWEB-UHFFFAOYSA-N 426.454 2.755 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)nc1 32869554 GHVJHZUZCVWPLD-UHFFFAOYSA-N 438.981 2.623 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1 33658602 KCFDDYOQGIYOIQ-UHFFFAOYSA-N 426.498 2.593 0 40 IFAB CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 35380006 ZCMDEGPNAZFRRA-FQEVSTJZSA-N 448.523 2.880 0 40 IFAB CCOCCCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 35683019 RBPYPXKHTRJZGI-OAHLLOKOSA-N 446.529 2.516 0 40 IFAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 36393790 USEFMJOSVYTHEC-UHFFFAOYSA-N 445.523 2.625 0 40 IFAB CC1=NN(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)s4)CC3)cc2)CC1 48264030 FUZSKLMAFXATRX-UHFFFAOYSA-N 432.571 2.789 0 40 IFAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCCN1CCCC1=O)CO3 57129169 NNEJUMDGVWHPLW-UHFFFAOYSA-N 448.903 2.635 0 40 IFAB COc1ccc(CCNc2ncc3c(=O)n(-c4ccccc4OC)c(O)nc3n2)cc1OC 67263831 LHYRAABKKQZYHI-UHFFFAOYSA-N 449.467 2.562 0 40 IFAB CCCCNC(=O)Cn1nc2c3cc(-c4ccc(OCCCC)cc4)nn3ccn2c1=O 67290614 VLZITEGAVRNJDJ-UHFFFAOYSA-N 436.516 2.906 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1 72271766 FKSZZOMQITYBFQ-MRXNPFEDSA-N 438.958 2.977 0 40 IFAB COc1cc(OC)c(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1Cl 72313409 XLYBBRYQPWPASP-UHFFFAOYSA-N 446.934 2.698 0 40 IFAB Cc1cc2ncn(C[C@H](O)CNCc3c[nH]nc3-c3ccc4c(c3)OCCO4)c2cc1C 78823041 WMRKITDPKYBVPR-LJQANCHMSA-N 433.512 2.965 0 40 IFAB CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 89274541 CJIADYUJCVHNDO-CQSZACIVSA-N 426.539 2.921 0 40 IFAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cn(C)n(-c5ccccc5)c4=O)sc3nc12 96347321 LFNRTNCHRHFPBW-UHFFFAOYSA-N 431.477 2.959 0 40 IFAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 101444563 XVFQESNBXYQSTJ-UTCUMILBSA-N 428.488 2.934 0 40 IFAB COC(=O)[C@@H]1[C@H](C(=O)OC)Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 102112650 AXLVOYPILFLVGR-UXHICEINSA-N 448.479 2.777 0 40 IFAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220240312 GSFUGVNYKGFOJG-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c(OC)c1 222760266 LTHZBIJRQFJSNO-UHFFFAOYSA-N 428.510 2.939 0 40 IFAB C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 223868174 FQVPOLYTHYPQFX-NSHDSACASA-N 430.935 2.606 0 40 IFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)s1 224401942 HGSLPMAMQCVMKL-UHFFFAOYSA-N 437.547 2.560 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCOc1ccccc1C)=C2C 224580505 SEVBWEDYASXSBA-UHFFFAOYSA-N 446.525 2.718 0 40 IFAB Cc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 226001794 KOGFYDOQTWXRIQ-UHFFFAOYSA-N 445.564 2.796 0 40 IFAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c3ccccn23)C1 306136871 QFIRXQSPRCZUEZ-MRXNPFEDSA-N 430.505 2.542 0 40 IFAB O=C(NCCCn1ccnc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 408591123 IWQFDQNEAMTMSQ-HXUWFJFHSA-N 446.960 2.633 0 40 IFAB CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1 408614551 DPDLAJBZTLGAEY-ZDUSSCGKSA-N 446.301 2.566 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 556722532 CETZHSJSNVNYRH-CYBMUJFWSA-N 431.539 2.997 0 40 IFAB COCCOc1cc(CN2CC[C@](O)(CN(C)Cc3ccc(OC)cc3)C2)ccc1OC 585269611 BIUOCRXSBPGZPW-VWLOTQADSA-N 444.572 2.798 0 40 IFAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCc1nc(-c2ccccc2)no1 1548349066 XYSQPJPCTCEWNN-UHFFFAOYSA-N 446.507 2.991 0 40 IFAB CCc1nnc(-c2cccc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)c2)o1 1634522994 OUZUVICXNZIKCE-HKUYNNGSSA-N 438.459 2.581 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCC2(CC1)OCCO2 2215988 NJQSBEZOWSMZHZ-UHFFFAOYSA-N 431.489 2.521 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2sc3c(c2c1=O)CCCC3 2409331 JNIVUAWSDACSST-UHFFFAOYSA-N 428.539 2.704 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 2630778 XZIKMSNBVYTEOW-UHFFFAOYSA-N 447.532 2.702 0 40 IFAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 3474742 HYDUFWMLOKDPBI-UHFFFAOYSA-N 435.480 2.840 0 40 IFAB COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 3848816 LPWCGQSHIPNJPH-WMLDXEAASA-N 429.226 2.585 0 40 IFAB biogenic CCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1OCC 4469455 DXBYMNSJVNOWIM-UHFFFAOYSA-N 431.533 2.788 0 40 IFAB CC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F 6631845 AYZARKPTKVNCBT-ZDUSSCGKSA-N 435.525 2.551 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1N1CCCC1 9222738 NURWQGOILIKZPY-UHFFFAOYSA-N 435.571 2.550 0 40 IFAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)cc1O)OCC3(C)C 9252834 MCJYJLSMSKFPIM-QFIPXVFZSA-N 447.491 2.972 0 40 IFAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)c(C)n23)n(C)c1=O 9297079 LERANYQMYULWGF-ZDUSSCGKSA-N 427.892 2.867 0 40 IFAB CCCCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@]12C(=O)Nc1ccc(Br)cc12 9350084 CNPWAMBIXOKEKW-IBGZPJMESA-N 447.289 2.625 0 40 IFAB O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1ccc(C(F)(F)F)cc1 9412764 JGKQLAPNKZTDRY-UHFFFAOYSA-N 432.337 2.774 0 40 IFAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCc2cccnc2)cn3C2CC2)CC1 9423679 QWSRAQBYPHSTJL-UHFFFAOYSA-N 449.530 2.942 0 40 IFAB C[C@@]1(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)CCS(=O)(=O)C1 9575872 HRNYPOTZKHPHSC-HXUWFJFHSA-N 436.530 2.864 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccccc1 9597085 QGWJTTBCAIWSPA-UHFFFAOYSA-N 430.526 2.725 0 40 IFAB CCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 9613979 OVTOOPWAKRWZOG-AEFFLSMTSA-N 426.966 2.618 0 40 IFAB CCOC(=O)c1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1 9829517 RIMVBRNKILLPLF-UHFFFAOYSA-N 437.500 2.588 0 40 IFAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)NC2CCCCC2)n1-c1ccccc1 9878485 WDMABVPMGOWIRB-UHFFFAOYSA-N 441.517 2.817 0 40 IFAB C[C@@H](NC(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1cc2ccccc2o1 9951832 CQGFNRHQUNATHP-CHWSQXEVSA-N 435.527 2.763 0 40 IFAB CCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1N1CCOCC1 9971036 JORHQGHJCSUSOX-UHFFFAOYSA-N 448.545 2.864 0 40 IFAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 10143611 BPUNQWNWMGWGAC-GFCCVEGCSA-N 425.532 2.631 0 40 IFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccccc1OC(F)(F)F 10206533 RHOJTIHUMXTHRS-UHFFFAOYSA-N 431.436 2.835 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F 11068534 LCKUFXJVNHQJMO-LBPRGKRZSA-N 434.418 2.738 0 40 IFAB COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)S[C@H](C)C3)cc1 11726681 YPAKBYBSPKASDV-CZUORRHYSA-N 447.582 2.665 0 40 IFAB Cn1nnnc1-c1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 12651247 JLXJGQDUGYDXRJ-UHFFFAOYSA-N 430.234 2.719 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 12789775 UCHAAJKSOJEUKU-HIFRSBDPSA-N 438.933 2.843 0 40 IFAB CCOc1ccc(CCNC(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1OCC 12947337 JJDPIBGAHALVPI-UHFFFAOYSA-N 425.489 2.505 0 40 IFAB O=C(CSc1nnnn1C1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 13112645 LFSKSJJBQRIBJU-UHFFFAOYSA-N 435.575 2.938 0 40 IFAB COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(CCC(=O)O)cc3)CC2)cc1 13252749 INOFBAUVXDTXPP-UHFFFAOYSA-N 431.510 2.996 0 40 IFAB COc1cccc(Cc2cnc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)s2)c1 14242046 BXSHRCFLJDHONC-UHFFFAOYSA-N 428.514 2.936 0 40 IFAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 15547554 ZEVQDGHJWHOXRX-INIZCTEOSA-N 437.587 2.955 0 40 IFAB COc1cc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 15952100 SMDPEVDRZSSLLG-UHFFFAOYSA-N 435.571 2.716 0 40 IFAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 15958531 RRORDPXZKYSTKN-GIRPNKPCSA-N 437.499 2.850 0 40 IFAB biogenic Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 16205273 GDIWWTWWQCNCFT-UHFFFAOYSA-N 437.521 2.870 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2Cl)NC(=O)N[C@@H]1c1ccco1 18219566 DDLRLTAVVNLCSS-MRXNPFEDSA-N 449.803 2.869 0 40 IFAB NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)CCC4CCCC4)CC3)no2)C1 19292179 RDIHOLFVYDVGNL-GOSISDBHSA-N 430.549 2.689 0 40 IFAB CC(C)N1CCc2c(O)nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 19448419 XMHAIBGUFZOSGF-GOSISDBHSA-N 438.500 2.753 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)C2(c3ccc(Cl)cc3)CCOCC2)ncc1C(N)=O 19755191 JYUNHXGSXNNVDC-GOSISDBHSA-N 428.920 2.949 0 40 IFAB COc1ccccc1NC(=O)CCN1CCN(CCC(=O)Nc2ccccc2OC)CC1 20266101 KGPRHCPCQWQEFW-UHFFFAOYSA-N 440.544 2.679 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 22229538 SLOQTDYKFMKXRG-UHFFFAOYSA-N 443.569 2.903 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)nn1-c1ccccc1 22302934 TZOGYXYGNDGCCW-HZPDHXFCSA-N 439.541 2.859 0 40 IFAB COc1ccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22332521 HUEWOWQSXKBPOD-UHFFFAOYSA-N 434.558 2.997 0 40 IFAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 23817176 YSDKUDLSFYIRNI-DNBYOKIBSA-N 449.592 2.606 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 24606946 QOKAKKJAXOERSL-QGZVFWFLSA-N 449.598 2.506 0 40 IFAB CC1CCN(Cc2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)n2)CC1 25011602 YKOFJPBLNPDMTN-UHFFFAOYSA-N 442.632 2.781 0 40 IFAB CCOc1ccc([C@@H](CNC(=O)NCc2ccc(OC)cc2)N2CCOCC2)cc1OC 25062916 NFXVGPDTFBTUBN-OAQYLSRUSA-N 443.544 2.975 0 40 IFAB COc1ccc(C(=O)N2CCN(CCC(=O)NCc3ccccc3Cl)CC2)cc1OC 25338663 NZKRFOCDTOEXJO-UHFFFAOYSA-N 445.947 2.822 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2=O)cc1 28719499 IUWCGMQBJBCPJK-AWEZNQCLSA-N 431.418 2.980 0 40 IFAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1sccc1S(=O)(=O)NC1CC1 28975641 IQZDLWVQPFXSNJ-UHFFFAOYSA-N 447.582 2.745 0 40 IFAB O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 29899766 PFYKZDYVEXTBNT-CYBMUJFWSA-N 444.376 2.623 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[C@]1(C)NC(=O)NC1=O 32926326 ZEMODIGXISNAFV-KRWDZBQOSA-N 443.403 2.569 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1=O 32988752 SCCMXFUBFZCMEC-IBGZPJMESA-N 443.997 2.552 0 40 IFAB COC(=O)C1CCN(C(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)CC1 36705187 HUMGOGOHKUSQIH-HNNXBMFYSA-N 429.542 2.886 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5Cl)no4)[C@H]3C2=O)cc1 38655191 NZWAOJFJYZVOCL-IAGOWNOFSA-N 438.831 2.892 0 40 IFAB COc1nn(C)cc1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 38693441 JIHOBDXLMMKRQR-UHFFFAOYSA-N 444.488 2.962 0 40 IFAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(-c4ccccc4)cc3)c2)CCN1 48262349 GCRHJXVBPGBRRX-UHFFFAOYSA-N 436.489 2.693 0 40 IFAB Cc1ccc2c(c1)N(C(=O)CSc1nc3[nH]ncc3c(=O)n1-c1ccccc1)CCO2 51316693 VSBIPESZGCUVGH-UHFFFAOYSA-N 433.493 2.935 0 40 IFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1=O 57427341 YRWDLXDWDHTXBJ-UHFFFAOYSA-N 443.481 2.595 0 40 IFAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 72308608 IWPATACMEMXVCF-LJQANCHMSA-N 447.583 2.944 0 40 IFAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 72337216 GTVAFUPMPGFIFI-UHFFFAOYSA-N 438.528 2.667 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN[C@](C)(CNC(=O)OC(C)(C)C)C3CC3)CC2)c1 79105462 RZOIODVDWLAVRS-XMMPIXPASA-N 430.593 2.927 0 40 IFAB COc1cccc(-c2cc(C(=O)N[C@@H]3CCN(c4ccc(-c5nc(C)no5)cn4)C3)[nH]n2)c1 90592190 DCXWDZNTAVVTNH-QGZVFWFLSA-N 445.483 2.847 0 40 IFAB COc1ccccc1N1CCN(C(=O)C[C@@H](Cn2cnnn2)c2ccc(Cl)cc2)CC1 95472662 AGMKLYRRJNDBNH-SFHVURJKSA-N 440.935 2.858 0 40 IFAB CC(C)C(=O)N1CCc2nc3cc(C4CCN(Cc5cccnc5)CC4)nn3c(O)c2C1 100232620 NCGHIOKMWIUMHA-UHFFFAOYSA-N 434.544 2.750 0 40 IFAB COc1cccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)c1 101415361 MNUZQXZGLGFDJP-FCBCXNLDSA-N 443.503 2.822 0 40 IFAB CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)N1C(=O)c2ccccc2C1=O 104674148 HPTBZTZXWZMVHL-XGHQBKJUSA-N 433.508 2.505 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)C2)s1 105667670 XDVVXMGOSHQEGQ-UXHICEINSA-N 447.626 2.973 0 40 IFAB O=C(NCCCN1CCOCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 216237570 QZDLWSVGSIFHHE-UHFFFAOYSA-N 437.949 2.593 0 40 IFAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1cccc(OC)c1)S(C)(=O)=O 220618568 OYRMSIPRNQYOFP-GOSISDBHSA-N 426.560 2.882 0 40 IFAB CN(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 223594522 NFUMHDVTIPHVGA-UHFFFAOYSA-N 429.542 2.962 0 40 IFAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccco2)s1 223802550 GUTABDGMUQVILZ-UHFFFAOYSA-N 438.556 2.904 0 40 IFAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CCc1ccc(S(C)(=O)=O)cc1 225614936 UHVNXZGGEVUVIT-UHFFFAOYSA-N 436.555 2.510 0 40 IFAB COc1cccc(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)ncn4)CC3)n(C)n2)c1 225728957 OPXFNRUFTIJJDJ-UHFFFAOYSA-N 446.433 2.867 0 40 IFAB CC(=O)N1CCCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2CC(=O)Nc1nc(C)cc(O)n1 257252712 JVVKUMAVMLXRGH-JTAQYXEDSA-N 437.544 2.688 0 40 IFAB COc1cccc(CN(C)CC(=O)N2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1 257260604 LDNOHDVHHORLTC-QFIPXVFZSA-N 448.527 2.656 0 40 IFAB Cc1cc(Nc2cc(C[C@@H]3CCCN(S(=O)(=O)N4CCCCC4)C3)nc(C)n2)[nH]n1 257292173 QKHRBXYJHDVTNZ-KRWDZBQOSA-N 433.582 2.545 0 40 IFAB CCN1CCN(C(=O)CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257314787 UYLHEUFVYZEGCK-IBGZPJMESA-N 425.504 2.608 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)Cc1nnc(C(=O)NCc3ccco3)n1-c1ccccc1O2 306141222 VOPSBVUFEFKSOF-UHFFFAOYSA-N 449.511 2.742 0 40 IFAB Cc1csc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)n1 409346857 OKSPQPUDXCLGFV-UHFFFAOYSA-N 436.950 2.894 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575611949 HDFOJOGOGNEAQK-OAHLLOKOSA-N 430.299 2.751 0 40 IFAB COc1cccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)c1 585107166 QIXZJTUXRDSTOM-RUZDIDTESA-N 445.523 2.531 0 40 IFAB Cc1cc(C(=O)NC2CCN(CC(=O)N[C@H](c3ccccc3)c3nccs3)CC2)no1 1116340431 RIHLELGKAGVMID-HXUWFJFHSA-N 439.541 2.540 0 40 IFAB O=C(COC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(Cl)cn1 3418137 HYNVVJIGQSVQHW-UHFFFAOYSA-N 428.828 2.891 0 40 IFAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 8590942 FHKARVRHSKYMOF-INIZCTEOSA-N 440.500 2.685 0 40 IFAB Cn1c(=O)c2c(SCCN3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O 8899277 GKDVZWPALMHMSW-UHFFFAOYSA-N 431.949 2.536 0 40 IFAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 8984523 RJVRTULHNQDNRG-UHFFFAOYSA-N 446.525 2.814 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 9192608 DDWXBHDLHMLEGR-UHFFFAOYSA-N 449.548 2.550 0 40 IFAB CCOC(=O)N1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C(=O)OC)C1 9347570 YVGUYLLMDVNOTP-OAHLLOKOSA-N 446.481 2.828 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9509501 TXVAOAYRVPZBLL-QFBILLFUSA-N 436.574 2.944 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(F)c(Cl)c3)n2)cc1 9661032 XGQYCVDOMVINMQ-UHFFFAOYSA-N 437.880 2.690 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 9712955 MMVVTRMYWUPHCQ-UHFFFAOYSA-N 434.481 2.740 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1 9746580 VHUZOTKIHRDFEL-KRWDZBQOSA-N 435.571 2.745 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(c3cnccn3)CC2)CC1 11545429 BOSDRIQSSQNNNY-UHFFFAOYSA-N 429.524 2.831 0 40 IFAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCN3CCOCC3)o2)cc1 12419760 KCTHLHRHKDFPPT-UHFFFAOYSA-N 443.525 2.927 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)CN1CCN(c2ccccc2)CC1 12517404 BTTFREZRWCVDOM-UHFFFAOYSA-N 445.361 2.668 0 40 IFAB CCCc1cc(=O)[nH]c(SCC2=C(C(=O)OCC)[C@H](c3cccs3)NC(=O)N2)n1 12776056 MAXMXXBAIVPNMP-INIZCTEOSA-N 434.543 2.747 0 40 IFAB Cc1ccc(C(=O)CCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)s1 12787918 CETJPTDCWUEYCS-IBGZPJMESA-N 428.510 2.530 0 40 IFAB O=C(OCC(=O)N1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13039057 GSZWBTABZCLXNU-UHFFFAOYSA-N 442.965 2.687 0 40 IFAB O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 13149396 UCWAFPKSDIPGHA-OYRHEFFESA-N 433.476 2.969 0 40 IFAB COc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 13494973 HMNALRTVMDKFIV-UHFFFAOYSA-N 429.429 2.710 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1 13585096 CIMYFFMUYOXEFA-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCCC2)c2ccccc2)cc1 13612351 YISUJKHZWLJFGB-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB CCC(CC)c1nnc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)s1 15981700 PZDSOEBOZCJFGG-UHFFFAOYSA-N 448.545 2.940 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)Cn1nc2n(Cc3ccccc3F)c3ccccc3n2c1=O 19577830 SKOUTISIHAEYCH-UHFFFAOYSA-N 447.474 2.627 0 40 IFAB COc1ccccc1OCC(=O)N1CCO[C@@H](c2c(C(N)=O)sc3ccccc23)C1 19696767 FDGGAZCXRJZCDA-QGZVFWFLSA-N 426.494 2.988 0 40 IFAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)nc2c1CCC(=O)N2C 19739467 KCCVYOIYGMCRTQ-AWEZNQCLSA-N 434.949 2.916 0 40 IFAB COCc1c(C(=O)N2CCC[C@@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C2)noc1C 19763201 CASNTQAVZVSULE-QGZVFWFLSA-N 441.532 2.874 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 20452793 VLMHTIZMNQWOOS-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccccc1S(C)(=O)=O 22564129 PWALNZLYERYACW-UHFFFAOYSA-N 427.482 2.688 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559519 PEABIENUDDRDDV-AWEZNQCLSA-N 436.409 2.941 0 40 IFAB O=C(CSc1nnnn1Cc1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 23873286 SHWZUUXBFKAHFF-XBXARRHUSA-N 440.598 2.733 0 40 IFAB COc1cccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3ccccc3n2)c1 32096451 DHWCKOLTVZBIBK-UHFFFAOYSA-N 425.510 2.628 0 40 IFAB O=C([C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1)N1CCOCC1 32741725 UXXMBZLZJQNYRE-NZQKXSOJSA-N 438.505 2.759 0 40 IFAB O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2cccn2)nc1 32754773 ZVWZEPYRODBXQO-UHFFFAOYSA-N 439.273 2.769 0 40 IFAB Cc1cccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 32958280 ZUPUOBWSICFTLD-VFNWGFHPSA-N 438.480 2.895 0 40 IFAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)/N=c1/[nH]nc(-c2ccccn2)[nH]1 58054887 OLVZNJZXTVTYBV-ZDUSSCGKSA-N 434.403 2.749 0 40 IFAB CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(C(=O)Cc3ccccc3)CC2)o1 72344909 WIRQEHOQLOGWKM-LJQANCHMSA-N 446.573 2.895 0 40 IFAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(Cc1cc(COC)ccc1OC)CC2 72372379 GVMIJVOEOHNNLB-NRFANRHFSA-N 439.560 2.915 0 40 IFAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 78664212 HUURAYOCQSLEQO-LSDHHAIUSA-N 448.488 2.770 0 40 IFAB O=C(NCCn1ccc2ccc(Br)cc21)c1cc(F)ccc1-n1cnnn1 79495650 IGYVIYKVMCIDEJ-UHFFFAOYSA-N 429.253 2.949 0 40 IFAB CC(C)(CNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)NS(C)(=O)=O 95993642 CAWOMKDUNDXIEY-UONOGXRCSA-N 426.970 2.934 0 40 IFAB COc1cccc(NC(=O)N2CC[C@@]3(C2)CN(c2ccsc2)C(=O)CN3C(C)=O)c1 96050488 XQMLQLGNLILXEC-OAQYLSRUSA-N 428.514 2.628 0 40 IFAB CSCC[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nnc2ccccn12 96116665 CBDRAMUUKFKLTG-SFHVURJKSA-N 434.525 2.564 0 40 IFAB O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96123995 KEOQVTHHXXFBLV-KRWDZBQOSA-N 446.540 2.714 0 40 IFAB C[C@H](CNC(=O)C1=NO[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1)c1ccccc1 96225757 IILNLLYSRZPFQV-ZHRRBRCNSA-N 445.516 2.655 0 40 IFAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 96875451 NAQBZKRVXKSBAR-UHFFFAOYSA-N 439.604 2.549 0 40 IFAB O=C(C1[C@H]2CCCC[C@H]12)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2cccnc2)CC3)C1 100239296 CZRQCSFQSMBRPC-FHWLQOOXSA-N 433.556 2.888 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 104673147 QGBBBPRGXZCWRC-OSFYFWSMSA-N 433.892 2.903 0 40 IFAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218094085 AYXRSYVHBPGNIT-MOPGFXCFSA-N 432.494 2.748 0 40 IFAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 218094161 AYXRSYVHBPGNIT-OALUTQOASA-N 432.494 2.748 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 222879724 GWWVGMVTRAVERB-UHFFFAOYSA-N 446.960 2.957 0 40 IFAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222922727 OZESBRFMNDAHHB-FQEVSTJZSA-N 441.547 2.624 0 40 IFAB COc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 223684901 PZTPDJFLBPKILB-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB O=C(NCCOc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994365 YRQMPQLWRUPQEY-JOCHJYFZSA-N 438.505 2.838 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 225011267 OGYHJLBZJHQMMF-NRFANRHFSA-N 447.557 2.715 0 40 IFAB CC(C)CN1C(=O)CO[C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]21 257248124 JCFGMSOEUVSJNN-UNMCSNQZSA-N 445.604 2.696 0 40 IFAB Cc1cccc(CN2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)c1 306143250 XXCLNCGGWFMQGK-NHCUHLMSSA-N 436.537 2.621 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1ccnc1)C1CCCCC1 408635722 HTQCDMSOOPCCCN-UHFFFAOYSA-N 448.589 2.730 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)cc1C 1565523676 UGYANLGQGUBGER-UHFFFAOYSA-N 428.562 2.548 0 40 IFAB COc1cccc(NC(=O)N(C)C2CN(c3ccc4nnc(-c5cccnc5)n4n3)C2)c1 1775971887 WQYRINKNPOPRBY-UHFFFAOYSA-N 430.472 2.547 0 40 IFAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CCC(C(N)=O)CC4)ccc23)cc1 2124666 LVGHNELIBYKSRW-UHFFFAOYSA-N 436.464 2.571 0 40 IFAB biogenic COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc(OC)c1OC 3322169 YZUROXSTIDNWRZ-ZDUSSCGKSA-N 430.457 2.784 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccccc1 3430572 YMJPVJDQFNRTBY-OAHLLOKOSA-N 428.466 2.942 0 40 IFAB CCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 6149776 YCBSVSJLXHQVDV-KRWDZBQOSA-N 431.558 2.955 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncn1-c1ccccc1C 8824721 FTPRDSOMWIAHEP-UHFFFAOYSA-N 445.570 2.865 0 40 IFAB O=C(CSc1ncn[nH]1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 9056370 UCPMJYRCIDMDLU-UHFFFAOYSA-N 429.955 2.754 0 40 IFAB CC(=O)N1CCN(c2ccc(NC(=O)CSc3nnc(-c4ccccc4)[nH]3)cc2)CC1 9096083 OXWUIRJHMMJPGB-UHFFFAOYSA-N 436.541 2.871 0 40 IFAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 9243076 GGQKKIINWSWFBC-NRFANRHFSA-N 439.468 3.000 0 40 IFAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9487396 UHZKSXBYKXPSPO-QGZVFWFLSA-N 432.498 2.951 0 40 IFAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccccc1 9519615 KPQRKQVOSMCSQC-UHFFFAOYSA-N 425.510 2.676 0 40 IFAB COc1ccc(NC(=O)c2nnn(Cc3ccc(Br)cc3)c2N)c(OC)c1 9748889 NTYXYAGBXRWJDQ-UHFFFAOYSA-N 432.278 2.941 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COCc2nc3ccccc3s2)C1=O 9870193 LFNKVWJJZZIJET-QFIPXVFZSA-N 438.509 2.787 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9952867 SDNVAWXYXWMJBA-ZDUSSCGKSA-N 426.589 2.584 0 40 IFAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 10806170 BGAXNFPDKUPCFQ-CYBMUJFWSA-N 437.905 2.704 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 12228278 VJQRTOPTCVHCPM-UHFFFAOYSA-N 437.431 2.686 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 12599139 LGIBRBFWJYZQRQ-DOTOQJQBSA-N 445.570 2.607 0 40 IFAB COC(=O)Cc1c(C(=O)OC)sc2nc(CSc3nc4ccccc4[nH]3)[nH]c(=O)c12 12749444 BIOGGOLEADYOHG-UHFFFAOYSA-N 444.494 2.655 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2nc(-c3ccccc3C)no2)cc1 12879420 OPZFKVJHIJVTOM-CQSZACIVSA-N 443.481 2.658 0 40 IFAB COc1ccc(CCn2ccc3c(cnc4nc(-c5cccnc5)nn43)c2=O)cc1OC 13686202 ZUVVQVPPJCJFPT-UHFFFAOYSA-N 428.452 2.761 0 40 IFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 13894537 CRPJUIZGEAELOY-XSHGTHSTSA-N 443.861 2.800 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 14095892 IGNXETBTWOBDAJ-IZHWHUGBSA-N 435.480 2.766 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1C 14164868 LPHQPIDJYDYAPC-UHFFFAOYSA-N 449.555 2.993 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 16105703 SEHIVZYFNAMKHF-UHFFFAOYSA-N 427.526 2.853 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 16837662 QLMFAPBZXAZCBG-CQSZACIVSA-N 434.587 2.946 0 40 IFAB COc1cc(CCC(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)on1 19550416 AECPHMYEWLSGHX-CQSZACIVSA-N 441.463 2.644 0 40 IFAB Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1 19822641 YDRQTIAYLGNBNW-UHFFFAOYSA-N 430.618 2.891 0 40 IFAB COc1ccc(CN(C(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C2CC2)cc1 23247714 FUBMAKRMJAEJOR-UHFFFAOYSA-N 435.568 2.939 0 40 IFAB CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc2)ccc1=O 23681260 UIHFWHVBJAGRCG-IYBDPMFKSA-N 432.546 2.857 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCC2)CC1)Nc1ccc(I)cc1 25061653 MKRNBHBOTBNMQB-UHFFFAOYSA-N 441.313 2.564 0 40 IFAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCC(=O)N1CCCC1 32721358 CRFABGANSYWRGD-UHFFFAOYSA-N 449.507 2.624 0 40 IFAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnsc2Cl)CC1 32759364 ALKGRNOJMZOIPW-UHFFFAOYSA-N 442.872 2.597 0 40 IFAB O=C(COC(=O)CCCN1C(=O)CCC1=O)NCCC(c1ccccc1)c1ccccc1 32929978 BNGODWRUELIEQE-UHFFFAOYSA-N 436.508 2.797 0 40 IFAB COc1cc(OC)c2cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)[nH]c2c1OC 40091015 JYWWPAILTJZGKF-QGZVFWFLSA-N 443.500 2.898 0 40 IFAB CN1C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C(=O)C12CCCCC2 40155980 SPPGGAOMSZYKEO-UHFFFAOYSA-N 426.517 2.848 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1Cl 44838964 WGFIGLRQYOKKRV-UHFFFAOYSA-N 448.950 2.845 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 64988608 YAYZSJLSRBMVKD-IBGZPJMESA-N 432.498 2.646 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(Cn2nnc(-c3ccc(Br)cc3)n2)n1 69345420 WPNHKQLWDNCIQY-UHFFFAOYSA-N 438.293 2.970 0 40 IFAB Cc1cc(C)n(-c2nc3c(N4CCN(S(C)(=O)=O)CC4)c(Cl)ccc3s2)n1 72230188 GSLMTXJIUQBXHZ-UHFFFAOYSA-N 425.967 2.834 0 40 IFAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cn(C)c5ccc(F)cc45)C[C@H]32)c(OC)n1 72392620 QYPSDOOEDAPTAO-LEDSTXDGSA-N 426.492 2.854 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(CC)CCC(=O)OC)c2)cc1 78698399 HXTVAORYYDWXPU-UHFFFAOYSA-N 434.514 2.911 0 40 IFAB O=C(NCc1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1)c1cccs1 89793934 JCCDEGGTNXWJNZ-UHFFFAOYSA-N 434.521 2.671 0 40 IFAB CC(=O)Nc1ccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117122 ILDMZMZRRGPXBL-OAQYLSRUSA-N 431.558 2.605 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O 96096623 JGOXEBMCWRONHN-UHFFFAOYSA-N 434.525 2.939 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)CC2)cc1 102342422 KVCADAZCZCTMCC-MMKMLUHNSA-N 446.569 2.556 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](c4ccccc4)C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102540560 DYBDTIJRCPYMPG-JVFOSQBJSA-N 435.451 2.976 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)NCc1ccccc1 111881360 GWLJVEFZIAWBIQ-HNNXBMFYSA-N 431.286 2.662 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1OC 220232574 CSHHJNRSHBDOCC-CQSZACIVSA-N 442.559 2.501 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1N1CCCC1=O 222704076 GPKZLRBWRQUCDW-CQSZACIVSA-N 432.498 2.633 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1CCCN1CCOCC1 223173100 XKPIDEDKUFHSEO-GOTSBHOMSA-N 448.596 2.962 0 40 IFAB Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225492135 QXKLXMLZZUZXBK-AWEZNQCLSA-N 432.527 2.845 0 40 IFAB Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1ccc(I)cc1 225877740 PVXRRYONJLCTSS-UHFFFAOYSA-N 437.284 2.680 0 40 IFAB CC1(C)CC2(CCN(CC(=O)Nc3ccccc3OC(F)F)CC2)CN1S(C)(=O)=O 257221516 DPJUGWXPDOOYCK-UHFFFAOYSA-N 445.532 2.753 0 40 IFAB CN1CCN(C(=O)COC[C@H]2CCCO2)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257290647 QDUJTRSYHIVWIV-UXHICEINSA-N 428.554 2.822 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831662 TYXVYQVPLPRVHC-MGPUTAFESA-N 448.491 2.706 0 40 IFAB Cc1ccc(C(=O)N2CCN3[C@@H](C2)CN(C(=O)c2ccc(Cl)cc2)C[C@@]3(C)CO)cc1 514290126 UAVHGEHOEIRLJZ-URXFXBBRSA-N 441.959 2.682 0 40 IFAB biogenic,in-vitro O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@H](Cc2cccc3[nH]ncc23)C1 585261888 KJHYFMCCZSTKLM-LJQANCHMSA-N 434.540 2.726 0 40 IFAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NCc4ccccc4Cl)[C@H]4CO[C@@H]3O4)c2cc1OC 1534639805 FXKNXKCHCNXUAQ-CSEOROSGSA-N 445.903 2.522 0 40 IFAB COc1ccc(CN2C(=O)CO[C@@H](C(=O)Nc3cc[nH]n3)[C@@H]2c2ccccc2)c(OC)c1 1565519404 OLUXFMXTUWBQJZ-FCHUYYIVSA-N 436.468 2.534 0 40 IFAB CC(=O)N(C[C@H](O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 1070442 SDVHDVJKYTZOBK-MSOLQXFVSA-N 431.286 2.663 0 40 IFAB CC(C)CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 3431531 WBNGLGGGGFVJLX-MRXNPFEDSA-N 430.526 2.756 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)ccc1Cl 3433443 UYWFYKLHLOELKD-KRWDZBQOSA-N 436.917 2.599 0 40 IFAB Cc1ccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCCCC1 3621960 RANFALVLDVGJJU-IRXDYDNUSA-N 436.574 2.831 0 40 IFAB COc1cc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)cc(OC)c1 4222809 OEHCUUXNODECBK-MTQWCTHYSA-N 443.456 2.609 0 40 IFAB biogenic,in-vitro CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CNCCCN1CCOCC1 6143177 APXUUQCRCDOSDQ-UHFFFAOYSA-N 431.558 2.842 0 40 IFAB Cc1sc2nc([C@@H](C)OC(=O)CCNS(=O)(=O)c3ccccc3)[nH]c(=O)c2c1C 8825330 NRTIHPLAZJHZPQ-GFCCVEGCSA-N 435.527 2.574 0 40 IFAB COC(=O)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1 8915371 WJJKXBNBEFDEDD-CLCXKQKWSA-N 440.349 2.716 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c1 9094910 WZSDBRVDUFODCZ-UHFFFAOYSA-N 426.542 2.902 0 40 IFAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc(Br)c2)CC1 9190259 IICKPVGKRDKPQA-UHFFFAOYSA-N 438.347 2.783 0 40 IFAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1cc(C(F)(F)F)ccc1=O 9441646 YUVHDPPZWYMDNW-CYBMUJFWSA-N 443.447 2.851 0 40 IFAB Cc1nc2ccc(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2s1 9447098 MYHFDUFNLUTCPF-UHFFFAOYSA-N 433.511 2.683 0 40 IFAB Cc1csc(-c2nonc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 9767886 VLZGYSYVRVQGJW-UHFFFAOYSA-N 433.515 2.928 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2Cl)c1 9807424 GLWYIZCMOTWYNV-MRXNPFEDSA-N 449.960 2.865 0 40 IFAB O=C(COC(=O)c1sccc1S(=O)(=O)NC1CC1)Nc1ccc(F)c(Cl)c1 10561474 VLNZGZOKEIUBPO-UHFFFAOYSA-N 432.882 2.777 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)Cc4cccc(C)c4)nn23)cc1OC 11693944 UDYXDTDXVJXQGW-UHFFFAOYSA-N 447.495 2.855 0 40 IFAB Cc1ccc(CN2C(=O)NC3(CCN(S(=O)(=O)c4cccc(C)c4)CC3)C2=O)cc1 11694159 NLFLVOYKVJRABY-UHFFFAOYSA-N 427.526 2.579 0 40 IFAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(CNC(N)=O)cc3)n2)cc1 12604907 BIBDMUIKPOBZAB-UHFFFAOYSA-N 445.526 2.602 0 40 IFAB Cc1c(NC(=O)[C@@H](C)Sc2nnnn2C2CCCC2)c(=O)n(-c2ccccc2)n1C 12677258 UIYMBKWWEJKQIX-CQSZACIVSA-N 427.534 2.705 0 40 IFAB O=C(c1cccnc1N1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12684077 NUPXWTGWPKUAAN-UHFFFAOYSA-N 440.978 2.543 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O 12750719 CDBRERGJBRMPDF-ZDUSSCGKSA-N 427.555 2.952 0 40 IFAB Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 12846157 HOIUGLJDNQRPGN-UHFFFAOYSA-N 425.601 2.694 0 40 IFAB Cc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 12998236 LBYGKZJIGPSAFI-UHFFFAOYSA-N 429.498 2.716 0 40 IFAB Cc1ccc(-n2nnnc2SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 13164134 YXVJAMYAQQPHOD-VMPITWQZSA-N 434.569 2.920 0 40 IFAB CCc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 13501945 OGAYRNVERZYCJP-QGZVFWFLSA-N 444.557 2.753 0 40 IFAB COc1ccccc1CNC(=O)CCc1nnc2c(=O)n(-c3cc(C)cc(C)c3)ccn12 15736346 NZQZRPPYVKJUBU-UHFFFAOYSA-N 431.496 2.755 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1OC 15780570 GKOQIQLLHTUFJV-UHFFFAOYSA-N 446.934 2.698 0 40 IFAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 20461173 OEAKFMDBENCEQV-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20566956 AQBCUPGBFSNXOC-YRKFHGTDSA-N 442.519 2.930 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1C 22247334 XMVXKTUZOACGIR-TZIWHRDSSA-N 446.569 2.579 0 40 IFAB NC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 22400531 OYVWZDOILGCTLA-UHFFFAOYSA-N 433.486 2.820 0 40 IFAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 24165316 NFWNTZRFLUOXMB-UHFFFAOYSA-N 446.433 2.752 0 40 IFAB COc1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1OCC(=O)N1CCOCC1 25607327 JFXSVBASBCMCKQ-GOSISDBHSA-N 442.537 2.900 0 40 IFAB CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc(Br)c1OCC 27563778 ZZXQOFCISAHRIP-AWEZNQCLSA-N 438.282 2.695 0 40 IFAB Cc1nc2c(cc1C(=O)N1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)c(C)nn2C 29776832 OQISHYAWCACQQV-UHFFFAOYSA-N 435.484 2.805 0 40 IFAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccccn3)c2)cc1 33028146 MONZECAAVXRDLS-UHFFFAOYSA-N 425.510 2.888 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)N[C@H](CO)Cc1ccccc1 33544486 TUAAXCZZILVONW-UZNZLNSGSA-N 428.485 2.972 0 40 IFAB CC(=O)N1CCN([C@H](C(=O)O)c2cn(Cc3ccccc3)c3cc(C(=O)O)ccc23)CC1 36359551 RZSGUXZVYIQPQS-QFIPXVFZSA-N 435.480 2.678 0 40 IFAB Cc1nc2c3ccccc3nc(SCCN3C(=O)c4ccccc4S3(=O)=O)n2n1 40025106 GXPADXNEIZLYMM-UHFFFAOYSA-N 425.495 2.523 0 40 IFAB O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 55408706 MMOFNVSYNNVNOS-ZWKOTPCHSA-N 441.391 2.986 0 40 IFAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1 95465544 JMWCRYOQEBTTGX-IBGZPJMESA-N 430.526 2.718 0 40 IFAB CC(C)CN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)COc2ccccc2S1(=O)=O 96145149 DISQAFZJSNJDCS-UHFFFAOYSA-N 431.558 2.976 0 40 IFAB Cc1ccc(CNC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1 100036797 IVYAZAOOERWPOI-MOPGFXCFSA-N 425.876 2.566 0 40 IFAB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1OC 220487961 SKGBNPKVGWJBDJ-OAHLLOKOSA-N 438.521 2.746 0 40 IFAB COC(=O)c1cn(C(=O)[C@@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)c2ccccc12 222622166 OUQHKRPUCPCNPH-IBGZPJMESA-N 428.466 2.604 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1C(=O)N1CCCC1 224076448 GZVJNHATZYUKNP-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)s1 224821758 ZMZHWWCMGXBIIX-UHFFFAOYSA-N 437.547 2.750 0 40 IFAB O=C(NCC(F)(F)F)c1cc(C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n[nH]1 225565053 TUELBTRFINXMTB-DHZHZOJOSA-N 442.463 2.882 0 40 IFAB C[C@H](NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)c1cccs1 248381478 TXWPDEXWFLRQQI-AYSMAOOMSA-N 427.526 2.845 0 40 IFAB COc1ccc([C@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C(C)=O)cc1 257231156 GFOMTSRJPNSWFX-XMMPIXPASA-N 437.540 2.573 0 40 IFAB COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC1(O)CCN(C(C)=O)CC1 257267047 MFSWPDJOMSWYSJ-FQEVSTJZSA-N 447.576 2.662 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccccc4OC)C[C@H]2C3)cc1 306125783 DCDCUXJHAJFNOC-QZTJIDSGSA-N 433.512 2.852 0 40 IFAB Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(C(=O)Cc4ccccc4C)CC3)O2)cc1 306136721 QAZQGFVJEKWYKX-DEOSSOPVSA-N 449.595 2.854 0 40 IFAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O 408549136 PPRADLVFLFEFRX-CXUHLZMHSA-N 430.844 2.993 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 408618116 CVAACWBNNWUYFG-UHFFFAOYSA-N 447.523 2.948 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 408627001 XDOIDOJJHSUBRA-UHFFFAOYSA-N 446.525 2.896 0 40 IFAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1ccc(F)cc1 408659950 KJJCZCZKJCMEDH-LATRNWQMSA-N 434.423 2.933 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCCn1ccnc1 408675836 LAWWJNDQSXLMAO-UHFFFAOYSA-N 428.514 2.578 0 40 IFAB CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409061875 JLSZLEDROVIVKE-PKTZIBPZSA-O 431.491 2.908 0 40 IFAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 534140391 SDYCZOWHKXJXBT-RTBURBONSA-N 437.540 2.966 0 40 IFAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1cc2ccccc2o1 575621715 RQMUBFYHAAUVMO-GOSISDBHSA-N 441.509 2.667 0 40 IFAB O=C(NCc1ccccc1)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 1775973887 JJJBGADGFQMMIO-UHFFFAOYSA-N 428.500 2.608 0 40 IFAB O=C(CCc1ccc[nH]1)N1CCO[C@]2(C1)C(=O)N(Cc1cccnc1)C[C@@H]2c1ccccc1 2055731771 UPAIEHQPBFBBET-BVAGGSTKSA-N 444.535 2.766 0 40 IFAB Cc1nc(CN2CC[C@@H]3CN(S(=O)(=O)c4ccc5c(c4)CCO5)C[C@@H]3CC2)cs1 2056224267 OSKAOVPDEOPURJ-HDICACEKSA-N 433.599 2.919 0 40 IFAB Cc1ccsc1S(=O)(=O)N1CCC[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056224438 JEADMPBNEKYXMH-HXUWFJFHSA-N 425.620 2.546 0 40 IFAB CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 976061 SMSNEMZOXJBRJJ-HNNXBMFYSA-N 434.880 2.580 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-[n+]2ccc(C)cc2)cc1 2274431 FYKLPRKNJSPGON-UHFFFAOYSA-O 434.501 2.974 0 40 IFAB O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)NCc1ccc(Cl)cc1 3316425 ALLRZSYRRMXSAY-UHFFFAOYSA-N 426.803 2.531 0 40 IFAB CC(C)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9000972 IRPABGMEQYHBAH-UHFFFAOYSA-N 429.480 2.764 0 40 IFAB NC(=O)NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 9334393 PZOXWXRTEVBVGF-UHFFFAOYSA-N 432.889 2.568 0 40 IFAB CCN(C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9429428 CGXMJYICEXVMJR-BROBNYNCSA-N 448.566 2.705 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nncn1-c1ccccc1)n2CCC 9491343 PIYFPRKZODTFGG-UHFFFAOYSA-N 439.545 2.969 0 40 IFAB CCn1c(CC(=O)Nc2nccs2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 9583093 PMDBYRKAKHOBQP-JTQLQIEISA-N 437.576 2.820 0 40 IFAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccccc2Cl)CC1 9631158 VODMWVRHJYXKRF-YTBHAWNYSA-N 433.961 2.967 0 40 IFAB COc1ccc(CC(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 9632404 QWBNEJWWCMMKJM-UHFFFAOYSA-N 442.896 2.690 0 40 IFAB CCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C 9716144 JOIGGAJHFFIDNL-UHFFFAOYSA-N 449.529 2.615 0 40 IFAB CCOc1ccc(NC(=O)CN2CCn3cccc3[C@@H]2C)cc1S(=O)(=O)N1CCCC1 9780733 YAAKRBBIXQSODC-KRWDZBQOSA-N 446.573 2.687 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2N)cc1 9959108 HYTVYEXJKXOUJI-GFCCVEGCSA-N 439.921 2.793 0 40 IFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 10721037 BXMIIPFWAGQRRW-UHFFFAOYSA-N 443.488 2.956 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 10727152 YITCRSRYIDHEEZ-VSRDTVRMSA-N 435.542 2.600 0 40 IFAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1OC 10795888 IAGSUEVDBMCKRM-VQHVLOKHSA-N 431.441 2.925 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)n1 12166991 OSRUPDHSSKTAMI-UHFFFAOYSA-N 445.472 2.918 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc1OC 12329287 IHSSBGJPZLWVJF-APWZRJJASA-N 448.516 2.768 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 12599108 TXGIJDYKSHWXPH-JOCHJYFZSA-N 449.532 2.564 0 40 IFAB O=C(CNC(=O)c1ccc(F)cc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 12789272 UKILQKYJUQSFLT-BOPFTXTBSA-N 445.447 2.547 0 40 IFAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC)c(OC)c3)[C@@H]4C2=O)cc1 12891489 NKGOUZCCDHHQKG-LOCCHRAXSA-N 436.464 2.638 0 40 IFAB biogenic COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2=O)c(OC)c1 12941862 QLKKGIJORADTNE-QAETUUGQSA-N 432.517 2.778 0 40 IFAB C[C@@]1(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)CCS(=O)(=O)C1 13014716 FHAYTOLNFHEJBH-LJQANCHMSA-N 438.575 2.829 0 40 IFAB COc1cc2c(cc1OC)CN([C@H](C)C(=O)Nc1sc3c(c1C(N)=O)CCC3)CC2 13163358 JNWALABNXIDICB-GFCCVEGCSA-N 429.542 2.738 0 40 IFAB COc1ccc(N(CC(=O)NCCCN2CCCCC2)S(=O)(=O)c2ccccc2)cc1 13670006 XRKOTFHSEUYENU-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)CC1 14101083 LPSZKBYNYGOFDV-UHFFFAOYSA-N 432.546 2.596 0 40 IFAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)cc2)c1C 17098400 SNRYLPODDSFWEC-OQUILHJVSA-N 433.486 2.778 0 40 IFAB Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccc(F)cc1 17170929 BFNYWGNDZVLBKY-UHFFFAOYSA-N 440.250 2.823 0 40 IFAB Cn1cc(NC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)cn1 19290729 OYFFLFWDZKQASR-SFTDATJTSA-N 431.544 2.665 0 40 IFAB CN(C)c1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19587763 ULLRGPLSFQEWMZ-KNQAVFIVSA-N 440.567 2.853 0 40 IFAB CNc1cc(C2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)nc(CN(C)C(C)=O)n1 19710093 BGJSNFRYJHMZOF-KRWDZBQOSA-N 439.560 2.979 0 40 IFAB CNc1cc(CN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)nc([C@@H]2CCCN2)n1 19760038 QOYSONWHLHIRPT-HNNXBMFYSA-N 429.468 2.782 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)N[C@@H](C)CC)cc2c1 20081359 CZSIUUAJFLEMPF-KRWDZBQOSA-N 446.617 2.734 0 40 IFAB Cc1ccc(NC(=O)NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cc1C 21690905 UFCAYVKQTFZTDY-UHFFFAOYSA-N 430.534 2.507 0 40 IFAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2)CC1 22585946 ZQHMMRWJABKJIV-SFHVURJKSA-N 443.569 2.647 0 40 IFAB COc1cccc([C@H](CNC(=O)C(=O)Nc2cc(C)nc3ccccc23)N2CCOCC2)c1 23107141 UVTHQKZFXRFRJJ-QHCPKHFHSA-N 448.523 2.680 0 40 IFAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1nc(N)nc(N(C)C)n1 24903965 NJXBUJJYZCPRDL-DOMZBBRYSA-N 444.540 2.950 0 40 IFAB CC1=C(C(=O)OC(C)C)C(c2ccc(OCC(N)=O)cc2)C(C(=O)OC(C)C)=C(C)N1 26770715 PZAPAMJLYOMUIO-UHFFFAOYSA-N 430.501 2.689 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 27746922 USIXFBYHEBQAHZ-UHFFFAOYSA-N 426.542 2.822 0 40 IFAB CC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 32901145 BGQQLOLWLGNWTR-NRFANRHFSA-N 429.542 2.813 0 40 IFAB COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccc(-c4ccc(=O)[nH]n4)cc3)n2)cc1 42381025 HUKADJHENMOPBM-OAHLLOKOSA-N 443.463 2.869 0 40 IFAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 44852697 MVFZNYDLDZAWRR-AUUYWEPGSA-N 438.933 2.759 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(Cl)cc23)c1 57110948 WWVKMMNZJNDWBR-IRQJKIPJSA-N 445.903 2.502 0 40 IFAB CNC(=O)c1ccn(-c2ccc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cc2)n1 58192168 JGXJQBXAKJUVQV-UHFFFAOYSA-N 430.468 2.775 0 40 IFAB CCN(CC)CCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 72339228 OPPOWRYJUILWOL-GGDAVEFXSA-N 429.561 2.798 0 40 IFAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)NCCc3ccccc3)CC2)C1 72394453 NWELJWRNCSQEML-UHFFFAOYSA-N 435.568 2.929 0 40 IFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@@H]21 96010138 YGVIWKXTFDOOSJ-BHYGNILZSA-N 448.589 2.964 0 40 IFAB COc1ccc(CC(=O)N2Cc3nc4cc(-c5ccccn5)nn4c(O)c3C2)cc1OC 100215674 PVWPHFQCOSCNQK-UHFFFAOYSA-N 431.452 2.599 0 40 IFAB COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 100355439 LPWCGQSHIPNJPH-RHSMWYFYSA-N 429.226 2.585 0 40 IFAB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccccc2)C1 100398773 BSQQNFFTCNJNFQ-OLZZFSTQSA-N 442.471 2.957 0 40 IFAB CC(C)[C@@H](Sc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O 104092103 JJYZZVBOMDNFOP-IJEWVQPXSA-N 434.566 2.713 0 40 IFAB C[C@H]1C[C@@H](C)CN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)C1 139072764 CVIFACNZOVLYFR-NTZNESFSSA-N 431.443 2.595 0 40 IFAB COC(=O)C1CCN(C(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)CC1 219161544 KRVJKANPSBSSDR-UHFFFAOYSA-N 428.510 2.582 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 219257934 KRNNBZLQOFBQAX-UHFFFAOYSA-N 446.554 2.857 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c(OC)c1 223888801 FROODILVMLIXNR-UHFFFAOYSA-N 434.514 2.660 0 40 IFAB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958063 DGEWYRCZGKSYEV-UHFFFAOYSA-N 427.862 2.836 0 40 IFAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)C1CN(c2cc(-n3cccn3)ncn2)C1 253473769 YIYCZKWZWJDTIQ-UHFFFAOYSA-N 449.515 2.720 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)c4ccsc4)C3)nn2c(O)c1CCC(=O)NC(C)C 257284580 PDGCEOBBTZIMEK-HNNXBMFYSA-N 441.557 2.892 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3ccccc3OC)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306134215 NFUIVPCLJXCOLW-YKSBVNFPSA-N 426.561 2.937 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)C1 390831627 SYLXAAXEVZEXFY-CQSZACIVSA-N 447.561 2.664 0 40 IFAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 409376569 ZOWITPFMYFLYTR-UHFFFAOYSA-N 431.558 2.647 0 40 IFAB Cc1nc(N2CCC(NS(=O)(=O)c3cn(C)c(C(C)C)n3)CC2)cc(C(F)(F)F)n1 585149529 ZNSOGQQFSDOEHT-UHFFFAOYSA-N 446.499 2.608 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)c1 2056223706 BIBAATHRQVGPPR-OAQYLSRUSA-N 432.546 2.565 0 40 IFAB O=C(c1ccc(F)cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 1325151 BEVACEHNHVHOAT-UHFFFAOYSA-N 432.459 2.722 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1936279 INMXNDZZXGGNQP-UHFFFAOYSA-N 440.452 2.513 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)on2)c1 2653289 GJAUBUUBSNERBL-UHFFFAOYSA-N 445.453 2.588 0 40 IFAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)C(c1ccccc1)c1ccccc1 3274822 KSXMWKILSZXDJD-UHFFFAOYSA-N 432.476 2.939 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3303896 CNHDYHVUCAHPPK-HNNXBMFYSA-N 448.566 2.670 0 40 IFAB O=C(OCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1C(=O)c1cccs1 3306047 NENIYOQNRWJZNV-KRWDZBQOSA-N 426.494 2.972 0 40 IFAB CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 4897678 ZELKDIAQANIUDA-NRFANRHFSA-N 426.492 2.686 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 8686721 HAFAQMHJCTXHPP-UHFFFAOYSA-N 448.504 2.860 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c2ccccc2O1 8725743 KMSMQGDXTUHNOG-NQIIRXRSSA-N 425.485 2.846 0 40 IFAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCCCN1CCCC1=O 8865162 FIUGCSRTXVYTJB-UHFFFAOYSA-N 439.537 2.603 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C(=O)N(CCc3ccccc3)C[C@]23C=C[C@H]1O3 8879328 KRMUSJBFIHWDDU-ANNHOSHMSA-N 441.531 2.851 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CSc1nc2ccccc2o1 9449044 XBCOYURHTAPHSK-HNNXBMFYSA-N 448.570 2.751 0 40 IFAB O=C(CNC(=O)NC1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(F)c(F)c1F 9575381 ZVKGCEPMYGNVDH-UHFFFAOYSA-N 434.418 2.646 0 40 IFAB O=C(CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1)NCc1ccccc1 9599970 NRTQRVFMSVSNQA-UHFFFAOYSA-N 428.495 2.928 0 40 IFAB CCS(=O)(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1 9631446 BEGYZUNZBHQIMO-UHFFFAOYSA-N 439.559 2.858 0 40 IFAB COc1ccccc1-n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 9829469 PVOXKRHVNUPOQA-UHFFFAOYSA-N 447.470 2.951 0 40 IFAB O=S(=O)(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1ccccc1Cl 11694560 DCNFQJLPUIFGOI-UHFFFAOYSA-N 447.879 2.941 0 40 IFAB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1OC 12371194 AQGSTIPZXRGTNT-GOSISDBHSA-N 429.395 2.577 0 40 IFAB O=C(CSc1nnnn1-c1ccc(O)cc1)NCC1(N2CCCCC2)CCCCC1 12601001 FHEGXNOJUCFPQE-UHFFFAOYSA-N 430.578 2.765 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 12738054 LZTBNXZXDUIFHL-UHFFFAOYSA-N 440.887 2.914 0 40 IFAB C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12887125 VDQDXBBARHBDTC-HNNXBMFYSA-N 449.523 2.787 0 40 IFAB C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12971689 ZTKUUACAZNIVTF-AWEZNQCLSA-N 426.897 2.780 0 40 IFAB CCc1ccc(CN(C)C(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12975889 KYZIJWDKAVEREU-UHFFFAOYSA-N 447.576 2.743 0 40 IFAB O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)N1CCOCC1 13084045 XRSSAANUBBUPHM-UHFFFAOYSA-N 425.489 2.822 0 40 IFAB CCOC(=O)[C@@H](C(=O)COC(=O)c1cc(Br)ccc1O)c1nc(C)cs1 13148758 IDYLLLYAHJLJLD-AWEZNQCLSA-N 442.287 2.992 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSC1=N[C@H](c2c[nH]c3ccccc23)NC(N)=N1 13579097 XZALUMMUCXTOIM-GOSISDBHSA-N 436.497 2.599 0 40 IFAB O=C(Nc1ccc(O)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 13623923 FZWIMWNARPJVMD-MRXNPFEDSA-N 443.525 2.558 0 40 IFAB COc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1F 13799418 BNNHAQNIEYXFPW-UHFFFAOYSA-N 435.452 2.566 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 15172275 LHVINTLFDPLWIX-XCVCLJGOSA-N 447.944 2.878 0 40 IFAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccccc2)c2ccco2)cc1 17043240 MQTHDXHSKKKRCU-FQEVSTJZSA-N 426.494 2.536 0 40 IFAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1ccccc1F)[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@H]31 18059806 ZAOKSCPLTUYESP-CNYLWQDDSA-N 434.398 2.692 0 40 IFAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 18151198 YGQNDFWVBINIJF-UHFFFAOYSA-N 446.569 2.814 0 40 IFAB Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CC2)c1 19133740 XHOPQJINLZWVMW-DVECYGJZSA-N 443.613 2.870 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CCCCO3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19285431 MHNCPWTXTMPYRQ-GBESFXJTSA-N 441.528 2.764 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 19591851 KVSVMGQHFUDBFB-SANMLTNESA-N 445.519 2.957 0 40 IFAB Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)c2ccc3c(c2)nc(C)n3C)n1 19697302 RRMLJGSZPUAIHB-UHFFFAOYSA-N 442.523 2.883 0 40 IFAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc2c1CN(C)CC2 19710545 BFQGCBWGOOLYTN-HNNXBMFYSA-N 433.553 2.522 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CCc1ccccc1 19740866 NBSGAVKNOSZDQN-OAQYLSRUSA-N 435.572 2.922 0 40 IFAB COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)c3c[nH]nc3C)CC2)nc1C 19766628 RPMJVUHOMKCOQJ-UHFFFAOYSA-N 448.527 2.775 0 40 IFAB CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)CC1 22132123 UMEACWHIEGRKOG-KRWDZBQOSA-N 437.569 2.734 0 40 IFAB COc1cccc([C@H](c2sc3ncnn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1 22609925 LOMGGUSOEWAZQX-QGZVFWFLSA-N 439.497 2.645 0 40 IFAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 22766605 KGPQCWPCSTVESW-MRXNPFEDSA-N 427.448 2.895 0 40 IFAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)=NN1c1ccccc1 24970794 ROHHOMGOOKVOQF-SFHVURJKSA-N 434.525 2.955 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 27025359 DATWFLTZESFLSZ-GANRHZMWSA-N 428.897 2.963 0 40 IFAB Cc1cc(=O)c(C(=O)NCc2ccc(Cn3cncn3)cc2)nn1-c1ccc(Cl)cc1 32868967 JKIXIXZUCLDDQD-UHFFFAOYSA-N 434.887 2.764 0 40 IFAB NC(=O)CCc1nnc(SCc2ccc(Br)cc2)n1C[C@@H]1CCCO1 32895037 TWFKDTQXASOGRT-AWEZNQCLSA-N 425.352 2.930 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccccc3)c2)CC1 32975545 KIPGTEFETMILNY-UHFFFAOYSA-N 435.977 2.938 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c([N+](=O)[O-])cc1OC 33399886 ZSRFDTXHLYSJAH-SXGWCWSVSA-N 435.458 2.661 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1c(F)c(F)cc(F)c1F 36614708 OALZXDDXOTTZRP-UHFFFAOYSA-N 435.312 2.916 0 40 IFAB Cc1cc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)on1 36708513 SCWNWZOFMGWMCH-UHFFFAOYSA-N 428.493 2.970 0 40 IFAB COc1cc(Br)c(S(=O)(=O)NCCN2CCc3ccccc32)cc1OC 40149887 TYDWNDDYFQIBBB-UHFFFAOYSA-N 441.347 2.807 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3[nH]ncc3c2=O)cc1 51316553 LXADDJHWGDNKPI-UHFFFAOYSA-N 449.536 2.959 0 40 IFAB Cc1cccc2cc(CN(Cc3cccnc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c12 57607229 SHNGLYGGIIPJQD-OAQYLSRUSA-N 445.527 2.599 0 40 IFAB CN(C)C[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](O)c1ccccc1 65491279 SRMYXPRXYVKNIU-VLIAUNLRSA-N 432.908 2.704 0 40 IFAB O=C(Cn1c(=O)n(C2CC2)c(=O)c2snc(-c3ccccn3)c21)Nc1ccc(F)cc1 67350270 UMSBBTSQEDPKSH-UHFFFAOYSA-N 437.456 2.794 0 40 IFAB COCCOCc1cccc(NC(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)c1 72275397 YBLKRPVRTWNMIO-UHFFFAOYSA-N 448.608 2.798 0 40 IFAB COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CNC(C)=O)nc21 72372938 XBXHDTFMEIKMJE-FQEVSTJZSA-N 437.544 2.546 0 40 IFAB CN(C)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 78802961 MQCYXOXIPVPOLG-NRFANRHFSA-N 441.597 2.923 0 40 IFAB CC(C)[C@H](Sc1nccn1Cc1ccccn1)C(=O)N1CCN(c2ncccn2)CC1 78808595 GXWYMBWQSGEHHT-IBGZPJMESA-N 437.573 2.582 0 40 IFAB C[C@@H](OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)c1cccc(Cl)c1 102640328 LOQBAPSGARVXSQ-UWZDRKSFSA-N 427.884 2.898 0 40 IFAB COc1cc(OC)cc(OCC(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)c1 218900833 UDECMOQZJSRQES-UHFFFAOYSA-N 443.456 2.808 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222934858 SMJRJNUXCSMZNY-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCCN2CCc3ccccc32)s1)c1ccccc1 223413892 YFWFBWCSEYLPOZ-UHFFFAOYSA-N 443.554 2.522 0 40 IFAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 224100930 UANHWDQLBZBBJN-HNNXBMFYSA-N 426.485 2.931 0 40 IFAB COc1cc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)ccc1OC(C)C 224699793 OHOUIHPJUUFZTL-UHFFFAOYSA-N 442.563 2.797 0 40 IFAB CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1NC(C)=O 224755327 YNWYJUMITCPLGT-UHFFFAOYSA-N 449.598 2.678 0 40 IFAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)C1 257207293 BHCSITJBAALILM-SFHVURJKSA-N 431.558 2.559 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)cc1 260886159 GANQCUBORSOFQC-GOSISDBHSA-N 445.585 2.762 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(O)cc2)C1=O 409240024 JCFHGDNMPQOLAI-CPNJWEJPSA-N 432.436 2.723 0 40 IFAB CS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc(Br)cc3nc[nH]c23)c1 505698607 ZEYWFFRGUYZLOD-UHFFFAOYSA-N 426.267 2.798 0 40 IFAB CSCC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1c(O)nc2ccccc2c1=O 524733162 AGHSABVYKYKRHD-VQTJNVASSA-N 439.537 2.996 0 40 IFAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CCc2ccccc2Cl)CCO1 585282492 DZFBIPNGXJOIDS-QFIPXVFZSA-N 434.895 2.964 0 40 IFAB C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 683179948 QRZQUZSGWWHAEG-VWLOTQADSA-N 446.507 2.850 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1ccc(Cl)cc1 2225511 UJHXXLFVTXHFBH-NVXWUHKLSA-N 430.888 2.857 0 40 IFAB COCCOC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 2887971 PKBHRIKINNGYOJ-UHFFFAOYSA-N 429.498 2.825 0 40 IFAB O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Sc1ccccc1 4259267 XFSHLBGWBCAMIF-BSDSXHPESA-N 431.518 2.591 0 40 IFAB biogenic,in-vitro COc1ccc2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 6176808 BIVQUQVSSYLWEW-FQEVSTJZSA-N 438.553 2.987 0 40 IFAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 8464191 BKVHGSXWOWPNFO-UHFFFAOYSA-N 431.496 2.690 0 40 IFAB CSc1nc(O)c(C(c2ccccc2Cl)c2c(O)nc(SC)[nH]c2=O)c(=O)[nH]1 8716678 QIITXPCHMXPSMR-UHFFFAOYSA-N 438.918 2.542 0 40 IFAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(CCCO)nn2[C@H]1c1cccc(O)c1 8830843 BHLKATAHDREZNF-NRFANRHFSA-N 435.484 2.845 0 40 IFAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCCOC)s1 8912442 ZOAIHZHBXSFHFV-UHFFFAOYSA-N 438.980 2.871 0 40 IFAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)c1 9190124 WUKMYDOOPORTFC-PBHICJAKSA-N 431.562 2.792 0 40 IFAB C[C@H]1Oc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC4CC4)c3)cc2NC1=O 9217160 AHNBOUTXCYABJP-SNVBAGLBSA-N 435.889 2.752 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@H](NC(C)=O)C(C)C)ccc1C 9689969 NLNQNKHDISPVLS-HXUWFJFHSA-N 433.530 2.904 0 40 IFAB COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 10273614 VGTBVNWFLYLDPB-GOSISDBHSA-N 434.901 2.903 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 10287524 KDVLOAMDFKYOGQ-YRNVUSSQSA-N 430.526 2.559 0 40 IFAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1 11694384 MLOWJYLKRWKIFQ-UHFFFAOYSA-N 426.448 2.991 0 40 IFAB O=C1C[C@@H](C(=O)Nc2cccc(F)c2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 12389509 PLFVQBVJARERDS-QGZVFWFLSA-N 433.443 2.536 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 12538386 ROCXSDDZZLZUDI-UHFFFAOYSA-N 428.514 2.839 0 40 IFAB Cc1cc(C(=O)CN(C)CC(=O)N2CCCC2)c(C)n1C[C@H]1COc2ccccc2O1 12766448 GXURVLXAGPOCLZ-IBGZPJMESA-N 425.529 2.682 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 12918087 XDBYMZDTLVEHIU-UHFFFAOYSA-N 440.852 2.758 0 40 IFAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12971687 ZTKUUACAZNIVTF-CQSZACIVSA-N 426.897 2.780 0 40 IFAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccccc2F)CC1 13038914 YNIBFZPQKVBEQN-ZDUSSCGKSA-N 438.425 2.508 0 40 IFAB CCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 13514146 NADAJMCAIACFHW-UHFFFAOYSA-N 431.901 2.811 0 40 IFAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 13568095 MZEFEMFZKIKAJB-OAHLLOKOSA-N 433.530 2.847 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)NCCc1ccccc1 13992323 ZDVPXVOWJVLLJU-UHFFFAOYSA-N 431.467 2.710 0 40 IFAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 14116504 UVSYSZJTESFEBM-LJQANCHMSA-N 428.905 2.875 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)NNc3ncc(C(F)(F)F)cc3Cl)ccc21 15243784 RCTJNIFZJAHMQJ-UHFFFAOYSA-N 434.827 2.968 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 15615211 PGWYGXGZURPSLK-KRWDZBQOSA-N 446.525 2.911 0 40 IFAB O=C(NCCSCc1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 17604081 CMFCBLXLJRUJIF-UHFFFAOYSA-N 438.546 2.510 0 40 IFAB CS(=O)(=O)N1CCc2cc(C(=O)O[C@H](C(=O)N3CCCCC3)c3ccccc3)ccc21 17956799 QXQKPPKQCARSLF-NRFANRHFSA-N 442.537 2.919 0 40 IFAB C[C@H](NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)c1ccncc1 19459748 CXIWXQRPBMFREK-HNNXBMFYSA-N 429.904 2.996 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[nH]c(=O)c1Cc1ccccc1 19579252 BYWBYFFMLVITDX-QFIPXVFZSA-N 442.519 2.989 0 40 IFAB CN(C)c1cc([C@H](Cc2ccccc2)NC(=O)CN2CCCC2=O)nc(-c2cccnc2)n1 19584338 GKSGLHXUTXTFDU-FQEVSTJZSA-N 444.539 2.627 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)CC2=CCCOC2)n1 19700933 KRLMTTVHOGEUED-QGZVFWFLSA-N 425.508 2.956 0 40 IFAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1cccc3cccnc13)C2 19708876 GBQVYFYCVLUHQZ-GOSISDBHSA-N 444.539 2.991 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 19709849 BIFIFCKSOURZSJ-FQEVSTJZSA-N 425.533 2.654 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1CN(C(C)=O)CC2 19710882 KSPCKKLPZMDNAX-NRFANRHFSA-N 437.544 2.728 0 40 IFAB Cc1nc(N)nc(C)c1CCC(=O)N1CC[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19761516 LNIWYWFUMJZBGJ-QGZVFWFLSA-N 446.555 2.874 0 40 IFAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(CCc4ccccn4)CC3)c(C)c12 20623374 IGWGNHRZCPGJDS-UHFFFAOYSA-N 435.524 2.743 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 21488195 VWNMYXKMHMCREW-MRXNPFEDSA-N 425.457 2.920 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 22024467 BRHYTUQMNWPHQM-UHFFFAOYSA-N 431.514 2.802 0 40 IFAB COc1cc2nc(CN3CCN(Cc4ccc(Cl)cc4)CC3)[nH]c(=O)c2cc1OC 22933862 HHADYNJBZKAIKD-UHFFFAOYSA-N 428.920 2.912 0 40 IFAB COc1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(OC)cc1Cl 30942780 CCWMONNCUCDRMS-SFHVURJKSA-N 440.905 2.831 0 40 IFAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccnc3OC)c2)cc1 32018067 LTAZTQMNPFGUAZ-UHFFFAOYSA-N 427.482 2.830 0 40 IFAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 32910579 SEPUTKUTLPCDQI-SJLPKXTDSA-N 448.545 2.578 0 40 IFAB Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)Cc2ccccc2)CC1 40156200 FAHOKVJVVQTMPX-HXUWFJFHSA-N 429.586 2.537 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1Cl 44939945 NDHNNUJXRPFUCM-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB C/C=C/c1ccc(OC[C@@H](O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c(OC)c1 58010428 HRCWOYBVCDNWJV-JFDDCEBESA-N 426.469 2.895 0 40 IFAB O=C(NCC(=O)N1CCN(c2cnccn2)CC1)Nc1ccccc1Oc1ccccc1 65591205 LEHWQBATFWFIAA-UHFFFAOYSA-N 432.484 2.739 0 40 IFAB O=C(c1ccncc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 70904434 WSFDNYRKGWYHOL-UHFFFAOYSA-N 427.448 2.931 0 40 IFAB NS(=O)(=O)Cc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 79072192 VLTVUPPXXFXGQQ-LJQANCHMSA-N 430.551 2.913 0 40 IFAB COc1cc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc(OC)c1OCC(N)=O 95348896 LGBREOQUTPMQRI-UHFFFAOYSA-N 440.452 2.709 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(Cl)ccn3)CC2)cc1 95457322 KCTQKMBROJXJQJ-UHFFFAOYSA-N 437.949 2.851 0 40 IFAB COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1 96098364 NJTGNOLMOQKYOA-UHFFFAOYSA-N 439.515 2.514 0 40 IFAB COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(C(C)C)cc3)c(=O)n12 100639599 CVQRHMLKWFJPEG-OWTFWBMBSA-N 448.544 2.982 0 40 IFAB CSc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 222723589 UMGCQHVJJWAIAT-AWEZNQCLSA-N 436.555 2.823 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)ccc1OC 223785459 DKBCKFNXTLHUHD-UHFFFAOYSA-N 431.514 2.681 0 40 IFAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1C 223823407 RQHRLXXBTDNDCT-UHFFFAOYSA-N 439.493 2.907 0 40 IFAB C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O 224805591 WEXXHWXTYNBBPL-KRWDZBQOSA-N 434.533 2.845 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C2)cc1 257246267 ITJJBMGQVPNNJR-KRWDZBQOSA-N 439.541 2.542 0 40 IFAB COc1ccc(CN(C(C)=O)c2ccc(N3CCOCC3)c(C(=O)O)c2)c(OC)c1OC 408563924 BMTVXOPFAZMFPW-UHFFFAOYSA-N 444.484 2.800 0 40 IFAB CSCC[C@@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)n1c(O)nc2ccccc2c1=O 524734089 VJWKGJVBHADIRJ-KRWDZBQOSA-N 436.497 2.820 0 40 IFAB Cc1ccccc1[C@@H](CC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1)NC(N)=O 536277723 INMVVAMWEWFIAL-IEBWSBKVSA-N 448.445 2.813 0 40 IFAB O=C1CCCN1[C@@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H]2CCOC2)C1 555504815 RDLZEZFNXIHYED-AZUAARDMSA-N 434.544 2.519 0 40 IFAB O=C(NCC(F)(F)F)[C@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226447 RRFVIHLMWONAHM-GDBMZVCRSA-N 426.357 2.744 0 40 IFAB COc1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)COc3ccccc32)cc1OC 1361633 CKUQSDRZKMUIRQ-GOSISDBHSA-N 440.496 2.637 0 40 IFAB Cn1c(=O)c2c(nc(NCCc3ccccc3)n2Cc2c(F)cccc2Cl)n(C)c1=O 1429490 RYXXXKNMBJHVDC-UHFFFAOYSA-N 441.894 2.929 0 40 IFAB biogenic CCOC(=O)c1c(N)n(CCNC(=O)c2ccc(OC)cc2)c2nc3ccccc3nc12 2324786 ZLRRXGMLGBTZMR-UHFFFAOYSA-N 433.468 2.782 0 40 IFAB CCOc1cccc2cc(C(=O)NCCn3nc(-c4cccs4)ccc3=O)c(=O)oc12 8954865 VFLWHAIZWFKUHC-UHFFFAOYSA-N 437.477 2.907 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(CN2CCCC2=O)c1 8966382 FHEWMFPAXZUWAI-UHFFFAOYSA-N 427.526 2.846 0 40 IFAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N[C@H]1CCS(=O)(=O)C1 8991036 LYCGXKXXUSKNOU-AWEZNQCLSA-N 447.896 2.796 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)n1 9216784 LWZWPWBYTDLLHM-HSZRJFAPSA-N 431.500 2.949 0 40 IFAB CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 9403512 DWVCQQVZPYMHNX-UHFFFAOYSA-N 442.537 2.853 0 40 IFAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9533047 DGZPVLRROZQUSU-GZTJUZNOSA-N 439.537 2.572 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(F)ccc4F)[C@H]3C2=O)cc1Cl 9675130 GYPDRMMKRFBZJU-DLBZAZTESA-N 449.801 2.559 0 40 IFAB Cc1cc(NC(=O)c2ccc[nH]c2=O)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 12789151 ISKIQOUDYJYZHG-UHFFFAOYSA-N 425.466 2.591 0 40 IFAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CNC(=O)C(=O)NCc2ccccc2)c1 12815010 YUKGRPFIQHOMRV-UHFFFAOYSA-N 444.491 2.618 0 40 IFAB O=C(Nc1cnc(-c2ccccc2)nc1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12936269 VOKVHBRAXACIAR-UHFFFAOYSA-N 447.520 2.943 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 12976993 RVJAXJAPQVEPFO-JOCHJYFZSA-N 439.523 2.910 0 40 IFAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13407977 MOJRTVSFFCKXJR-LJQANCHMSA-N 449.536 2.791 0 40 IFAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 14200710 SAXHGHMQIIBYDU-NRFANRHFSA-N 433.480 2.949 0 40 IFAB CCCCn1c(N)c(N(CCOC)C(=O)c2oc3c(Cl)cccc3c2C)c(=O)[nH]c1=O 14624293 PRQVHJYHBOBZOZ-UHFFFAOYSA-N 448.907 2.920 0 40 IFAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 16047173 BCQWUYCSUSKCOC-PXAZEXFGSA-N 436.434 2.820 0 40 IFAB Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccccn1 16756034 QLABJPKYEUPQEH-UHFFFAOYSA-N 441.261 2.825 0 40 IFAB COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)[C@@H](N)CCC(=O)O 16957783 AWQXRZKLOCRIGY-JFDDCEBESA-N 445.468 2.989 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(CC)c2=O)cc1 17316987 OZPHVTNLTMKRJZ-UHFFFAOYSA-N 437.500 2.732 0 40 IFAB O=C1NC2(CCN(C(=O)CCCC(=O)N3CCc4ccccc43)CC2)Nc2ccccc21 19375402 DPBFMPJXPDFMRC-UHFFFAOYSA-N 432.524 2.920 0 40 IFAB CC1=NN(CCC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)CC1 19461977 HHFQWFGSEIDJHU-UHFFFAOYSA-N 448.571 2.786 0 40 IFAB CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19707821 DVMSGSIBIMSECJ-HXUWFJFHSA-N 425.508 2.858 0 40 IFAB CCS(=O)(=O)N(CC(=O)N(C)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 20494530 YRISSBNUPBLDFS-UHFFFAOYSA-N 438.933 2.926 0 40 IFAB Cc1ccc(Nc2nc(N)nc(COC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)n2)cc1 21604672 ZRAHKQNMDIBLQJ-INIZCTEOSA-N 432.484 2.911 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697752 YUWRULOLKGPFBG-QFIPXVFZSA-N 443.544 2.681 0 40 IFAB CS(=O)(=O)N1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 24401678 AOXZHQUIFZKTAQ-OUKQBFOZSA-N 436.537 2.656 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1OC 24527761 JXDZNZIOEWTNBQ-UHFFFAOYSA-N 443.525 2.865 0 40 IFAB O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 26308612 ORBGPBULIQTAMI-SFHVURJKSA-N 445.449 2.610 0 40 IFAB COc1ccc(OC)c(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)c1 27526507 MGFSVBIJRXFISF-UHFFFAOYSA-N 435.531 2.592 0 40 IFAB COc1ccccc1N(CCC(N)=O)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 29597727 NQNDMFYMSMPCJL-SFHVURJKSA-N 439.512 2.512 0 40 IFAB O=C(NCc1cccnc1-n1ccnc1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 29908627 SWVRAQKCRFEKJZ-HNNXBMFYSA-N 440.301 2.699 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC2(CC1)OCCO2 31180765 QPCPKSLBBMUTIN-UHFFFAOYSA-N 434.489 2.914 0 40 IFAB COc1cc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1NC(C)=O 35300795 GKRMCRBNHJORIN-RMKNXTFCSA-N 429.542 2.673 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 35436357 ADORENBWWCNFAZ-PMACEKPBSA-N 429.586 2.519 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 35504014 WSARRBFWPOIJFG-UHFFFAOYSA-N 427.448 2.650 0 40 IFAB COC(=O)[C@@H](C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1F 36589839 VSTHLZSUYUJKEL-PSLIRLAXSA-N 425.258 2.530 0 40 IFAB CSCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)c(C)s1 36594904 RSVNRMFMUVXOQN-DOTOQJQBSA-N 446.598 2.989 0 40 IFAB CCn1cc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2cn(C)nc2C)c(C)n1 36615329 SKUXASGLKNIZER-UHFFFAOYSA-N 447.561 2.662 0 40 IFAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)C1 57429009 YTDPVZYWHZWVMO-STQMWFEESA-N 433.480 2.997 0 40 IFAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 65614578 MXRKQSOROQXCNM-IBGZPJMESA-N 444.513 2.585 0 40 IFAB COc1cc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc(OC)c1 67226208 AVIHTIMKUYKEEJ-CYBMUJFWSA-N 443.529 2.745 0 40 IFAB Cc1ccc(Nc2n[nH]nc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 67284524 PVWOUGGZSPSXRA-UHFFFAOYSA-N 434.500 2.852 0 40 IFAB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 67286680 NTYDABKNWYJUAV-OAQYLSRUSA-N 431.533 2.997 0 40 IFAB Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69977082 IFXGWVBKBOFCAZ-UHFFFAOYSA-N 430.434 2.821 0 40 IFAB COc1cc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1 71284813 SDMPYQOAYSMEPO-UHFFFAOYSA-N 432.908 2.828 0 40 IFAB CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 84739831 KUVCNOLCHLDCHP-CABCVRRESA-N 436.350 2.709 0 40 IFAB Cn1nccc1CNC[C@H]1CC[C@H](c2c(C(=O)NCCO)sc3ncccc32)CC1 100688435 VFMNIAHCUCOQBE-IYBDPMFKSA-N 427.574 2.816 0 40 IFAB COc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC1)O2 170550475 MTJGXBXOVUYKOM-UHFFFAOYSA-N 447.509 2.901 0 40 IFAB COc1ccc(-c2noc(CNC(=O)c3cccc(CN4CCOCC4)c3)n2)c(OC)c1 219248400 ZJQVAZUTVGICAH-UHFFFAOYSA-N 438.484 2.516 0 40 IFAB C[C@@H](COc1ccccc1)NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223655812 HRESJAYKIYHOEC-KRWDZBQOSA-N 448.541 2.588 0 40 IFAB COC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 223740143 QXHPJYUNWWFJJQ-UHFFFAOYSA-N 432.483 2.686 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OCC)cc1 224600324 PYDQLXPROCWAKY-UHFFFAOYSA-N 435.498 2.939 0 40 IFAB CSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)s1 225557396 YVCHCBCSHWDUHO-SNVBAGLBSA-N 432.980 2.953 0 40 IFAB CCOC(=O)c1cc(NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)ccc1Cl 225707320 MHYIDGBUMMWLPN-UHFFFAOYSA-N 432.911 2.764 0 40 IFAB CN1CCN(C(=O)c2cnc(N(C)C)nc2)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 257266103 MBPPBBLNHNKSHH-JOCHJYFZSA-N 447.514 2.874 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 260746107 RWSASQITQOECGM-CABCVRRESA-N 436.530 2.744 0 40 IFAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 524731434 XQNNTLJCYWXRQB-MIZPHKNDSA-N 443.588 2.788 0 40 IFAB biogenic COc1ccc(CCNC(=O)[C@H](C)N2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1OC 546639460 IXSSMJTVHNHNFB-VBKZILBWSA-N 432.483 2.776 0 40 IFAB Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4cccc(F)c4)C3)CC2)c1 585287586 PDWKANVPEHRUJW-RUZDIDTESA-N 444.547 2.608 0 40 IFAB Cc1sccc1C(=O)N1CCN2C(=O)OC3(CCN(c4ccc(F)cn4)CC3)[C@H]2C1 1549161468 LGAOQWTWBHDUNA-QGZVFWFLSA-N 430.505 2.906 0 40 IFAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1 1338230 PKKHHTSJTZBUJK-UHFFFAOYSA-N 429.498 2.766 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3511380 PKIHJQFVUYJVQK-HNNXBMFYSA-N 432.498 2.664 0 40 IFAB O=C(COc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1 4277694 DSUITNAWWRVXJG-ZWKOTPCHSA-N 444.491 2.520 0 40 IFAB biogenic,in-vitro CCOC(=O)C1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 6545906 LRWYVABJOMMCTR-UHFFFAOYSA-N 437.345 2.561 0 40 IFAB COc1ccc(CN(C(=O)c2nc(SC)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 8868229 QQLHANVMRKCBQQ-ZDUSSCGKSA-N 441.962 2.690 0 40 IFAB C[C@@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 9291941 MQZKFHINLITMFE-MRXNPFEDSA-N 433.487 2.740 0 40 IFAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc(OC)c1OC 9344518 IBUPZQHUPXPKFW-IBGZPJMESA-N 425.437 2.746 0 40 IFAB O=C1c2ccccc2S(=O)(=O)N1CCSc1ncnc2c1cnn2-c1ccccc1 9634153 FJZHUXXOCYYMRO-UHFFFAOYSA-N 437.506 2.752 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 10542071 HLONSGMXNAWZQC-IZZDOVSWSA-N 442.537 2.709 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 12047433 ICAKMCBISJVBEV-IBGZPJMESA-N 430.526 2.580 0 40 IFAB C[C@H](C(=O)N1CC[C@@H](c2ccccc2)C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 12086033 KDKJTALXJLMTFF-DZTNWFRXSA-N 446.551 2.955 0 40 IFAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccc1 12389125 COVADIMFKZQKAC-INIZCTEOSA-N 449.960 2.886 0 40 IFAB CC(C)COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCCO)cc1 12652572 LYQRQKVUVBGPIQ-NDENLUEZSA-N 440.496 2.720 0 40 IFAB biogenic CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 12692896 UVZXHNJLGGEJKM-GOSISDBHSA-N 443.569 2.661 0 40 IFAB CCOC(=O)c1sc2nc(C)n(C[C@H](O)COCc3ccccc3F)c(=O)c2c1C 13006016 VDNQBOTZMZZKDR-HNNXBMFYSA-N 434.489 2.968 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1 13010608 NGJZLSZSMMOAKM-NRFANRHFSA-N 425.529 2.777 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(Cl)c1 13031191 NHEZDVOQPGEDLW-HNNXBMFYSA-N 439.940 2.663 0 40 IFAB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ncccn4)CC3)s2)cc1OC 13725145 VHCRUVQLRSTSRU-UHFFFAOYSA-N 425.514 2.888 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 14017758 UCYVLJZDPOTBRS-MRXNPFEDSA-N 442.497 2.785 0 40 IFAB COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)cc1 14017761 UCYVLJZDPOTBRS-INIZCTEOSA-N 442.497 2.785 0 40 IFAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 15912199 MOXWAWKOULDSGT-HOTGVXAUSA-N 427.526 2.952 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1Cl 16016907 FUWSBEGBLIMPLY-UHFFFAOYSA-N 449.916 2.849 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1OC 17961586 ZYXYCKMBDVWYNP-NSHDSACASA-N 427.320 2.857 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccccc1F 18123202 LHRIXLMTGLSHII-LBPRGKRZSA-N 429.311 2.614 0 40 IFAB CNc1cc(C2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)nc(CN(C)C(C)=O)n1 19710092 BGJSNFRYJHMZOF-QGZVFWFLSA-N 439.560 2.979 0 40 IFAB COc1ccc(SCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1OC 20483114 OMKKHMXGGYJUED-UHFFFAOYSA-N 436.555 2.636 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1 20722201 LUXHLIVRYLKLBB-UHFFFAOYSA-N 425.441 2.619 0 40 IFAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 22699494 LLUMZHMFGGMHGJ-MRXNPFEDSA-N 447.538 2.790 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1Cl 22796411 LSYIJQYPSQGWLT-HXUWFJFHSA-N 432.927 2.831 0 40 IFAB O=S(=O)(c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc1)N1CCOCC1 23873176 SCLIXAOLOYIWQA-IBGZPJMESA-N 445.541 2.605 0 40 IFAB C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@@H](C)O1 31413564 DXNUTDYWHJQKHE-DBXWQHBBSA-N 425.529 2.554 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)NCCc3nnc4ccccn34)CCCC2)cc1C 32425445 VRMTXMQRXFQTPE-UHFFFAOYSA-N 426.542 2.792 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1cccc(OC)c1 33581503 DRFNEKPZPRHYPF-RPXHZFJKSA-N 440.546 2.868 0 40 IFAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 40153907 VEIYSLDZPGRYFJ-AWEZNQCLSA-N 425.407 2.641 0 40 IFAB CSc1nc(C)c(CCC(=O)O[C@@H](Cn2cncn2)c2ccc(Cl)cc2)c(=O)[nH]1 48304308 NSYUYODLBDDPOA-INIZCTEOSA-N 433.921 2.962 0 40 IFAB CC(C)C[C@@H]1N[C@H](C(=O)N2CCN(C)CC2)Cc2cn(Cc3nccn3C)c3cccc1c23 49171771 VUCXZTUNZSKAPO-VXKWHMMOSA-N 448.615 2.799 0 40 IFAB biogenic,in-vitro COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1NC(C)=O 65565038 QYNJCXCCWBIYHO-UHFFFAOYSA-N 449.514 2.502 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)NCc3ccccc3OC(F)(F)F)n2)n1 70655947 BZQCIHFZUXZLRO-CQSZACIVSA-N 435.406 2.822 0 40 IFAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)c4cccnc4)C3)nc2C)c1 72354997 LAPTWPQLBDUEJH-LJQANCHMSA-N 431.496 2.748 0 40 IFAB Cc1cnc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)nc1 89702264 QUJDOXCLIBUDSD-UHFFFAOYSA-N 436.965 2.976 0 40 IFAB O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(Cc2ccncc2)CC4)C1 100233651 KABCDEAAUUJDFP-GOSISDBHSA-N 432.528 2.504 0 40 IFAB COc1cccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 220169026 WBLZGMXVRVDZOD-MRXNPFEDSA-N 445.541 2.724 0 40 IFAB CCOc1ccc(N(CCCC(=O)NCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 222618078 HZWQTVGZVKFHFV-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223061782 ASDJDCIAEAMBGD-UHFFFAOYSA-N 432.477 2.874 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCCO2 224004548 CLUNPGPIOMBYOY-KRWDZBQOSA-N 426.513 2.952 0 40 IFAB COc1ccccc1[C@@H]1CCN(CC(=O)N2[C@H]3CC[C@H]2c2snnc2C3)[C@@H](C)C1=O 247949790 JROZTJHXSVBCKJ-DNUAJFIVSA-N 426.542 2.582 0 40 IFAB CC(C)c1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1 257277494 NYEOYJLOKCUKQP-VXKWHMMOSA-N 428.577 2.624 0 40 IFAB CN(C(=O)c1cnccn1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257292229 QKOPPYIZPNBNHE-GTTYTOFKSA-N 425.529 2.546 0 40 IFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390830781 NJHVFQQIAXOACG-SFHVURJKSA-N 425.576 2.631 0 40 IFAB COc1ccc(S(=O)(=O)NCCCO)cc1NC(=O)c1ccc(Cl)cc1Cl 408553960 AHZWMUICFIQFGQ-UHFFFAOYSA-N 433.313 2.915 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)CC1 408587879 CNHSVIHGDLBEGV-UHFFFAOYSA-N 445.585 2.900 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 409316571 LNNDHSNFRDWBOB-UHFFFAOYSA-N 433.530 2.630 0 40 IFAB COc1cc(CN(C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCCN(C)C 585273940 UBFXWDOZAJNEHU-DEOSSOPVSA-N 446.567 2.633 0 40 IFAB Cn1cc(CCC(=O)N2CCC[C@]3(CCCCc4ccccc4OCCNC3=O)C2)cn1 643559784 AIXLMRNHZAGJHD-RUZDIDTESA-N 438.572 2.883 0 40 IFAB Cn1cc(C(=O)N2CCC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CO3)c(C(F)(F)F)n1 2037988517 PZWXLEKHTXEXGB-LJQANCHMSA-N 440.397 2.616 0 40 IFAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 806895 YYSYCCNRFGXDIY-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC)c(OC)c3)N2C1=O 2246773 HZXWPYLZVMCYFR-WMZOPIPTSA-N 434.514 2.932 0 40 IFAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 4092007 LUUSGAAGAPNUQO-UHFFFAOYSA-N 437.587 2.903 0 40 IFAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)c4ccncc4)c(=O)n2C3)cc1 4236140 INSOLOYLAYWEEO-QFBILLFUSA-N 444.491 2.764 0 40 IFAB biogenic,in-vitro COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 6577220 TXRCCSOLOJKLNZ-FQEVSTJZSA-N 432.270 2.738 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8816423 HGCKCNTVZSKLCE-INIZCTEOSA-N 445.516 2.992 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 8892782 OCYADSRURSNXSJ-MRXNPFEDSA-N 427.482 2.632 0 40 IFAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2ccc(Br)cc2c1=O 8946041 ZEYYGXDSICIVOS-GFCCVEGCSA-N 426.336 2.566 0 40 IFAB Cc1ccc2[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2c1 9096883 POQBLROSFRWLOW-UHFFFAOYSA-N 446.554 2.623 0 40 IFAB COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1S(N)(=O)=O 9283690 FKQPPDMZQUPMLU-UHFFFAOYSA-N 429.454 2.749 0 40 IFAB CCn1c(CSc2nnc(-c3ccco3)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21 9461564 PTPGJNAWIZHZOE-UHFFFAOYSA-N 446.558 2.987 0 40 IFAB C[C@@H](c1nnc(SCC(=O)N2CCNC2=O)n1-c1ccc(F)cc1)N1CCCCC1 9469445 DCGKGNHQOVJJCX-AWEZNQCLSA-N 432.525 2.597 0 40 IFAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3ccccc3)nc(C(C)C)nc21 9509537 PNYBDPHNNZTBOB-UHFFFAOYSA-N 427.530 2.754 0 40 IFAB COc1ccc(C(=O)COC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c(OC)c1 9634178 CTTVLAXYHAWOEX-UHFFFAOYSA-N 428.466 2.770 0 40 IFAB CON(C)S(=O)(=O)c1cccc(C(=O)Oc2cccc(I)c2)c1 9638228 VZTRBHGHMDLHDK-UHFFFAOYSA-N 447.250 2.692 0 40 IFAB COc1ccc(OC)c(-c2csc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)n2)c1 9729377 NUTTVCSNJZDKTR-UHFFFAOYSA-N 432.502 2.876 0 40 IFAB O=C(CSc1ccc2c(c1)OCCO2)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9883065 MRPHSFHEHHCKCX-MRXNPFEDSA-N 425.572 2.898 0 40 IFAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10551216 ZCLDODSMJGLAPR-UHFFFAOYSA-N 445.903 2.965 0 40 IFAB COC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696098 LBNLGEMKPNZJED-WMLDXEAASA-N 442.541 2.531 0 40 IFAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 12006477 IBMNIIAWVXIZPX-OAHLLOKOSA-N 444.451 2.516 0 40 IFAB COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)c(OC)c1 12285757 AWONMIDZPIBXBM-ZDUSSCGKSA-N 431.470 2.772 0 40 IFAB CCCCn1c(N2CCN(S(=O)(=O)CC)CC2)nc2sc3c(c2c1=O)CCCC3 12321154 GPEXHMJTSNLGIK-UHFFFAOYSA-N 438.619 2.609 0 40 IFAB Cc1cc(C)c2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 12446336 QYBAMLOEXHVEFP-UHFFFAOYSA-N 428.492 2.523 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c1 12551580 DFXHLQJZYLDEQL-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB CCn1c(CCC(=O)NCCc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 12603759 WNUPRMGMJNHUKY-UHFFFAOYSA-N 446.548 2.737 0 40 IFAB COc1ccccc1CNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 13843961 JUBWFNLEOXCVFF-NRFANRHFSA-N 449.551 2.912 0 40 IFAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1OCC 15187636 HJPXVJLEIKROQJ-UHFFFAOYSA-N 429.469 2.771 0 40 IFAB COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c1 15882590 DTTHDJLGSRZOLS-QHCPKHFHSA-N 430.508 2.945 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OC 15949919 IRJPYPAAXLQAKI-UHFFFAOYSA-N 437.949 2.528 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc(=O)n3ccccc3n2)sc2c1CCC2 16048064 OHXMDLZPJDOXTG-NSHDSACASA-N 444.538 2.936 0 40 IFAB COc1cc(OC)cc([C@@H](NS(=O)(=O)c2cccc3nsnc23)c2nccn2C)c1 19099413 WLLBRWXVNQQDAR-QGZVFWFLSA-N 445.526 2.510 0 40 IFAB Cc1ccc(-c2nnc([C@@H]3CCCN3S(=O)(=O)c3ccc4c(c3)OCCO4)o2)cn1 19215128 WJNJIUYRMYMZAQ-INIZCTEOSA-N 428.470 2.737 0 40 IFAB Cc1nc(C)c(C(=O)N(C)Cc2nc([C@H]3CC(=O)N(C(C)C)C3)cc(N(C)C)n2)s1 19697413 KADLEGCNMUSXCM-HNNXBMFYSA-N 430.578 2.612 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930212 LNJFZDTXEZYUKQ-UHFFFAOYSA-N 426.878 2.727 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1OCC 21140115 KMOCAAVBIIFBRJ-MRXNPFEDSA-N 440.496 2.735 0 40 IFAB COc1ccc2c(COC(=O)C3(CC(=O)N4CCOCC4)CCCC3)cc(=O)oc2c1 23026309 PNXAOQQJBLPDOJ-UHFFFAOYSA-N 429.469 2.654 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)cc2C1=O 23131424 XZZHXTIVFCHMRT-HXUWFJFHSA-N 435.480 2.562 0 40 IFAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)Nc1nc2c(s1)CN(C)CC2 23606920 GKVKBGADBRCYKO-OAHLLOKOSA-N 434.587 2.630 0 40 IFAB CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1ccccc1 23700552 NKVZUMGQCPARKU-UHFFFAOYSA-N 435.977 2.695 0 40 IFAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2CN2CCN(c3ccc(F)cc3)CC2)C1 23908271 NTCSWQRHWFXPPV-GOSISDBHSA-N 442.560 2.932 0 40 IFAB COc1ccc(CCN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC 30863696 OWPDKCBMCSJLRW-QGZVFWFLSA-N 440.496 2.529 0 40 IFAB O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1 32761022 WAARQVPQXJBDGC-UHFFFAOYSA-N 449.336 2.839 0 40 IFAB CC(=O)Nc1ccc2c(COC(=O)c3cccc(N4C(=O)CCC4=O)c3)cc(=O)oc2c1 57527903 KLXVAJQTKSLUQC-UHFFFAOYSA-N 434.404 2.762 0 40 IFAB COc1cccc(CNC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1 67225781 HOPJLEKRMLDTRJ-UHFFFAOYSA-N 449.536 2.814 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1cccc(CN2CCSCC2)c1 71846690 ZNNLDEHASYSKCL-BJLQDIEVSA-N 434.631 2.900 0 40 IFAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccccn4)CC3)n2)C1 72335932 UICWYIVSTMBIGH-INIZCTEOSA-N 443.573 2.531 0 40 IFAB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1)C1CCCCC1 72344774 MIKNSHOXMUHYED-SFHVURJKSA-N 443.592 2.923 0 40 IFAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 72346138 UOSONYQJNLBECU-CYBMUJFWSA-N 444.417 2.848 0 40 IFAB CCCc1ncc(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2cc(C)ccc2O3)cn1 72394424 SYDQEGPAQPJCSI-UHFFFAOYSA-N 444.601 2.926 0 40 IFAB COc1cc2[nH]c(=O)c(CNc3ccc(N4CCN(C)CC4)cc3)cc2c(OC)c1OC 72396118 IRNUVDAGWIUQSI-UHFFFAOYSA-N 438.528 2.918 0 40 IFAB O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 96122145 HJCWXIMZVVPLIK-UHFFFAOYSA-N 443.852 2.940 0 40 IFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCCCO)cc32)n1 96156529 OEULJJZFWQXTKH-HXUWFJFHSA-N 433.512 2.764 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)cc5)no4)[C@@H]3C2=O)cc1OC 101272278 YHPPSWAMTMFCJY-OALUTQOASA-N 448.439 2.556 0 40 IFAB O=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccccc1 108076257 ROVOQRFJHVRDBA-WOJBJXKFSA-N 430.526 2.561 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c(C)c1 220093137 NREFZHBUYHNFGU-UHFFFAOYSA-N 426.441 2.855 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCc3ccccc3C2)cc1 224710469 SLLTUSSKRQTOOV-UHFFFAOYSA-N 447.626 2.594 0 40 IFAB COC(=O)c1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1C 225002871 DVZIWJCRFXXIEW-UHFFFAOYSA-N 446.510 2.995 0 40 IFAB Cc1ccc(CN(CC(=O)NCCCN2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 225164017 MGCGTTFFBRGAIF-IBGZPJMESA-N 429.586 2.714 0 40 IFAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NS(C)(=O)=O)cc1 225401264 FLYJKAPBFYZXTL-MOPGFXCFSA-N 427.555 2.969 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225790196 OCBYHGMPDBCZOD-UHFFFAOYSA-N 435.521 2.612 0 40 IFAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccnc1Oc1ccc(C)nc1 257258300 KTGCNHGMANCBAE-QFIPXVFZSA-N 445.523 2.650 0 40 IFAB COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)CO2 257264257 LTPZJOKDCITNOI-HSZRJFAPSA-N 431.496 2.979 0 40 IFAB O=S1(=O)c2cccnc2OCC2(CCN(C3CCC3)CC2)CN1Cc1cccnc1 306128546 HDNBOHVWKQNMNN-UHFFFAOYSA-N 428.558 2.695 0 40 IFAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408636115 SUZSOENDJWXMOQ-KRWDZBQOSA-N 432.542 2.666 0 40 IFAB COCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409002129 MGKGGNQEWGBZFQ-NRFANRHFSA-N 442.512 2.958 0 40 IFAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4cccc([C@@]5(C)NC(=O)NC5=O)c4)C3)[nH]c2c1 532650487 OOXCBNDNESSIEL-UPCLLVRISA-N 431.496 2.946 0 40 IFAB CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)c1cccc(C(F)(F)F)c1 561425599 LOLNXPGELUZVLR-PKOBYXMFSA-N 440.510 2.557 0 40 IFAB COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(OC)ccc3F)C[C@H]12 585109785 UIFSWMLZQWFFLA-AWRGLXIESA-N 428.504 2.884 0 40 IFAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cncs3)CCO2)C1=O 643556964 RUEISGNWVXYIKX-QFIPXVFZSA-N 429.542 2.618 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3coc(C)n3)CCO2)C1=O 643557656 VJMPYFXPOCCBOO-XMMPIXPASA-N 441.528 2.848 0 40 IFAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc2c(=O)[nH]c(-c3ccsc3)cn2n1 675008316 QSAFAZVAVCYIRY-UHFFFAOYSA-N 433.493 2.808 0 40 IFAB COC(=O)[C@H](NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)c1cccc(C(F)(F)F)c1 1583819572 NTCDYBDCOBECCH-FGTMMUONSA-N 438.450 2.505 0 40 IFAB C[C@@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)Cc2ccccc21 1675890325 AUBODBKAZIISMY-GOSISDBHSA-N 443.569 2.678 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2F)CC1 702914 PTGCCLZAJWWHRK-UHFFFAOYSA-N 431.533 2.963 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 1363356 RDWYDDJRSNTVCH-OAHLLOKOSA-N 432.498 2.506 0 40 IFAB COc1cc([C@H]2c3cc4c(c(OC)c3C[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 1531933 BFKORKXLSJUYSS-NXXSPTCGSA-N 428.437 2.927 0 40 IFAB CNC(=O)c1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 8767430 FSKTYCXUUCNWRI-UHFFFAOYSA-N 435.450 2.611 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)c1ccccc1 9303568 HRIUFRFTCFQMRZ-HOCLYGCPSA-N 430.555 2.969 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)c1 9440506 RIDLKHBCKBICDX-UHFFFAOYSA-N 437.351 2.657 0 40 IFAB C[C@H]1CCCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1 9662271 UJQFPTNBMXTAES-KRWDZBQOSA-N 442.537 2.853 0 40 IFAB Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cn12 9672251 KMQVHJLQZNYPSF-HZPDHXFCSA-N 428.514 2.693 0 40 IFAB COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)Nc1nc2ccccc2[nH]1 9749519 DMEGTYQIVOLBLL-OAHLLOKOSA-N 434.543 2.610 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 9955834 RUGAZAJAZXKDKO-MRXNPFEDSA-N 442.541 2.758 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 10022919 TWEPDOUGUAVDIC-VXGBXAGGSA-N 436.559 2.532 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 10059995 VBTGZWHKGKCUEM-LLVKDONJSA-N 428.894 2.671 0 40 IFAB COc1ccc(CSCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 10287756 MGOYRKJJELUQMC-UHFFFAOYSA-N 434.583 2.770 0 40 IFAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)n1 10776991 ZICZEWPTLOGPRO-GFCCVEGCSA-N 429.545 2.563 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1F 11375683 MUODTSRFRQKODY-NVXWUHKLSA-N 449.552 2.861 0 40 IFAB CC(=O)N1CCc2cc(NC(=O)CNc3ccccc3C(=O)NCC(F)(F)F)ccc21 11702516 RFFOYQJGXUPZSN-UHFFFAOYSA-N 434.418 2.938 0 40 IFAB CCc1c(C)noc1-c1cnc(N2CCN(c3ncccn3)CC2)nc1-c1cnc(C)cn1 12156336 OBAIUVJXMHNDME-UHFFFAOYSA-N 443.515 2.884 0 40 IFAB CC[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 14255098 OXWMTMXPMNSDSY-QGZVFWFLSA-N 432.542 2.640 0 40 IFAB Cc1nc(NC(=S)NC(=O)COc2ccccc2)ccc1I 16249911 ZVDPFPBYRSHAFJ-UHFFFAOYSA-N 427.267 2.887 0 40 IFAB C[C@H](O)CN(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(C)C[C@H](C)O)cc2)cc1 16576382 GFZJTJBFMKYCJZ-IRXDYDNUSA-N 428.533 2.966 0 40 IFAB CC(C)CCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 19446988 MZHBHZNZXIRSHI-HXUWFJFHSA-N 426.496 2.999 0 40 IFAB COc1ccccc1C(=O)N1CCC(c2n[nH]cc2C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 19497321 ZVKNRSZLMAGJLF-HZPDHXFCSA-N 426.517 2.688 0 40 IFAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)CN1CCCC[C@@H]1C)C2 19701078 BHWIDXPIKYQXEF-INIZCTEOSA-N 437.544 2.684 0 40 IFAB CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCN2C(=O)COc2ccccc2)C1 19707225 UITBKUKMKSGSHY-QGZVFWFLSA-N 427.505 2.771 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063951 PUGDHLVZUMIVBJ-UHFFFAOYSA-N 446.481 2.640 0 40 IFAB CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(C(C)=O)cc4)c(=O)c23)CO1 20100277 MOSZJAVPHSWNFL-NRFANRHFSA-N 426.498 2.936 0 40 IFAB COc1ccc(CCC(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)cc1 23139264 OCLGIHCBQJUXRY-KRWDZBQOSA-N 444.557 2.505 0 40 IFAB Cc1cc(C)nc(SCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 24286317 LMUCKQLQCVTUTM-UHFFFAOYSA-N 428.514 2.792 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1)OCc1ccccc1 30808064 OTTYCURYFSYNNC-JOCHJYFZSA-N 445.523 2.663 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC[C@@H](C)c1ccccc1 31084290 JRVCQVIDQHRILS-GOSISDBHSA-N 429.586 3.000 0 40 IFAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(N2CCCC2)nc1 31313355 HEAPWVYQWLUCIU-UHFFFAOYSA-N 431.334 2.881 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 32768992 YBLAQRMVQWTURI-UHFFFAOYSA-N 446.429 2.825 0 40 IFAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O 32947205 RCZKUKOBUCVMPP-VXGBXAGGSA-N 442.379 2.793 0 40 IFAB C[C@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 34856283 BQHWGUKQMARFEC-TVNWYLLRSA-N 425.554 2.583 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 35500470 SGPBCIGRHFJEAP-UHFFFAOYSA-N 449.576 2.899 0 40 IFAB CCOc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)n1 38486675 TZGBTVHLFQZDLN-UHFFFAOYSA-N 447.430 2.672 0 40 IFAB CN(CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)S(=O)(=O)c1cccs1 39969265 XCTQIYQEULTMKM-KRWDZBQOSA-N 442.006 2.975 0 40 IFAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC 44900881 RBXRAAQRWPLKDE-AWEZNQCLSA-N 434.514 2.879 0 40 IFAB O=c1cc(-c2ccc(F)cc2)ncn1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 70637565 GKSORRDJLOFVNI-UHFFFAOYSA-N 427.501 2.907 0 40 IFAB CCN1C[C@H](CN(C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)Oc2ccccc21 89977169 QSGVEDDHVXAIEO-PMACEKPBSA-N 428.529 2.857 0 40 IFAB C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 95430480 NCSHHLFIFHJFRV-GHTZIAJQSA-N 430.593 2.952 0 40 IFAB C[C@H]1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 95455455 GKVKUHAUDZPPEK-KBPBESRZSA-N 434.480 2.742 0 40 IFAB COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)N=C2O)cc1 95476660 GDASMEXQOGZEFV-HXUWFJFHSA-N 434.452 2.906 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)c2c1 96222094 WCVRVQMWNNQTQY-NRFANRHFSA-N 434.496 2.736 0 40 IFAB biogenic C[C@@H]1Oc2ccccc2N(CC(=O)N2[C@H]3CC[C@H]2CC2(C3)NC(=O)c3ccccc3N2)C1=O 100208352 DDVGSGUDKHVLAD-ULQDDVLXSA-N 446.507 2.506 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 139080646 ZWZKUQZFDDFREV-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB COc1ccccc1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 222544328 XKEMMKGXJGGGAP-UHFFFAOYSA-N 432.527 2.710 0 40 IFAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-n1cnnc1 223452613 UPWACDSGNYCXBX-SFTDATJTSA-N 430.541 2.971 0 40 IFAB Cc1ccccc1-c1noc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)n1 223564818 HOEAIYZPRNWUFA-UHFFFAOYSA-N 448.932 2.776 0 40 IFAB COc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223897828 BINNFQHFZDZCCL-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225080917 GUCGEPKACJSNKG-OAQYLSRUSA-N 445.585 2.786 0 40 IFAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225082807 CNCHQKCJJHZZLP-UHFFFAOYSA-N 429.498 2.671 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 225476936 HZDUAZWIICXZRB-HNNXBMFYSA-N 431.514 2.615 0 40 IFAB CN(c1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1)S(C)(=O)=O 225649087 MQSCAWQXJWKFDZ-UHFFFAOYSA-N 446.598 2.691 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1cccc(OC)c1 225774139 UBBKYCGBPILQEA-NRFANRHFSA-N 434.558 2.997 0 40 IFAB COC(=O)[C@@H]1C(=O)Oc2c(Br)cc(Br)cc2[C@@H]1[C@H]1CCOC1=O 250436949 XOPIUKPSKNRAHB-PPKCKEKNSA-N 448.063 2.567 0 40 IFAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)Cn3nc(C)ccc3=O)CC2)nc2ccccc12 257231201 GFTGEEWNUBJKRB-IYARVYRRSA-N 447.539 2.550 0 40 IFAB CC(C)n1nccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257238689 HMBPJMSNSVITBX-GZGNHOFSSA-N 440.588 2.768 0 40 IFAB COc1ccc(CN2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 306124488 BRCVXAOOMNLZAV-SQJMNOBHSA-N 435.572 2.730 0 40 IFAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 409214595 WHJQWJYGGGJIDY-YVLHZVERSA-N 444.465 2.574 0 40 IFAB Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3cccc(F)c3)CC2)C1 585287309 MKHVNIOJHHZRLM-RUZDIDTESA-N 444.547 2.608 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(C(=O)c1cccnc1)CC2 1549166345 CYMBMYOBXYHECV-QFIPXVFZSA-N 446.551 2.937 0 40 IFAB COC(=O)c1cccc(N2C(=O)C(Cl)=C(N3CCN(c4ccccc4)CC3)C2=O)c1 938519 WDVGSFWQJUCFOU-UHFFFAOYSA-N 425.872 2.619 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1ccc(Cl)cc1 2225515 UJHXXLFVTXHFBH-DOTOQJQBSA-N 430.888 2.857 0 40 IFAB O=C1[C@@H]2C3C=CC([C@H]2C(=O)N1c1ccccc1F)[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@H]31 4018782 ZAOKSCPLTUYESP-UYSFSSGGSA-N 434.398 2.692 0 40 IFAB CCOCCCNC(=S)N(CCCN(C)C)Cc1cc2ccc(OC)cc2[nH]c1=O 6195247 RXJKCPUZAAMBQA-UHFFFAOYSA-N 434.606 2.592 0 40 IFAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc2c(c1)OCCCO2 9379070 GKCVBODQSPTJFT-UHFFFAOYSA-N 431.514 2.683 0 40 IFAB COc1ccc(-n2nnnc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1 9612595 FQHQKDRGJAINKU-UHFFFAOYSA-N 445.302 2.734 0 40 IFAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(Cc2csc(C)n2)o1 9633837 UIVZROWFHROFDN-UHFFFAOYSA-N 440.528 2.935 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1 9852966 BZMJJTDTTRMIDI-UHFFFAOYSA-N 445.472 2.817 0 40 IFAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)CCNC(=O)CCC(=O)c2cccs2)c1 9905818 YTJAJGGWCWKGNU-UHFFFAOYSA-N 442.541 2.555 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9984252 ZWWWDMFDSKQQPB-JLHYYAGUSA-N 428.510 2.744 0 40 IFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CCCCCC1)S(C)(=O)=O 10111264 UCHTZUNDPVBAMX-INIZCTEOSA-N 446.013 2.885 0 40 IFAB COc1ccc(CC(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC 10252132 DBFLSIPJLNVOCI-UHFFFAOYSA-N 433.468 2.529 0 40 IFAB Cc1cc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)ccc1F 10552494 PIZVRJMKVNYQKR-UHFFFAOYSA-N 429.311 2.881 0 40 IFAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cc2ccc(Cl)cc2)c1=O 12072167 GHYQYOLPJGTHGF-UHFFFAOYSA-N 435.915 2.962 0 40 IFAB O=C(NCCCn1cnc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12489698 VEQOXHULZPKKCH-UHFFFAOYSA-N 444.532 2.783 0 40 IFAB CC(=O)N[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 12808657 PUMSLMYPEBKLQG-UGHKADQRSA-N 430.313 2.671 0 40 IFAB Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)o1 13163956 SYGGWHNEDQRZAW-AWEZNQCLSA-N 425.532 2.688 0 40 IFAB CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 15339529 UUHOIGDAIYBEHM-UHFFFAOYSA-N 435.512 2.564 0 40 IFAB COC(=O)c1c(CN2CCN(S(=O)(=O)c3cccs3)CC2)nc2ccccc2c1C 15406902 QAVXZJKBDUWMNR-UHFFFAOYSA-N 445.566 2.898 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCO)Cc2c(Cl)cccc2Cl)cc1 17097390 JPLZTRHOXUQPKS-UHFFFAOYSA-N 431.341 2.601 0 40 IFAB NC(=O)c1ccsc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 17170249 XIGVENMIBLXLNU-SNVBAGLBSA-N 433.964 2.744 0 40 IFAB CSCC[C@@H](C(=O)N(C)CC(=O)Nc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 18006925 MKDZEYCQQYGHCS-SFHVURJKSA-N 443.500 2.641 0 40 IFAB C[C@@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)NCc1ccc(Cl)cc1 18591407 SNDQNDAPQKLSKU-CQSZACIVSA-N 428.872 2.851 0 40 IFAB CN(C)c1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19587765 ULLRGPLSFQEWMZ-DENIHFKCSA-N 440.567 2.853 0 40 IFAB CNc1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19592377 RWMPBYOBDQZTDK-WIYYLYMNSA-N 426.540 2.828 0 40 IFAB COCCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(C(=O)C3=CCCC3)CC2)C1=O 20998872 XNEVZNHKCVNHMD-DEOSSOPVSA-N 443.519 2.654 0 40 IFAB CCc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 22526525 LBSBNOXGXJBZOF-UHFFFAOYSA-N 426.542 2.826 0 40 IFAB COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 22535114 CHDYCOOOXXJBLD-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 23721825 HFEBWQUZAONHQX-KRWDZBQOSA-N 437.587 2.607 0 40 IFAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cccc(Br)c1 23805508 NCIFHZKIOCUJFW-UHFFFAOYSA-N 425.348 2.760 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCCc3cccc(Cl)c3)n2N)c(OC)c1 24173984 SGIGCGJQRVJFEP-UHFFFAOYSA-N 447.948 2.781 0 40 IFAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cnc2c(cnn2C(C)C)c1 25892716 WKZZPXYSHBLWME-UHFFFAOYSA-N 429.502 2.714 0 40 IFAB Nn1c(SCC(=O)Nc2ccccc2Cl)nnc(Cc2ccc(Cl)cc2)c1=O 27546257 YUXLLORCBKFRID-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)cc1 27663116 HXLAWEZUFXMZIE-AWEZNQCLSA-N 448.566 2.805 0 40 IFAB O=C(CN1CCN(C(=O)Cc2cccs2)CC1)Nc1ccc(OC(F)(F)F)cc1 32523927 PDAAJDOTCXTRBT-UHFFFAOYSA-N 427.448 2.972 0 40 IFAB COC(=O)c1c(CC(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)[nH]c(C(C)=O)c1C 32776487 NPUHROPIDMXLLJ-IUODEOHRSA-N 426.469 2.764 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2c(Sc3ccccc3)nccn2c1=O 35528149 ONXSFTONEUAFPS-UHFFFAOYSA-N 449.492 2.858 0 40 IFAB O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1C[C@H](O)c1ccccc1 40034344 ZQAIGZSIAVRORW-NRFANRHFSA-N 442.475 2.783 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(Cl)cc1F 40478086 BRSDIOCDPLUPLZ-UHFFFAOYSA-N 448.792 2.746 0 40 IFAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 48278497 FBXCHCJUIWKNNF-FXAWDEMLSA-N 443.548 2.853 0 40 IFAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCC(C)CC3)c2=O)c1 57426816 KPRIQSHVIBEDAF-UHFFFAOYSA-N 427.526 2.540 0 40 IFAB COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63389527 KFAIVIJYKNHWBC-VXKWHMMOSA-N 428.554 2.833 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCN(CC)CC3)sc2c1=O 67225920 BUQWBSCJSHCYLA-UHFFFAOYSA-N 440.573 2.504 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N2CCC3(CC2)OCCO3)cc1 67245543 FGFJKXILOZOENK-UHFFFAOYSA-N 436.555 2.861 0 40 IFAB Cc1cc(NC(=O)CSc2nc(O)c3c(n2)CCN(Cc2ccc(F)cc2)C3)no1 67291488 SLSBHNSQYRMVFK-UHFFFAOYSA-N 429.477 2.907 0 40 IFAB Cc1c(Cl)cccc1NC(=O)c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)c1C 71327477 AMRCDNVPUYJPLY-UHFFFAOYSA-N 441.875 2.846 0 40 IFAB COCCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 72371937 TXWZWYHCYGEMQI-SFHVURJKSA-N 440.519 2.798 0 40 IFAB COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)c1OC 77200436 FQMJMCPSNXITGW-GOSISDBHSA-N 437.500 2.990 0 40 IFAB O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 84535865 ALVCIIDTNGGTRL-PKOBYXMFSA-N 426.542 2.730 0 40 IFAB CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)NCCc3cn4c(n3)CCCC4)o2)cc1 95946522 DWHYHNFUVJAVPM-UHFFFAOYSA-N 442.541 2.569 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)OCCC(F)(F)F)CC2)cc1OC 95946664 KVDHZUHSYHAYAA-UHFFFAOYSA-N 425.425 2.600 0 40 IFAB CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCOc3ccc(C)cc32)s1 95995694 ACLXBEOHMUFDDW-UHFFFAOYSA-N 444.600 2.516 0 40 IFAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5ccco5)CC4)c3CO2)cc1 97943732 MGBDWJVSADOKNY-OAQYLSRUSA-N 449.511 2.620 0 40 IFAB Cc1cccc(-c2noc(CNC(=O)CCCN(c3ccccc3)S(C)(=O)=O)n2)c1 219176013 DNMJULKQRMGENK-UHFFFAOYSA-N 428.514 2.908 0 40 IFAB CCOc1ccc(CCCNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220096616 LIOPMUVEEPJRIG-UHFFFAOYSA-N 426.485 2.879 0 40 IFAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(OC)c(C)c1 224379499 SXJJDBNLOSXNLF-KRWDZBQOSA-N 434.514 2.766 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 225912638 DCLYAPCRMTYTPT-UHFFFAOYSA-N 439.541 2.854 0 40 IFAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 245229790 FRNWPTRXNLTCSJ-XWQURZDVSA-N 426.469 2.840 0 40 IFAB CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 247958586 PKKFGCGJYIEICA-UCJRLWHZSA-N 427.545 2.550 0 40 IFAB COc1ccc(OC)c(C(=O)N2CC[C@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)c1 257203624 AQXGACYEECHUCY-INIZCTEOSA-N 438.528 2.561 0 40 IFAB O=C(Cc1ccco1)N1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306123240 AIFNBQYLESVCRG-DHLKQENFSA-N 449.482 2.780 0 40 IFAB CCCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)n(CC)c2ccccc21 585079583 JFSZLTLHWGMCIN-DQRAZIAOSA-N 430.530 2.796 0 40 IFAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@@H](Cc2ccccc2-c2cccc(C)c2)C1=O 585169054 XPVKATKVJXDIHB-QHCPKHFHSA-N 444.535 2.521 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(Cc1cncn1C)CC2 1549168304 USCTWZIXTNGRNM-QFIPXVFZSA-N 435.572 2.635 0 40 IFAB O=C1C[C@H]2[C@H](CCN2Cc2ncc(C(F)(F)F)[nH]2)N1Cc1ccc(-n2cccn2)cc1 1565551453 FLEKWSUDGLWRHU-IRXDYDNUSA-N 430.434 2.990 0 40 IFAB CC1(C)O[C@@](C)([C@H]2CC3(CCN(C(=O)[C@@H](N)Cc4ccccc4)CC3)CO2)CC[C@@H]1O 2037843403 CIEQBKITXVDZAF-VMIIQTFKSA-N 430.589 2.663 0 40 IFAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)c1 1505112 QSRZKQCXTVOYRS-UHFFFAOYSA-N 444.469 2.556 0 40 IFAB O=C(COC(=O)CCc1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCCO2 2625234 RHPZBIUGQMGXDA-UHFFFAOYSA-N 441.465 2.892 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1 3380627 JQPNIPDVOQZZBX-UHFFFAOYSA-N 432.498 2.827 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc(C)c1C 8705853 VTHKOEIIOUXIMO-OAQYLSRUSA-N 445.585 2.787 0 40 IFAB Nn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F 9048721 PQWQAUGYNOBLPH-UHFFFAOYSA-N 444.536 2.685 0 40 IFAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)cc1 9124497 AQKVMEDODBONBJ-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB CCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288703 RBQOKRHOIGYNKU-OAHLLOKOSA-N 433.505 2.896 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1c(O)nc(S)n(CCc3ccccc3)c1=O)NCC2 9411236 DSFZVMOXKJWCJU-FQEVSTJZSA-N 439.537 2.733 0 40 IFAB biogenic COc1ccc(-c2csc(NC(=O)COC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 9442494 ABWNXQAYJZVPHF-MGPUTAFESA-N 447.538 2.754 0 40 IFAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 9714614 HLCUEODNRSEJLL-GOSISDBHSA-N 449.555 2.924 0 40 IFAB CCCCn1c(=O)c2c(nc3n(-c4ccc(C(=O)OCC)cc4)c(C)c(C)n23)n(C)c1=O 9829516 KRQKKFWVRCMJPZ-UHFFFAOYSA-N 437.500 2.732 0 40 IFAB O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 9883032 RBNQGOXKPAVFFE-UHFFFAOYSA-N 431.297 2.844 0 40 IFAB COCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 10299713 KJRKRLZMJKESMF-UHFFFAOYSA-N 440.949 2.923 0 40 IFAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c32)cc1C 12228793 UDGNDEVCRDKELV-UHFFFAOYSA-N 445.479 2.917 0 40 IFAB CCc1nc2sc([C@@H](c3ccco3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1 12341912 VPSVVTYOTIDBHW-MRXNPFEDSA-N 427.486 2.792 0 40 IFAB Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NC2CCCCC2)c1 12705175 VDSVEBDVCOXHOL-CQSZACIVSA-N 443.573 2.925 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)c1 12753782 PZCFZNBECZWXJA-JOCHJYFZSA-N 426.538 2.842 0 40 IFAB COCCCN(Cc1ccc(OC(F)(F)F)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12869045 MIXGCDPFKBBTDJ-UHFFFAOYSA-N 444.454 2.717 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(Br)c1 13021934 UKSUUIRIAMZITE-INIZCTEOSA-N 440.363 2.894 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1 15042727 MBEWJRKPODLTOB-CQSZACIVSA-N 430.482 2.758 0 40 IFAB COc1cccc2c1OC[C@H](C(=O)N[C@@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)C2 19445567 OLYYDILLHPHVSE-IIBYNOLFSA-N 434.496 2.905 0 40 IFAB CNc1cc(C2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)nc(CN(C)C(C)=O)n1 19710106 BFAVYAXEQIWURK-HNNXBMFYSA-N 437.544 2.840 0 40 IFAB Cc1noc(CCC(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)n1 19739008 DSGGTOGEWGCACT-QGZVFWFLSA-N 440.548 2.750 0 40 IFAB COc1cc(NC(=O)CS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1OC 19823137 NTIOFUHWIYFUNC-UHFFFAOYSA-N 444.303 2.887 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1OC 22338645 DALKZFLRVVDXKG-UHFFFAOYSA-N 434.558 2.836 0 40 IFAB O=S(=O)(c1cccs1)N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 25480643 ZGRQDZYMXGUTTC-QUCCMNQESA-N 436.599 2.510 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(COc2ccc(C(C)(C)C)cc2)n1N 26460790 YJDXVJRQAFBSMC-UHFFFAOYSA-N 443.577 2.950 0 40 IFAB Cc1csc(=O)n1CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 30063345 ZMZMSDMEMXHYLN-UHFFFAOYSA-N 449.598 2.762 0 40 IFAB CN(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)cn1 30117660 BFURNGLUSZZQDC-UHFFFAOYSA-N 439.335 2.603 0 40 IFAB COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(C)c(F)c5)c(=O)n4ccn3n2)cc1 38487558 NGXCKQKYTMLNJW-UHFFFAOYSA-N 446.442 2.906 0 40 IFAB C[C@@H](C(=O)NCCn1nc(-c2cccs2)ccc1=O)n1nc(-c2ccccc2)ccc1=O 42380997 ZFTZULRBAPZJGU-INIZCTEOSA-N 447.520 2.573 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@H]3C2=O)cc1C 49002734 YWTYAKGXNIBBRR-RBUKOAKNSA-N 446.423 2.576 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)c1 57426634 OXRPHHHZEMRSHB-UHFFFAOYSA-N 431.514 2.927 0 40 IFAB COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1O 57531390 COGWKIMLRNQVSL-WWGRRREGSA-N 432.445 2.731 0 40 IFAB Cc1nn(C)c2ncc(NC(=O)N3CCN([C@H](C)C(=O)Nc4cccc(F)c4)CC3)cc12 58024692 ASOKDIUDIZEYFA-OAHLLOKOSA-N 439.495 2.593 0 40 IFAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 58179777 OALHBQGAUFVEEV-UHFFFAOYSA-N 442.516 2.523 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 64965748 SFWFPGXCZPPKAA-UHFFFAOYSA-N 439.537 2.606 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1 67197162 URVJSWJOOOOZJV-UHFFFAOYSA-N 447.447 2.620 0 40 IFAB C[C@@H]1CN(Cc2cccc(CNC(=O)CCN3C(=O)[C@@H](C)Oc4ccccc43)c2)CCO1 72273226 YCQBONVKNRSCMH-RTBURBONSA-N 437.540 2.728 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NC[C@H]1CCCO1 80332151 UMNGYEDDZXPBOI-UKRRQHHQSA-N 429.348 2.509 0 40 IFAB COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 89552943 MPNDMXZRNOTEOE-HOCLYGCPSA-N 439.468 2.577 0 40 IFAB COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 95462023 UXBCDFOHCFWTSB-SVMVAKDDSA-N 434.558 2.585 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc4c(c3)N(C(=O)c3ccco3)CC4)cc21 96025678 AIJLLHDKZZDELL-UHFFFAOYSA-N 439.449 2.728 0 40 IFAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 96231883 HNRAYRVZJVEHJA-IBGZPJMESA-N 441.915 2.661 0 40 IFAB COc1cc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)ccc1OC(F)F 100737892 CVWQWXNHGYZVFV-IRXDYDNUSA-N 435.471 2.720 0 40 IFAB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)OCC)CC3)C2=O)cc1 102242173 RBIKYVHKKVUQHQ-IBGZPJMESA-N 430.501 2.551 0 40 IFAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)N1CCN(C(=O)c4ccccc4F)CC1)(C3)C2 103201118 ZCZDEUCYEYKFBO-JSODFGIGSA-N 427.520 2.585 0 40 IFAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)(C3)C2 105004298 HHDWKJSKTPSSDK-WZGNDQMWSA-N 433.574 2.787 0 40 IFAB O=C(CN1C(=O)S/C(=C/c2cccc(I)c2)C1=O)N1CCCC1 107822730 XXZITECVDXQPEI-UKTHLTGXSA-N 442.278 2.950 0 40 IFAB CN1CCC(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 110417044 MTVJKZLRVOFCTM-UHFFFAOYSA-N 427.998 2.589 0 40 IFAB CCOc1cccc(N(CC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 219144930 CUHHBQXNXIXTTQ-UHFFFAOYSA-N 445.585 2.810 0 40 IFAB CCOC(=O)c1cc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)ccc1Cl 219669700 NABPBIPAOVYKLQ-UHFFFAOYSA-N 436.873 2.690 0 40 IFAB COCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222883434 KPDGSIGLTPQVNJ-INIZCTEOSA-N 432.492 2.565 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 223875794 QHQDIRJCUPKZTJ-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 408556495 IZUYLXLZVJNNFY-UHFFFAOYSA-N 449.548 2.632 0 40 IFAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/c2c(C)nn(C)c2C)n1 585292927 UJQAPNVGQCYLPL-CSHXORCISA-N 432.532 3.354 0 40 IFAB O=C(Cc1ccc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1)Nc1ccccc1F 596979934 XLCAXDDFSYQSFW-UHFFFAOYSA-N 438.459 2.714 0 40 IFAB COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)cc1OC 804387 IJNXUVHSHMCSJV-FQEVSTJZSA-N 444.553 2.832 0 40 IFAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)Nc1cccc(C(F)(F)F)c1 878403 BDEBTUIMJLWTOL-UHFFFAOYSA-N 432.406 2.834 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O 1330654 BTOJKHMRDYNUDB-UHFFFAOYSA-N 431.452 2.624 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nnc3ccccn23)sc(C(=O)OC)c1C 1746531 VKYXRRAERBBNMI-UHFFFAOYSA-N 434.499 2.793 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1ccccc1Cl 2218007 KADHZCPRMDDKGI-DYVFJYSZSA-N 430.888 2.857 0 40 IFAB O=S(=O)(c1cccc(-c2nnc(S)n2-c2ccccc2Cl)c1)N1CCOCC1 6189984 RGLMKLBMTCWNDX-UHFFFAOYSA-N 436.946 2.897 0 40 IFAB C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 8718993 VFVOQBFMZGEQHD-AWEZNQCLSA-N 428.493 2.757 0 40 IFAB CCOC(=O)N1CCN(C(=O)COC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)CC1 8776745 OGTKFPDHYKYMAW-BQYQJAHWSA-N 443.500 2.603 0 40 IFAB Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n(-c2ccccc2)n1 9465560 QRPKPPFYSUMPGJ-UHFFFAOYSA-N 449.435 2.973 0 40 IFAB O=C(c1cnn(Cc2ccccc2)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10029137 UKDISZAIBMGUOK-UHFFFAOYSA-N 442.516 2.607 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(OC)c4)ncn3n2)cc1 11666436 WRJBWQSHKOUHOY-UHFFFAOYSA-N 449.467 2.613 0 40 IFAB COc1cc(NC(=O)NCCNc2ccc(Nc3ccncc3)nn2)cc(OC)c1OC 11697847 JMLKFYQLWNUGSV-UHFFFAOYSA-N 439.476 2.875 0 40 IFAB COc1cc(CC(=O)N2CCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)cc(OC)c1OC 12154022 IYZDXXFGKNPORS-KRWDZBQOSA-N 440.500 2.984 0 40 IFAB COc1ccc([C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2c2cc(O)nc(C)n2)cc1OC 12163569 IZBOJAQHMHZIJP-ZWKOTPCHSA-N 427.501 2.644 0 40 IFAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)Cn3ncc4ccccc4c3=O)C1)O2 12237050 HXOALEUUPMJLFI-WZONZLPQSA-N 431.492 2.978 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 12577258 COVUBVAKCOXXAG-LJQANCHMSA-N 427.570 2.669 0 40 IFAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12628246 NLOSVPJPGPBNGW-CQSZACIVSA-N 442.497 2.531 0 40 IFAB CCCc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1CC(=O)O 12820775 NJCSHSRAUKGRBB-HNNXBMFYSA-N 446.529 2.542 0 40 IFAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 12906359 JHEKICANSJBSBH-GASCZTMLSA-N 431.514 2.695 0 40 IFAB Cc1ccc(OCCNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1 13012865 SUMOSKKTBPQCHO-UHFFFAOYSA-N 441.347 2.621 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3cccs3)CC2)cc1 13037921 RMCYMCVLRLMSHS-KRWDZBQOSA-N 435.615 2.884 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 13040545 BYNGMLQIRMPILJ-UHFFFAOYSA-N 441.431 2.779 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13056455 UKJJASCVMDWAIL-YJBOKZPZSA-N 447.523 2.707 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 13282811 AJWFRQVMEXGNTC-JAORQVBISA-N 433.533 2.927 0 40 IFAB CCn1c(=O)c(C(=O)CN2CCC[C@@H]2c2cccs2)c(N)n(Cc2ccccc2)c1=O 14240911 HRLSOFHTHVEXSR-QGZVFWFLSA-N 438.553 2.742 0 40 IFAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 14244178 UDMDFYGBPUTXQD-INIZCTEOSA-N 439.537 2.776 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)sc2c1 14462627 GJVRCSRXZGUPOV-AWEZNQCLSA-N 429.523 2.687 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1OC 15470114 DCFRMWMLSMFAJU-LJQANCHMSA-N 437.496 2.686 0 40 IFAB COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)c1 15952795 PZWLHOJVJVWZBZ-QGZVFWFLSA-N 427.478 2.631 0 40 IFAB Cc1cc(CSc2ncccc2C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)no1 16694730 WRTHSXGKINNUCK-UHFFFAOYSA-N 449.510 2.554 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3nccn3C)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19696404 CSYNPZRQSOAHTE-QGZVFWFLSA-N 448.502 2.767 0 40 IFAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)[C@@H](C)c3ccccc3)CC1)C2=O 19700680 RGJBLHREFHACBI-IBGZPJMESA-N 440.588 2.825 0 40 IFAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(S(=O)(=O)c3cn(C)cn3)CC[C@]21C 19713430 RRINSTVPOCYMNZ-DENIHFKCSA-N 430.574 2.853 0 40 IFAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 22509763 LZBPBGRWQACLFQ-GOSISDBHSA-N 444.582 2.959 0 40 IFAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 22865416 CTUZHOHERIGOAQ-SFHVURJKSA-N 435.571 2.926 0 40 IFAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@H](c2cccs2)N(C)C)C(C)C)c1 27676158 FUTDVGCLRMYCNB-QUCCMNQESA-N 433.574 2.939 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 30011609 CWJHTLODTPXIFP-UHFFFAOYSA-N 442.541 2.940 0 40 IFAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)c1 32768798 VOKSGOYUDKBWSP-IBGZPJMESA-N 433.530 2.794 0 40 IFAB COCCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 33481758 GKNUGKHCVKPTPG-AWEZNQCLSA-N 426.922 2.521 0 40 IFAB CCCOc1ccccc1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 44851651 RPPOBGAZJBTSKF-NRFANRHFSA-N 432.542 2.751 0 40 IFAB Cc1cccc(-c2noc(CS(=O)(=O)[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)c1 48235404 RMVSZITWYVHCSB-AWEZNQCLSA-N 443.481 2.758 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3cn(-c4cc(N5CCCCC5)ncn4)cn3)CC2)c1 49411177 UJELXVJYUGWJBC-UHFFFAOYSA-N 431.544 2.923 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cc(-c2ccccc2)on1 58225942 KADAIMRMDOWZDT-UHFFFAOYSA-N 442.422 2.837 0 40 IFAB COc1ccc(CNC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)cc1 67235611 KSMBEBIPGVAWEI-UHFFFAOYSA-N 432.480 2.736 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC1)O2 72328014 HYQQCECCFQQJBM-WKGYELDXSA-N 441.572 2.762 0 40 IFAB CCN(CC)Cc1cc(C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)co1 72338857 IIOUASBBCYJSRT-NRFANRHFSA-N 446.573 2.704 0 40 IFAB COC(=O)c1cc(S(=O)(=O)N(C)CCOc2ccccc2C)c(Br)o1 84247612 DOUFVVCLSZYQNB-UHFFFAOYSA-N 432.292 2.837 0 40 IFAB O=C(CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1)Nc1nncs1 95456938 GZOUIUVUDYHOAB-UHFFFAOYSA-N 437.554 2.971 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)cc1 96099601 VIBOSNAORSQBMS-XEWABKELSA-N 449.550 2.631 0 40 IFAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O 96144450 VZIDKJZLKQLVAL-HSZRJFAPSA-N 427.549 2.537 0 40 IFAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 135979006 BJUDTNWKMRPVDS-PMXSJFBMSA-N 436.556 2.503 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1cccc(OC)c1)S(C)(=O)=O 220634514 DQCSBWLLRJWCIE-SFHVURJKSA-N 444.513 2.606 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCOCC1 223189269 QKMBKZSWQNZIOL-MRXNPFEDSA-N 444.553 2.696 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 223984334 NRWXNOCTDRRXHX-INIZCTEOSA-N 445.541 2.724 0 40 IFAB CCc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224391492 ZQAZBGZEVQTMQL-UHFFFAOYSA-N 446.569 2.998 0 40 IFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)C1 248131380 KSKKQIUFWYGUNI-HLIPFELVSA-N 442.560 2.736 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248262062 WNYSZEZUHUALTK-AVJFOWIRSA-N 442.519 2.931 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 253601582 CEFIGYGDDALBDP-CDNOPDGFSA-N 430.520 2.940 0 40 IFAB O=C1NCCN(C(=O)c2n[nH]c(=O)c3ccccc23)[C@H]1Cc1ccccc1-c1ccccc1 257345015 ZZOQESKBKFKWAC-QFIPXVFZSA-N 438.487 2.773 0 40 IFAB COc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 306134887 OAMZMLMXGOEXAZ-AOYPEHQESA-N 444.535 2.882 0 40 IFAB COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408561728 KOYJLIZJHRGLGI-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409249015 IDNBTLYLNQGGDI-CXUHLZMHSA-N 430.844 2.993 0 40 IFAB O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCN3CCOCC3)c2)C1 585282107 XSWFFIPUPGJZGR-VWLOTQADSA-N 426.557 2.804 0 40 IFAB COc1ccccc1Cc1nnc(S[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)o1 589275771 NBKFNAHNGVLUFH-YJBOKZPZSA-N 432.546 2.510 0 40 IFAB Cc1noc(C)c1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3302888 QVFJDSYDHZJUDO-UHFFFAOYSA-N 427.379 2.942 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 3481305 CGRNSEPDQFZZSX-SFHVURJKSA-N 436.917 2.983 0 40 IFAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c(c1=O)S[C@H](C)C2 4800828 IJMGEDNQQFHRSA-OAHLLOKOSA-N 430.599 2.741 0 40 IFAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCCN2CCCCC2)c2ccccc21 5087007 AYVSJVAROLYJEY-UHFFFAOYSA-N 426.561 2.685 0 40 IFAB CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1C 8718569 YRKKQKUSBSUXPP-LLVKDONJSA-N 442.476 2.565 0 40 IFAB CCn1c(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)nc2cc(S(N)(=O)=O)ccc21 9114756 NPCYBANIUDLSFA-LBPRGKRZSA-N 436.563 2.600 0 40 IFAB CCOC(=O)C1=NN(c2cccc(OC)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 9191691 XISGXSRXQRUGSZ-MJGOQNOKSA-N 441.871 2.954 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)Nc1nncs1 9303540 UUVUAOOGYXTYQA-UHFFFAOYSA-N 437.938 2.715 0 40 IFAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc3c(c2)OCO3)cc1 9348849 BPHZVWOEWQBJEM-QHCPKHFHSA-N 445.475 2.862 0 40 IFAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)cc1Cl 9675196 ANIWNYBSTHIDRR-SJORKVTESA-N 449.801 2.559 0 40 IFAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(C)ccc21 11726356 WOLBLVFAUOPGSS-QURGRASLSA-N 445.566 2.793 0 40 IFAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCc2c[nH]c4ccccc24)c3=O)cc1 12234189 JFACAVFUXIYPJS-UHFFFAOYSA-N 444.495 2.643 0 40 IFAB C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12296484 JQASNYDWCUYKKR-NBIBHJRZSA-N 442.556 2.887 0 40 IFAB COc1cc(OC)c2cc(C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)n(C)c2c1 12324397 RDWQJPDTQFJPCY-UHFFFAOYSA-N 439.468 2.725 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(SC(F)F)cc1 12531532 FVPDUYGFBZBKKM-ZIAGYGMSSA-N 426.441 2.658 0 40 IFAB CC(C)C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)O 12798123 YBUPCVYSXKFKSB-KBPBESRZSA-N 438.575 2.893 0 40 IFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 12929672 HANMYYBIDCUGKY-OAHLLOKOSA-N 447.948 2.906 0 40 IFAB Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nn2)c(C)c1C 13009378 YNJSTHPKUSGGPI-UHFFFAOYSA-N 446.964 2.752 0 40 IFAB COc1cc(CNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1OCc1ccccc1 18160817 YLAUDMHCLYLUEP-WOJBJXKFSA-N 434.492 2.842 0 40 IFAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCOc3ccccc32)nnc1N1CCOCC1 19353603 SIMCGFTUCOEXEC-QGZVFWFLSA-N 431.562 2.503 0 40 IFAB Cc1nc(CC(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cs1 19696575 CZLORCGHLKGBAY-MRXNPFEDSA-N 445.566 2.531 0 40 IFAB COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(OC)c1C 20890603 ZOBPNABQIVGQFP-UHFFFAOYSA-N 432.498 2.847 0 40 IFAB COc1cccc(N2CCN(C(=O)CCn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)c1 23125632 PDKMLMQHQKEAIH-UHFFFAOYSA-N 445.523 2.934 0 40 IFAB O=C(CSc1ncnc2sccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23882737 CKSQWHHUPCZNSE-UHFFFAOYSA-N 428.539 2.857 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccccc2F)CC1 28223555 FXMAZPKOPFBNDF-GOSISDBHSA-N 431.533 2.575 0 40 IFAB Cn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)NC[C@H]1CCCc2ccccc21 29110344 DXMHUQKSKMTLBB-QGZVFWFLSA-N 427.526 2.947 0 40 IFAB O=C(COc1cccc(NC(=O)C2CC2)c1)NCCCN1CCN(c2ccccc2)CC1 31238987 CDOMEGIRJKCXCT-UHFFFAOYSA-N 436.556 2.742 0 40 IFAB CCOCCCNc1nnc(SCC(=O)Nc2ccccc2S(C)(=O)=O)s1 32777436 ZAQIYROJMZBKMI-UHFFFAOYSA-N 430.577 2.511 0 40 IFAB COc1cn(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 45541048 YIJCWIXJQFJZMD-LJQANCHMSA-N 448.523 2.771 0 40 IFAB O=C(Nc1cccnc1N1CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 48343470 LUMPGRQZXDQMMH-UHFFFAOYSA-N 428.558 2.862 0 40 IFAB O=C(NCc1cccnc1OCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)o1 48355943 VGUQNEAFVDDTIX-UHFFFAOYSA-N 441.509 2.968 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 58161220 ULQQHDNCSTZWJI-QGZVFWFLSA-N 429.542 2.531 0 40 IFAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCCC3)c(C)c12 58312961 JAKXGQZEVUEUAS-CVEARBPZSA-N 448.614 2.567 0 40 IFAB COc1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1OC 71328276 ZIKCIMNZLPJTTF-UHFFFAOYSA-N 435.440 2.719 0 40 IFAB CSc1ccc(CN(C)C(=O)Nc2cnn(CC(=O)N3CCOC(C)(C)C3)c2)cc1 72309755 PUUMDERLKZTILH-UHFFFAOYSA-N 431.562 2.906 0 40 IFAB COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1-c1ccccc1OC 72404782 HZONHUBEQHCLED-UHFFFAOYSA-N 442.501 2.890 0 40 IFAB CCC(=O)NCc1cc(S(=O)(=O)N(CC)C[C@H]2COc3ccccc3O2)ccc1OC 89941764 MNZBZUVJEOAJNZ-KRWDZBQOSA-N 448.541 2.572 0 40 IFAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(NC(C)=O)ccc21 100877735 IYTCEUVNABASFH-LNVKXUELSA-N 427.482 2.974 0 40 IFAB CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)s1 225684900 RKZPOMCNSUCJHF-OAHLLOKOSA-N 448.551 2.855 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730317 NDVZHFKRSYBXNK-UHFFFAOYSA-N 436.843 2.668 0 40 IFAB CN1CCN(c2ccc(NC(=O)c3ccccc3I)cc2N)CC1 226263337 GFFPKIVYIMZUAK-UHFFFAOYSA-N 436.297 2.878 0 40 IFAB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 238838307 HGBFHJMDDJWPHI-CQSZACIVSA-N 428.388 2.704 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)COc3cc(C)nc4ccccc34)C2)nc2c1CN(C)CC2 257316786 VGZIQQHGBJDOIR-QGZVFWFLSA-N 446.555 2.758 0 40 IFAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)N3CCCC3)CC2)C1 306124495 BRNJPIDJKBYIIG-UHFFFAOYSA-N 442.495 2.673 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccc(F)cc2)cc1 408544387 HYHLSKXUWIFQIL-UHFFFAOYSA-N 438.521 2.961 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Cl)c1 408635472 BTTMBMSUCAQLMP-UHFFFAOYSA-N 430.954 2.650 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccccc2)cc1 409026133 HEFYHKOKOQMAQD-UHFFFAOYSA-N 439.493 2.628 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3cn[nH]c3)[C@H]21 604404908 LQFVUORWJSDZOE-NRFANRHFSA-N 447.451 2.571 0 40 IFAB biogenic O=C(NCCN1CCCCC1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584279 LAPWANAGHSCEJQ-UHFFFAOYSA-N 437.584 2.992 0 40 IFAB CC(C)NC(=O)CN1Cc2ccccc2CC2(CCN(C(=O)CC(F)(F)F)CC2)C1=O 1565552126 KZQKOMZUEUIYNG-UHFFFAOYSA-N 439.478 2.657 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888920849 USIDXOXFMJVEGA-ROUUACIJSA-N 425.514 2.505 0 40 IFAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@@]1(O)CCCN(c2ncccn2)C1 2037924043 NPCLUXSOJYANOY-VWLOTQADSA-N 439.604 2.805 0 40 IFAB CCOc1cc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O 1019482 XECKZJRXQSHIAF-FAKFISEUSA-N 436.501 2.734 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1289558 JNQIYUSDRQOZJS-CYBMUJFWSA-N 447.285 2.993 0 40 IFAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCS(=O)(=O)Oc1ccccc1 2643565 JWKXSSOGJUMOTK-UHFFFAOYSA-N 436.489 2.891 0 40 IFAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3251264 IMTIMIKUWRDNFZ-UHFFFAOYSA-N 447.893 2.601 0 40 IFAB Cc1cc(C)c2cc(CN(CCCN(C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 4162012 VXADBPQZFHBQSI-LJQANCHMSA-N 430.618 2.952 0 40 IFAB COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1OC 4176704 KPOZQXKCVAHTFO-IBGZPJMESA-N 437.525 2.983 0 40 IFAB CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccc(C(=O)OC)cc2)c1 6461947 UOKBPHPFPKDKMY-UHFFFAOYSA-N 440.485 2.528 0 40 IFAB CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccccc2F)n1)c1ccccc1Cl 8590710 KZMRHDOUEZDNDX-KRWDZBQOSA-N 431.855 2.943 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc2O1 8726004 CDZLUANRXLYERW-LJQANCHMSA-N 436.537 2.755 0 40 IFAB O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 8728187 VXQJWHKZEQYKJH-UHFFFAOYSA-N 426.491 2.510 0 40 IFAB O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1)c1ccc(F)cc1 8770560 CIGZQPOERWEGQW-NMWGTECJSA-N 446.891 2.940 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 9306496 MQXONOHBUYBROB-LJQANCHMSA-N 429.542 2.704 0 40 IFAB COc1cccc(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1OC 9465823 IFICVDRZQMVLSF-UHFFFAOYSA-N 425.528 2.909 0 40 IFAB Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc2n1 9665511 MFJYDMDZQMGLMR-KBPBESRZSA-N 442.545 2.660 0 40 IFAB CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3F)c2=O)CC1 9725826 BKERHFJDBXAYOU-UHFFFAOYSA-N 429.517 2.965 0 40 IFAB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c2ccccc12 10024055 PQQZVYTZQOZHTK-UHFFFAOYSA-N 446.550 2.861 0 40 IFAB CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc12 10337264 NOOIHXZDTIIZOJ-UHFFFAOYSA-N 437.493 2.940 0 40 IFAB COc1ccc(CNC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)cn1 11006664 JDYUSYGXYQJCRH-UHFFFAOYSA-N 432.274 2.545 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccccc3F)CC1)NC2=O 12086542 XLEMGYUUEKODHW-FYSMJZIKSA-N 438.503 2.703 0 40 IFAB O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12)N1CCOCC1 12389879 IJSCFZBTBSDIFC-UHFFFAOYSA-N 444.948 2.571 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)ccc1OC 12548291 QOMNHSCISBBPQC-INIZCTEOSA-N 448.570 2.704 0 40 IFAB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)c1ccc(NS(C)(=O)=O)cc1 12630841 ADAQHFLLUAFEGA-FZMZJTMJSA-N 442.588 2.864 0 40 IFAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cnn(C)c2C)CC1 12752160 PNSAHXBVBDGAKI-UHFFFAOYSA-N 432.590 2.790 0 40 IFAB COc1ccc(OCCN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 12796300 ALRXUQUGJPJKKS-UHFFFAOYSA-N 426.922 2.507 0 40 IFAB COc1ccc(C(=O)NCc2ccccc2OC(F)F)cc1S(=O)(=O)NC(C)C 12827317 CLMMQBHDUNXKMC-UHFFFAOYSA-N 428.457 2.913 0 40 IFAB CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)nnc12 13085876 UMOKDCNNSLXKRR-IYBDPMFKSA-N 442.589 2.805 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)OC(C)(C)C)ccc2Cl)C[C@@H](C)O1 13287705 FVPCFEVTAHXZMH-CHWSQXEVSA-N 447.937 2.636 0 40 IFAB CN1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13690194 CXUOGSTYJBYGSF-UHFFFAOYSA-N 447.538 2.759 0 40 IFAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n(-c3ccc(Cl)cc3)c(-c3ccccc3)cn21 13690806 SIDKCDSZOCERND-UHFFFAOYSA-N 449.854 2.544 0 40 IFAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)c1 15858437 CATNKFMZJMGPLE-NSHDSACASA-N 438.889 2.922 0 40 IFAB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCO2 15882599 JMIPTCNFUUCHDE-OAQYLSRUSA-N 444.491 2.665 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3c(c1)CCC3)n2C 15922719 DOQDIXLEEVWBHS-UHFFFAOYSA-N 426.542 2.884 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 15940514 RMYCWEMAERZQCK-NSHDSACASA-N 435.527 2.631 0 40 IFAB CCOC(=O)c1oc2ccccc2c1Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 16683341 MEYBRXQRXREYBA-UHFFFAOYSA-N 432.498 2.850 0 40 IFAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2OC)CC1 17095009 HKHPAZUXQFXHED-UHFFFAOYSA-N 426.542 2.881 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19696131 UFUROROVSISGJJ-IBGZPJMESA-N 427.593 2.912 0 40 IFAB CNc1cc(C(=O)NCC[C@@H]2C[C@H](NC(C)=O)C[C@H](c3cc(F)cc(F)c3)O2)ccn1 19712410 FGXHMBQIJCKUMB-XUVXKRRUSA-N 432.471 2.946 0 40 IFAB Cc1nc2ccccc2n1CC(=O)N1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1 19765969 CWFCPMZBASCEFC-UHFFFAOYSA-N 446.555 2.964 0 40 IFAB C[C@H]1C[C@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 20034990 WUJGMCVCGYCATE-IRXDYDNUSA-N 427.636 2.633 0 40 IFAB Cc1cccc(C)c1OCC(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 21335966 SKIJOCZZLDRPRR-UHFFFAOYSA-N 431.510 2.821 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1OC 21756410 MOEZFPUYPFJGNW-UHFFFAOYSA-N 432.542 2.915 0 40 IFAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccc(O)cc2)CC1 22202870 OXKXOKBOSOGKBD-UHFFFAOYSA-N 442.519 2.967 0 40 IFAB O=C(N[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1ccccc1)c1ccccc1 22607244 SKAIOGCUQMBYET-AZUAARDMSA-N 443.507 2.643 0 40 IFAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 23524766 JCPQDYRVEPHEEA-KKSFZXQISA-N 432.542 2.947 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 24611540 HAXOAOVYFARVGW-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB COc1cc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(OC)c1OC 29882138 OFLLBDPOJCZBGC-CMDGGOBGSA-N 426.513 2.874 0 40 IFAB O=C(NCCSCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 32747902 DFFLXXJSBDORHI-HNNXBMFYSA-N 426.535 2.869 0 40 IFAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c(C)c12 32827557 PYVHZTXCMLRHSE-UHFFFAOYSA-N 429.908 2.562 0 40 IFAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1cc(N2CCOCC2)ncn1 35598371 PPNQDFNKTLELHX-CYBMUJFWSA-N 441.315 2.583 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccnn3C(C)C)o2)cc1 36701451 DIQMDKLMLWOKAM-UHFFFAOYSA-N 432.506 2.797 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c(C)c1 38752984 YQPRAWHHKFOZMY-UHFFFAOYSA-N 437.493 2.562 0 40 IFAB O=C(CNC(=O)c1ccc(Br)cc1)NCc1ccc(N2CCCC2=O)cc1 39995627 AJRUSRDOYOSZRJ-UHFFFAOYSA-N 430.302 2.622 0 40 IFAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 58161219 ULQQHDNCSTZWJI-KRWDZBQOSA-N 429.542 2.531 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 58441665 JNQKBVZTZVQWAL-QFBILLFUSA-N 433.911 2.694 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)Nc3cc(C)nn3C)CCCC2)c1 69924544 SJMKVAATSJFLBA-UHFFFAOYSA-N 433.530 2.614 0 40 IFAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(OC)ccc3OC)c2C)cc1 71327424 OERFJPNROHCSLD-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB C[C@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F 72312592 NLMAQRYIRQMXGR-YBTHPKLGSA-N 449.385 2.944 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)c(C)n1 72371689 HBJPHZANSYRIAW-INIZCTEOSA-N 447.536 2.873 0 40 IFAB O=C(NCCn1ccc2cc(Br)ccc21)[C@H](c1ccccc1)n1cnnn1 72402695 JCABMJPEIYUKJK-SFHVURJKSA-N 425.290 2.796 0 40 IFAB COc1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 78875063 OIELMUHWJOVRFQ-NTDBWNAOSA-N 438.590 2.643 0 40 IFAB COc1cccc(NC(=O)CN(C2CC2)S(=O)(=O)[C@H]2CCN(Cc3ccccc3)C2)c1 95431833 WDPYJDUQMFLYPJ-QFIPXVFZSA-N 443.569 2.702 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](CN3C(=O)c3cnccn3)Oc3ccccc32)cc1 96111703 YPLKYKHCKWFCIW-RXVVDRJESA-N 430.464 2.694 0 40 IFAB biogenic,in-vitro C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)O[C@H](C)C(=O)NC1CCCCCC1)C2=O 105126329 GCVOYEFPLIJPDS-LNPFQXMTSA-N 435.565 2.894 0 40 IFAB O=C(NCC1(c2ccccc2)CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 225475872 PCVQJHIKHWFQIO-UHFFFAOYSA-N 442.581 2.952 0 40 IFAB O=C(c1cccnc1O[C@@H]1CCSC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 252537714 MBZSIVMTRHOQGK-QGZVFWFLSA-N 427.526 2.653 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 253602154 JGEJVJQUFWTNAN-MFMILTCTSA-N 433.505 2.808 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CCC3)nn2c(O)c1CCC(=O)N1CCCC1 257235483 GYAZVVWSCNFWGI-LJQANCHMSA-N 425.533 2.762 0 40 IFAB CCCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)no1 257305107 SOLZMZFSCUCBDP-AVRDEDQJSA-N 441.528 2.786 0 40 IFAB Cc1ncsc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257341867 ZMGDGDGTYVCJTG-ICSRJNTNSA-N 442.585 2.525 0 40 IFAB Cc1ccc2nc(COc3ccccc3C(=O)NCCCN3CCC[C@H](C(N)=O)C3)cn2c1 521329218 XMKOQVMSWFFZTB-IBGZPJMESA-N 449.555 2.539 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1cnn2ccccc12 554348590 KIVOAWSMBLUMQR-UHFFFAOYSA-N 443.529 2.839 0 40 IFAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CC(Oc3ccnc(C(F)(F)F)c3)C1)CS2 1888864009 UAXWFDVYXOMLLP-LBPRGKRZSA-N 440.447 2.601 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 656275 AGVAGPVJJWSUGG-SFHVURJKSA-N 432.542 2.803 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)cc1OC 882388 DBGCQCOFRKAHSF-UHFFFAOYSA-N 429.454 2.891 0 40 IFAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)OCO3 930044 KVEKYRPGCDVALV-UHFFFAOYSA-N 439.493 2.942 0 40 IFAB O=S(=O)(NCCCCCCNS(=O)(=O)c1ccccc1F)c1ccccc1F 1795950 JKFQHBYHDDLIHA-UHFFFAOYSA-N 432.514 2.782 0 40 IFAB CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(-c2nnc3c4ccccc4c(C)nn23)c1 2396331 YASINDYEIDWRSC-OAHLLOKOSA-N 425.514 2.611 0 40 IFAB Cc1ccc(Nc2nnc(SCC(=O)NCCN3C(=O)CSC3=O)s2)cc1C 2627591 HWGCUTSWCUNIKW-UHFFFAOYSA-N 437.572 2.802 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)CC2=O)cc1 3414297 LGMJMOKSGDGSQT-QGZVFWFLSA-N 449.507 2.909 0 40 IFAB O=C(COc1ncnc2sc3c(c12)CCCC3)N1CCN(C(=O)c2ccco2)CC1 3423397 AUSSEDPNTBDHDD-UHFFFAOYSA-N 426.498 2.527 0 40 IFAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 3520144 JGRWPVMHRSOPHQ-UHFFFAOYSA-N 437.525 2.814 0 40 IFAB CCCCn1c(SCc2nnc(-c3ccccc3)o2)nc2c1c(=O)n(C)c(=O)n2C 4103017 HZHZNNBCEMHRNY-UHFFFAOYSA-N 426.502 2.576 0 40 IFAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 8011758 IJCCYTMFSZWEHP-UHFFFAOYSA-N 427.570 2.997 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 9304325 RCZKHSSCZFZJHL-CYBMUJFWSA-N 432.527 2.739 0 40 IFAB O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cc1F 9336421 CBJGGQCBPRAXNN-UHFFFAOYSA-N 445.875 2.690 0 40 IFAB O=C(NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Br)o1 9512182 FPFFSYZSBKWQPG-CYBMUJFWSA-N 435.274 2.907 0 40 IFAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4CCc3ccccc3)n(C)c2=O)c1 9519132 SROQKGDFUQCJFG-IBGZPJMESA-N 443.551 2.952 0 40 IFAB COc1cccc(NC(=O)CSc2nccn(-c3ccc(OC)c(OC)c3)c2=O)c1 9761370 CTOXWYKMDCHWOJ-UHFFFAOYSA-N 427.482 2.989 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2)cc1C 10301528 BGXWJAQTTMQFDP-FQEVSTJZSA-N 446.569 2.880 0 40 IFAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 10734026 JNFIJTYTEKFJSR-INIZCTEOSA-N 431.510 2.698 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C)nc2c1cnn2C(C)C 10961574 QQOJXTFCAOLKCM-UHFFFAOYSA-N 431.518 2.832 0 40 IFAB CCc1n[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1 11716608 FSPVFQFAPMHZKW-ZIAGYGMSSA-N 437.591 2.765 0 40 IFAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](c4ccccc4)C3)CC2)Nc2ccccc21 12085634 KIVVFJASMRTLPS-FQRUVTKNSA-N 446.551 2.957 0 40 IFAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@@]1(CCCN(C(=O)c3scnc3C)C1)O2 12087202 METFMAFNKYZIHY-FQEVSTJZSA-N 435.571 2.589 0 40 IFAB O=C(N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)C1(c2ccccc2F)CC1 12089464 LBNFBKKYAGLRKX-HXUWFJFHSA-N 429.517 2.826 0 40 IFAB C[C@H]1Cc2cc(C(=O)N[C@@H](c3ccccc3F)c3nccn3C)ccc2N1S(C)(=O)=O 12519857 GRUVPEPMQBUPJK-XOBRGWDASA-N 442.516 2.789 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12532844 ALKJEYNSWGETEL-WFXMLNOXSA-N 428.492 2.914 0 40 IFAB O=C(COc1ncnc2sc(-c3ccccc3)cc12)NCCN1C(=O)CSC1=O 12549289 FUAGADAUXMYGKH-UHFFFAOYSA-N 428.495 2.549 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NC(=O)NC1CCCCC1 12622667 LPTYTXGROAWSET-MRXNPFEDSA-N 444.557 2.826 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 12921183 QAMIVJFXRVDPNE-HNNXBMFYSA-N 431.286 2.905 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12928589 CLJGYYGTLVMDEZ-QGZVFWFLSA-N 425.554 2.985 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1C 13038589 CWAYAKNYTNBGLJ-UHFFFAOYSA-N 442.537 2.930 0 40 IFAB CC(=O)Nc1cccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c1 15858453 PNBJWTADKASCCP-LLVKDONJSA-N 435.889 2.863 0 40 IFAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 16024844 WWZBWNDPKKUBGW-UHFFFAOYSA-N 442.497 2.866 0 40 IFAB C[C@@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(S(C)(=O)=O)cc1 16109637 UZMFLEVNDUCXRA-LRYXAPPNSA-N 447.601 2.925 0 40 IFAB CC(C)NC(=O)[C@H]1CN(Cc2cnc(C(C)C)nc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19454122 GNYZRRIMOLVCHG-PMACEKPBSA-N 437.592 2.730 0 40 IFAB COCCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@H](c4ccccc4)C3)nc12 19594190 YAGZUHJCJQFFDA-IBGZPJMESA-N 433.512 2.503 0 40 IFAB Cc1nc([C@H]2CCCCN2CC(=O)N(C)C)nc2c1CCC(=O)N2CCc1ccccc1 19740928 BICNVUPWSUDHHN-OAQYLSRUSA-N 435.572 2.922 0 40 IFAB COCCn1c(=O)n(C)c(=O)c2ccc([C@H]3CCCN(Cc4ccc(Cl)cc4)C3)nc21 19743043 WIYJUEDCYJEKPH-KRWDZBQOSA-N 442.947 2.775 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 20019692 GICCREQELIQMIQ-OAHLLOKOSA-N 436.530 2.648 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(F)c(F)c1 20023189 NOZDRNOCWKOVRN-UHFFFAOYSA-N 446.859 2.657 0 40 IFAB O=C(NCc1ccccc1)c1ccc2c(=O)c(S(=O)(=O)c3ccccc3)c(O)[nH]c2c1 20529999 TYBMXCRCNQAABV-UHFFFAOYSA-N 434.473 2.997 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23145067 QAXNVDSYUJXLQC-UHFFFAOYSA-N 447.538 2.681 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 23721823 HFEBWQUZAONHQX-QGZVFWFLSA-N 437.587 2.607 0 40 IFAB NC(=O)N[C@H](CC(=O)NCc1nnc2ccccn12)c1cccc(Oc2ccccc2)c1 25608613 LXYZOCHJQICTFA-LJQANCHMSA-N 430.468 2.938 0 40 IFAB O=C(NC[C@H]1CCCO1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 27663171 LZEWWTLTXUSBSU-CXAGYDPISA-N 428.510 2.924 0 40 IFAB CCc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2cccs2)cc1 29429319 SUDPVTDDXQNGSX-LJQANCHMSA-N 434.521 2.776 0 40 IFAB COc1ccc(OC)c(CN2CCN(C(=O)CCc3cccc(OC)c3OC)CC2)c1 30107474 CCDDXKOTCBKHCP-UHFFFAOYSA-N 428.529 2.998 0 40 IFAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1 32731851 OLBVXHKFWNUPGA-HXUWFJFHSA-N 445.585 2.847 0 40 IFAB CCCCNC(=O)CN1CCN(CC(=O)c2cc(C)n(Cc3cccs3)c2C)CC1 32759642 KUCWUUHIQFMUTB-UHFFFAOYSA-N 430.618 2.931 0 40 IFAB CCOc1ccc(-c2nc3s/c(=C/c4cc(OC)c(OC)c(OC)c4)c(=O)n3n2)cc1 33285069 ZYJOWTLFRXQDCW-LDADJPATSA-N 439.493 2.790 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2=O)cc1OC 40066858 MLEIWRVHTMYVSN-HNNXBMFYSA-N 442.468 2.630 0 40 IFAB C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 48253985 VXNYAGBIISIDFL-CJNGLKHVSA-N 437.418 2.897 0 40 IFAB COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1OC 49400800 KTFANQXYGQHHOC-UHFFFAOYSA-N 448.523 2.766 0 40 IFAB O=C1CN(C2CCCCC2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 55408683 HRWHBUXJMLSVBR-DLBZAZTESA-N 427.364 2.596 0 40 IFAB COCCOC(=O)c1c(NC(=O)CN[C@H]2CCCc3ccccc32)sc(C(N)=O)c1C 58372987 VAJHAJQPJYMCKY-INIZCTEOSA-N 445.541 2.564 0 40 IFAB COC(=O)[C@@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340238 CEFIGYGDDALBDP-MDTICMOCSA-N 430.520 2.940 0 40 IFAB Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 72371144 ZNKZUJNSFPNSGK-FQEVSTJZSA-N 435.528 2.544 0 40 IFAB Cc1cc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n([C@@H]2CCS(=O)(=O)C2)n1 72404600 KBNRIPCPWJOTPX-GOSISDBHSA-N 427.530 2.535 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccccn1 80338322 CNHAWJIGXYZUKA-CQSZACIVSA-N 436.343 2.925 0 40 IFAB CC(C)COC(=O)N1CCCN(C[C@@H](C)N2CCCN(C(=O)OCC(C)C)CC2)CC1 95977351 SYNNDJRAAMWDLH-OAQYLSRUSA-N 440.629 2.976 0 40 IFAB COc1ccc(N2N=C(C(C)=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 100950774 AMOJUWNSOWNPJU-SJLPKXTDSA-N 442.269 2.781 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101635033 ZFIUKVORRNKVIP-JENIJYKNSA-N 432.542 2.864 0 40 IFAB O=C(NC[C@]1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@H](O)C1)c1ccc(F)cc1 107430264 ASOFNHBUMJYZDO-HGKCTWBKSA-N 428.382 2.550 0 40 IFAB biogenic,in-vitro CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)s1 222702357 VAMNLGULKDFLCK-LLVKDONJSA-N 430.577 2.840 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 222812306 TZBJMWVMCVRIDO-LJQANCHMSA-N 432.542 2.875 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c2cccnc12 223249019 IEQPRAMNODBVDI-UHFFFAOYSA-N 429.498 2.820 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)N3CCc4ccccc4C3)cn2)cc1 223384380 ITVQABIZTBFHQU-UHFFFAOYSA-N 436.537 2.804 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Br)cc2)cc1 224196007 SFSHTUXPUBHZTJ-UHFFFAOYSA-N 427.320 2.508 0 40 IFAB O=C(NCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 224356885 HTMDQWNZYWIZJP-UHFFFAOYSA-N 438.496 2.702 0 40 IFAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224984922 CGMYLSBLFCVLEH-RBUKOAKNSA-N 445.585 2.785 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225435586 GCRWDNKOXLWPNW-KRWDZBQOSA-N 449.548 2.535 0 40 IFAB CO[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)s1 225707798 DBUGMLSFWOYSHT-CYBMUJFWSA-N 428.919 2.721 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 225776908 OXBVXZQJXKLLNH-GOSISDBHSA-N 429.586 2.985 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccc3Br)C2)cc1 238891316 QQIKCDFPCMJBQQ-AWEZNQCLSA-N 440.319 2.645 0 40 IFAB O=C1NCCN(C(=O)COc2ccc(F)cc2F)[C@H]1Cc1ccccc1-c1cccnc1 257201602 AIHLCICNFOIQRX-NRFANRHFSA-N 437.446 2.975 0 40 IFAB CN(C)CCOc1ccccc1C(=O)N1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 257287475 PQDSUJLRJOBUND-QHCPKHFHSA-N 435.528 2.636 0 40 IFAB O=C(c1ccco1)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1ccccc1)CC3 306140264 UOKCHRHAQDSHHS-UHFFFAOYSA-N 444.535 2.873 0 40 IFAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(n2c(O)nc3ncccc3c2=O)CC1 390828588 BHTZJXUMCYSPHE-UHFFFAOYSA-N 432.402 2.922 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(F)cc3)c(=O)n2[C@H]1c1ccccc1 408866474 HPFQDCSPPQFANQ-LVSKKATPSA-N 437.496 2.959 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@H]1c1cccs1 408867643 LQYGSHUQYSFSOK-XOQYZJNISA-N 425.535 2.881 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2O)C1=O 409251380 PUTUMTYUEFHSQY-NTEUORMPSA-N 446.257 2.695 0 40 IFAB Cc1ccc(NC(=O)CSc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)cc1 409390636 KRZASOAYDODWFK-UHFFFAOYSA-N 436.541 2.913 0 40 IFAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 556315038 IESDEINEMQPSQV-UHFFFAOYSA-N 440.443 2.882 0 40 IFAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cccc(OCCn4ccnc4)c3)C2)c1 585274652 LVCSYFRWUFLLSM-RUZDIDTESA-N 437.540 2.913 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCCN(c4ccccc4)C3)n(C)c2)C1 604241447 QSJQNAZZHNSFDZ-OALUTQOASA-N 444.601 2.845 0 40 IFAB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)c1ccccc1Cl)CC2 643564686 AKUOKCRAVJCSIQ-KRWDZBQOSA-N 449.979 2.774 0 40 IFAB CCOC(=O)CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1 2273191 HKPARWIHRZGWAV-ATVHPVEESA-N 431.286 2.899 0 40 IFAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC(C)C 2640565 VBPQGUXJKQGITQ-UHFFFAOYSA-N 432.542 2.938 0 40 IFAB COC(=O)CNC(=O)CSc1nnc(-c2ccccc2OC)n1CCc1ccccc1 3304420 LUEPYVFDEAYIPD-UHFFFAOYSA-N 440.525 2.578 0 40 IFAB COc1cc(OC)c(-c2cc(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 3306894 RRYMWYVCGLLSSD-UHFFFAOYSA-N 433.464 2.992 0 40 IFAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2Oc2ccccc2)c1=O 3387289 ONFMAWWAUORHHB-UHFFFAOYSA-N 449.511 2.551 0 40 IFAB CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6501100 QOWLWZZTOPSEKP-HNNXBMFYSA-N 447.536 2.838 0 40 IFAB COc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)CCC(=O)O)cc1 9060538 UJURJIFMAHYYPL-IBGZPJMESA-N 445.497 2.609 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1 9284129 CNIPJOCXZYAOTI-UHFFFAOYSA-N 445.522 2.790 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nc2ccc(F)cc2s1 9412240 IUDYDWKRUGGNHX-UHFFFAOYSA-N 437.474 2.514 0 40 IFAB COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccc(C)cc2)c(=O)[nH]1 9518132 KOWNKUURIHWJFT-UHFFFAOYSA-N 439.497 2.652 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)NC[C@H]2CCCO2)c1 9630970 QMMBRJHZXQLGQC-QGZVFWFLSA-N 447.509 2.523 0 40 IFAB COc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 9829379 DADKGKNWZGIVTJ-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB CCc1ccccc1NC(=O)CNC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 10213150 NSKJNHZIDMZWMI-UHFFFAOYSA-N 446.573 2.717 0 40 IFAB O=S(=O)(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Br)cc1 10516667 NCKNDGGWTKPRNY-UHFFFAOYSA-N 431.333 2.691 0 40 IFAB Cn1c(=O)c2c(nc3n2CCN3c2ccc(OCc3ccc(Cl)cc3)cc2)n(C)c1=O 11692415 FNZXLVQUCLWGRK-UHFFFAOYSA-N 437.887 2.818 0 40 IFAB COc1cc(C(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 11990894 BAWFLTSCAHMDFF-SFHVURJKSA-N 433.526 2.584 0 40 IFAB COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1OC 12140665 NMGXWSDCJGHVTG-UHFFFAOYSA-N 433.555 2.612 0 40 IFAB O=C(NCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 12322204 WGWCLXVTUNLZGL-HXUWFJFHSA-N 437.515 2.776 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c(C)c1 12551569 PSLKIDKXZBSANP-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1OC 12948160 LYJOMASJZHVERQ-MLGOLLRUSA-N 430.432 2.517 0 40 IFAB CC[C@@H](C)N(C(=O)COC(=O)c1oc2ccccc2c1COC)[C@@H]1CCS(=O)(=O)C1 13039043 SOYNFASOKJSPHE-HUUCEWRRSA-N 437.514 2.550 0 40 IFAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 13121367 OWWHZXZJOMWOCC-UHFFFAOYSA-N 427.482 2.795 0 40 IFAB CCCCN(C(=O)CN1CCSc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13130450 YXFGVEYRCMOTPS-UHFFFAOYSA-N 445.589 2.520 0 40 IFAB Cc1nc(SCC(=O)Nc2ccccc2Br)[nH]c(=O)c1CCC(=O)O 13447665 OJVQXAZJUIMRLO-UHFFFAOYSA-N 426.292 2.589 0 40 IFAB COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1Br 13671708 WCZJSUNNLJDRHM-UHFFFAOYSA-N 446.319 2.962 0 40 IFAB O=c1ccc(-c2ccco2)nn1CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 13799803 MFOOVLMTQIGNCF-UHFFFAOYSA-N 443.403 2.771 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 14201351 UULGVLYMBAJSNG-QFIPXVFZSA-N 440.503 2.923 0 40 IFAB COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 15831126 VBAQZAWEEMSAHA-QGZVFWFLSA-N 441.505 2.940 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1OC 16046423 RFGYTPBLKUUHPG-UHFFFAOYSA-N 428.470 2.872 0 40 IFAB CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Br)c1OCC(N)=O 16688335 DOAVRFJOLHXJNE-UHFFFAOYSA-N 437.290 2.730 0 40 IFAB COc1ccc(NC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1OC 17112844 QKTYCIZZHFRVEH-UHFFFAOYSA-N 435.531 2.592 0 40 IFAB COc1ccc(CCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 17912390 KCAKGSFLBZLQRL-UHFFFAOYSA-N 441.528 2.570 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 18092231 CFLUTEDRRXHRGJ-UHFFFAOYSA-N 427.526 2.853 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 19572172 YVMGDTZIQDJLOX-LJQANCHMSA-N 432.528 2.897 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2CC1CCOCC1 19706275 HICAIOIPUZAWLP-OAQYLSRUSA-N 438.576 2.915 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)ncc1C(=O)N1CCOCC1 19751887 JFQLIIHCJKMPQL-HXUWFJFHSA-N 426.492 2.693 0 40 IFAB CCN1CCN([C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19940755 GFYPHTJRUVJHPT-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB COc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22334140 OUSLOZGKZRHFMH-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 23805404 ZUIKTLDDXTUKRN-OAQYLSRUSA-N 441.959 2.837 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)NC(=O)CCS3)C1=O 23945732 YMVOYNQEVHXCCF-JOCHJYFZSA-N 438.509 2.709 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)cc2C1=O 24596917 QHZPHYKSIDKVEE-UHFFFAOYSA-N 446.463 2.536 0 40 IFAB O=C(c1occc1COc1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1 24777869 SVKKURJHHLOAPP-UHFFFAOYSA-N 430.468 2.797 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCC1(N2CCOCC2)CCCCC1 29968927 XPHCFONITGJUAE-FQEVSTJZSA-N 433.618 2.689 0 40 IFAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 31040795 YMRUOBOHGDHUGN-XMMPIXPASA-N 448.479 2.675 0 40 IFAB NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 32760733 IZSNWVCZFDVKMF-GOSISDBHSA-N 449.338 2.557 0 40 IFAB COC(=O)c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1 32999835 LCRQFMKLKIYXQR-MRXNPFEDSA-N 434.290 2.652 0 40 IFAB CCOc1ccc(-c2nc3s/c(=C/c4ccc(OC(C)=O)c(OC)c4)c(=O)n3n2)cc1 33342553 MFUOCFNSJUDMLN-XDHOZWIPSA-N 437.477 2.698 0 40 IFAB CCc1ccc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 34857664 MACOFKQOEDUXRW-IBGZPJMESA-N 429.586 2.574 0 40 IFAB N[C@H](CCCNC(=N\C(=O)OCc1ccccc1)/N=C(\O)OCc1ccccc1)C(=O)O 35027728 YVEVTHZNIALJHD-GOSISDBHSA-N 442.472 2.592 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1C 36383961 VQUOOXXLEYOHMI-HSZRJFAPSA-N 441.597 2.804 0 40 IFAB COc1ccc(S(=O)(=O)n2nc(-c3cnn(C)c3C)cc2-c2cnn(C)c2C)cc1 36611544 KTTNVYKVPJKLEQ-UHFFFAOYSA-N 426.502 2.547 0 40 IFAB O=C1C[C@H](C(=O)NCCc2ccccc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399290 VFKXFWKRWHBABK-INIZCTEOSA-N 437.887 2.952 0 40 IFAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc1 40399835 LGRIUEHLJONCNO-KRWDZBQOSA-N 449.467 2.985 0 40 IFAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCO[C@@H](c2ccc(Br)cc2)C1 48366463 CHNFHNKZSOQPPU-GOSISDBHSA-N 428.286 2.828 0 40 IFAB O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1nc(-c2cccnc2)cs1 49389519 DPEZFELKTWUWLU-UHFFFAOYSA-N 437.481 2.857 0 40 IFAB Cc1ccc([C@@H](c2c(N)n(CC(C)C)c(=O)[nH]c2=O)N2CCN(c3ccccc3)CC2)o1 58145683 UTCNWUDRAUXYBX-NRFANRHFSA-N 437.544 2.588 0 40 IFAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1CCO 67300591 LDXITDAXPMXHEL-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c1Cl 72289518 MDQAGVIRVRKKJF-JHJVBQTASA-N 436.405 2.998 0 40 IFAB CON(C)S(=O)(=O)c1cc(NC(=O)CNC(=O)CC2CCCCC2)ccc1Cl 72306403 XYARJBMUMFVPQP-UHFFFAOYSA-N 431.942 2.547 0 40 IFAB C[C@@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F 72312593 NLMAQRYIRQMXGR-GIPWTMENSA-N 449.385 2.944 0 40 IFAB CCN1CCN(C(=O)Cn2cc(C(C)C)nn2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351846 LOXQWGBIMIRHKM-QHCPKHFHSA-N 446.555 2.766 0 40 IFAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)c3nccn3C)CC2)cc1 72354975 KOTOCJFYAVDMDL-UHFFFAOYSA-N 448.527 2.874 0 40 IFAB CNc1ncc(C(=O)N2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 72371707 HUYAQFLLMNOHPI-ZDUSSCGKSA-N 428.443 2.771 0 40 IFAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)NCCc2cscn2)N1Cc1ccccc1 95939834 SQPZMLQZHKLEPC-XMMPIXPASA-N 446.532 2.981 0 40 IFAB CN1C(=O)[C@](O)(CC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c2ccccc21 100283399 OTFKXOZYJSBULY-ATLLOTDBSA-N 432.476 2.803 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccccc1Cl 106615713 LURVSZISXTYPFL-IFXJQAMLSA-N 449.935 2.786 0 40 IFAB C[C@@H]1C[C@@H](C)CN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(F)c2)C1 139072992 CVIFACNZOVLYFR-NQBHXWOUSA-N 431.443 2.595 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222934949 NDSDGXNCXYNGRS-NRFANRHFSA-N 445.585 2.623 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222938723 UGRQNRCTHVOSOV-FQEVSTJZSA-N 445.585 2.623 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCc4ccccc4C3)ccc21 223752292 BMQNIYQXNOPOCC-UHFFFAOYSA-N 427.570 2.712 0 40 IFAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 224401433 DONPWJZHTBJBOR-UHFFFAOYSA-N 432.911 2.764 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)ccc21 225112896 DQSYWIPNNXLIKK-UHFFFAOYSA-N 439.946 2.996 0 40 IFAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NC1CCN(C(C)C)CC1)NC2=O 248003549 OPWLUVAEBFKVQG-PTUXEOADSA-N 441.572 2.939 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)cc1 408627530 NTLBGEPDZDDRSA-UHFFFAOYSA-N 445.541 2.726 0 40 IFAB Cc1ccc(F)cc1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 409165111 SPFIQVNSGRCLQA-UHFFFAOYSA-N 427.505 2.852 0 40 IFAB O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 504009476 RRORDPXZKYSTKN-NBCVKUGOSA-N 437.499 2.850 0 40 IFAB biogenic O=C(CC1(Cn2cccc2)CCCCC1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 524733522 RFAWDMCMZXUESR-UHFFFAOYSA-N 436.622 2.704 0 40 IFAB CC(=O)N[C@@]12CCN(C(=O)c3cc4cc(F)ccc4n3C)C[C@@H]1[C@@H](c1ccccc1)NC2 585261218 BVVUTOMEUOZFLV-QFZRFWILSA-N 434.515 2.999 0 40 IFAB Cc1ccc2nc([C@H]3CCCN(C(=O)C4CCN(c5ccc6nncn6n5)CC4)C3)[nH]c2c1 589695341 MTQFISIEEUINNG-SFHVURJKSA-N 444.543 2.932 0 40 IFAB CC(=O)N1CCCN(Cc2ccccn2)CCN(C(=O)c2cnccn2)Cc2ccccc21 643566715 IORZNOFXNBOHQJ-UHFFFAOYSA-N 444.539 2.773 0 40 IFAB COc1ccc(/C=C/c2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1OC 1501040197 DYARBQOTSQMSIJ-KGXGESDWSA-N 449.558 2.512 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CN(c5ccc(C(C)(C)C)nn5)C[C@@H]4C3)nn2)n1 1888897844 IZDUBSUIUXZWKU-HDICACEKSA-N 446.559 2.575 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888920894 MTGIVMGPDLZRQD-UHFFFAOYSA-N 431.518 2.691 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cc2)n1 3459359 PPXIHVZKLBYZIU-UHFFFAOYSA-N 430.555 2.697 0 40 IFAB COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CO)CC2 5437869 FERWCDLDSFOGIE-HNNXBMFYSA-N 431.510 2.557 0 40 IFAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954961 DBYKDIRXWRRGGV-UHFFFAOYSA-N 446.554 2.545 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)Cc2n[nH]c(=O)c3ccccc23)c1C 9171377 CIPAYQPQTHPUGT-GOSISDBHSA-N 448.523 2.729 0 40 IFAB COc1cccc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)c1 9262077 OPSDGWBKYXEVAI-UHFFFAOYSA-N 443.504 2.666 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 9340688 DIWBIBLNZXIFIW-XNWPKKHHSA-N 434.279 2.893 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 9448739 JFPWEJKDXXSSSY-MCFFVMPBSA-N 443.544 2.748 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 9478070 ZPQOQQRSBSZWED-SFHVURJKSA-N 427.526 2.598 0 40 IFAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1)C1CC1 9580195 UXJBGBNKMISUBT-VIFPVBQESA-N 432.531 2.732 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H](NC(C)=O)C(C)C)ccc1C 9689970 NLNQNKHDISPVLS-FQEVSTJZSA-N 433.530 2.904 0 40 IFAB Cc1nc(SCC(=O)c2c[nH]c3ccccc23)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 9994370 LCCOCXYQRJOZQK-UHFFFAOYSA-N 437.525 2.911 0 40 IFAB O=C(Nc1nnc(C(F)(F)F)[nH]1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12545145 KTPQPEZRWDZWSE-UHFFFAOYSA-N 428.396 2.557 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cccc(I)c1 12553073 CYTZKLDGXWBQMO-UHFFFAOYSA-N 442.278 2.984 0 40 IFAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cc2ccccc2c(=O)[nH]1 12796750 JJYYOPLFGPVAIG-QGZVFWFLSA-N 438.509 2.764 0 40 IFAB O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NC1CC1 12874799 YZAJSFJWFSLCRC-UHFFFAOYSA-N 429.524 2.576 0 40 IFAB COc1cccc(-c2nc(CS[C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)c1 12931307 QGIBWIIWVOGAOF-TZMCWYRMSA-N 426.585 2.744 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(C[C@H](O)COc3ccc(Br)cc3)C2=O)c1 12942740 NBAASMAHDVNFBZ-YWZLYKJASA-N 449.301 2.665 0 40 IFAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1 12971537 HODMURLLOGBSAI-MRXNPFEDSA-N 430.526 2.951 0 40 IFAB COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)N1CCOCC1 12985316 FNZYWRTXOOCAHH-QGZVFWFLSA-N 448.566 2.683 0 40 IFAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 13109547 RUXZJOVKTLIGTK-UONOGXRCSA-N 426.344 2.878 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13156599 QEGFUKDSDKBRGF-LJQANCHMSA-N 438.480 2.784 0 40 IFAB COc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1nccs1 13501981 LSSGXSDPCIPAIU-UHFFFAOYSA-N 442.497 2.813 0 40 IFAB COc1ccc(Cl)cc1CN1CCN(C(=O)CCC(=O)Nc2nnc(C)s2)CC1 13770792 NTHVXJDPUYUSAA-UHFFFAOYSA-N 437.953 2.572 0 40 IFAB CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14182603 QUKHYMXSURMPEF-UHFFFAOYSA-N 446.429 2.782 0 40 IFAB C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(S(N)(=O)=O)cc1 14224885 LWWOEPFPCCCPQZ-AWEZNQCLSA-N 428.514 2.569 0 40 IFAB CCOc1ccc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1CO 19694965 SYIZSTYPHYJGSC-SFHVURJKSA-N 434.544 2.880 0 40 IFAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)c1cc(C3CC3)nn1C)C2 19701051 UYEFPDUNHSUBNU-UHFFFAOYSA-N 446.511 2.734 0 40 IFAB COc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1S(=O)(=O)N(C)C 21599182 QTQMJAUFEWSNOH-UHFFFAOYSA-N 436.515 2.628 0 40 IFAB COCc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1CCC(C)C 22448824 CMYSVRCNFSOVNT-UHFFFAOYSA-N 428.533 2.556 0 40 IFAB Cc1nc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)n(C[C@H]2CCCO2)c1C 22955084 ZUMSCHPPWSLPJA-LJQANCHMSA-N 430.574 2.675 0 40 IFAB O=C(CSCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134775 GXECKQFOHCYJAP-UHFFFAOYSA-N 444.511 2.518 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2c(F)cccc2Cl)CC1 23844780 IBUFQMOHUZVIGV-UHFFFAOYSA-N 426.897 2.757 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(CN2CCCCC2)cc1 25263296 DVHDXCLIWKHDFU-UHFFFAOYSA-N 433.549 2.796 0 40 IFAB CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)OCCCO3)n([C@@H]2CCS(=O)(=O)C2)n1 28621984 YAYRMIHIUVMFAE-OAHLLOKOSA-N 433.530 2.954 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)C[C@@H](C)O1 29184546 BTCQWFSEEYQFFK-ZACQAIPSSA-N 445.585 2.528 0 40 IFAB CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)nc1C 36631334 WXZIEJGYDJYFKM-GFCCVEGCSA-N 440.547 2.560 0 40 IFAB COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(F)cc5)c(=O)n4ccn3n2)cc1 38487556 HRCMZQNDPIVIPA-UHFFFAOYSA-N 432.415 2.597 0 40 IFAB O=C(c1ccc(-c2cnco2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 40150796 RGIGMSSSXDOGET-UHFFFAOYSA-N 437.521 2.977 0 40 IFAB COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OCc2ccccc2)cc1 44974191 IGWYSJOINDAIAR-HXUWFJFHSA-N 447.491 2.667 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 58162373 SYOHTSZABWDBHU-GOSISDBHSA-N 431.558 2.646 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(CC)cc1 67286539 JCUVHQHLUVKOBM-GHTZIAJQSA-N 443.544 2.695 0 40 IFAB COC(=O)[C@@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 71328996 TXFBGZJRHWRGMY-LLVKDONJSA-N 435.253 2.856 0 40 IFAB CC(=O)c1c(C)nn(CC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)c1C 72327807 LTOBMBOSIRGUMM-DVECYGJZSA-N 438.528 2.724 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340229 VMBYJNSRPKZUTG-NMMYMHLASA-N 430.520 2.940 0 40 IFAB C[C@@H](CNC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O)N1CCCCCC1 72344590 WNQSGNYSJUFCIC-KRWDZBQOSA-N 428.508 2.620 0 40 IFAB COc1cc(/C=C/C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)ccc1OCC(N)=O 78987115 VRTYKFRVVHSJGF-PKNBQFBNSA-N 449.548 2.582 0 40 IFAB CC[C@H]1CCCCN1C(=O)COC(=O)C(C)(C)C(=O)OCC(=O)N1CCCC[C@@H]1CC 95995796 GVSRLJZBJIDXEA-ROUUACIJSA-N 438.565 2.681 0 40 IFAB CCOC(=O)C1=C(CN(Cc2ccccc2)[C@H](CO)C2CC2)NC(=O)N[C@@H]1c1ccco1 107536368 CHOYRQQNFAAZKE-DENIHFKCSA-N 439.512 2.724 0 40 IFAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cccc(OC)c1)S(C)(=O)=O 220618509 OYRMSIPRNQYOFP-SFHVURJKSA-N 426.560 2.882 0 40 IFAB CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 222655757 DYEFYNULBUERTH-KRWDZBQOSA-N 445.946 2.960 0 40 IFAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 225427007 CKGQMOPUKFDKMM-UHFFFAOYSA-N 434.905 2.913 0 40 IFAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)N1CCOCC1 225573756 JIIOTJZKXUAUDJ-UHFFFAOYSA-N 442.487 2.750 0 40 IFAB CC[C@H](OC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(C)cc4C)C(=O)[C@H]13)O2)C(=O)NC(C)(C)C 245227596 PYTPVJGHIUBBRS-KQHKVODXSA-N 440.540 2.826 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(C)nc2)CCN1Cc1ccccc1 257299479 RQFIYUUFIHBBOH-QFIPXVFZSA-N 445.523 2.650 0 40 IFAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306123054 ADMQFTCXBKCIGN-BWKNWUBXSA-N 444.539 2.913 0 40 IFAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 408527020 CZPVZTQPCZJIBT-LJQANCHMSA-N 437.521 2.978 0 40 IFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 408650038 AGOIQPBQIMGGJV-APWZRJJASA-N 438.480 2.637 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1 409389107 OVAXHSHJTSNMPE-IBGZPJMESA-N 432.542 2.803 0 40 IFAB CN1CC(=O)N2CC[C@@H](CC(=O)NCc3ccccn3)[C@@H](/C=C\COc3ccccc3C1)C2 514287335 LFDWXJIKCZDAGH-YGICRIAWSA-N 448.567 2.633 0 40 IFAB CC(=O)N1CC[C@H](CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 556929928 GOOIQAGJUPFMTQ-CYBMUJFWSA-N 432.874 2.955 0 40 IFAB Cc1ccccc1OC[C@@]1(O)COCCN(CC2(O)CCN(c3cccc(F)c3)CC2)C1 585287311 MKHVNIOJHHZRLM-VWLOTQADSA-N 444.547 2.608 0 40 IFAB CN1CCCCN(C(=O)CCCn2cncn2)CCCOc2ccc(Cl)cc2C1=O 643558696 UJNJCYYPMPUZKG-UHFFFAOYSA-N 433.940 2.875 0 40 IFAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2cc(OC)c(OC)c(OC)c2)c1O 1547212440 YGBLADJCFCXUMV-MRXNPFEDSA-N 449.500 2.620 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(OCC)cc2)c1 929973 SXVZVQUQYZEQDW-UHFFFAOYSA-N 427.486 2.969 0 40 IFAB Cc1cc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1C 1335264 WQCLNTHSUYWVOI-HXUWFJFHSA-N 442.537 2.751 0 40 IFAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCC(=O)N1CCc2ccccc21 2631852 IOOGIPBHDLSRQG-UHFFFAOYSA-N 437.521 2.929 0 40 IFAB COCCCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 2640680 XMVZNRMYQHMMLO-UHFFFAOYSA-N 442.940 2.865 0 40 IFAB COc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1 3529774 OFTBSTMRYQIJOX-UHFFFAOYSA-N 447.509 2.918 0 40 IFAB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557160 NBIRPDZJAZJHFI-UHFFFAOYSA-N 438.505 2.758 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1C 3587669 JCUOBRDZXARBNS-UHFFFAOYSA-N 432.498 2.658 0 40 IFAB COc1ccc([C@H]2N(C(=O)CN3CCCCC3)CCN2S(=O)(=O)c2ccccc2)cc1 3640891 KTCAZEPAQXCZBX-QHCPKHFHSA-N 443.569 2.713 0 40 IFAB COC(=O)C1CCN(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 8707778 JOKOVJBKEIFPCL-UHFFFAOYSA-N 435.480 2.902 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 9001548 YELUZDWRXWNGHG-UHFFFAOYSA-N 429.480 2.511 0 40 IFAB CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc(F)cc1 9184243 IOGXHBSFGBPFAV-KRWDZBQOSA-N 430.505 2.732 0 40 IFAB CC(=O)N1CCN(c2ccc(NC(=O)CSc3ncn(-c4ccccc4)n3)cc2)CC1 9191280 UYKPTJQWMSMOBU-UHFFFAOYSA-N 436.541 2.667 0 40 IFAB Cc1cccc(Nc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)s2)c1 9335898 GFGOKIJGVQVEFK-UHFFFAOYSA-N 446.558 2.968 0 40 IFAB COC(=O)c1cc(OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(C(=O)OC)c1 9398541 MHBDTMNYDUJYHD-VOTSOKGWSA-N 430.409 2.904 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c(C)c1 9743610 PURRXTKPBWFYKF-LJQANCHMSA-N 443.569 2.992 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1cccc(C)c1 9761584 ILLQHQPREJQJLW-UHFFFAOYSA-N 428.466 2.794 0 40 IFAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(O)c(I)c2)C1=O 9762931 IBKHANNYJJUIDU-WUXMJOGZSA-N 447.250 2.985 0 40 IFAB Cc1nc2ccc(S(=O)(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)cc2s1 9844621 YNGAHMCYVZSBGY-UHFFFAOYSA-N 444.513 2.946 0 40 IFAB COC(=O)c1ccc(COC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 9863997 QJLDLEZTGCXPTK-SFHVURJKSA-N 427.478 2.934 0 40 IFAB CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccs1 10139223 CBMPCFOWIRPKFX-KRWDZBQOSA-N 443.525 2.921 0 40 IFAB COc1ccc(CNC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10334947 LFTYFBODFQGUSV-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)Nc1ccccc1SC(F)F 10499990 QKMRYAMLSSVUJC-UHFFFAOYSA-N 435.408 3.000 0 40 IFAB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)CC2=O)c(OC)c1 11834784 QLKKGIJORADTNE-YYIAUSFCSA-N 432.517 2.778 0 40 IFAB O=C(COC(=O)CCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1-n1cncn1 12451975 RTWPXWKVDCOWPT-UHFFFAOYSA-N 428.832 2.764 0 40 IFAB CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 12508573 KKJJWKJBHHZBDM-UHFFFAOYSA-N 443.447 2.702 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)c(Br)c1 12521395 CPVYUKGNEJIBJH-UHFFFAOYSA-N 449.348 2.514 0 40 IFAB COCCc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12748745 CQYUSTJDWOTRSM-UHFFFAOYSA-N 439.555 2.818 0 40 IFAB CCOc1ccccc1NC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 12765438 FTGKYMYGEHPLSY-AWEZNQCLSA-N 443.529 2.855 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)CC2)c(C)c1 13041722 PWWBCDLQSCBIRD-BQYQJAHWSA-N 430.574 2.509 0 40 IFAB CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCc3ccccc3C2)c1 14254610 HGXCEWYNPVUURI-UHFFFAOYSA-N 439.331 2.830 0 40 IFAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)s1 19217025 ABNPMIGYZOPYBW-GOSISDBHSA-N 449.536 2.711 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCC3)CC1)O2 19218966 MYICHAMZCPIBNO-OSPHWJPCSA-N 427.545 2.706 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 19333348 GIHMIPLQPVBODL-HXUWFJFHSA-N 438.503 2.500 0 40 IFAB CO[C@H]1CCC[C@H](C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)C1 19561323 YZDFTJASBKQAQH-IRXDYDNUSA-N 433.574 2.634 0 40 IFAB COc1cccc(CN2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1OC 19694977 HJSNPNSTMGMMHP-FQEVSTJZSA-N 436.516 2.590 0 40 IFAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCO1 19696771 NQFWXCFNAQRNLO-INIZCTEOSA-N 439.541 2.673 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O 19699719 DMBKBJRDKUXKFV-HXUWFJFHSA-N 432.609 2.990 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19742028 LRISQBKFRBVVSN-INIZCTEOSA-N 430.530 2.537 0 40 IFAB COc1ccccc1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O 20353576 MLZPHOZGQMBQFS-UHFFFAOYSA-N 430.464 2.812 0 40 IFAB CCOC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccs1 20559053 YJHHOAKZHMEMSH-HXUWFJFHSA-N 432.590 2.870 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1OCC 21140113 KMOCAAVBIIFBRJ-INIZCTEOSA-N 440.496 2.735 0 40 IFAB O=S(=O)(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 22227771 LNOUFRQSEHMFPM-UHFFFAOYSA-N 440.562 2.958 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(OC)ccc1OC 22252795 CEMONMIKHJJFIX-UHFFFAOYSA-N 438.502 2.759 0 40 IFAB COc1ccc(OC)c(CN2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)c1 23989509 UFOJRHKXVZWOSF-IBGZPJMESA-N 443.569 2.714 0 40 IFAB COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 24974616 MNUAOVFMXDIKBH-KBXCAEBGSA-N 437.448 2.898 0 40 IFAB O=C(CSc1nnc(-c2cccs2)o1)NC[C@H]1CN(Cc2ccccc2)CCO1 25777041 AVMMEXNHMBAVLD-INIZCTEOSA-N 430.555 2.907 0 40 IFAB CCOC(=O)c1cc(NCc2cc(=O)n3nc(CC)sc3n2)cc(C(=O)OCC)c1 26799090 IESBWWSECBFDFW-UHFFFAOYSA-N 430.486 2.679 0 40 IFAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 30947261 NKFWBUHPIWAVML-FQEVSTJZSA-N 445.560 2.571 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC 38834992 BRCXYTUYOSBGMA-KRWDZBQOSA-N 440.905 2.913 0 40 IFAB CC(=O)Nc1nc(C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cs1 40122049 QRWHDMJXYSOHIY-UHFFFAOYSA-N 426.420 2.719 0 40 IFAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(N3CCCC3)nn2)CC1 44065198 DNSYPUSRKHHJNI-UHFFFAOYSA-N 441.479 2.607 0 40 IFAB O=C(c1ccc(Cl)cc1)[C@@H](O)[C@H]1O[C@](O)(Cl)C[C@@]1(O)C(=O)c1ccc(Cl)cc1 44563598 RVWBDHDMEWROTH-OWYHZJEWSA-N 445.682 2.825 0 40 IFAB COC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCC(C)CC1 49402171 WMPAEGUREPJTLZ-UHFFFAOYSA-N 429.901 2.931 0 40 IFAB CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccccc1NC(=O)c1cccs1 58217917 IQGKCDGTAKALJZ-GOSISDBHSA-N 428.558 2.673 0 40 IFAB O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1CNCC2=O)NCc1cccnc1 67878820 ZBCRDHSXAQMVKX-UNMCSNQZSA-N 436.556 2.515 0 40 IFAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1 72353140 IOEVKRTVNATEGO-LJQANCHMSA-N 438.513 2.964 0 40 IFAB CC(=O)NC1(CC(=O)N2CC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)CCCCC1 72374722 ZJBPWNSROKLWBG-SFHVURJKSA-N 436.560 2.974 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3nnc4n3CCC4)cc2)c1 95390010 VOLULXFIEUDPDZ-HNNXBMFYSA-N 435.484 2.741 0 40 IFAB Cc1nc(Cn2cc(-c3nc(C(=O)N4CCN(C)CC4)c4ccccn34)nc2C)cs1 96155119 XMTNLQTWXXLTCS-UHFFFAOYSA-N 435.557 2.707 0 40 IFAB Cc1cccc(NC(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)c1 96156709 KVEJFYYQYQCARI-LJQANCHMSA-N 428.500 2.573 0 40 IFAB CCOC(=O)[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 218179195 PDXCEXPRYLTROM-BJLQDIEVSA-N 437.901 2.517 0 40 IFAB CCOc1ccc(CNC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 219192168 FQGYADDCLPFWIR-UHFFFAOYSA-N 446.525 2.930 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1NC(C)=O 223602723 IYKHDTDAGIMTIN-UHFFFAOYSA-N 430.486 2.833 0 40 IFAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 223669720 SPKWHFUKFYHBFY-UHFFFAOYSA-N 436.555 2.953 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224324462 SOQBZDBJZVUETO-OAHLLOKOSA-N 435.521 2.754 0 40 IFAB O=C(CCN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257201743 AIWJHHUIAVKWMN-KYPHJKQUSA-N 443.632 2.552 0 40 IFAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306131632 KKPGPEYCTZFDGS-PXDATVDWSA-N 444.539 2.913 0 40 IFAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704694 RNGWHWQJEOXIJP-SJORKVTESA-N 432.542 2.750 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)N2Cc3ccnn3[C@@H](CC(=O)NCc3ccco3)C2)c1 585095833 OGKGQNPDGXXHJB-SFHVURJKSA-N 428.514 2.545 0 40 IFAB Cc1nc(CN2CC[C@@H]3CN(S(=O)(=O)c4ccc5c(c4)OCCO5)C[C@@H]3CC2)cs1 2056223708 BKBMLZOMMFDIRR-CALCHBBNSA-N 449.598 2.755 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3317163 GBLKZGMKEBNUTP-KRWDZBQOSA-N 442.537 2.996 0 40 IFAB COCCn1c(SCn2nnc3ccccc3c2=O)nc2cc(Cl)ccc2c1=O 3442977 RYKZQCRARUFNDL-UHFFFAOYSA-N 429.889 2.551 0 40 IFAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)NC(N2CCN(c3ccccc3)CC2)=N1 8758132 WSRHESOBUIUKTK-QGZVFWFLSA-N 446.338 2.999 0 40 IFAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21 9000993 BCURUTSCNMLAFN-UHFFFAOYSA-N 429.480 2.511 0 40 IFAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)c1 9124379 GKXNSIDXOCVNGE-UHFFFAOYSA-N 434.544 2.550 0 40 IFAB Cc1cccn2c(=O)cc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)nc12 9253233 SSIWTTRQNOCWKQ-UHFFFAOYSA-N 448.552 2.772 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1cccc(F)c1 9761867 OJVIZHRZUZJNOT-UHFFFAOYSA-N 425.416 2.874 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(OC)cc3)cc2c1=O 10273861 BCHMVCGNSNFDGQ-UHFFFAOYSA-N 432.436 2.597 0 40 IFAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)CCn4cncn4)CC3)C1)c1cccn1-2 12086234 HLMQUGSCILHTCV-DEOSSOPVSA-N 448.527 2.570 0 40 IFAB Cc1nc2cc(C3CCN(C(=O)[C@@H](C)n4ncc5ccccc5c4=O)CC3)nn2c(O)c1C 12134069 HHUQNTXNIPBQCM-MRXNPFEDSA-N 446.511 2.729 0 40 IFAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccccc1Cl 12937176 GWMPSFYAVDPKRB-SFHVURJKSA-N 428.964 2.943 0 40 IFAB COc1ccc(CCn2nnnc2CN2CCN(c3cccc(C)c3C)CC2)cc1OC 13505590 MUSNXURABNLGTN-UHFFFAOYSA-N 436.560 2.872 0 40 IFAB O=C(Nc1nnc(Cc2cccs2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 13653607 HDWMYLHHMKHURQ-HNNXBMFYSA-N 436.490 2.653 0 40 IFAB CCc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(OC)cc3)C(=O)CCC(=O)O)C2=O)cc1 13785067 HCQAZPPCCBZZDY-HXUWFJFHSA-N 438.480 2.783 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nnc(COc3ccccc3F)n2N)c1 15278734 RLSYUOHAFFCEIL-GFCCVEGCSA-N 447.492 2.847 0 40 IFAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc21 17316331 RARPIBMQPPUEPH-UHFFFAOYSA-N 440.543 2.607 0 40 IFAB CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc(=O)n(C)n1 19358533 XEDVSVYYANSSBL-UHFFFAOYSA-N 443.481 2.955 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527639 CBWQRFVGCQBNQR-FCHUYYIVSA-N 433.552 2.681 0 40 IFAB CCN1CCN(C2CCN(c3nc(C)nc4c3CN(Cc3ccccc3)CC4)CC2)CC1 19528144 HKCGXNCNCIDRPD-UHFFFAOYSA-N 434.632 2.950 0 40 IFAB Cc1cc(C)n(CCC(=O)N2CC[C@@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)c(=O)n1 19704633 XVQDISPOZMXOKG-QGZVFWFLSA-N 439.491 2.708 0 40 IFAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 19708865 BURKYBLKSUZTCC-KRWDZBQOSA-N 446.555 2.853 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1C(C)C 19755179 MBHFBWYLYPPZMU-KRWDZBQOSA-N 432.546 2.850 0 40 IFAB CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 22060183 SVLNCGHFZLQFOA-BQFCYCMXSA-N 442.626 2.914 0 40 IFAB in-vitro COc1ccc([C@H](CC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)NC(C)=O)cc1 22305128 IXGMUYSZOBZELX-MDOVXXIYSA-N 446.573 2.967 0 40 IFAB CCOc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OCC 22332143 WYILBNNNANPVMH-UHFFFAOYSA-N 436.530 2.575 0 40 IFAB CCCCCCNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2c(c1)OCCO2 22512100 ANALQRFMDWMANK-MRXNPFEDSA-N 430.592 2.554 0 40 IFAB O=C(O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22533109 RVMNOLOYOFSCLC-LJQANCHMSA-N 430.526 2.998 0 40 IFAB C[C@H]1CN(CCNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)C[C@@H](C)O1 22612516 BUDNHVUYODFQOG-KJPNRUOZSA-N 443.569 2.938 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C(=O)Nc2ccccc2)c1C 22792150 CSEAICBGUWNOFL-UHFFFAOYSA-N 444.557 2.671 0 40 IFAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 22865410 CTUZHOHERIGOAQ-GOSISDBHSA-N 435.571 2.926 0 40 IFAB COc1cc(CNCCNCCO)cc(Br)c1OCc1ccccc1F 22942558 UBBDLEOTJNTBKU-UHFFFAOYSA-N 427.314 2.847 0 40 IFAB COC(=O)c1c2c(nc3c1c(-c1ccc(F)cc1)nn3[C@H]1CCS(=O)(=O)C1)CCC2 23136706 AQPOLSFPIYGRHT-AWEZNQCLSA-N 429.473 2.872 0 40 IFAB O=C(CSc1nnc(N2CCN(C(=O)c3ccco3)CC2)s1)Nc1ccccc1 23141619 ZWYNFJWVPWGQOL-UHFFFAOYSA-N 429.527 2.824 0 40 IFAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 23183782 GDCFYBWCLNAYOD-CZUORRHYSA-N 433.302 2.866 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F)c1ccccc1 24775348 RFLOISWPHBSFBC-CQSZACIVSA-N 449.389 2.724 0 40 IFAB Cc1ccccc1-n1c(SCC(=O)N2CCNC2=O)nc2cc(Cl)ccc2c1=O 24917506 RRHNPCAUBOOFCS-UHFFFAOYSA-N 428.901 2.991 0 40 IFAB COc1ccc(-n2ncc(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)c2C(F)(F)F)nn1 27838636 WWQIITOKCUWYTA-AWEZNQCLSA-N 446.433 2.946 0 40 IFAB CCc1ccc([C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2cccs2)cc1 29429320 SUDPVTDDXQNGSX-IBGZPJMESA-N 434.521 2.776 0 40 IFAB O=C(NCCCN1CCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 29521778 YPFLPDZYGGPIGJ-GOSISDBHSA-N 433.599 2.718 0 40 IFAB CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1N1CCOCC1 32741874 BSJNKHYWJVWFJC-UHFFFAOYSA-N 447.561 2.663 0 40 IFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)N1CCc2ccccc21 44839734 JPZGBTIZDFLQKN-UHFFFAOYSA-N 425.488 2.995 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(C)(=O)=O)cc1 44873770 URTIAKYVRSXOAH-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ncccc3C)nn2[C@H]2CCS(=O)(=O)C2)cc1 72405810 BCJVWYYVBTYSMP-INIZCTEOSA-N 426.498 2.874 0 40 IFAB O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc2c(c1)C(=O)NC2=O 78549605 GJADWVKPKJBGAU-UHFFFAOYSA-N 425.185 2.864 0 40 IFAB CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1C[C@@H](OCC)C12CCCCC2 78874820 MLTYONIJLBDASB-RBUKOAKNSA-N 442.560 2.612 0 40 IFAB C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1cc2ccccc2o1 79067473 DFOROLUIJXDXGD-CYBMUJFWSA-N 449.467 2.808 0 40 IFAB NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 89768279 JUYIEPNBQSSMCH-GDBMZVCRSA-N 441.981 2.679 0 40 IFAB O=C(C1CCN(c2cncc3nnnn23)CC1)N1CCC[C@@H]1Cc1ccccc1Cl 95436699 XNIQUJDHXKGQAJ-QGZVFWFLSA-N 425.924 2.623 0 40 IFAB Cc1cc([C@H](NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 95462605 OQTSXKXUHFJUBJ-DBXWQHBBSA-N 442.647 2.846 0 40 IFAB Cn1ncc2c(N3CCN(CC[S@](=O)c4cc(Cl)ccc4Cl)CC3)ncnc21 95949726 WEAWEMLKKARRSU-MUUNZHRXSA-N 439.372 2.600 0 40 IFAB COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)nc2ccc(Cl)cn2c1=O 96114427 VGGDJGCGKQILKW-ZDUSSCGKSA-N 425.828 2.590 0 40 IFAB biogenic CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 96120319 QQZCAFUVEQHYFJ-UHFFFAOYSA-N 431.505 2.633 0 40 IFAB CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 96231780 BELSOEIQAWNJJJ-IBGZPJMESA-N 425.558 2.999 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102020403 KDLLZBQBJKFOFS-FHWLQOOXSA-N 425.529 2.724 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CCN1CCOCC1 223127177 GDIBRPJGEYRSPR-YADHBBJMSA-N 434.569 2.572 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1C(=O)N1CCCC1 224005534 ZRFSBBJYYQMOFN-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CCC3)nn2c(O)c1CCC(=O)N1CCCC1 257235482 GYAZVVWSCNFWGI-IBGZPJMESA-N 425.533 2.762 0 40 IFAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc(Cl)c1)S(C)(=O)=O 260907998 VYDKAPXVEBYNTH-DLBZAZTESA-N 438.933 2.841 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCOC(C)C)C2)cc1C 408561693 VEMNOIDFSXOPFV-GOSISDBHSA-N 426.579 2.726 0 40 IFAB Cc1ccc(NC(=O)Cn2cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c3ccccc32)cc1 408595022 VINWJJJRTLKLOG-VCHYOVAHSA-N 432.436 2.566 0 40 IFAB CCC(=O)N1CCCN(C)CCCN(C(=O)Cn2ccnc2)Cc2cc(F)c(F)cc21 643581298 JLBHFUYTVMPXJL-UHFFFAOYSA-N 433.503 2.659 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 1363358 RDWYDDJRSNTVCH-HNNXBMFYSA-N 432.498 2.506 0 40 IFAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1Br)CC[C@H](C)C3 2778188 RHQNCZSJDQMCCT-QMMMGPOBSA-N 436.335 2.771 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 2889365 IILPJMUXIPZKBE-UHFFFAOYSA-N 435.571 2.650 0 40 IFAB Nc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)s1 3344008 VVHCYZKFRIXOMD-UHFFFAOYSA-N 429.483 2.832 0 40 IFAB CCN(CC)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 3481887 OUNVSVFDWSWNFL-UHFFFAOYSA-N 438.933 2.844 0 40 IFAB COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2nc3ccccc3s2)cc1 6904165 NSJKPABAWPAFEG-UHFFFAOYSA-N 426.483 2.789 0 40 IFAB Cc1noc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)n1 8593630 HVRSJUCXDSAJED-UHFFFAOYSA-N 439.859 2.503 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 8816445 KEFYQXCTGUTHKX-QGZVFWFLSA-N 433.574 2.981 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(S(=O)(=O)CC)CC3)cc1C 8840392 KOWWMAFDFMHHFC-UHFFFAOYSA-N 438.571 2.902 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCC(C(=O)O)CC3)cc2)cc1 8848241 FOKCCNUNZPGTMZ-UHFFFAOYSA-N 446.525 2.522 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O 8902058 CCSWWMVEYGWXKI-PSLXWICFSA-N 438.459 2.747 0 40 IFAB COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc(OC)c1OC 9124099 JOSWFHDRWBQQCX-NRFANRHFSA-N 439.468 2.736 0 40 IFAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc4C3)n2C)c1 9263279 SXDPMNXDLLQIRJ-UHFFFAOYSA-N 435.553 2.731 0 40 IFAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)cnc32)cc1 9412747 SXMAKNVRBKKRAS-UHFFFAOYSA-N 442.523 2.767 0 40 IFAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1F 9540108 YHBQJKRGUTXXDS-MRXNPFEDSA-N 440.518 2.636 0 40 IFAB COc1c(C(=O)NCCNC(=O)c2cnccn2)cc2ccccc2c1Br 9615184 CEDSHETWDPOSGB-UHFFFAOYSA-N 429.274 2.561 0 40 IFAB Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 11396886 ZHHQSYQHMFWDSP-UHFFFAOYSA-N 444.553 2.685 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 12443503 BPLRPLYSSYSXKG-UHFFFAOYSA-N 439.541 2.675 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 12552761 LKCMZLNXZXDTQU-UHFFFAOYSA-N 442.335 2.591 0 40 IFAB COC(=O)c1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc(C(=O)OC)c1 12794061 NNGMYOQGTMBXOK-UHFFFAOYSA-N 442.443 2.890 0 40 IFAB Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 12821568 PYRZREYOFNPJRK-UHFFFAOYSA-N 443.569 2.797 0 40 IFAB CN(C)C[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccccc1 13005314 XVUUZEGFCODWBQ-IBGZPJMESA-N 443.345 2.968 0 40 IFAB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 13575614 AQBCUPGBFSNXOC-LMMUWCHVSA-N 442.519 2.930 0 40 IFAB O=C(O)c1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 13682404 ZGIZAXDMOKABIQ-UHFFFAOYSA-N 430.526 2.998 0 40 IFAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@@]23CCC(=O)N2CCS3)cs1 14250564 JSAGYNXOJUMSMW-FQEVSTJZSA-N 447.538 2.945 0 40 IFAB CCOc1ccccc1OCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 14572876 SETKQEATKQCIIN-QGZVFWFLSA-N 437.496 2.908 0 40 IFAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccc(OC)c3)nnc12 15125584 UJNCZUGRYCHFGT-UHFFFAOYSA-N 437.525 2.871 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(Cc1ccco1)Cc1ccco1 15448567 KUZANQRGKKDVFU-UHFFFAOYSA-N 447.513 2.772 0 40 IFAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 16046182 KOKYVNGXJJADPI-HSZRJFAPSA-N 441.459 2.808 0 40 IFAB Nc1nc(COC(=O)CCN2C(=O)c3ccccc3C2=O)nc2sc3c(c12)CCCC3 18257828 VTLKQAZKJYBQKF-UHFFFAOYSA-N 436.493 2.882 0 40 IFAB Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 19222128 RPMUOPVZXXOQIZ-UHFFFAOYSA-N 434.540 2.881 0 40 IFAB Cc1nc(C)n(CC(=O)N2CCCC[C@H]3CN(C(=O)c4ccc5ncccc5c4)C[C@H]32)n1 19285742 FGVHSAMMXQJJLQ-RBBKRZOGSA-N 432.528 2.596 0 40 IFAB O=C(CN1CCC[C@]2(CNC(=O)c3ccccc3O2)C1)Nc1ccccc1OC(F)F 19374797 XWZJWCSLBPLWRT-QFIPXVFZSA-N 431.439 2.884 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cn2cncn2)C1 19448827 VIEGILALKUJXST-RUZDIDTESA-N 446.555 2.716 0 40 IFAB C[C@@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2)c1ccccc1 19459278 XIEYBRVGLVUATI-IERDGZPVSA-N 434.540 2.922 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527637 CBWQRFVGCQBNQR-FGZHOGPDSA-N 433.552 2.681 0 40 IFAB Cc1nn(CC(=O)N2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c(C)c1C 19556425 OMJDLIOEZHGREM-RUZDIDTESA-N 446.555 2.602 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2F)n1 19709838 ZYISROKEJORKFS-GOSISDBHSA-N 447.486 2.907 0 40 IFAB COC(=O)C1=C(C(=O)OC)N2C(=O)c3ccccc3[C@@H]1N2c1ccc(Br)cc1 19872828 BUQCIHVWPJCLKL-INIZCTEOSA-N 443.253 2.981 0 40 IFAB CCn1c(CSc2nnc(C(F)(F)F)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21 21226115 NHFJLJCZSRCSRL-UHFFFAOYSA-N 448.496 2.746 0 40 IFAB CC(C)c1ccc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 21391301 PXMOYOPDBDDFNX-UHFFFAOYSA-N 444.601 2.548 0 40 IFAB NC(=O)c1nn(CC(=O)Oc2ccc(Br)cc2Cl)c(=O)c2ccccc12 22397666 PYABDKMAUKYMHV-UHFFFAOYSA-N 436.649 2.517 0 40 IFAB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCOCC1 23107703 MAJBJOBDRPJDAF-HSZRJFAPSA-N 447.535 2.654 0 40 IFAB CCCNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C 23277504 TVZTVPNEJJWVRV-FZMZJTMJSA-N 439.361 2.754 0 40 IFAB O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccc(O)cc2o1 23827528 ACNKQZAFDVNADZ-UHFFFAOYSA-N 440.930 2.720 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 24606249 IDWMIOWYWWLZPM-UHFFFAOYSA-N 435.571 2.926 0 40 IFAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(c2ncc(Br)cn2)CC1 32104692 TZTLWIWYYDSONS-MRXNPFEDSA-N 434.269 2.807 0 40 IFAB CCOc1ccccc1C(=O)N1CCC(NC(=O)CCn2c(=O)oc3ccccc32)CC1 32831093 GMCGNCMSWWIAKV-UHFFFAOYSA-N 437.496 2.804 0 40 IFAB Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)C2=O)cc1 32991015 STXPDPYAFAFEPZ-GSXWEGFISA-N 445.566 2.602 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1OC 34781968 RRDNLFCGXJBAPV-LLVKDONJSA-N 447.340 2.994 0 40 IFAB CN(C(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 36385517 UZULHUAHTPYPNA-HSZRJFAPSA-N 441.597 2.670 0 40 IFAB CN(C(=O)Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)c1ccccc1 57503922 RHPYEZOGFIOFNA-UHFFFAOYSA-N 426.436 2.876 0 40 IFAB O=C(C[C@@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)O)Nc1ccccc1 71283840 XCZCVXGNMMHPNZ-HNNXBMFYSA-N 436.434 2.952 0 40 IFAB CCCn1cc(C(=O)OCC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 72265071 GWKTXJKCFQZDSP-UHFFFAOYSA-N 440.953 2.634 0 40 IFAB Cc1nc(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[nH]c(=O)c1C 72341825 DQLPPVRGQMGAJS-UHFFFAOYSA-N 430.452 2.671 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(c2ncncc2-c2ccncc2)CC1 100130967 XBUMDKWKXRRAJY-WOJBJXKFSA-N 447.539 2.810 0 40 IFAB COCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(Cl)ccc21 100872495 UYRBAMANWLANAC-XDOYNYLZSA-N 429.885 2.726 0 40 IFAB COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CC[C@@H](OC(C)=O)C[C@]3(O)CC[C@@]21O[C@@H]4OC 119169050 NAWSESIXRIDTIN-SZFGUGNWSA-N 436.545 2.970 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206841818 AFQMVDVSAANYIG-QGZVFWFLSA-N 427.482 2.526 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 219729280 XQFHDUVXEBPJRO-UHFFFAOYSA-N 428.514 2.796 0 40 IFAB COC(=O)c1cc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)ccc1Cl 220088218 WXUGJWUFNNPMFH-UHFFFAOYSA-N 432.832 2.810 0 40 IFAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222840884 TVCZDZGTGUAOJY-IBGZPJMESA-N 443.975 2.748 0 40 IFAB CCOC(=O)c1sc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)nc1C 223350206 ZVUOFCVNFRDLHD-UHFFFAOYSA-N 431.879 2.527 0 40 IFAB Cc1ccc(OCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1Cl 224187190 DOOJYBUMNHXVGI-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccncc3)cc2)cc1 224439146 UECXCBNLZLQMOM-UHFFFAOYSA-N 425.510 2.841 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)cc1 224600632 GANQCUBORSOFQC-SFHVURJKSA-N 445.585 2.762 0 40 IFAB COC(=O)CSc1nnc(NS(=O)(=O)Cc2cccc(Br)c2)s1 225761891 RFORARFMILKIDO-UHFFFAOYSA-N 438.350 2.508 0 40 IFAB CCn1c(=O)oc2cc(NC(=O)CN3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc21 257273467 NGRZLJHHNCWCPY-REWPJTCUSA-N 443.475 2.596 0 40 IFAB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3ccc(OC)c4ccccc34)C2)O1 306142749 XIHJODYWJCKRNN-DVECYGJZSA-N 427.545 2.918 0 40 IFAB C[C@]1(c2cccc(C(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)c2)NC(=O)NC1=O 543927355 LYASGRLWKGTVHB-LAUBAEHRSA-N 447.413 2.974 0 40 IFAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 552960319 MJAYHIJUKPPSQU-KURKYZTESA-N 435.509 2.506 0 40 IFAB CC(=O)N1CCCN(Cc2ccc(F)cc2)CCN(C(=O)[C@@H](C)N)Cc2ccccc21 643557349 YXBORJBUJSAXKV-GOSISDBHSA-N 426.536 2.760 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(C(=O)c1cccnc1)CC2 1549166343 CYMBMYOBXYHECV-JOCHJYFZSA-N 446.551 2.937 0 40 IFAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 1848639448 BFBYZXNSCIWMFZ-UHFFFAOYSA-N 428.496 2.838 0 40 IFAB CC(=O)c1cc(C(=O)N2CC[C@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)n[nH]1 2055771801 ZTPNDBSNCCKLAF-DEOSSOPVSA-N 431.496 2.705 0 40 IFAB CCCCN(C)C(=O)Cn1c(=O)n(C2CC2)c(=O)c2cc(F)c(N3CCCCC3)cc21 2087121174 QZKSXUOUXHQVOU-UHFFFAOYSA-N 430.524 2.886 0 40 IFAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2620937 BFOFANIOJDIWIN-UHFFFAOYSA-N 439.427 2.839 0 40 IFAB CCSC(SCC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)OC(C)=O 5330020 IGZAPMUTZWRKTE-XLUQRUARSA-N 438.564 2.565 0 40 IFAB COC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)sc(C)c1C 8889208 NDFAWBDPQSRVPZ-NRFANRHFSA-N 445.497 2.566 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(C3CCCCC3)o2)cc1 8928135 SJDGQENAXHLVKJ-KRWDZBQOSA-N 434.518 2.918 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1=O 9126219 RVXRKYYKQZFIFD-FQEVSTJZSA-N 435.524 2.990 0 40 IFAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)cc1O)OCC3(C)C 9252831 MCJYJLSMSKFPIM-JOCHJYFZSA-N 447.491 2.972 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 9492283 WXMCOMQLZUNYCF-QGZVFWFLSA-N 434.514 2.756 0 40 IFAB CCCCN(C(=O)CNc1cccc(Cl)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9509270 CGRJKMBBWOXGJZ-UHFFFAOYSA-N 435.956 2.982 0 40 IFAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)NC[C@@H]3CCCO3)o2)cc1 9518581 AAWZAAIXKDAXFX-INIZCTEOSA-N 432.546 2.684 0 40 IFAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccccc2)c2ccccc21 9519555 AHBBNZQXEQDUQF-UHFFFAOYSA-N 427.526 2.922 0 40 IFAB CCN(CC)C(=O)CS(=O)(=O)c1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12 9519936 XGNRXYVRAFZUKI-UHFFFAOYSA-N 435.590 2.929 0 40 IFAB Cc1oc2cc(O[C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 9666040 BMKTXQDWQOBCMN-RDJZCZTQSA-N 441.505 2.839 0 40 IFAB COc1ccccc1-n1c(C)c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc12 9829468 PKCLTJJQEMHIIX-UHFFFAOYSA-N 429.480 2.812 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 10323840 IGVTWEJHYAMMRY-UHFFFAOYSA-N 432.517 2.820 0 40 IFAB CCc1ccc2c(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)cc(=O)oc2c1 10745544 NSNCSIFCYVKSCE-QKFKETGDSA-N 426.469 2.899 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)CCCc3ccccc3)CC2)c1 11796697 BYBMAPMBMXGRNU-UHFFFAOYSA-N 443.613 2.976 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1C 12224981 LJWVLODIGSBJMB-UHFFFAOYSA-N 434.562 2.709 0 40 IFAB COc1ccc(C(=O)N[C@@H](CCSC)C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 12595859 NEFAQIJZNJRIJL-IBGZPJMESA-N 444.553 2.977 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1c(Cl)cccc1Cl 12880631 NFXYJMXZECYMBB-UHFFFAOYSA-N 430.313 2.578 0 40 IFAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCCN1CCCC1=O 12896219 QNSUVXNUUWYCSP-UHFFFAOYSA-N 436.464 2.673 0 40 IFAB biogenic C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 12995027 JMRAEVFSGWFEKB-INIZCTEOSA-N 430.526 2.736 0 40 IFAB COC(=O)C1=C(COc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 13566252 OCDMBKXEMGDWOV-HXUWFJFHSA-N 428.441 2.572 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(Cl)c(C(F)(F)F)c1 13566580 DCGMLKCZSBZHSL-UHFFFAOYSA-N 438.859 2.528 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 13843062 GZDSZIXUBAULAU-NSHDSACASA-N 441.303 2.526 0 40 IFAB COc1ccc(C(=O)NCc2nnc(S[C@@H](C)C(=O)NC3CCCCC3)n2C)cc1 13956402 AUXYIQCVSORMCD-AWEZNQCLSA-N 431.562 2.683 0 40 IFAB Cn1c(CCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)nc2ccccc2c1=O 14237686 WOFJNRZYXIXPKH-UHFFFAOYSA-N 447.564 2.820 0 40 IFAB Cc1noc(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 14250135 SYFCAFFMMOXGSY-UHFFFAOYSA-N 429.901 2.550 0 40 IFAB CCOc1cc(C(=O)OCc2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1 14704887 NQFUBGJRXNUIKC-UHFFFAOYSA-N 429.469 2.689 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 16187560 WXNRPBFHRTYWRU-UHFFFAOYSA-N 446.569 2.806 0 40 IFAB CCOC(=O)C1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 16476332 YFNVELJNAYFVMB-UHFFFAOYSA-N 443.466 2.756 0 40 IFAB C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 16890849 GXMXZFHDALWQHQ-MRXNPFEDSA-N 425.460 2.706 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)ccc21 17522030 GWSDATIGIZBCJB-FQEVSTJZSA-N 428.489 2.536 0 40 IFAB O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19337776 HDRMLWYVKCSTPO-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccccc1S[C@H]1CCS(=O)(=O)C1 19471695 QPCUUESIGWRBJD-HNNXBMFYSA-N 446.550 2.856 0 40 IFAB COCCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738857 OXSPAADNQQRHRH-HXUWFJFHSA-N 436.556 2.968 0 40 IFAB OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCCC2)[C@@H]1O 20464689 NGOPKELIGFTSCU-NAVOZUGXSA-N 432.511 2.552 0 40 IFAB biogenic,in-vitro COc1ccc(OC)c([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)c1 32856017 QWXKFDCCKWQPQB-KRWDZBQOSA-N 439.555 2.852 0 40 IFAB COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c(OC)c(OC)c1OC 35326607 BGKQQJIPNGIZAA-QGZVFWFLSA-N 427.409 2.818 0 40 IFAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)[C@H]2C(=O)O 35880508 MGSFTDAWOKSRAH-JFTQMJAMSA-N 426.473 2.575 0 40 IFAB COc1ccc(Cc2nnc(NC(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)s2)cc1 44892020 IHYKJZQESWVPPU-MRXNPFEDSA-N 437.481 2.866 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)NCc1ccc(F)cc1 57426521 UXNFIBFDPRYYSG-UHFFFAOYSA-N 441.459 2.868 0 40 IFAB CCN(CC)C(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O 57503229 PGYAZPPRHGLASW-UHFFFAOYSA-N 426.864 2.735 0 40 IFAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1)C2=O 60211188 QIWAUTYWKSJSSY-DMZKTXOQSA-N 433.553 2.855 0 40 IFAB C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 95946686 BOASFWLWROAXTH-MRXNPFEDSA-N 440.560 2.958 0 40 IFAB CC(C)Cn1c(CNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 96222847 CVNBOAFKBPGBMF-LJQANCHMSA-N 433.512 2.839 0 40 IFAB biogenic CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc(OC)c1 139111094 QAUQKLLMAGBFJF-GDBMZVCRSA-N 425.489 2.612 0 40 IFAB COc1ccc(-c2noc(CNC(=O)c3ccc(CN4CCCC4=O)cc3)n2)c(OC)c1 219233437 CFLJXSGLSXPCQI-UHFFFAOYSA-N 436.468 2.806 0 40 IFAB CC(C)Oc1cccc(CCCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 219667908 PYMRFGPVULSQJA-UHFFFAOYSA-N 430.526 2.757 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223074528 SXCHZHOAUKGJMO-HXUWFJFHSA-N 445.585 2.623 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(F)ccc3OC)n2)c(OC)c1 223782768 ILNFREOKYUOCOB-UHFFFAOYSA-N 437.449 2.722 0 40 IFAB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1NS(C)(=O)=O 225416209 GNNLRDGHIRGISR-MOPGFXCFSA-N 443.554 2.967 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 225422418 WDGLCEPOEGRLTC-HNNXBMFYSA-N 448.541 2.988 0 40 IFAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NCc3ccco3)n2)C1 225911921 WAXRIAUSESJVOK-IYBDPMFKSA-N 430.578 2.875 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257202512 AMELWWFURHWRLW-PLTDPWNSSA-N 447.535 2.875 0 40 IFAB COCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC 408557342 MUJZHQFCBMPMMD-UHFFFAOYSA-N 426.922 2.615 0 40 IFAB COC1(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CCN(S(C)(=O)=O)CC1 1889208813 DXSNSIMBWHTPCY-UHFFFAOYSA-N 428.982 2.709 0 40 IFAB COC[C@H](C)n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc2c1=O 2628346 DOJBMILZXLGWJQ-HNNXBMFYSA-N 425.510 2.582 0 40 IFAB C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 2636661 RUCDLLPAFORGMI-OAQYLSRUSA-N 442.313 2.801 0 40 IFAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 2985963 JSNKWIHGHGUCHB-AUWJEWJLSA-N 447.241 2.915 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](CC)(c3ccc(F)cc3)C2=O)c1C 3280681 CNSDVESLNFIRSR-QFIPXVFZSA-N 429.448 2.987 0 40 IFAB O=c1c2ccccc2nc(SCc2cc(=O)n3ccsc3n2)n1C[C@H]1CCCO1 3533989 OXHZMELUEPSKCP-CQSZACIVSA-N 426.523 2.937 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1=O 8754765 UQIUBLSZUPKZOD-HYBUGGRVSA-N 437.496 2.833 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)Nc1cccc2ccccc12 9001013 JKZOBVUOKABFPB-UHFFFAOYSA-N 437.459 2.793 0 40 IFAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)n1 9465599 YULCGZYRPBWRLW-XMMPIXPASA-N 443.511 2.962 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC(C)CC3)CC2)cc1C 9466185 XOXUWUAEEUXJRK-UHFFFAOYSA-N 436.574 2.506 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1 9492625 PATBHHFJMBNDLQ-UHFFFAOYSA-N 434.495 2.762 0 40 IFAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)CC1 9939275 QGPWDXWANNDABS-HNNXBMFYSA-N 440.500 2.685 0 40 IFAB CC(C)CNC(=O)CSC(Nc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973858 KRBHYPUVUCZSQC-UHFFFAOYSA-N 438.937 2.519 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 10444852 WVMAMEGJQJHWLD-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB Cn1c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 11327828 NBHZBDMQGUSSHV-UHFFFAOYSA-N 442.541 2.543 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CC1=O 11865991 PUINMVYWUHPRNM-GFCCVEGCSA-N 445.522 2.700 0 40 IFAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)CCc4nc5ccccc5oc4=O)C3)cc2n1 12134474 GXYWTQVOQLCMJQ-HNNXBMFYSA-N 433.468 2.584 0 40 IFAB CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC(C)(C)N1 12755657 HMTMYBZHYCCSKK-UHFFFAOYSA-N 425.570 2.652 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1sccc1S(=O)(=O)N1CCCCC1 12807863 ZDYKLYCDPPRWLE-OAHLLOKOSA-N 436.555 2.835 0 40 IFAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 12903887 JELRKUXARNKAJD-OAHLLOKOSA-N 435.933 2.578 0 40 IFAB O=C(CSc1nnnn1C1CCCCC1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13406414 XMSRRQLDERHOAS-QGZVFWFLSA-N 428.518 2.564 0 40 IFAB COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1S(=O)(=O)N(C)C 15591252 ASCYSVQJICGLKJ-UHFFFAOYSA-N 437.949 2.561 0 40 IFAB CNS(=O)(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)cc1 15669636 XQVXBCNNOMANSF-UHFFFAOYSA-N 430.486 2.615 0 40 IFAB CCCn1nnnc1NC(=O)COc1c(C)cc(Br)cc1Br 17098296 UEEGZHKBWWSTAN-UHFFFAOYSA-N 433.104 2.934 0 40 IFAB Cc1cc(C(=O)N2CCC[C@@H](c3cc(O)nc(C4CCN(C(=O)C(C)C)CC4)n3)C2)on1 19119803 BJWQZSNAIAOSBA-QGZVFWFLSA-N 441.532 2.860 0 40 IFAB Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19234504 FFUCCAFLGOLPSU-HSZRJFAPSA-N 444.597 2.724 0 40 IFAB Cc1sc2ncn(CC3(O)CCN(C(=O)CCN4CCCC[C@H]4C)CC3)c(=O)c2c1C 19561345 BDOJSHWKRJNBFW-MRXNPFEDSA-N 446.617 2.693 0 40 IFAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)COC(C)C)n1 19700962 YHCPWCPRXKPNPC-HNNXBMFYSA-N 429.496 2.561 0 40 IFAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccc(Oc4ncccn4)cc3)C2)nc1C 19763583 KGHXZVANYAHUQM-KRWDZBQOSA-N 432.484 2.747 0 40 IFAB O=C(NCCN1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 19990941 RGFIAZUOKREUTG-HSZRJFAPSA-N 425.554 2.523 0 40 IFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 20976400 DTFPCDRYFISSNZ-UHFFFAOYSA-N 443.496 2.823 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)cc1S(=O)(=O)N(C)C 21806339 NFYFNBJYZLTPFX-UHFFFAOYSA-N 440.525 2.534 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O)cc1 23806071 DTDBGYQUSAITSW-HSZRJFAPSA-N 441.484 2.594 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 25413168 AIQCLBAMLXOMSL-PBHICJAKSA-N 448.416 2.995 0 40 IFAB CCCCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2C1=O 25562510 YQMGEEXVRVVWDV-LJQANCHMSA-N 441.553 2.948 0 40 IFAB O=C1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H](c3cccs3)C3CCCC3)c2)CCN1 32397800 RXEAECFKUYXRGX-HXUWFJFHSA-N 447.582 2.530 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c1)[C@@H]1CCCO1 32769415 HGZNVPSTZSCTOE-FQEVSTJZSA-N 425.460 2.541 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C1=O 32842854 KRQOGLBZMYLNQS-LBPRGKRZSA-N 439.493 2.721 0 40 IFAB CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2n2cc(C(=O)OC)nn2)cc1OC 40152707 ALAPHQASDQISHO-CJXWSEAPSA-N 428.489 2.785 0 40 IFAB COc1cc(Br)ccc1NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O 40268439 RQLDPQYXASDOFX-UHFFFAOYSA-N 448.273 2.824 0 40 IFAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(OC)cc1)CC(=O)N2 40390477 QEJGZXVOGCBZPE-ZBFHGGJFSA-N 425.489 2.612 0 40 IFAB Cc1cc(C(=O)N2CCN(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)CC2)no1 44452411 CCYISECVZDSDFQ-UHFFFAOYSA-N 432.524 2.767 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 44912198 OXGFVRUFVGYLTF-LJQANCHMSA-N 432.498 2.646 0 40 IFAB COc1ccc(C2=NC(C)(C)N(CC(=O)N3CCN(c4ccccc4F)CC3)C2=O)cc1 71327837 HHRMUXDAHVRIJE-UHFFFAOYSA-N 438.503 2.551 0 40 IFAB O=C(CN1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1)N1CCCC1 72356002 CYFWVHBDRDCXNW-KRWDZBQOSA-N 427.570 2.785 0 40 IFAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 79098239 CNFPCTAJPZPUPH-UHFFFAOYSA-N 436.534 2.708 0 40 IFAB CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)CC2 89891066 KUGBFFQAWGCLSG-QFIPXVFZSA-N 446.544 2.959 0 40 IFAB CCN(CC)[C@@H](CNC(=O)CN1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccco1 89967787 WHNLKQQFOAPZBF-PMACEKPBSA-N 442.608 2.976 0 40 IFAB COc1cccc(N2C[C@H](C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)c1 96103759 UFFKRHKTBPUYRH-CQSZACIVSA-N 436.434 2.957 0 40 IFAB COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](CC(C)C)c3nnc4ccccn34)n2)c1 96117200 FTQGYCMTQVAHRC-FQEVSTJZSA-N 446.511 2.865 0 40 IFAB Cc1nc2cc([C@H]3CCCN(C(=O)[C@@H](C)n4ncc5ccccc5c4=O)C3)nn2c(O)c1C 100723865 UGXANAPKZAVVSK-AEFFLSMTSA-N 446.511 2.729 0 40 IFAB COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 113943820 PAHBNCXAZYYWOT-UHFFFAOYSA-N 436.486 2.617 0 40 IFAB O=C(CNS(=O)(=O)c1cccc(Cl)c1)NC[C@@H]1CCCN1c1nc2ccccc2o1 206772203 QAKFVTFRFDRRAA-HNNXBMFYSA-N 448.932 2.545 0 40 IFAB CCOc1cccc(CNC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)c1 219192516 LSKIIBWXHKMOHL-UHFFFAOYSA-N 446.525 2.930 0 40 IFAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 219260673 ZEDQAJXOCWCOOH-MRXNPFEDSA-N 446.554 2.857 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)CC1 222551185 QZUGTXKLMBJHAN-UHFFFAOYSA-N 445.585 2.899 0 40 IFAB COc1cc2ccccc2cc1C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224245267 MXURKQNWMDUKAK-UHFFFAOYSA-N 428.510 2.908 0 40 IFAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224318849 RNMUSJLIIJMKIN-UHFFFAOYSA-N 429.524 2.943 0 40 IFAB COc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 224347634 KAPLTTZVHLEYFM-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224387282 YUUNSYDYAXOAGU-HXUWFJFHSA-N 448.560 2.995 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@H](C(=O)NCc3ccco3)[C@H]3C=C[C@H]2O3)c1 245230775 YNYNFYUQBFGBCL-NCYKPQTJSA-N 426.469 2.902 0 40 IFAB O=C1N[C@H]2OCCC[C@H]2[C@H](c2cccc(CNC(=O)c3cc(-c4cccnc4)[nH]n3)c2)N1 257282749 OVCTZWXMFDCFNZ-XJABCFGWSA-N 432.484 2.508 0 40 IFAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C1=O 408549594 VKFVSBFHNPKIJI-CXUHLZMHSA-N 444.827 2.683 0 40 IFAB COc1cc(C)c(NC(=O)Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1C 408567616 OXXJFFFEHVLWTC-UHFFFAOYSA-N 449.507 2.947 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Cl)c1 408636855 UZFHIRDKBKJDRZ-UHFFFAOYSA-N 433.313 2.936 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c(OC)c1 408654540 KAVJKNLXMHCPSA-CYBMUJFWSA-N 432.860 2.892 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408658721 LOTDTXQBEBXWEK-VUKUWZNJSA-N 425.268 2.506 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 409025526 WNQZAAPCJSZKJY-UHFFFAOYSA-N 444.553 2.992 0 40 IFAB COc1ccc(CN2CCC(NC(=O)c3c(-n4cnnn4)sc4c3CCC4)CC2)cc1 524734509 LMRRFCSGXLRWGV-UHFFFAOYSA-N 438.557 2.616 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ncn(-c4ccccc4)n3)C2)cc1 537852188 YCKTWELNZNZEOT-IBGZPJMESA-N 425.558 2.766 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)o2)c1 575611847 YJDQJNQZNMXMCS-AWEZNQCLSA-N 437.495 2.815 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3cnc4ccccc4n3)C2)c(C)c1 618255673 VRKNNJZEXRUIBY-KRWDZBQOSA-N 426.498 2.739 0 40 IFAB Cn1nccc1CCC(=O)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643559808 BTFKKLGIKNPAGW-RUZDIDTESA-N 438.572 2.883 0 40 IFAB COc1cc(C(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc(OC)c1OC 2087044435 QQLQTTJIKKSPHD-CALCHBBNSA-N 438.528 2.508 0 40 IFAB COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(Br)c2)CN=3)cc1 2332429 SGVZBZXVAONXDS-MFOYZWKCSA-N 430.327 2.565 0 40 IFAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2 2975234 PYPPJAJZRSWFSY-UHFFFAOYSA-N 441.465 2.613 0 40 IFAB Cc1cc(C)n2c(CNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)nnc2n1 8720236 TUBSEJABQXAKJR-UHFFFAOYSA-N 442.526 2.533 0 40 IFAB Cc1cc(NC(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)ccc1Br 9450023 JROLIDHZAAXODO-UHFFFAOYSA-N 448.350 2.672 0 40 IFAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCN1C(=O)c2ccccc2C1=O 9461306 UHPUPQUFIHFTLA-UHFFFAOYSA-N 442.541 2.593 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)C1=O 9465565 IBSUYQZEVZGBIO-JOCHJYFZSA-N 441.415 2.553 0 40 IFAB Cc1cc(C)c(NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(C)c1 9513122 XBXMGBDQSKWIBJ-UHFFFAOYSA-N 435.571 2.759 0 40 IFAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)c(OC)c1 9519293 CKARQEZBZAONMU-HNNXBMFYSA-N 441.532 2.748 0 40 IFAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807153 NMDNXAPACJQBRB-FQEVSTJZSA-N 443.569 2.828 0 40 IFAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(c2ccc(F)cc2)CC1 9962871 PRRJKZJRJHHREM-UHFFFAOYSA-N 443.500 2.860 0 40 IFAB Cc1ccc2nc(COC(=O)[C@H](C)SCC(=O)Nc3ccc(F)cc3)cc(=O)n2c1 9981996 RNABFRZYAVTFOY-AWEZNQCLSA-N 429.473 2.946 0 40 IFAB COc1cccc(CNC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c1 10186685 LFKOEZBHHQDKHF-UHFFFAOYSA-N 436.537 2.592 0 40 IFAB Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCCC1 10275791 KTASAYHOHOJIGZ-GOSISDBHSA-N 430.526 2.739 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1cccc(NS(C)(=O)=O)c1 10547426 OXEOCPOYEDSKKL-SFHVURJKSA-N 437.949 2.782 0 40 IFAB CCOc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)cc1 12072165 JIQMJRIGPFSHJV-UHFFFAOYSA-N 445.523 2.707 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3-c3cc(C)no3)CC2)cc1 12087325 LSFOKZLRTWNFAA-UHFFFAOYSA-N 429.502 2.900 0 40 IFAB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(C(=O)CCc2ccco2)CC1 12133024 QRMSBDUGZNKCPE-UHFFFAOYSA-N 440.525 2.874 0 40 IFAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)NCCN2CCCC2)C1 12163008 KDIZNYQYEANHKF-WIOPSUGQSA-N 440.588 2.719 0 40 IFAB COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12687631 NHEYOQGVLAJTRE-UHFFFAOYSA-N 442.459 2.790 0 40 IFAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](CO)CCSC)c(C)c13)CCC(C)(C)O2 12902884 IKBVPIYXELGFRC-AWEZNQCLSA-N 449.569 2.986 0 40 IFAB biogenic Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 12919742 LFHFDOVAGXGHRP-AWEZNQCLSA-N 448.317 2.796 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 12985050 AHQXKFJHYDKIRS-GOSISDBHSA-N 438.557 2.544 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCSc2ccccc21 12991630 ONQOWZNCAPNZRE-LJQANCHMSA-N 432.567 2.983 0 40 IFAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 13003859 JLVHDVJPZMJNFU-SECBINFHSA-N 431.850 2.824 0 40 IFAB CC(=O)N1C(=O)c2ccc(Oc3cccc(N4C(=O)c5cccnc5C4=O)c3)cc2C1=O 13955234 BHLNKDVFGVJWAS-UHFFFAOYSA-N 427.372 2.817 0 40 IFAB Cc1nc2sc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)c(C)c2c(=O)[nH]1 16097231 VUYAJQMSWFVZPI-UHFFFAOYSA-N 437.380 2.718 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(CNC(C)=O)s3)C2=O)cc1 16680263 KHFLPMASZPTEEA-QFIPXVFZSA-N 443.525 2.519 0 40 IFAB CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)cc1 17315290 UJSZRPFAYZALSH-UHFFFAOYSA-N 435.509 2.926 0 40 IFAB C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@@H](C)O1 18090113 XUFWPLOWDHKXCA-ISTVAULSSA-N 446.139 2.953 0 40 IFAB COc1ccc(OCCN2CCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 18121354 VJIUFSXWJHAQGN-UHFFFAOYSA-N 437.540 2.588 0 40 IFAB COc1cccc([C@]2(C)NC(=O)N(NC(=S)NCCSc3ccccc3)C2=O)c1 18144179 CWAQCGAYPOLEIX-FQEVSTJZSA-N 430.555 2.634 0 40 IFAB CCCn1nnnc1COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccs1 18274937 YUNOUXOVEXPPGZ-UHFFFAOYSA-N 431.474 2.771 0 40 IFAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)CCC2 18822322 LARGUFJNDXLRAX-UHFFFAOYSA-N 432.567 2.733 0 40 IFAB Cc1nn(CC(=O)N2CC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c(C)c1C 19556381 VQLDMXSZSNDQEA-VWLOTQADSA-N 431.540 2.817 0 40 IFAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694134 SCTLJBJGWQRIPC-QGZVFWFLSA-N 426.546 2.511 0 40 IFAB COc1ccc(CN2CCC[C@@H](N3C(=O)C4(CCN(CC(C)C)CC4)N=C3O)C2)cc1 19699760 UDEBDODHKIRRGI-HXUWFJFHSA-N 428.577 2.906 0 40 IFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1ccccc1Cl)CC2 19710315 PLQOEQOIIMXPMJ-CQSZACIVSA-N 435.981 2.728 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19738967 ORVFXEYLKRPWHU-SFHVURJKSA-N 448.502 2.616 0 40 IFAB Cc1ncc(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)c(C)n1 19741630 RICPBCCQHOKTBZ-GOSISDBHSA-N 434.544 2.901 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19742032 OUALMFYZFUODGQ-HXUWFJFHSA-N 448.502 2.964 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)nc2c1CC(=O)N2Cc1ccccc1 19744347 APCBMCVMHWFQMU-HXUWFJFHSA-N 443.507 2.550 0 40 IFAB Cc1nn(-c2ccccn2)c2nc(C3CCN(C(=O)[C@@H](C)N4CCCC4=O)CC3)ccc12 19744626 YWNUNTWHPKGXTQ-QGZVFWFLSA-N 432.528 2.841 0 40 IFAB CCOC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 19816538 WEPWGHLDFICIKA-ZDUSSCGKSA-N 442.497 2.709 0 40 IFAB CCOCCCNC(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 19936195 KEJJUGJBRXOBGL-NRFANRHFSA-N 434.558 2.990 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 19942465 ITZJTVPTVPCBFV-UHFFFAOYSA-N 428.539 2.853 0 40 IFAB C[C@@H]1[C@@H](NC(=O)c2cncnc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@@H]12 20467219 AHYOULLZEJFZLK-QLLKMDCOSA-N 430.593 2.949 0 40 IFAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 20490203 CAJDELSMBHJZMD-PMACEKPBSA-N 435.634 2.713 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1C 23053406 JCCXSBDDAJKINS-LJQANCHMSA-N 444.553 2.660 0 40 IFAB Cc1cc(C)n(CCCNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)n1 23246783 QXHHKCAFJSBGMP-UHFFFAOYSA-N 432.571 2.860 0 40 IFAB O=C(NCc1ccccc1)C1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 23444974 VEUOAZDKGYGPOI-UHFFFAOYSA-N 441.915 2.620 0 40 IFAB COc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C 29090709 ZHHDRUXRKHDUES-INIZCTEOSA-N 435.590 2.615 0 40 IFAB COc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl 31246380 NOZLZMRUWARMFE-UHFFFAOYSA-N 426.922 2.844 0 40 IFAB COc1ccc(CN2C(=O)[C@@H](CCC(=O)NCCc3c[nH]c4ccccc34)N=C2O)cc1 36589717 LIZJLMHXOZUDLM-OAQYLSRUSA-N 434.496 2.940 0 40 IFAB biogenic COC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 39588674 WUMQUCVYFDHDPD-BJMVGYQFSA-N 429.425 2.694 0 40 IFAB CCOc1cc(=O)c(C(=O)N2CCc3ccccc3C2)nn1-c1cc(OC)cc(OC)c1 49407618 YWLHYOFMOFQFQL-UHFFFAOYSA-N 435.480 2.847 0 40 IFAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cccnc1Oc1cccc(Br)c1 58425540 UUSJUAWMOHDZML-LBPRGKRZSA-N 425.304 2.801 0 40 IFAB O=C(Cn1nc2c3c4c(sc3ncn2c1=O)CCCC4)NCc1ccccc1Cl 64945709 XTBDEBAPFKFCRI-UHFFFAOYSA-N 427.917 2.954 0 40 IFAB O=C(CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1)N1CCCCC1 72275236 ARYMYBAONQMVCQ-AREMUKBSSA-N 446.595 2.947 0 40 IFAB Nc1c(N(Cc2ccco2)C(=O)/C=C\c2ccco2)c(=O)[nH]c(=O)n1Cc1ccccc1 96579124 KLXSIAYVLIYSSL-KHPPLWFESA-N 432.436 2.600 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21)Nc1cccc(F)c1 102001598 LHBZJKUSTCADTK-CVEARBPZSA-N 446.236 2.520 0 40 IFAB Cc1cccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)c1 219226031 JCVCUZDIOAETFZ-UHFFFAOYSA-N 426.498 2.959 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)c1 222569717 VYDCHWUEDDVDRR-OAHLLOKOSA-N 436.505 2.907 0 40 IFAB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc2c(c1)CCC2 223232394 XNAVKLHKCSXIQP-GOSISDBHSA-N 441.597 2.744 0 40 IFAB COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224877270 CPOMSTLMENUTAO-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB O=C(N1CC[C@](O)(CN2CCN(c3ccccc3)CC2)C1)C1(c2ccccc2)CCOCC1 257324813 WQHCGMCEDMVSSJ-SANMLTNESA-N 449.595 2.520 0 40 IFAB C[C@@H](O)CN1CCN(CCOc2c(Br)cccc2Br)[C@H](C)C1 501971756 AFBNMUZGVSOTRG-CHWSQXEVSA-N 436.188 2.977 0 40 IFAB CNc1ncc(CN2CCC3(CCCCc4ccccc4OCCN(C)C3=O)CC2)cn1 643562574 RLHRIGYLPFJDHA-UHFFFAOYSA-N 437.588 3.364 0 40 IFAB CC(C)(C)c1ccc(OC[C@H]2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)nn1 1888916686 XFXVBZDRVBSWSD-ZDUSSCGKSA-N 432.502 2.711 0 40 IFAB COc1cc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc(OC)c1OC 881663 QPAAPYOPTCVKPY-UHFFFAOYSA-N 426.292 2.997 0 40 IFAB COc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(=O)NCc2ccco2)n1 1358055 JSHNKNFGKXAEMG-UHFFFAOYSA-N 432.440 2.510 0 40 IFAB COCCCNC(=O)c1cc2ccc(OC(=O)c3cc4ccccc4oc3=O)cc2oc1=O 1810955 NJBONPVRGBVEQG-UHFFFAOYSA-N 449.415 2.885 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 1853210 VXFJYXUZANRPDJ-TZMRYXNNSA-N 430.545 2.773 0 40 IFAB in-man C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3521540 PQHXUPPMCXPBIH-CYBMUJFWSA-N 439.493 2.555 0 40 IFAB COc1cc(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)ccc1OCc1ccccc1 8752164 QWRBUMALBNFJPE-UHFFFAOYSA-N 445.475 2.594 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc(C(C)(C)C)cc2)c1 9125849 FXXWDDUUHTYRDK-UHFFFAOYSA-N 448.541 2.795 0 40 IFAB O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(c2ccc(F)cc2)CC1 9209313 KAXXNXFLBSFXPP-UHFFFAOYSA-N 437.924 2.882 0 40 IFAB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCSc1ccccc1 9253267 BEBVMXYSLCDHGQ-QGZVFWFLSA-N 449.623 2.755 0 40 IFAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 9782203 BPSFFQBAZIGMHP-UHFFFAOYSA-N 430.526 2.791 0 40 IFAB Cc1ccc(N2C[C@H](C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)CC2=O)cc1 9963802 ZTJDURDJLWKEJG-MRXNPFEDSA-N 432.484 2.911 0 40 IFAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 9974515 AWXMNUUGIDGHNF-GOSISDBHSA-N 432.542 2.729 0 40 IFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)c(Cl)c2)C1=O 12006080 KZVOHINKRKNKNE-NSHDSACASA-N 436.873 2.676 0 40 IFAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)Cn3ncc4ccccc4c3=O)C1)O2 12237053 HXOALEUUPMJLFI-JPYJTQIMSA-N 431.492 2.978 0 40 IFAB CC(C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12510708 QYKWWTJKUYJSME-UHFFFAOYSA-N 427.910 2.503 0 40 IFAB COc1cc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc(OC)c1 12554975 QXAYBJOTJIQCCX-QFIPXVFZSA-N 439.512 2.922 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc1OC 12560944 RVUIVZYOXBPSBJ-UHFFFAOYSA-N 434.514 2.850 0 40 IFAB C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 12622618 OGSGQUWTIPJURQ-ZCFIWIBFSA-N 431.663 2.907 0 40 IFAB NC(=O)c1c(NC(=O)CSc2nnnn2-c2cccc(F)c2)sc2c1CCCC2 12696356 HOHAFWUMEBUYLJ-UHFFFAOYSA-N 432.506 2.571 0 40 IFAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1 16643786 WPLYITIFAYBOAY-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB CC1(C)C[C@@H](CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C(=O)O1 19460909 QXZYVBHPTYPYJK-YIYPIFLZSA-N 429.443 2.536 0 40 IFAB CCCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502874 POORQWXIZARNGZ-FQEVSTJZSA-N 437.569 2.946 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2Cc1ccccn1 19740992 UHFSEHSFUPNIAK-OAQYLSRUSA-N 448.571 2.809 0 40 IFAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c1 21464963 BQQQBCXPOGHTNT-UHFFFAOYSA-N 439.541 2.803 0 40 IFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 22251611 ISTQHRKDUIIDPP-UHFFFAOYSA-N 437.949 2.707 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 28694703 HHIYSFANADXIPI-UHFFFAOYSA-N 432.933 2.765 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1ccccc1 29144486 IWSDMRVYJYFOGI-QHCPKHFHSA-N 434.540 2.988 0 40 IFAB CCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)N2CCN(Cc3ccco3)CC2)c1C 36621511 GHUXPVRAQFKDNZ-UHFFFAOYSA-N 447.486 2.791 0 40 IFAB CC(C)[C@H](NCc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)OCCCO2 49581020 NKAOOHKEBSWGDZ-QHCPKHFHSA-N 436.512 2.530 0 40 IFAB O=C(c1cnccn1)N1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 69948890 MQKSDXYBHVFXDN-UHFFFAOYSA-N 439.535 2.735 0 40 IFAB COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)c1OC 77200435 FQMJMCPSNXITGW-SFHVURJKSA-N 437.500 2.990 0 40 IFAB Cc1c(S(=O)(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cnn1-c1ccc(F)cc1 79094627 ZPQDXEPDEDWRGM-UHFFFAOYSA-N 442.394 2.654 0 40 IFAB CC(C)[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccn1 95476259 ACDMYHXMDIVJOI-FQEVSTJZSA-N 429.952 2.908 0 40 IFAB O=C1N[C@@H](CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)Nc2ccccc21 96114521 QOUSMPRZGWWVJL-FQEVSTJZSA-N 431.496 2.800 0 40 IFAB biogenic C[C@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@@H]3N2Cc2ccnc(N3CCOCC3)n2)C1 100116715 POIHGVMYUKNCST-JLMWRMLUSA-N 435.576 2.601 0 40 IFAB O=C(NC1CCCC1)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 199426558 UWHTURPAVYUGFM-JOCHJYFZSA-N 435.524 2.570 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1c2ccccc2C[C@@H]1C 223185968 BZWHIIWIUAACKP-KRWDZBQOSA-N 444.553 2.627 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCCC3)c2)cc1 224284501 BCIJHAWKXCZPFY-UHFFFAOYSA-N 431.558 2.736 0 40 IFAB COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1 224879592 QESGRNQZADJAIQ-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB CCN(CC)CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccc(OC)cc2O1 247956630 OPPOWRYJUILWOL-MBBIILEFSA-N 429.561 2.798 0 40 IFAB Nc1ccc(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1 257307497 SYWSDIPQBZNHEI-IBGZPJMESA-N 427.892 2.876 0 40 IFAB CNc1nc([C@@H]2CCN(C(=O)Cn3c(C)cc4ccccc43)C2)nc2c1CN(C(C)=O)CC2 257322750 WHGAWVJZIOCMPM-LJQANCHMSA-N 446.555 2.702 0 40 IFAB CCOCc1ccc(C(=O)N2CC[C@H](c3nc4c(c(NC)n3)CN(C(C)=O)CC4)C2)cc1 257323339 WJTKYRJLDBGNSB-IBGZPJMESA-N 437.544 2.589 0 40 IFAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OCC 409072574 CRYSMIMHLSUNDS-SEJMYLSOSA-N 437.470 2.625 0 40 IFAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ncccn3)n2C)C(C)C)cc1 409175102 PVBWXRSVCWWGKH-QGZVFWFLSA-N 439.545 2.771 0 40 IFAB CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1 511280395 YXJJXIAVBPRDRU-UHFFFAOYSA-N 429.542 2.764 0 40 IFAB Nc1c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cnn1-c1ccccn1 559395793 CPXLDKXJNIRBDR-UHFFFAOYSA-N 433.516 2.916 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 618119889 CZZPXCQCCADTOE-SFHVURJKSA-N 430.516 2.623 0 40 IFAB Cc1ncnc(C(=O)NC[C@H]2CC[C@@H]3CN(C(=O)NC(C)C)c4ccccc4CN23)c1C 1565555774 HEBANERNXRKYOV-WOJBJXKFSA-N 436.560 2.794 0 40 IFAB O=C(C1CCC1)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1 1325203 KNDPCSYJDNXPCQ-HNNXBMFYSA-N 426.908 2.722 0 40 IFAB Cn1c(=O)c2c(nc(NCCc3ccc(F)cc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 1409293 XKLDGJZYUINLFV-UHFFFAOYSA-N 441.894 2.929 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 2889315 NBFOIWUHSGFVNS-LLVKDONJSA-N 435.571 2.506 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)NCc1ccc(F)cc1 3372732 LUBSLTVVRKFKCK-UHFFFAOYSA-N 436.395 2.688 0 40 IFAB CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c1c(=O)n(C)c(=O)n2C 6162145 PZOQFGGWTOCBKV-UHFFFAOYSA-N 429.546 2.581 0 40 IFAB CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 6602793 MRJCDQUETUPUAL-UHFFFAOYSA-N 427.570 2.996 0 40 IFAB COc1cccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 9253017 NNUFKMDFFDQSQE-QFIPXVFZSA-N 433.464 2.540 0 40 IFAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1cn2ccccc2n1 9284267 VBWDEPLCNCWXAS-UHFFFAOYSA-N 427.404 2.765 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CSc1nc2ccccc2o1 9449037 XBCOYURHTAPHSK-OAHLLOKOSA-N 448.570 2.751 0 40 IFAB CC(C)CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9465280 ULZNSELRDPFZCU-GOSISDBHSA-N 448.614 2.909 0 40 IFAB O=C(CCCN1C(=O)c2ccccc2C1=O)NN1C(=O)c2cccc3cccc(c23)C1=O 9540110 BKJHGRJOJNWCFS-UHFFFAOYSA-N 427.416 2.543 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCCCCC3)CC2)c(C)c1 9583162 OGSNVUUNOKWTDE-UHFFFAOYSA-N 449.617 2.628 0 40 IFAB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 9632892 MJLGLMAGJDHEEE-UHFFFAOYSA-N 441.864 2.540 0 40 IFAB COCCn1cc(C(=O)NCCc2ccccc2OC)c2nn(-c3ccccc3)c(=O)c-2c1 9661578 PQCRYSIRIHVELZ-UHFFFAOYSA-N 446.507 2.766 0 40 IFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9702608 VMLFEBRNVPWLHG-UHFFFAOYSA-N 448.405 2.535 0 40 IFAB CCCn1c(=O)n(CCC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c2ccccc21 9905852 QLIVODQELACOEG-UHFFFAOYSA-N 435.528 2.941 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)cc12 9961763 WQBZPRXENYLZAU-UHFFFAOYSA-N 430.844 2.711 0 40 IFAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)c32)cc1C 12228809 ORJQWORDWQQWEL-UHFFFAOYSA-N 445.479 2.553 0 40 IFAB CN(C(=O)CSC[C@H](O)[C@@H](O)CSCC(=O)N(C)c1ccccc1)c1ccccc1 12414114 FVVYERYGDIUBDS-PMACEKPBSA-N 448.610 2.501 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1 12443549 YREZOYLVQNQESD-UHFFFAOYSA-N 441.513 2.596 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCCCc2cccnc2)c1 12543696 BKVWGLTUFJXOGC-UHFFFAOYSA-N 427.320 2.884 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(SCc3cn4cc(Cl)ccc4n3)nc2)CC1 12547291 HJJYUAUMRBQSMN-UHFFFAOYSA-N 437.978 2.611 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 12564045 AUIRYQCUHCHVKI-GOSISDBHSA-N 426.536 2.996 0 40 IFAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12764334 PFODPUHKUVBZBO-UHFFFAOYSA-N 437.468 2.508 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2)cc1C 13037908 OYVUSRPJLQQWJZ-UHFFFAOYSA-N 430.505 2.999 0 40 IFAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 13148353 ZXSULYURNCHPIY-HXUWFJFHSA-N 440.452 2.862 0 40 IFAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 16442466 GGUPZKPDTKCBIA-HNNXBMFYSA-N 449.960 2.751 0 40 IFAB CC(=O)NCC(=O)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19021267 ARQXLJHNTZNTPN-LBPRGKRZSA-N 437.447 2.929 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[nH]c(=O)c2C1 19239451 YBLZJYVMYQWYCS-DYESRHJHSA-N 447.539 2.692 0 40 IFAB COc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3cn(C)nc3C)CCNC2=O)cc1 19583542 UWDHEAZZPIEXAE-HXUWFJFHSA-N 432.524 2.835 0 40 IFAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 19739442 XGGZUJFBCCSIEE-QGZVFWFLSA-N 446.548 2.585 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CC(=O)N2CCCc1ccccc1 19743751 YJRHXOHDLFLCCM-FQEVSTJZSA-N 435.572 2.575 0 40 IFAB CCN1CCN(C(=O)C[C@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)CC1 19936213 SZEVXHCCQOTCTB-JOCHJYFZSA-N 445.585 2.611 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 20013622 YVILDFHPCZLQCG-OAHLLOKOSA-N 436.530 2.600 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 20024586 OOSGNYHSSHBNMW-QGZVFWFLSA-N 432.542 2.526 0 40 IFAB O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(Cc2ccsc2)CC1 23846493 FGBCKSKLUHJAAA-UHFFFAOYSA-N 439.990 2.800 0 40 IFAB C[C@H]1Cc2cc(-c3csc(CC(=O)NCc4ccco4)n3)ccc2N1S(C)(=O)=O 26163068 PQDNWCDSXKZMRV-ZDUSSCGKSA-N 431.539 2.973 0 40 IFAB O=C(CSc1nc2ncccc2c(=O)n1C[C@H]1CCCO1)Nc1ccc(F)cc1F 32927125 XIDFAGXCXGXHCY-CYBMUJFWSA-N 432.452 2.980 0 40 IFAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](CO)CCSC)c(C)c13)CCC(C)(C)O2 36569704 IKBVPIYXELGFRC-CQSZACIVSA-N 449.569 2.986 0 40 IFAB biogenic CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38855655 WDFONURMDMOLRD-FOIQADDNSA-N 445.541 2.689 0 40 IFAB NC(=O)CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 40012716 PCJXFNNSVCFEOU-UHFFFAOYSA-N 435.933 2.647 0 40 IFAB COc1ccc(C(=O)Nn2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 40392021 UXWKUODNNKAQKW-UHFFFAOYSA-N 444.426 2.946 0 40 IFAB O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 43942851 TYJNAWVULQICAU-BQYQJAHWSA-N 429.904 2.617 0 40 IFAB C[C@H](C(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)n1cccn1 48301311 DYLDDMOORDLZDR-QZTJIDSGSA-N 438.532 2.949 0 40 IFAB COc1ccc(C)cc1NC(=O)CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1 57520311 RJIXXAXEAYAGCM-UHFFFAOYSA-N 438.513 2.602 0 40 IFAB COc1cc(/C=C/C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)ccc1OCC(N)=O 58177838 AMZYXYGNVSXJEX-PKNBQFBNSA-N 446.463 2.859 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(-c3ccc(=O)[nH]n3)c1)C2=O 62580353 QHMYISDXHPOZEJ-QKFKETGDSA-N 437.500 2.512 0 40 IFAB CN(C)c1cc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)nc(C2CCNCC2)n1 72370120 IZJWYRIBULBGRP-UHFFFAOYSA-N 437.997 2.625 0 40 IFAB CCn1cc(S(=O)(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)cn1 83843596 JAWQCKJMGLQLOW-UHFFFAOYSA-N 447.521 2.514 0 40 IFAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2cccc(C)c2)CC3)C1=O 96144451 AWJPWQUFKKLZGH-DEOSSOPVSA-N 441.576 2.845 0 40 IFAB CC(C)[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1nc(-c2cccnc2)no1 100685006 UASLOHAFSWCJBV-JZXOWHBKSA-N 425.489 2.510 0 40 IFAB Cn1/c(=N/C(=O)CSCC(=O)N2CCCC2)sc2cc(Br)ccc21 100825411 DLEKMTHJUIYBDZ-VLGSPTGOSA-N 428.377 2.785 0 40 IFAB O=C(Nc1ccc2nccnc2c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420997 IBHJRNCYMYGFMY-XWPMNIEDSA-N 438.487 2.987 0 40 IFAB CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 113944617 IZRNKYZGQODKAC-AWEZNQCLSA-N 448.416 2.746 0 40 IFAB COc1ccc(N(CCCC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 223340845 DRIWRXDBVKSWMA-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB CC(C)OC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 252516746 WJWHJJCWHNPKTH-GVVDHYSOSA-N 430.545 2.772 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 408593429 QGJCARXAQWDDEV-GOSISDBHSA-N 436.505 2.633 0 40 IFAB COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)cc(I)c1OC 409190363 XPEMCZIJWMJYPP-WDZFZDKYSA-N 447.254 2.953 0 40 IFAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1Cl 409410755 PJQWCDUUECZBNO-UHFFFAOYSA-N 435.933 2.787 0 40 IFAB O=C([C@H]1CCCN1C(=O)Cc1ccccc1)N1CCN(c2ncnc3sccc23)CC1 516758314 TWUZSKGHKGMTSQ-LJQANCHMSA-N 435.553 2.574 0 40 IFAB CCn1cc(CC(=O)Nc2cccc3c2C[C@@H](C)N(C(=O)Cc2cnn(CC)c2)C3)cn1 551658966 HUKHGDXJCZPPSB-QGZVFWFLSA-N 434.544 2.817 0 40 IFAB O=c1c(Br)c(NC2CCN(Cc3ccccn3)CC2)cnn1-c1ccccn1 565821811 TWQMBEBJAGDBQX-UHFFFAOYSA-N 441.333 2.862 0 40 IFAB C[C@H]1COCCCCC2(CCN(C(=O)c3ccccc3Cl)CC2)C(=O)N[C@@H](C)C(=O)N1 643565249 VOTQXUOTUHAQLG-IRXDYDNUSA-N 449.979 2.772 0 40 IFAB Cc1nc(N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)c2cnn(C)c2n1 1775973585 OMTOHYVWPRWNJX-UHFFFAOYSA-N 433.491 2.951 0 40 IFAB CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 1848354220 CLNBAIVCDNMRMD-HBFSDRIKSA-N 434.462 2.875 0 40 IFAB CC(=O)N1CC[C@H]2CC[C@@H](CN(Cc3cccnc3)Cc3ccccc31)N2S(C)(=O)=O 2037949670 NYCYXKLPJGOBKC-YADHBBJMSA-N 442.585 2.633 0 40 IFAB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 628665 BQGUHADDQZWHHU-UHFFFAOYSA-N 425.913 2.594 0 40 IFAB CC(C)NC(=O)Cn1c2ccccc2n2c(SCC(=O)N3CCc4ccccc43)nnc12 1325938 ZTEDUIXVIZIJJM-UHFFFAOYSA-N 448.552 2.890 0 40 IFAB Nc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)s1 1438047 PUCHHMPRVSQBGE-UHFFFAOYSA-N 425.131 2.771 0 40 IFAB Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 1840031 PDGCOTSISBGQNA-UHFFFAOYSA-N 437.279 2.574 0 40 IFAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C 8694148 PLDAYNFWZVTSDN-CQSZACIVSA-N 427.288 2.923 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)CC2 8764215 JLGRAVVWNHTBJG-ZDUSSCGKSA-N 427.457 2.527 0 40 IFAB biogenic C[C@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)CCCC2 8772355 WWIVNMYYXVGIMV-LMKMVOKYSA-N 433.508 2.972 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCn2c(C)nc3ccccc32)cc1 9379512 YYGFAQUVBMIHBT-OAQYLSRUSA-N 426.542 2.623 0 40 IFAB O=c1cc(CSc2nnnn2-c2cccc(F)c2)nc2ccc(Br)cn12 9665889 GFPZJVOIULRXMJ-UHFFFAOYSA-N 433.266 2.864 0 40 IFAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(OC)cc3)nc1=O)CCC2 9745453 PAQVPAHNDIZBJR-UHFFFAOYSA-N 430.574 2.813 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 9808630 MSHSDNDYNIMBIQ-UHFFFAOYSA-N 447.542 2.751 0 40 IFAB CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337361 UDDDWKBLWKXNML-UHFFFAOYSA-N 435.546 2.976 0 40 IFAB O=C(NCc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 10962355 YQFAZAPZXWNLDG-UHFFFAOYSA-N 443.504 2.874 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnnn2Cc2ccco2)sc2c1CCCC2 11675303 GHPROFUZDANFGL-UHFFFAOYSA-N 433.515 2.772 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 12528492 ZEXTTXWCMJORGS-IBGZPJMESA-N 449.429 2.770 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 12793873 IUSZGJURWRLKBI-SFHVURJKSA-N 431.558 2.732 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@@H]1c1ccc(OC)cc1 13039343 PHKWQCLAICURPS-IRLDBZIGSA-N 434.500 2.999 0 40 IFAB C[C@]1(C(=O)N(CCc2ccccc2)CC(=O)NC2CCCC2)CC(=O)N=C2C=CC=CN21 13082989 GVBPOQJLZYWRGZ-RUZDIDTESA-N 434.540 2.590 0 40 IFAB COc1ccccc1N1CCN(C(=O)CCSc2nc(Cl)nc3nc[nH]c23)CC1 13549567 HMEHPXJHTINNMH-UHFFFAOYSA-N 432.937 2.846 0 40 IFAB COC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)sc2c1CCC2 14066281 FXIQZAJXFBWVCK-UHFFFAOYSA-N 431.514 2.541 0 40 IFAB CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@H](C)C3)c2C)cc1 14092921 CKCBOMDTJUKYBP-AWEZNQCLSA-N 441.575 2.556 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 14201350 UULGVLYMBAJSNG-JOCHJYFZSA-N 440.503 2.923 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838724 YQNKJFUWTXLSGE-UHFFFAOYSA-N 430.438 2.678 0 40 IFAB Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 17012285 ONKMWGBGOKTMJA-UHFFFAOYSA-N 436.604 2.797 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)c4ccc(F)cc4)nn3c(O)c2C1 19017946 MQFFGHOAXXBQJQ-FQEVSTJZSA-N 437.475 2.846 0 40 IFAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(C)c1 19645081 LHMFEQTZLOEJKF-UHFFFAOYSA-N 446.598 2.512 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1 19694567 UEXLQAFOZBTESJ-QGZVFWFLSA-N 433.553 2.869 0 40 IFAB CCN(CC)C(=O)CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697718 RGKJWOCRXGSURH-GOSISDBHSA-N 445.585 2.615 0 40 IFAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(NC)n2)CCN(C(C)=O)C3)cc1 19707516 IATRESKBVGUAOR-NRFANRHFSA-N 437.544 2.937 0 40 IFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)CCCc1ccccc1)CC2 19710314 XDGQCUVCOUGBBT-IBGZPJMESA-N 443.617 2.648 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 19741288 OWWMFMGEVLDKSX-SFHVURJKSA-N 446.511 2.976 0 40 IFAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 19819176 IHVLPRVSDFFIDL-MRXNPFEDSA-N 426.400 2.993 0 40 IFAB COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCc2ccccc2C1 20083597 LRJFBRJFALXONJ-QHCPKHFHSA-N 444.539 2.926 0 40 IFAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1=O 20725861 FSGJDXIASQZYRM-HNNXBMFYSA-N 425.876 2.980 0 40 IFAB Cc1ccc(CCC2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)cc1 21128236 YZXYYZISTFFHHK-UHFFFAOYSA-N 445.585 2.829 0 40 IFAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC1CCCCCC1 22249186 GHYHCZUGPLBEKO-UHFFFAOYSA-N 430.954 2.579 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22793305 QNDKTQQMYGTOLE-UHFFFAOYSA-N 438.553 2.801 0 40 IFAB NC(=O)c1ccc(C(F)(F)F)n(Cc2nnc(-c3ccccc3Br)o2)c1=O 23107581 RPBGSLMWBJTBRN-UHFFFAOYSA-N 443.179 2.827 0 40 IFAB Cc1cc(N2CCN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)nc(C(C)C)n1 26556884 SIVSMXKZNXVXJO-FQEVSTJZSA-N 437.544 2.988 0 40 IFAB O=c1n(CCN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccn12 26912709 BYFXHYIHFXCKHE-UHFFFAOYSA-N 440.857 2.776 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 30853919 BGHPFHBSPVKUOR-QGZVFWFLSA-N 442.541 2.742 0 40 IFAB O=C(Cn1nnc(-c2ccco2)n1)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 32788468 NXXYVSXPGKFWFE-UHFFFAOYSA-N 437.485 2.532 0 40 IFAB CCOC(=O)COc1ccc([C@H](C)NC(=O)c2cc(OC)c3c(c2)OCCO3)cc1OC 32921917 PXUBUOUCBCYHMG-AWEZNQCLSA-N 445.468 2.908 0 40 IFAB NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc(I)c1 34920830 OUNCECNGHNDLNW-UHFFFAOYSA-N 425.251 2.517 0 40 IFAB C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)O1 35590510 GFSZOSHYKVOEGF-HZPDHXFCSA-N 447.499 2.525 0 40 IFAB Cc1nn2c(nnc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccc(Cl)cc1 40396048 UWVONMOIWTUUOD-UHFFFAOYSA-N 431.843 2.847 0 40 IFAB CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3ccc(C)c(C)c3)ccc2=O)CC1 41255004 DIVYZAAQTBHHPI-UHFFFAOYSA-N 426.517 2.654 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)s1 48237148 YSLREWNJBXUUQB-UHFFFAOYSA-N 436.603 2.545 0 40 IFAB CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(COCC(F)(F)F)cc2)C1 58405650 XYFFPZQUHSNVCE-KRWDZBQOSA-N 444.450 2.639 0 40 IFAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)NC2=O)c1 64965737 HKWASDMZBGYUHG-UHFFFAOYSA-N 447.944 2.757 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@H]3[C@H]4C=C[C@]5(CN(C(C)C)C(=O)[C@H]35)O4)CC2)nc1C 72340171 PCNUZSSDYQQJGY-SCYDXJQRSA-N 443.569 2.551 0 40 IFAB NC(=O)[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 95957697 USPCLRNPSGESII-SJORKVTESA-N 436.281 2.573 0 40 IFAB COCCOc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)cn1 96005574 IKTINIQLHGPZRO-QGZVFWFLSA-N 438.406 2.831 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn12 96156814 NSQAMNODLXLZFP-JOCHJYFZSA-N 447.587 2.574 0 40 IFAB COc1cccc(-c2ccc(=O)n(CC(=O)NCCCc3nc4ccccc4n3C)n2)c1 96230711 YVZAHCJJELLUJN-UHFFFAOYSA-N 431.496 2.555 0 40 IFAB Cc1ccc(C(=O)NC[C@H]2CC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)CC2)c(=O)n1C 100223558 UVSOYWXZXFXSLO-FCEWJHQRSA-N 442.585 2.954 0 40 IFAB CC(C)(CC1=Nc2ccccc2S(=O)(=O)N1)CC1=Nc2ccccc2S(=O)(=O)N1 102036953 JUMIPXSKRYRHOC-UHFFFAOYSA-N 432.527 2.837 0 40 IFAB C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1cccc(Cl)c1 102640336 LOQBAPSGARVXSQ-LRYPYJCESA-N 427.884 2.898 0 40 IFAB CCN1C[C@H](CN(C)C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)Oc2ccccc21 107088982 QYPPQAAZABUNQX-FPOVZHCZSA-N 438.507 2.650 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 225272803 IHCKUZQWLQXICE-LJQANCHMSA-N 430.526 2.572 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1C 257205679 BACVIOMJIWAAMS-UHFFFAOYSA-N 440.529 2.896 0 40 IFAB Cc1nonc1C(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)n(C)n2)C1 257313935 UUSNLXPOGJDYIA-SFHVURJKSA-N 431.880 2.600 0 40 IFAB Cc1occc1C(=O)N1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3ccncc3)C2=O)C1 306140677 VALZOCGHQNLAES-GBXCKJPGSA-N 433.512 2.765 0 40 IFAB Cc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c(C)c1 408624994 HMNLFKCASMZXPR-JXMROGBWSA-N 441.597 2.927 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 409142451 LMGOEXAFDFASOH-INIZCTEOSA-N 447.557 2.874 0 40 IFAB C[C@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)C(=O)Nc1cccc(N2CCCC2)c1 510581838 AJSKUFMVWAIDOG-INIZCTEOSA-N 436.516 2.965 0 40 IFAB CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2nn(-c3cccc(F)c3)cc2O)cn1 570810731 XQXSAPPTMKUAFM-UHFFFAOYSA-N 441.444 2.559 0 40 IFAB CNC(=O)[C@@H]1CN(C(=O)C2(c3cc(C)cc(C)c3)CCOCC2)CCN1Cc1ccccc1 585261848 XSTLSVYMHWGBSW-DEOSSOPVSA-N 449.595 2.811 0 40 IFAB CC[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCCC2)C1 1513542195 BQQFJEFAYRHRQT-QHCPKHFHSA-N 430.597 2.933 0 40 IFAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccc(C)cc4)C3)C2)c1 2056226574 VDRBWBFTFMBVDG-VWNXMTODSA-N 428.504 2.819 0 40 IFAB CC[C@H](CO)NS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C 2381897 CGARWUFWLQVPFG-MRXNPFEDSA-N 425.514 2.611 0 40 IFAB COC[C@@H](C)n1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O 2620126 VUYWNIDPTKLZNU-OAHLLOKOSA-N 440.525 2.722 0 40 IFAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)NCc1cccs1 3247242 AYLZUGOIWKGONM-UHFFFAOYSA-N 442.946 2.659 0 40 IFAB COc1ccc(NC(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl 3301706 CPKSYNREEUJGSK-UHFFFAOYSA-N 430.844 2.907 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8399146 PYOYTJDSQGNANU-GTENMVSRSA-N 440.546 2.868 0 40 IFAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 8601324 UAPCAFPPBONTHK-LJQANCHMSA-N 446.912 2.881 0 40 IFAB O=C(Cn1nnc2ccccc21)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 8735719 GHXOCYQARCYBAZ-UHFFFAOYSA-N 429.436 2.729 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCOc1cccc(Cl)c1 8884683 XVCQGTSTCPHEKG-UHFFFAOYSA-N 439.917 2.905 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 8936947 ZLMNOZSBTRANAG-VLIAUNLRSA-N 448.466 2.976 0 40 IFAB COc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)cc1 9327516 LGCCAVOGTSETDJ-UHFFFAOYSA-N 428.489 2.910 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NC[C@H]2CCCO2)s1 9514718 JAUPHXOFFPEHPI-CHWSQXEVSA-N 433.559 2.985 0 40 IFAB O=C(c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CCCCC1 9531777 JODAFRBQBRYVSQ-UHFFFAOYSA-N 430.526 2.953 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1c[nH]c2ccccc12 9579270 DVPCIPOFYDSQQN-GOSISDBHSA-N 428.558 2.932 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1C 9743488 ZYPDZYJOXGFNLP-LJQANCHMSA-N 443.569 2.992 0 40 IFAB CCn1cc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21 9940153 FWGNQDMOURKKKW-UHFFFAOYSA-N 425.441 2.538 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 9958029 ADHCAXZNMBZULE-UHFFFAOYSA-N 436.493 2.547 0 40 IFAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1nc(C)c2ccccc2c1=O 12182390 ZFCJKTNZKDONFP-MRXNPFEDSA-N 449.536 2.585 0 40 IFAB COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 12201031 FZHMBCNSFUEGSN-UHFFFAOYSA-N 442.537 2.992 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)[C@H](C)CC)C(=O)O 12664440 ZRDZGZVFKZGFQP-BODMPHMZSA-N 429.521 2.596 0 40 IFAB biogenic COc1ccccc1-c1noc(COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 12782484 NMVXQSANOKZBKL-UHFFFAOYSA-N 443.481 2.887 0 40 IFAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1cccc(I)c1 12980196 KOMDAXGJASOSLW-UHFFFAOYSA-N 433.271 2.593 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cncc(Br)c3)CC2)c1C 12988510 ITKVZBQQRCDCKO-UHFFFAOYSA-N 431.334 2.857 0 40 IFAB Cn1/c(=N\C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2ccccc21 13037158 ASXAGHFNGQAVGH-LSDHQDQOSA-N 433.530 2.907 0 40 IFAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 13715084 YERMDPLMMXQBQO-IVAOSVALSA-N 445.475 2.909 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)N(C)OC 14180160 YSTRTTVPYBJAFR-UHFFFAOYSA-N 429.292 2.892 0 40 IFAB COC(=O)c1c(NC(=O)COc2ccc(-n3cnnn3)cc2)sc2c1CC[C@H](C)C2 14352368 GNQAEQWUNOWMIH-LBPRGKRZSA-N 427.486 2.653 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc2c(c1)OCO2 14397336 FNMXKIHNKYUTRM-UHFFFAOYSA-N 428.576 2.754 0 40 IFAB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 16024550 YGUKFBBBTVXVDY-VPCSNGCSSA-N 434.334 2.624 0 40 IFAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cccnc2Nc2ccccc2F)cc1 16694838 UYWWNEZBUKYJGS-UHFFFAOYSA-N 431.445 2.848 0 40 IFAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 18047756 JTUQMRDRBAHHMX-SJLPKXTDSA-N 432.480 2.874 0 40 IFAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(C)c1 19079956 OCZJJJAMYZSZBW-UHFFFAOYSA-N 444.582 2.774 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 19553418 WILLQERCGGMVNI-VXKWHMMOSA-N 426.565 2.510 0 40 IFAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc2c1CCCN2C 19706125 CJBCVWGUMHCQTQ-QGZVFWFLSA-N 443.529 2.518 0 40 IFAB O=C(Cn1cccc(C(=O)NC2CCCCC2)c1=O)NCc1ccccc1N1CCCC1 19750540 KUNXEGDGZVUDJZ-UHFFFAOYSA-N 436.556 2.827 0 40 IFAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC 22517747 UHNJAPJQDVYIRG-INIZCTEOSA-N 448.541 2.524 0 40 IFAB C[C@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22933991 LUNKFNFZQSNTSU-QGZVFWFLSA-N 448.489 2.966 0 40 IFAB CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 23458754 QHRLLAGTWQUIKM-UHFFFAOYSA-N 437.487 2.896 0 40 IFAB Cc1nc(COc2cccc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)c2)cs1 24359818 QFPYQOXBRGDGEH-UHFFFAOYSA-N 448.522 2.914 0 40 IFAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c(C)c1 24992732 OZSBVHXKVRVSKN-AWEZNQCLSA-N 436.559 2.778 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC(c2nnc3ccccn23)CC1 32795847 ZOXHYIAMFODKAW-HXUWFJFHSA-N 429.524 2.977 0 40 IFAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2nccnc2C(=O)N2CCOCC2)c1 32926194 SPFZCBOJOYJTRB-UHFFFAOYSA-N 446.467 2.845 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CNC(=O)c3ccco3)c2)cc1 33028265 VICOPCBZEYPSAH-UHFFFAOYSA-N 443.481 2.766 0 40 IFAB Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2cccs2)N3C)cc1 35442464 YMBRFOXEMUZANC-WPYKKVEZSA-N 440.613 2.526 0 40 IFAB biogenic,in-vitro CCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)CC1 35596758 OJTSGDQAKTYCMH-UHFFFAOYSA-N 437.543 2.706 0 40 IFAB O=C(NCCSCc1ccccc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 38755712 ZBNDKXIRGPGDSQ-UHFFFAOYSA-N 434.583 2.512 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 39188185 JHDPPQZTCODYGV-UHFFFAOYSA-N 430.526 2.595 0 40 IFAB COCCn1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 57615808 HARPWFSMMXOBCI-UHFFFAOYSA-N 436.491 2.811 0 40 IFAB CC(=O)N1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CC1 57860206 WVOVUZFNCYFGHK-OAQYLSRUSA-N 427.932 2.762 0 40 IFAB COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)CC2)c1 71282079 VVGQGSUNQDNSLX-UHFFFAOYSA-N 438.915 2.921 0 40 IFAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCc1ccncc1 72327672 FDNUAGCLJCWCKH-QFIPXVFZSA-N 427.888 2.768 0 40 IFAB CN(C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)C1CCCCC1 72329707 RUTGSMCXGSQVLX-UHFFFAOYSA-N 439.472 2.583 0 40 IFAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4ccco4)CC3)n2)CC1 72335956 ZGDJANLTZYJHJR-UHFFFAOYSA-N 432.546 2.729 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 72402967 YAOYOHNSEAHFOY-MRXNPFEDSA-N 426.498 2.874 0 40 IFAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)NCc4nc5ccccc5n4C)C3)nc2)n1 77100764 SBSAZARKFGNCKQ-QGZVFWFLSA-N 431.500 2.860 0 40 IFAB COc1ccc(CN2CC[C@@H](NC(=O)/C=C/c3ccc(N4CCCC4=O)cc3)C2=O)cc1 78813777 MWHPWCXDHBRSQX-MKGTUJQCSA-N 433.508 2.753 0 40 IFAB COC(=O)C[C@H](c1coc2ccc(Cl)cc2c1=O)c1c(O)nc2ccccn2c1=O 96117516 ZJZSWVKNCJMZPM-GFCCVEGCSA-N 426.812 2.855 0 40 IFAB O=C(Nc1ccccc1)[C@H]1Cn2ccnc2C2(CCN(C(=O)Cc3ccccc3)CC2)O1 96262948 IFLSBAWSEZOFOG-OAQYLSRUSA-N 430.508 2.981 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccccc4Cl)[C@@H]3C2=O)cc1C 101171022 GXOALLXTRNDFFN-OALUTQOASA-N 425.876 2.566 0 40 IFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)cc2)s1 139101988 LSYXXCQIFGHVEM-UHFFFAOYSA-N 441.307 2.900 0 40 IFAB COC(=O)C1CCN(C(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)CC1 219165089 WHQVOGICLGLVFY-UHFFFAOYSA-N 448.928 2.927 0 40 IFAB CN1CCN(S(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)CC1 224328472 NDXRHGBCWIEEMK-UHFFFAOYSA-N 446.038 2.682 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c1 224764634 ZJOHABIAYOBONC-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB Cc1ccc(CN(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 224946089 MHDBNTUBBHWDFR-UHFFFAOYSA-N 426.542 2.567 0 40 IFAB CN(c1ccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O 225182773 MZUVADNQRWQLOK-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB COc1ccccc1OC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225528033 HMYIBQYEJLPYPQ-RTBURBONSA-N 446.569 2.988 0 40 IFAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc4c(c3)nc(C)n4C)C2)c2cnccc2n1 257314124 UVKRZSYNVFYSFO-RUZDIDTESA-N 444.539 2.847 0 40 IFAB CNc1cc(C)nc([C@]2(C)CCCN(C(=O)[C@@](F)(Cc3ccccc3)NC(C)=O)C2)n1 257320932 VZIYFNMOUQCAFQ-DHIUTWEWSA-N 427.524 2.751 0 40 IFAB Cc1nc2ccccc2n1CCCC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 257334136 YERPDKLKZILMLS-DHIUTWEWSA-N 445.523 2.623 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(I)c1OC(C)C 409190194 MKWLNLIQSSEUGK-KPKJPENVSA-N 430.242 3.000 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCCOC)C2=O)ccc1OCC(C)C 409210950 LVRPBUPRGHJUJZ-WQRHYEAKSA-N 436.530 2.919 0 40 IFAB COc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2OC)cc1 409234328 ZJOKAITWWMJYIZ-UHFFFAOYSA-N 429.542 2.644 0 40 IFAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CN(c2cc(-n3cncn3)ncn2)C1 575609058 IPIFCBTXNPBSMD-UHFFFAOYSA-N 427.468 2.711 0 40 IFAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 1775965505 AMEBWZLRYACZIS-KRWDZBQOSA-N 449.463 2.553 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928845 PFXCSKLUQZYVDE-CQSZACIVSA-N 431.493 2.539 0 40 IFAB Cn1cc(-c2cnc(OC3CCN(C(=O)c4cccnc4C(F)(F)F)CC3)nc2)cn1 1889215586 ISSJTMVVTYBBIT-UHFFFAOYSA-N 432.406 2.975 0 40 IFAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)Cc5ccccc5)C4)nc32)cc1 1334220 KYIGTZVRWZUOAH-HXUWFJFHSA-N 442.523 2.820 0 40 IFAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@H](CCC(=O)O)C(=O)O 1737611 KITDQPUUEZXMSZ-FZKQIMNGSA-N 439.420 2.662 0 40 IFAB biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 2642568 YQQPKKSVJZOWLX-UHFFFAOYSA-N 449.533 2.602 0 40 IFAB O=C(CSc1nnc2ccccn12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3505668 NQBWVMLZJLFILT-UHFFFAOYSA-N 431.543 2.635 0 40 IFAB COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)ccc3[nH]c2=O)N2CCCC2)cc1 6239815 ZQRGELSKWDOEAX-JOCHJYFZSA-N 446.511 2.765 0 40 IFAB COc1ccc([C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@H]3C23C(=O)OC(C)(C)OC3=O)cc1 8691606 JVYQRNQDQHCNHS-ACRUOGEOSA-N 448.475 2.963 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3)C2)cc1 9349056 CURZPBGLUBZZIK-LJQANCHMSA-N 429.498 2.991 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1 9468131 IQTZQAPVHGAHIJ-UHFFFAOYSA-N 446.554 2.975 0 40 IFAB CN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 9612465 NLCYPUZVHJSPCE-CQSZACIVSA-N 444.534 2.766 0 40 IFAB Cc1cc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 9672698 DKWCSEGHEGZSTA-IAGOWNOFSA-N 434.583 2.830 0 40 IFAB CCc1ccc(Nc2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)cc1 9713769 TUHMJSYRNLBNLB-AWEZNQCLSA-N 426.589 2.582 0 40 IFAB CCn1c(CN2CCc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9754547 GAFJOKCQXRZRSN-UHFFFAOYSA-N 426.542 2.640 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 9807450 BLTVGYJRCPLHQK-FQEVSTJZSA-N 443.569 2.828 0 40 IFAB COc1ccc2nc(N3CCN(C(=O)CS(=O)(=O)c4ccc(F)cc4)CC3)sc2c1 10166295 WNHYJQQFSJRQNY-UHFFFAOYSA-N 449.529 2.567 0 40 IFAB Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2ccc(Br)cc2)no1 11644429 JRQMCSSXUYMHAK-UHFFFAOYSA-N 427.276 2.843 0 40 IFAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031354 MKPVHGGRRVTCKQ-GFCCVEGCSA-N 449.884 2.831 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)Cn3c(=O)oc4ccccc43)CC2)cc1C 12142052 MWUPCUVPUMSJHH-INIZCTEOSA-N 428.510 2.723 0 40 IFAB CCOC(=O)[C@]1(C)N[C@@H](c2sccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 12635641 GOVUQBBUCNXHLN-QNFHRHJVSA-N 428.510 2.837 0 40 IFAB O=S(=O)(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Br)cc1 12652674 OMNKAYOBXPGFGJ-UHFFFAOYSA-N 431.333 2.691 0 40 IFAB O=C(NCCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12994178 VGMPXFOZUIZLCI-UHFFFAOYSA-N 441.912 2.574 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCC[C@H]1c1cccs1 13031639 POHYVSVFKUBAFJ-IBGZPJMESA-N 449.598 2.853 0 40 IFAB CCCn1c(N)c(-c2nc(CC)c(C(=O)c3ccc(OCC)cc3)s2)c(=O)n(C)c1=O 13145923 TWDYVTDQHVXHCJ-UHFFFAOYSA-N 442.541 2.855 0 40 IFAB COc1ccc(Cc2nn3c(SCC(=O)Nc4ccc(C)cc4)nnc3nc2O)cc1 15882077 UUYOIIKLJQNGGX-UHFFFAOYSA-N 436.497 2.864 0 40 IFAB Cc1ccc(NC(=O)NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C 16252468 WGJNCFMCWROZEC-QGZVFWFLSA-N 427.482 2.998 0 40 IFAB O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCc2ccccc2C1 17321836 CZHFVAYJLWGSMQ-UHFFFAOYSA-N 448.504 2.856 0 40 IFAB Cc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2N2CCOCC2)c1 17876349 URVGYGKHDHSQMG-UHFFFAOYSA-N 440.554 2.774 0 40 IFAB Cc1cc(C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)c(C)n1Cc1cccs1 18387734 OTURODGMSIKILM-UHFFFAOYSA-N 438.552 2.963 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)Cc2ccccn2)n1 19700967 GIZDHQOMVQKXHI-MRXNPFEDSA-N 448.502 2.774 0 40 IFAB CCCN1C[C@@H](C(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)CC1=O 19708367 PDJIBQBWXZWJIH-KRWDZBQOSA-N 441.557 2.755 0 40 IFAB Cc1nc2ccc(NC(=O)Cn3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc2[nH]1 19749957 XTDAJQTVJXKCIV-UHFFFAOYSA-N 433.443 2.741 0 40 IFAB CCc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20610580 SWBSFAZGZOBWPV-OAQYLSRUSA-N 432.480 2.519 0 40 IFAB biogenic COc1cc(OC)c(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1Cl 20731259 UZJWBKOWCNGSIS-UHFFFAOYSA-N 433.848 2.723 0 40 IFAB Cn1ncc2c(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ncnc21 21754662 SFZJCPLSCZBQNY-MRXNPFEDSA-N 425.514 2.980 0 40 IFAB CCN(CC)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 21959951 CQGZPJRPQIGNEL-HXUWFJFHSA-N 437.540 2.969 0 40 IFAB CC(C)[C@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1 24758418 QYPDCIZKPHNWTB-QFIPXVFZSA-N 425.529 2.682 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1 24781841 ZTHXEQHOFZJCBO-UHFFFAOYSA-N 433.299 2.697 0 40 IFAB CCOC(=O)C1=C(Cn2cccc(C(F)(F)F)c2=O)NC(=O)N[C@@H]1c1ccc(C)o1 31815030 OWGDSBZSKKQNGY-OAHLLOKOSA-N 425.363 2.640 0 40 IFAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)cc1 32724315 WXVQYNJOOQSKKF-CYBMUJFWSA-N 432.550 2.697 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)N(C)C[C@@H]3COc4ccccc4O3)c(C)n2n1 32739248 FTOOSGOROKAIIU-OAHLLOKOSA-N 427.530 2.694 0 40 IFAB O=C(Nc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)s1)c1ccco1 32833942 YTDXBXIGVXYSSY-SECBINFHSA-N 433.433 2.787 0 40 IFAB O=C(CSc1ccc(C(=O)N2CCCC2)cn1)NC(=O)Nc1ccc2c(c1)OCCO2 32907194 OFSJMLHMQWZDMJ-UHFFFAOYSA-N 442.497 2.529 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 33794375 PYQNOGOBCJMTLB-UHFFFAOYSA-N 437.374 2.576 0 40 IFAB COc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccc(F)cc3F)CC2)c(OC)c1 38488577 VMMSTPQPHOGOLH-UHFFFAOYSA-N 447.482 2.949 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc3c(c1)OCO3)O2 38858810 CXMVXTDFXDKQFS-HXUWFJFHSA-N 446.525 2.556 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O 44837204 ZFFFFMYBTMNIAM-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCS(=O)(=O)c1ccccc1 48275775 KSGRSNAZELXKQF-IOFSEFHDSA-N 446.613 2.934 0 40 IFAB CCOc1ccc(N2C(=O)CN(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55387465 ODAVZGIHVFUFMG-VQTJNVASSA-N 434.945 2.753 0 40 IFAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 61717467 ASNKPJYSRCIXRC-OAHLLOKOSA-N 434.452 2.502 0 40 IFAB O=C(COC(=O)COc1ccc(I)cc1)Nc1ccccc1F 72331000 MVFLJWARARPZLP-UHFFFAOYSA-N 429.185 2.991 0 40 IFAB COc1cc(CC(=O)N2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc(OC)c1OC 72395247 WXKFGNOESDMREH-IBGZPJMESA-N 428.529 2.915 0 40 IFAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 95983354 RISCOOJURKLOBM-KRWDZBQOSA-N 441.347 2.519 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn12 96156802 GDIAAHQXUPXPMJ-OAQYLSRUSA-N 433.560 2.531 0 40 IFAB O=C(CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@@H]1CCC[C@@H]1Cc1ccco1 100740814 AUDRWADRXKYILE-ANTGDGSKSA-N 437.540 2.695 0 40 IFAB Cc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 219014645 SDZZVPUUUAGCBM-UHFFFAOYSA-N 428.514 2.633 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2cccc(C)c2)no1)N(c1ccccc1)S(C)(=O)=O 219088864 DSNFMGXLPIUJPG-GOSISDBHSA-N 428.514 2.906 0 40 IFAB CSc1nnc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)s1 222590118 CNEXEXKQMZARBO-UHFFFAOYSA-N 426.467 2.684 0 40 IFAB CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)s1 224415265 LCBKUKHHQCDDJF-LBPRGKRZSA-N 442.588 2.698 0 40 IFAB CC(C)(C)c1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225253961 DKZRTIGDXRIIFX-GOSISDBHSA-N 432.542 2.706 0 40 IFAB CN(C)c1cccc(C(=O)N[C@@H]2CCOC[C@]23CC(C(=O)Nc2cccc(F)c2)=NO3)c1 306143698 YJSWRPZTZCILHW-NFBKMPQASA-N 440.475 2.564 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 408661282 FNGPCZKHZOXLHX-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB COCCNC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 408679698 JYSIYIOSNYURLZ-UHFFFAOYSA-N 447.557 2.556 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@H]1c1ccccc1 408732758 YIYBCUGPOSQBTO-PHJXOXRPSA-N 434.517 2.916 0 40 IFAB O=C1NCCOCCOc2ccc(C(=O)NCc3ccncc3)cc2Cc2cccc1c2 643572382 AVYZUWKFAQLAAH-UHFFFAOYSA-N 431.492 2.741 0 40 IFAB O=C1CN(S(=O)(=O)c2cccc3cccnc23)CCN1c1ccnc(C(F)(F)F)c1 1775974618 XUDUZAZVXHFVFM-UHFFFAOYSA-N 436.415 2.686 0 40 IFAB O=C(NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Br)cc1 1064806 NHVZXZZUXMPHEW-GXTWGEPZSA-N 432.343 2.745 0 40 IFAB Cc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2c1C 3441334 SXNBQXISYFRTIU-UHFFFAOYSA-N 446.554 2.590 0 40 IFAB CC(C)N(C(=O)CO[C@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21)c1ccccc1 5224176 NJHYYAKMLCLPQN-BWUHRYBWSA-N 435.517 2.841 0 40 IFAB COCCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 6904856 HWZUVYDPGZZKTK-LJQANCHMSA-N 427.457 2.516 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 8883255 KMBYIGCNRINMLR-IBGZPJMESA-N 427.570 2.669 0 40 IFAB CCCC(=O)Nc1ccc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1 9202946 LACGGHPQLNNIBN-UHFFFAOYSA-N 446.554 2.934 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 9262977 MBVIOFDCDQTPDR-PBHICJAKSA-N 433.553 2.714 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3nnc(C4CC4)s3)n2C)cc1OC 9289930 ICKIUAXAYDOGKK-UHFFFAOYSA-N 432.531 2.959 0 40 IFAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1OC 9413229 QAIGOEGJGULXFM-PMERELPUSA-N 429.473 2.972 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 9741005 SKTMTDYBTYZVEK-LJQANCHMSA-N 439.486 2.921 0 40 IFAB CN(C)CCCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCCC2 9747903 FTNPKXUQCITUHR-UHFFFAOYSA-N 444.557 2.533 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5Cl)CC4)ncnc32)c1 9850809 UNSQLOODMMGVJU-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)CC)ccc1OC 10008912 SPSPUUAXWWOYCQ-CQSZACIVSA-N 433.530 2.774 0 40 IFAB O=C(O)CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1 10386497 DUKQPJCDLKIVEO-QGZVFWFLSA-N 438.505 2.931 0 40 IFAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)CCC1CCCCC1)CC2 10705345 IJBMGOVRSAQCEY-UHFFFAOYSA-N 438.590 2.868 0 40 IFAB CCOc1cccc2cc(C(=O)NCCCn3nc(-c4cccnc4)ccc3=O)c(=O)oc12 11745629 XCPONOWSLVHSBX-UHFFFAOYSA-N 446.463 2.631 0 40 IFAB CC(C)n1c(=O)n(CC(=O)c2ccccc2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12220580 FZZCKFUZYSBLRJ-UHFFFAOYSA-N 433.443 2.962 0 40 IFAB CCCCN[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 12549166 UQGGUKNWJRSDIW-NRFANRHFSA-N 431.558 2.777 0 40 IFAB CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)CC1 12579830 VVDGLOYFDRPMCU-UHFFFAOYSA-N 432.590 2.939 0 40 IFAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCC(=O)Nc2ccccc2Br)C1=O 12769268 WZCSQVVZKFYOBV-ZDUSSCGKSA-N 446.301 2.708 0 40 IFAB Cc1cc2oc(=O)cc(COC(=O)CCNS(=O)(=O)c3ccc(F)cc3)c2cc1C 12769429 IHFKRDNMRZZLOZ-UHFFFAOYSA-N 433.457 2.961 0 40 IFAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COc2cccc(Br)c2)C1=O 12874973 HBDNFYDUHOMSDI-BEFAXECRSA-N 437.265 2.795 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 13566397 QMFZMAJHGBOGQC-UHFFFAOYSA-N 432.970 2.681 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 14594886 ANYNMGYDUCWIPR-MRXNPFEDSA-N 426.469 2.786 0 40 IFAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCCc2ccccc21 15186350 GWSGRYQOIVFYHG-KRWDZBQOSA-N 442.537 2.996 0 40 IFAB COc1cc(-c2nnc(CN3CCN(C(=O)c4ccccc4)CC3)o2)cc(OC)c1OC 15514491 PWLWYOMPZABQSH-UHFFFAOYSA-N 438.484 2.720 0 40 IFAB CN(C)c1nc2c(c(Nc3ccccc3)n1)[C@H]1CC[C@@H](C2)N1C(=O)c1ccn(C)c(=O)c1 19290817 PQGDLFBARZSSCP-PKOBYXMFSA-N 430.512 2.887 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)Cn2cncn2)C1 19449299 SFTOFMGJCFQFNE-RUZDIDTESA-N 431.540 2.931 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19572267 VJOYEKRFGMTOKB-UHFFFAOYSA-N 434.525 2.814 0 40 IFAB Cc1nc([C@]2(O)CCCN(C(=O)CN3CCCC3=O)CC2)sc1COc1ccccc1 19705345 LMINZKTWSZMHFR-QHCPKHFHSA-N 443.569 2.853 0 40 IFAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 19709844 POAGBZWDEKHOBR-LJQANCHMSA-N 449.552 2.576 0 40 IFAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)C(C)(C)OC)nc32)c1 19744225 HDSIOFAOGXRQBE-IBGZPJMESA-N 438.528 2.971 0 40 IFAB Cn1ncc2c(SCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)ncnc21 21754666 SFZJCPLSCZBQNY-INIZCTEOSA-N 425.514 2.980 0 40 IFAB COc1ccc(C2=NN(C(=O)Cn3nnc4ccccc4c3=O)[C@H](c3ccco3)C2)cc1 23908981 YOTZLZUXJVRKOM-FQEVSTJZSA-N 429.436 2.771 0 40 IFAB CC(C)(C)NC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 25389363 RQNUYGIOAPCJJI-UHFFFAOYSA-N 432.952 2.987 0 40 IFAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O 32830387 MSYVQNQRGCRWNO-QMHKHESXSA-N 439.468 2.572 0 40 IFAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCCN2CCCCCC2=O)cc1 32902495 AWRBJIRZNPTZPG-UHFFFAOYSA-N 443.573 2.673 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 34857662 MACOFKQOEDUXRW-LJQANCHMSA-N 429.586 2.574 0 40 IFAB NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 34897150 BSDZVEUWMBUJNJ-APSNUPSMSA-N 447.419 2.504 0 40 IFAB COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)ccc1O 35066400 QCKNOIILUDZJLU-VKJFTORMSA-N 428.338 2.644 0 40 IFAB COc1ccc(CNC(=O)Cn2nc(-c3ccc(SC)cc3)ccc2=O)cc1OC 49545128 WVZWRYHNSLIKAC-UHFFFAOYSA-N 425.510 2.966 0 40 IFAB CC(C)n1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)NCc2ccccc2)c1=O 67350256 WJQXUTVNPYXTMY-UHFFFAOYSA-N 435.509 2.579 0 40 IFAB COc1ccc(CCN2C(=O)Cc3c(C)nc([C@H]4CCCN(C5CCNCC5)C4)nc32)cc1 72355733 XQYQPVDWPCHSRN-FQEVSTJZSA-N 449.599 2.857 0 40 IFAB O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC[C@H](O)c1ccc(Cl)cc1 84392971 WIQONHNUKBCYRP-HNNXBMFYSA-N 437.677 2.548 0 40 IFAB Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 89632342 CHHFBXIZFPGDQJ-UHFFFAOYSA-N 437.565 2.771 0 40 IFAB O=C(Cn1nc2c(cc1=O)CCCCC2)NCCn1c(C(F)(F)F)nc2ccccc21 96345158 LSLXXYGJKPGSBP-UHFFFAOYSA-N 433.434 2.697 0 40 IFAB COc1cccc(N2CCN(C(=O)[C@@H]3C(=O)N(C)[C@@]4(C)C[C@H]3c3ccccc3O4)CC2)c1 101368215 UWDNVDPAGAVDFS-UWDQQESISA-N 435.524 2.715 0 40 IFAB C[C@@H]1CN([C@H](CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 106749084 GEEATKIKUODUAU-SIXWZSSISA-N 437.943 2.616 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc(C)ccc1OC 222798312 LPODUPWMNAZIMS-UHFFFAOYSA-N 448.541 2.604 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 223404618 NCXIVPHXTQENAJ-NRFANRHFSA-N 430.501 2.645 0 40 IFAB CN([C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1)S(C)(=O)=O 223908170 XUHQKTPDVRZUDO-HXUWFJFHSA-N 429.542 2.884 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1C 224534205 OMHRDKFFYCRIHU-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)ccc21 225124080 IJLGVSNYWGUPEP-CYBMUJFWSA-N 449.554 2.885 0 40 IFAB COc1cccc(OC)c1CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 226043103 XSLIKZLPPMZSQT-UHFFFAOYSA-N 428.510 2.794 0 40 IFAB O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(CC1CC1)CC2=O)NC1CC1 253397550 FTWJNSLBLBFLEN-ICUQECBGSA-N 437.584 2.981 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257274549 NLNIERPAFVALLM-QGZVFWFLSA-N 428.876 2.935 0 40 IFAB COc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCOCC3)CCN2C)cc1 257289787 QAEGTYRHDQAKQI-HSZRJFAPSA-N 439.556 2.535 0 40 IFAB COc1ccc(C2=NO[C@@](C)(C(=O)N3CCOC[C@H](Cc4nccn5cccc45)C3)C2)cc1 257325405 WSUOIDHWGBQNFB-IQGLISFBSA-N 448.523 2.944 0 40 IFAB CN([C@H](Cc1ccc(I)cc1)C(=O)O)S(=O)(=O)c1ccccc1 260679560 RVBUYLLYNQQVIT-OAHLLOKOSA-N 445.278 2.608 0 40 IFAB O=C(Cc1cc2c(cc1Br)OCCO2)NCCN1CCc2sccc2C1 500957977 CCNACKPYHLBBFQ-UHFFFAOYSA-N 437.359 2.999 0 40 IFAB Cc1nc2ccc(NC(=O)C3CCC(C(=O)Nc4ccc5nc(C)nn5c4)CC3)cn2n1 507186984 IAXYVWPPORBILG-UHFFFAOYSA-N 432.488 2.772 0 40 IFAB CCN1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@@H](NCN[C@H]4N[C@H](C)c4ccccc4)N3)cc2)CC1 604940866 FZKTWZZPPTUYSG-JNRZVTKQSA-N 448.659 2.628 0 40 IFAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(Cc1cccnc1)CC2 643576565 RUBKGGQQUOQUMK-IRLDBZIGSA-N 444.620 2.900 0 40 IFAB C[C@H](CC(=O)N(C)[C@H]1CCCc2c1cnn2C)CC(=O)N(C)[C@@H]1CCCc2c1cnn2C 683448654 FWCJHWMWGNVSRT-PDFPEKILSA-N 440.592 2.942 0 40 IFAB O=C(NCC(F)(F)c1cc(F)cc(F)c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1536796596 HYFYOFARYAQBHL-UHFFFAOYSA-N 444.450 2.717 0 40 IFAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(S(=O)(=O)c3ccccc3)C[C@H]1CO2 1772594439 ADVGAESCTJAUMW-SFHVURJKSA-N 429.542 2.516 0 40 IFAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2NCc2nccs2)[nH]1 2332241882 AJBGEPFJFDTQEG-XWDORNJCSA-N 439.585 2.929 0 40 IFAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 879766 IQPOVGFQAOLJIJ-RTBURBONSA-N 431.558 2.571 0 40 IFAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1nnc(C)c(=O)n1N)oc1ccccc12 2618821 SUSSHZMKAKKLSG-NSHDSACASA-N 425.470 2.688 0 40 IFAB Cc1nc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(Cl)cc1Cl 2632046 UVBSITGXRFQQQV-UHFFFAOYSA-N 446.312 2.743 0 40 IFAB Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCCN(C)C)c(=O)[nH]c2cc1C 4133010 KSVPKEMSGGQVBJ-FQEVSTJZSA-N 430.618 2.952 0 40 IFAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccccc2OC)c1 4712215 XFYPRZXONRXLAB-UHFFFAOYSA-N 425.485 2.793 0 40 IFAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1C 8133060 ABKNJUYHOXECBU-IQMFZBJNSA-N 425.485 2.725 0 40 IFAB COc1ccc(C(=O)Nc2nc3c(s2)CCC[C@H]3C(=O)N2CCC(C(N)=O)CC2)cc1 9101777 JSCMMIANUSTQDU-MRXNPFEDSA-N 442.541 2.548 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCC2)c1 9220658 OZHXOSBSORRUAZ-UHFFFAOYSA-N 431.514 2.698 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C 9302434 IOZHQTNMEMVINW-UHFFFAOYSA-N 446.558 2.809 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C)C[C@H](O)c3ccc(O)cc3)C2=O)cc1 9353126 FAKJLLJZRCFXEZ-FUDBJYBQSA-N 442.493 2.629 0 40 IFAB O=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 9385925 WLCAOTKEAMNEJG-UHFFFAOYSA-N 433.505 2.759 0 40 IFAB COc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1 9518857 ZLYHLNOVGXAXQO-UHFFFAOYSA-N 433.508 2.814 0 40 IFAB COCCN(CCOC)C[C@H](O)COC(c1ccc(OC)cc1)c1ccc(OC)cc1 9550248 PMIOMZKXGWRFAW-NRFANRHFSA-N 433.545 2.766 0 40 IFAB Cc1ccc(C)c(OCCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 9587506 ADYVPTJDJLZQQM-UHFFFAOYSA-N 438.496 2.884 0 40 IFAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9731558 YNQUDYHZVYWBDF-ZDUSSCGKSA-N 428.967 2.662 0 40 IFAB COc1ccc(NC(=O)C2(N(C(=O)Cn3nnnc3N)c3ccccc3)CCCCC2)cc1 9971424 DTXRSLKSPASORU-UHFFFAOYSA-N 449.515 2.639 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 10231932 GWIUCWUFYGTSAI-MRXNPFEDSA-N 440.803 2.560 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(SC)cc2)c1 12039537 MFHVBHAEVJYADQ-UHFFFAOYSA-N 435.571 2.808 0 40 IFAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)c1 12521601 WVGSZLRQUNWDQF-UHFFFAOYSA-N 433.530 2.807 0 40 IFAB NC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1 12747679 UYJXBKSUABTHQC-UHFFFAOYSA-N 441.534 2.846 0 40 IFAB CCN(C(=O)[C@H](C)OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCS(=O)(=O)C1 12847418 AJRMNFKVAOTOAJ-GOEBONIOSA-N 432.542 2.628 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13030356 BZMXZMMZMIROLI-UHFFFAOYSA-N 443.903 2.872 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(F)cc2)cc1 13565492 AHHDJBKGXWXOJC-UHFFFAOYSA-N 429.473 2.741 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc2c(c1)OCO2 14182458 DJTWZGKLQOWIJP-UHFFFAOYSA-N 426.494 2.596 0 40 IFAB O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NCC(=O)Nc1ccc(F)c(F)c1F 14230553 JAXVEMNXPJMUAX-UHFFFAOYSA-N 444.413 2.836 0 40 IFAB CC(C)(C)OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 16207917 PYZRVFNQRZETQR-UHFFFAOYSA-N 431.510 2.932 0 40 IFAB C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)NC2CCCCC2)[C@H]1C(=O)NCc1ccncc1 19576096 LHIFJAYPERTLMM-BPYKYCOYSA-N 434.540 2.864 0 40 IFAB CNc1cc(C(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)ccn1 19692702 NLAHYXOORSLGJF-LJQANCHMSA-N 436.491 2.999 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19739448 DMFDQOJNFVRWRR-LJQANCHMSA-N 442.585 2.836 0 40 IFAB CCc1nnsc1C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 19765783 UBZQOMYAWWQVKU-UHFFFAOYSA-N 428.562 2.770 0 40 IFAB COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(OC)c1OC 20038991 ZKNNBFZCRTZNLI-UHFFFAOYSA-N 428.894 2.667 0 40 IFAB COc1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC 22525696 OZUPIOGRGDXWHQ-UHFFFAOYSA-N 426.922 2.748 0 40 IFAB CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccco3)no2)n([C@@H]2CCS(=O)(=O)C2)n1 22992765 LEACYEJGCAKCGZ-CYBMUJFWSA-N 447.517 2.755 0 40 IFAB C[C@H](NC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)c1ccc2c(c1)CCCC2 23057662 RMJXZOQWYHHCNZ-SFTDATJTSA-N 440.632 2.761 0 40 IFAB COc1ccc(OCC(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)cc1 23139306 IKGCYUBQHQOQID-UHFFFAOYSA-N 442.497 2.565 0 40 IFAB Cc1nc2cc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)ccc2n1-c1ccccc1 32719768 JUEVFICFTAEQGW-UHFFFAOYSA-N 431.540 2.714 0 40 IFAB Cc1cc(CN2CCN(C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)no1 32741381 QMZGBFMHHPKEJG-UHFFFAOYSA-N 446.507 2.857 0 40 IFAB NS(=O)(=O)c1cccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 32895737 CWHINRKWBYJQQK-IBGZPJMESA-N 434.564 2.732 0 40 IFAB O=C(c1ccco1)N1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 35414174 ZFCSVSAVBRUHNQ-LJQANCHMSA-N 439.512 2.562 0 40 IFAB C[C@H](NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(F)cc1 36386004 HORPRMLPRRCONZ-HOTGVXAUSA-N 437.512 2.537 0 40 IFAB COC(=O)C1CCN(C(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[nH]c2=O)CC1 36705188 HUMGOGOHKUSQIH-OAHLLOKOSA-N 429.542 2.886 0 40 IFAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 38850516 AEAAMBCMHJLBBE-UHFFFAOYSA-N 440.525 2.513 0 40 IFAB O=S(=O)(c1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1)N1CCCC1 40119926 KFFKMNICQBPMHP-UHFFFAOYSA-N 444.479 2.800 0 40 IFAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 40129257 QCCXIJGUEKHJPX-OAHLLOKOSA-N 429.970 2.567 0 40 IFAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855578 CIEPDZYIMTZULZ-UZLBHIALSA-N 446.525 2.641 0 40 IFAB Cc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)cc1Cl 49400289 REMUSAKFEGKXSI-KBPBESRZSA-N 428.924 2.974 0 40 IFAB Cc1ccc(Oc2ccc(NC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cn2)cc1 58247418 HXZLCOWYIKSGCB-IAGOWNOFSA-N 448.545 2.743 0 40 IFAB COc1cc(I)c(Cl)cc1C(=O)NCCNc1ncccn1 58377955 OTDLNKPLYAFUKK-UHFFFAOYSA-N 432.649 2.585 0 40 IFAB Cc1nc2ccccc2nc1CS(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 58379656 AENUCVWCEXPYEQ-RDJZCZTQSA-N 425.510 2.882 0 40 IFAB CCn1nc(C(=O)N2CCC3(CC2)CN(C(C)=O)c2ccccc2N3)c2ccccc2c1=O 72327199 FVENJJSMTJJROQ-UHFFFAOYSA-N 445.523 2.870 0 40 IFAB Cc1cc(NC(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)nn1C 72327694 PPPYNWWEHXRFNH-OAQYLSRUSA-N 430.892 2.737 0 40 IFAB CC(=O)c1sc(C2CCN(C(=O)[C@@H]3[C@H]4C=C[C@]5(CN(C(C)C)C(=O)[C@H]35)O4)CC2)nc1C 72340170 PCNUZSSDYQQJGY-PRHHBONVSA-N 443.569 2.551 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N[C@@H]2CCCC[C@H]2C)C(=O)N2CCN=C32)cc1 72347796 GPUJRXWLRDYMAW-DNVCBOLYSA-N 436.516 2.578 0 40 IFAB O=c1c2ccccc2c(CNS(=O)(=O)c2cccc(Cl)c2)nn1CCN1CCCC1 96024237 MQMJCJSSVYNRIJ-UHFFFAOYSA-N 446.960 2.624 0 40 IFAB COCCN1CC2(CCN(Cc3ccc(C)o3)CC2)COc2ccccc2S1(=O)=O 96037176 MQGSEWPCAXZSDP-UHFFFAOYSA-N 434.558 2.900 0 40 IFAB CN1CCC(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 110002393 SGTINKQMMJKEMI-UHFFFAOYSA-N 427.998 2.976 0 40 IFAB CC(=O)O[C@@H]1O[C@@]23CC[C@@]4(O)C[C@@H](O)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13 119192835 RXXZRNNOAJTUSW-ZNVFIQOASA-N 446.540 2.626 0 40 IFAB CCc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 220266342 XWCHILCFAXYUEP-GOSISDBHSA-N 445.585 2.761 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 222662307 NBXHOSBFUPPPDJ-MRXNPFEDSA-N 448.541 2.887 0 40 IFAB C[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)CCC2 223186469 RSNOCPPYJQHGCP-OAHLLOKOSA-N 430.526 2.590 0 40 IFAB CCCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)CC)c3ccccc3O2)s1 223237320 BBXQGMCAZQVXSL-CYBMUJFWSA-N 428.561 2.596 0 40 IFAB COCc1c(C(=O)N(C)[C@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@@H]2O)noc1C 257211838 CAQXHEXPAFIMQQ-AWRGLXIESA-N 443.544 2.579 0 40 IFAB CN1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@H](Cc3cn4ccnc4cn3)C2)CC1 257246570 IUSFXKYKIAQUPF-JOCHJYFZSA-N 447.583 2.702 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 260767872 PQFXTQLDOIBFJO-IBGZPJMESA-N 448.541 2.743 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccccc2C(C)C)Oc2ccccc21 260924430 HRJVJRVTQHNWDQ-OAQYLSRUSA-N 432.542 2.922 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 409228077 ZVNHBLPDWNSHOD-INIZCTEOSA-N 442.965 2.542 0 40 IFAB Cc1ccc(SC2(CNC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CCCC2)cc1 551504039 WKGDUVXDANYLJH-HXUWFJFHSA-N 446.661 2.516 0 40 IFAB O=C1CCCN1[C@H]1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H]2CCOC2)C1 555504816 RDLZEZFNXIHYED-ICSRJNTNSA-N 434.544 2.519 0 40 IFAB CCOc1cc(/C=C2\N=C(C)OC2=O)cc(I)c1OCC(=O)OC 679190 IAXUIXORZZSXBE-SDQBBNPISA-N 445.209 2.558 0 40 IFAB CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 6501425 FFDRXVDSZUZDLW-OAHLLOKOSA-N 429.546 2.699 0 40 IFAB O=c1cc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 6530241 RVHVDNOBWGPJJT-UHFFFAOYSA-N 445.292 2.754 0 40 IFAB CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N3CCOCC3)nn2)cc1 8299262 LIQBUORNQHVQAQ-NNWRFLSQSA-N 437.588 2.812 0 40 IFAB biogenic,in-vitro COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC 9096768 FVCXXEQAENEVOX-RMKNXTFCSA-N 446.525 2.685 0 40 IFAB Cc1ccc(-n2cnnc2SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 9206206 DRJLISHEXGZHKB-GOSISDBHSA-N 448.614 2.935 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(Cl)c(Cl)c3)[C@@H]4C2=O)no1 9340690 DIWBIBLNZXIFIW-WVSUBDOOSA-N 434.279 2.893 0 40 IFAB Cc1cc(C)cc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c1 9435649 WENJVOJPKQCSBG-UHFFFAOYSA-N 443.544 2.879 0 40 IFAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9458014 IHLHTVQPLXQAKC-UHFFFAOYSA-N 447.369 2.979 0 40 IFAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccccc3NC(=O)c3ccco3)nc2c1 9671303 KAPBAJRWXNYFGU-UHFFFAOYSA-N 447.403 2.912 0 40 IFAB CCOc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851699 GFJBFFSIJJAOBG-UHFFFAOYSA-N 443.511 2.631 0 40 IFAB CCCCCn1c(SCC(=O)OCC)nc2cc(C(=O)N3CCOCC3)ccc2c1=O 10433592 KMJPDIGRTWSIMA-UHFFFAOYSA-N 447.557 2.714 0 40 IFAB CC(C)Oc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 10901247 ZZUWDEJHSDFHEY-UHFFFAOYSA-N 425.529 2.699 0 40 IFAB Cc1nn(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1S(=O)(=O)N1CCc2ccccc21 11103363 CKPWFFITMGECEM-HNAYVOBHSA-N 430.574 2.946 0 40 IFAB O=C(Nc1cccc(Cl)c1)NC1(CO)COC(c2ccc(N3CCOCC3)cc2)OC1 12428735 NAYAXETWIGVQAR-UHFFFAOYSA-N 447.919 2.775 0 40 IFAB CCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 12754590 IIFJPBMZTARONN-UHFFFAOYSA-N 445.541 2.628 0 40 IFAB CC(C)n1ncc2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)cnc21 12774758 DPGYMHXUTWUASJ-QGZVFWFLSA-N 431.493 2.943 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(Cl)c1 12936648 ZJDOSGUUSVQHKX-UHFFFAOYSA-N 428.869 2.948 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)C1 13149545 SHUCSWXPQBOWLL-HNNXBMFYSA-N 429.498 2.654 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 13294965 UIYOOOLBNCOVHL-LJQANCHMSA-N 433.505 2.759 0 40 IFAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)N3CCC(C)CC3)c2cc1OC)CCS4 13568147 AEIDZXIONICZOC-UHFFFAOYSA-N 442.541 2.733 0 40 IFAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@H]2CCCO2)CC3)cc1 13696834 YCRCUFCCLVXZDW-OAQYLSRUSA-N 430.526 2.748 0 40 IFAB COc1ccc(C)cc1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14850132 CZHOJHOLNFRNCN-CALCHBBNSA-N 432.542 2.983 0 40 IFAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)CC(C)(C)C)CC1 19451703 VUMLMPLADGCXPD-UHFFFAOYSA-N 445.589 2.931 0 40 IFAB COc1ccc([C@H](CNC(=O)c2ccc(Cn3cnnn3)cc2)N2CCC(C)CC2)cc1 19496807 CUGIPJWLHCLUCM-QHCPKHFHSA-N 434.544 2.933 0 40 IFAB CCOc1ncccc1C(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 19531377 GSQZMRDBFFAIOL-UHFFFAOYSA-N 433.516 2.813 0 40 IFAB Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 19693418 KEVZNHDUOXTYED-GOSISDBHSA-N 434.544 2.955 0 40 IFAB O=C(c1ccccc1)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703301 RAOXFBHRBPYJTI-SFHVURJKSA-N 437.521 2.982 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)CN3CCCC3)CC2)cc1 19756466 XNLKSFMTNNKNPF-UHFFFAOYSA-N 439.560 2.558 0 40 IFAB CCOc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 20768628 NWJQVTSBJIPKGK-UHFFFAOYSA-N 438.571 2.657 0 40 IFAB COc1ccc(C(=O)Nc2nnc(SCc3cc(=O)n4nc(C)sc4n3)s2)cc1 20983489 GAHWQHIQPSWYSF-UHFFFAOYSA-N 446.539 2.864 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccccc2OC)c2c(O)cc(C)n(CC)c2=O)CC1 22696939 BMBQCWGBHBFWPS-OAQYLSRUSA-N 429.517 2.754 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O 23257718 UMGNISCESITPIG-SANMLTNESA-N 448.567 2.640 0 40 IFAB COC(=O)c1ccccc1N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 24925965 QTWLHHKNKAKILF-UHFFFAOYSA-N 434.489 2.676 0 40 IFAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1 28813560 SASZPEMFAAXPBF-UHFFFAOYSA-N 447.900 2.946 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)c(C)c1 30864026 UUEPOHSPIPEEER-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB CCOC(=O)N1CCC(NC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 32802278 SAUZMQZSHDCCJI-UHFFFAOYSA-N 448.833 2.822 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 32900021 PDZJRFWFYJXGHU-UHFFFAOYSA-N 426.897 2.772 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@H]3C)c2)CC1 32969005 VFTPXGHEOWSUJS-DNVCBOLYSA-N 427.998 2.975 0 40 IFAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCn2c1nc1ccccc12 40086696 GHWPFLKLQGZZMZ-XMMPIXPASA-N 429.480 2.772 0 40 IFAB Cc1noc(C)c1CN1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 59894815 FDCACAVXPPPLHU-NRFANRHFSA-N 428.533 2.887 0 40 IFAB CCN1CCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4Cl)c(=O)c3s2)CC1 67225974 GTCNEJBJYZJTHI-UHFFFAOYSA-N 446.964 2.595 0 40 IFAB O=C(CN1NS(=O)(=O)c2ccccc2C1=O)Nc1ccc(OCc2ccccc2)cc1 89836781 YHUWULPRFTXWAR-UHFFFAOYSA-N 437.477 2.553 0 40 IFAB O=C(c1ccc[nH]1)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96145186 JCACWKULCIAXAP-UHFFFAOYSA-N 429.542 2.730 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@@](C)(CC)[C@H]3C2=O)cc1 101261819 XWCNBSANBFCENW-UVARLRKDSA-N 432.523 2.945 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 101444751 YPEQOEBOCSTMRV-ZIGSKRJUSA-N 435.358 2.807 0 40 IFAB Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)NCCc1ccccc1 108892434 CFJCOQZTKIGLSM-UHFFFAOYSA-N 443.960 2.850 0 40 IFAB C[C@H](C(=O)Nc1ccccc1C(N)=O)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220199701 GGNVRLHZZSFYRK-LLVKDONJSA-N 429.420 2.598 0 40 IFAB O=C(c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)N1CCCCC1 225083351 NFBYLQCLCKTNLH-UHFFFAOYSA-N 441.509 2.767 0 40 IFAB COc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 225537719 LBWPOKPSOAFTIX-SFHVURJKSA-N 434.533 2.984 0 40 IFAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(CN2CCOCC2)cc1 257235684 GYXASYQZSGBRKO-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNS(=O)(=O)c4cccnc4)OCC[C@@]31C2 257299078 RORFNOWGIPJVDW-XDACAXMVSA-N 449.617 2.732 0 40 IFAB CCOc1cc(CN2CC[C@@H](Cc3nccnc3-c3ncc[nH]3)C2)ccc1OCC(=O)O 257336472 YOPWKIOGGXHEBZ-KRWDZBQOSA-N 437.500 2.793 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1Cl 260854622 ZXRGVXZUTAJDLF-OAHLLOKOSA-N 440.949 2.836 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 408645875 NADIIQSCUYPRGP-UHFFFAOYSA-N 432.498 2.608 0 40 IFAB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 408671833 VCXDUONKSSYWOD-INIZCTEOSA-N 443.887 2.632 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccccc1OCC 408738779 OFTHPKVIYHPIQE-FNGUVFISSA-N 449.532 2.592 0 40 IFAB CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 614799674 JFDDTZORLILMKC-LBPRGKRZSA-N 437.905 2.644 0 40 IFAB CN1CCC(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCOCCO3)CC1 643585028 YJTNFXFJIFULNV-UHFFFAOYSA-N 437.584 2.848 0 40 IFAB C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 1180728731 HTIMKPRNTAQZQD-ICSRJNTNSA-N 430.302 2.670 0 40 IFAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 5519923 RXEWNYZQGWEPRF-UHOSZYNNSA-N 425.547 2.821 0 40 IFAB CC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 8746813 QALHZFZKIRFCHY-UHFFFAOYSA-N 444.601 2.869 0 40 IFAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 8755124 QDFJLWFQAMVHDW-UHFFFAOYSA-N 444.944 2.981 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 9339181 KCKFTXMFDLVSBW-LLGFUMIMSA-N 444.557 2.605 0 40 IFAB COc1ccc(N(C(=O)c2ccc(OC)c(OC)c2)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 9416102 BHMAQHFYJCNMRD-HNNXBMFYSA-N 433.482 2.679 0 40 IFAB Cc1cc(C)c(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)cc1C 10024011 FMAFUTOEQLTFSY-UHFFFAOYSA-N 430.526 2.757 0 40 IFAB COC(=O)C1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 10542041 SNECXVLIXASPLL-UHFFFAOYSA-N 430.526 2.678 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 10929807 QZMVFVVWVJQKQM-CQSZACIVSA-N 429.498 2.872 0 40 IFAB COc1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)cc1S(=O)(=O)N1CCOCC1 12568023 NLQPETYCJIQZLU-CABCVRRESA-N 446.525 2.853 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)c2snc(C(N)=O)c2N)c1 12709611 UMMNFLUBTZSRMM-UHFFFAOYSA-N 429.546 2.537 0 40 IFAB Cc1cc(C)c(CNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c(=O)[nH]1 12779600 JUTYVZFGZHZVRT-UHFFFAOYSA-N 446.345 2.923 0 40 IFAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O 12848670 MNRLSUJSZRUVCB-UHFFFAOYSA-N 427.299 2.577 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)CC2=O)cc1 12860629 OCYOANJQAUQUSY-NFBKMPQASA-N 439.531 2.931 0 40 IFAB CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)N1 12892330 ORSQOPFGRYPMEL-LRTDBIEQSA-N 432.480 2.735 0 40 IFAB biogenic CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc3ccccc3n2)cc1 12990800 WMEJSPUSUPLJEX-CQSZACIVSA-N 442.497 2.501 0 40 IFAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13410171 CAYUHTIBZSPXHK-GOSISDBHSA-N 435.509 2.961 0 40 IFAB C[C@H]1CN(S(=O)(=O)/C=C/c2ccccc2)CCN1S(=O)(=O)/C=C/c1ccccc1 14101790 AKSWGYWXONXRSV-XFVSVKTISA-N 432.567 2.994 0 40 IFAB O=C(CCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 14228640 GPUCWSKDDHWJFB-JOCHJYFZSA-N 440.565 2.648 0 40 IFAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 14242402 FLEAEFODVDXBAS-UHFFFAOYSA-N 441.465 2.695 0 40 IFAB COc1ccccc1CN1C(=O)[C@@H]2[C@@H](CC(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 15958547 HJECLTDIELNFIK-ZHBILRMLSA-N 433.508 2.662 0 40 IFAB biogenic Nc1nc(SCC(=O)Nc2ccc(F)cc2F)ncc1S(=O)(=O)c1cccs1 16842479 KLJSCVBKRGKFHL-UHFFFAOYSA-N 442.494 2.962 0 40 IFAB COc1ccc([C@H]2C(C(=O)N3CCN(c4ccccc4)CC3)=C(C)Nc3ncnn32)cc1 17096987 XBYDAVHHIRMQKF-QFIPXVFZSA-N 430.512 2.924 0 40 IFAB C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)C(=O)N1CCc2ccccc21 17127689 OWLZIAPEBAFWSL-ZDUSSCGKSA-N 448.928 2.915 0 40 IFAB COC(=O)c1cc(=O)n(Cc2ccc(OC)cc2)/c(=N/Cc2ccc(OC)cc2)s1 17918488 YZFDEGCKTUKBBQ-FCQUAONHSA-N 426.494 2.863 0 40 IFAB COc1cccc(C(=O)N2CCC(c3nc([C@H]4CC(=O)N(C)C4)cc(N(C)C)n3)CC2)c1 19697485 CFIDOVCPUVNUIJ-SFHVURJKSA-N 437.544 2.517 0 40 IFAB CC(C)NC(=O)c1cc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc2ccccc12 19759693 IFQPBXJSXPDELK-JOCHJYFZSA-N 434.544 2.803 0 40 IFAB Cc1nc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)N1CCCCC1 19763207 WFAXJJAGWXKLGX-INIZCTEOSA-N 428.562 2.686 0 40 IFAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2cccc(Cl)c2)n(C)c1=O 20029388 COLBYAUGEIQCEY-UHFFFAOYSA-N 449.942 2.694 0 40 IFAB Cc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(N)=O)cc1 23138509 BCWBWUBYKZTSGB-UHFFFAOYSA-N 426.473 2.790 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC)cc3)CC2)cc1 23652271 KJXRDLRIVKDFDN-UHFFFAOYSA-N 446.569 2.854 0 40 IFAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 24681475 SOBNMUUQFXUNJF-LJQANCHMSA-N 430.530 2.875 0 40 IFAB Cc1ccc2[nH]c(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3N(C)C)nc2c1 24760013 YIXPTOZNMHIZOD-UHFFFAOYSA-N 447.586 2.918 0 40 IFAB CC(C)(C)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 25159407 YPIZAWHZBHKPTP-ZDUSSCGKSA-N 428.514 2.634 0 40 IFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1csc(-c2ccccc2)n1 25540746 NYZXOGCYAONLSG-UHFFFAOYSA-N 442.493 2.967 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 25707636 TXJJGTCVOASABR-UHFFFAOYSA-N 444.534 2.806 0 40 IFAB Cn1c(=O)c2ccccc2n2c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)nnc12 25785577 OJRZHFXAFUZIGZ-UHFFFAOYSA-N 442.445 2.922 0 40 IFAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccccc2F)CC1 27502006 CPHOXFBKWWTULN-KRWDZBQOSA-N 449.523 2.714 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nc3ccccc3s2)C(C)C)cc1 30972761 BYVRYJSNPKPMRE-IBGZPJMESA-N 433.555 2.924 0 40 IFAB NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2Cl)c2ccc(F)cc21 32074515 OZZNOXKVXIMOJC-OAQYLSRUSA-N 439.834 2.775 0 40 IFAB COc1ccc(-c2nnn(CSC)c2C(=O)Nc2ccc(C(N)=O)cc2)cc1OC 32611815 YECANMQQOFVNKV-UHFFFAOYSA-N 427.486 2.634 0 40 IFAB C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 32863158 NUZNEFMXHOKLTM-MRXNPFEDSA-N 429.542 2.755 0 40 IFAB Cc1cc2oc(=O)cc(COC(=O)C3CCN(c4ccc(C(N)=O)cn4)CC3)c2cc1C 32873902 XGWPANKJMBAPHA-UHFFFAOYSA-N 435.480 2.864 0 40 IFAB COc1ccc([C@@H]2C[C@H](c3ccccc3)N=C3N=C(NC(=O)CCCC(=O)O)NN32)cc1 38198251 YIXCZMTVSHQVTK-MOPGFXCFSA-N 435.484 2.785 0 40 IFAB O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 43943905 XGLAUPNPUQHMMJ-UHFFFAOYSA-N 442.447 2.553 0 40 IFAB CC(C)n1c(=O)c2nscc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O 49403880 LPCXWEWVZFYLSQ-UHFFFAOYSA-N 441.282 2.741 0 40 IFAB Cc1cc2nn(CC(=O)Nc3cccc(F)c3)c(=O)n2c(N2CCc3ccccc3C2)n1 57505962 ANLCAHMXROKDRA-UHFFFAOYSA-N 432.459 2.540 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)c1 57506655 MSTMMPDKBGYCAX-UHFFFAOYSA-N 431.496 2.712 0 40 IFAB O=C(Cc1cccc(O)c1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 58055464 DMPBLTZQAOYIKY-UHFFFAOYSA-N 429.325 2.775 0 40 IFAB Cc1[nH]c2c(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)cccc2c1C 58433345 SLDWBKYNJGOYGI-UHFFFAOYSA-N 427.526 2.736 0 40 IFAB CCCN(CCC)C(=O)Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O 67208237 XVAYPLAJMSUNAK-UHFFFAOYSA-N 432.322 2.969 0 40 IFAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)c1C 67322512 HNLLJIKGGPODEB-UHFFFAOYSA-N 425.420 2.696 0 40 IFAB CCCCN(C)c1ccc(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1 84744355 JMVFRROKFQHLAU-UHFFFAOYSA-N 448.518 2.797 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(N)c3)CC2)cc1OCC 95944669 OSUVOONCNJAVNU-UHFFFAOYSA-N 447.557 2.603 0 40 IFAB O=C(CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@@H](c2ccccc2)C1 96231236 KVSHUPBYHDXQIB-VQTJNVASSA-N 425.460 2.626 0 40 IFAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)C3CCN(C(=O)C4CC4)CC3)C2=O)cc1 97986020 IHDRGQGKEFYGJI-XMHGGMMESA-N 441.553 2.796 0 40 IFAB COc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1N1C(=O)CCC1=O 222833953 NZSJROBFKIZABR-UHFFFAOYSA-N 448.566 2.869 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc2c(c1)CCC2 223196034 CYAPSQHRZRWRSW-JKSUJKDBSA-N 444.553 2.978 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224109514 OBXMAODIOIUUDE-HXUWFJFHSA-N 449.548 2.535 0 40 IFAB C[C@H]1Cc2ccccc2N1CCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224808448 VREOPXDOHITAJZ-ZWKOTPCHSA-N 445.585 2.807 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(F)c(C)c1 225605677 UGXMGMIKYXGUII-UHFFFAOYSA-N 428.507 2.728 0 40 IFAB COc1cccc(OC)c1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 226072145 VLDZZNFLJUJHTL-UHFFFAOYSA-N 432.542 2.729 0 40 IFAB Cc1noc(CCC(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)C4)C2)n1 257215135 COWAWVWALBCDOW-GOSISDBHSA-N 446.511 2.514 0 40 IFAB Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)CCN3C(=O)CCCC3=O)n2)nc1 257332700 XYHYFKLWDWMLSW-IBGZPJMESA-N 449.511 2.630 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn12 306134582 NSQAMNODLXLZFP-QFIPXVFZSA-N 447.587 2.574 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)c1 408557282 GHECLWLKSUOFQF-LJQANCHMSA-N 444.553 2.689 0 40 IFAB O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)NC1CC1 408989992 UVTSVZSXMLJKNH-LSLOVBDISA-N 425.535 2.979 0 40 IFAB O=C(CN1C(=O)N/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1ccccc1 409102669 VTYCQBGGCOFPPF-UYRXBGFRSA-N 430.420 2.707 0 40 IFAB CSCC[C@@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1c(O)nc2ccccc2c1=O 524732386 XWKIEHVJDKOHKX-FXCLAUTBSA-N 431.558 2.550 0 40 IFAB Cc1nnsc1CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584258 JWXCNDFGLYAQJM-UHFFFAOYSA-N 438.553 2.866 0 40 IFAB O=C(CCc1cccnc1)N1CCCCCc2cc(F)ccc2OC[C@@H](O)[C@@H](O)CC1 1615158117 DXDPGBAEETZOJC-FCHUYYIVSA-N 430.520 2.899 0 40 IFAB CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@]12C(=O)Nc1ccccc12 705598 UKWFZUIKTIRWAZ-DEOSSOPVSA-N 434.448 2.658 0 40 IFAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc1 2369084 PMWRPTIJXNLIMU-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB NC(=O)COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 2412301 KILNZYGDDZZDDL-OAQYLSRUSA-N 430.416 2.996 0 40 IFAB Cc1c(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)oc2c1ccc1ccccc12 3360869 OPKQYOFSHKVQFK-UHFFFAOYSA-N 426.450 2.863 0 40 IFAB COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c1 4787643 CILIVWQRKINZGR-UHFFFAOYSA-N 449.598 2.506 0 40 IFAB COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(C(C)(C)C)n4)CO[C@H]23)cc1 5434012 ZEBRPNSVGZAKLQ-QFHJOOASSA-N 428.489 2.978 0 40 IFAB biogenic,in-vitro COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nc(C)cs2)n1C 9262382 WTFSBLRBAKKLFD-UHFFFAOYSA-N 432.531 2.501 0 40 IFAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 9464707 LUVWFUYTJOUCGW-QKVFXAPYSA-N 427.482 2.630 0 40 IFAB O=C([C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1)N1CCCC1 9549518 JSMJUSCPUGLOBE-FQEVSTJZSA-N 447.582 2.558 0 40 IFAB COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 9844714 PIILPHRAQPBDLX-UHFFFAOYSA-N 449.916 2.559 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 10292793 BPKDLPVBTRIOHA-UHFFFAOYSA-N 426.469 2.860 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1Cl 10359887 DVRJYIDHCNJZEA-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB CC(C)(C)Nc1c(C2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc2ccc(F)cn12 12087493 HPEHIJCKZLHZIU-OAHLLOKOSA-N 436.553 2.825 0 40 IFAB COc1cccc2cc(-c3ccc(OCC(=O)N4CCC(C(N)=O)CC4)cc3)c(=O)oc12 12391170 GYASIZBWOPWANO-UHFFFAOYSA-N 436.464 2.571 0 40 IFAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)no1 12507828 OVLMQNVTTVWSDY-AWEZNQCLSA-N 429.454 2.968 0 40 IFAB O=S(=O)(c1ccccc1F)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 12867417 HRISFIBIHGMLLM-UHFFFAOYSA-N 436.896 2.634 0 40 IFAB COc1ccc(OCCCC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12913895 WXDPQZWQJHODQP-JOCHJYFZSA-N 440.496 2.507 0 40 IFAB CNC(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12917692 YXUWJADQWBURJA-UHFFFAOYSA-N 443.463 2.759 0 40 IFAB CCCCN1C(=O)C[C@@H](C(=O)Nc2nc(CC(N)=O)cs2)[C@@H]1c1ccc(OC)cc1 13006976 JYPWELMUUQJECK-APWZRJJASA-N 430.530 2.508 0 40 IFAB COC(=O)c1sccc1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 13007861 NEIJMSZJVZZCPH-UHFFFAOYSA-N 437.271 2.922 0 40 IFAB CCOc1ccc(NC(=O)CN2CCn3cccc3[C@H]2C)cc1S(=O)(=O)N1CCCC1 13126010 YAAKRBBIXQSODC-QGZVFWFLSA-N 446.573 2.687 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCC2)c2ccccc2)cc1 13673408 KARGVPVFPBXTPN-UHFFFAOYSA-N 445.585 2.883 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1 15433836 QFXBCDFQKUPWHO-UHFFFAOYSA-N 428.554 2.802 0 40 IFAB Cc1ccc(CN2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)CC2=O)cc1 16695078 SUIJCACNBZHWGM-LJQANCHMSA-N 439.943 2.982 0 40 IFAB COc1c(C)cccc1C(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692986 MKCMTKPGHYJTTK-LJQANCHMSA-N 434.500 2.530 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(c2ccc(F)cc2)CC1 19930675 HQXXNFHHHQKPDT-UHFFFAOYSA-N 431.533 2.548 0 40 IFAB CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 24610153 RJPWFMWPEDFYSP-UHFFFAOYSA-N 433.505 2.965 0 40 IFAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1OCC 24752387 BHJAGHPBQBNVMX-IYBDPMFKSA-N 427.567 2.577 0 40 IFAB CCOC(=O)Cc1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1 28232993 RJBOVBBBNVJUKV-UHFFFAOYSA-N 440.525 2.702 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2cc(S(N)(=O)=O)ccc21 32946773 AGAIQODHCHOOCF-UHFFFAOYSA-N 428.898 2.744 0 40 IFAB O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1)c1ccc(=O)[nH]c1 36396021 OVYRRBNXCLZVKD-UHFFFAOYSA-N 430.508 2.975 0 40 IFAB COC(=O)c1cn(Cc2c(F)cccc2Cl)nc1S(=O)(=O)N1CCC[C@H](C)C1 49402145 NDLKWUOPOBDLMO-LBPRGKRZSA-N 429.901 2.931 0 40 IFAB O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 49622735 KRDDIQNCTFCMGC-LJQANCHMSA-N 432.446 2.948 0 40 IFAB COc1ccccc1CN1CCc2nc(SCC(=O)Nc3cc(C)on3)nc(O)c2C1 67291262 WUNORTRUVHQLMW-UHFFFAOYSA-N 441.513 2.776 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(OCC(F)F)C3)CC2)c(C)c1 72311788 RANNCMLHOCRVDF-UHFFFAOYSA-N 430.517 2.505 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCCCC[C@H]2Cc2c(C(N)=O)sc3ccccc23)n1 72370762 JMHGIMSARLSKFL-INIZCTEOSA-N 438.553 2.879 0 40 IFAB Cc1cccc(N2CCN(c3ncc4c(=O)n(-c5ccccc5)c(O)nc4n3)CC2)c1C 77100684 HZOMZJHWARWAMK-UHFFFAOYSA-N 428.496 2.825 0 40 IFAB CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nn(Cc2noc(CC(C)C)n2)c1=O 83836815 AMIZWVWCNGBEEK-UHFFFAOYSA-N 434.541 2.809 0 40 IFAB CC1CCC(NS(=O)(=O)CC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 84689377 FGCDSYXHGFGBEJ-GQOXECLESA-N 426.554 2.831 0 40 IFAB CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)cc(=O)oc2c1 89286856 IINWGYPMLMHVOQ-UHFFFAOYSA-N 442.537 2.871 0 40 IFAB CC(C)C[C@@H](NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)c1nc(-c2nc[nH]n2)no1 89821075 RNAWCOWLQSTIEV-LLVKDONJSA-N 446.320 2.809 0 40 IFAB O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1cc2ccccc2oc1=O 96024225 DNJXRPWNQRBONL-UHFFFAOYSA-N 444.491 2.529 0 40 IFAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4cccnc4)CC3)c3ccccc32)CC1 96052952 RJEFCJPQNFBNSH-NRFANRHFSA-N 432.568 2.907 0 40 IFAB CCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc2cc(S(N)(=O)=O)ccc21 103389831 JXUBNYDFTNBUGI-NHIYQJMISA-N 436.603 2.737 0 40 IFAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1OCC(=O)O 214510234 PBEBNESKXSKTHL-MHWRWJLKSA-N 442.449 2.834 0 40 IFAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222725637 SCUGCWXQDOMBME-QWHCGFSZSA-N 440.468 2.768 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1C(=O)N1CCCCC1 224032265 JSQSVWXRVUXGHW-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB COc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1C(=O)N1CCCCC1 224032699 AMODTCXINOWFIL-UHFFFAOYSA-N 432.542 2.816 0 40 IFAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224903338 KCZLOFHOZKHHAX-UHFFFAOYSA-N 448.497 2.580 0 40 IFAB CN(C)C(=O)CN1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257247181 IXVLQGMYBOWQGT-SFHVURJKSA-N 426.439 2.512 0 40 IFAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 257344341 ZWTUVVRDOZGKCF-XMMPIXPASA-N 431.496 2.727 0 40 IFAB O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCCN(Cc3ccccc3F)C2)O1 306132943 LXHSGFLWAYNZQF-FYYLOGMGSA-N 448.560 2.695 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408668738 VJPQPUANZUZWIH-NHUSPQTBSA-N 426.513 2.841 0 40 IFAB Nc1nc2c(s1)C[C@@H](NC(=O)C1(S(=O)(=O)c3ccc(Cl)cc3)CCCC1)CC2 554688349 PICKXTHYKFGZPQ-ZDUSSCGKSA-N 439.990 3.139 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncnc(CC)c3F)C2)c(C)c1 575413898 NVPVFBMVQBVQRN-OAHLLOKOSA-N 436.509 2.677 0 40 IFAB CC[C@H](C)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)c2ccccc2OC[C@@H](CC(C)C)NC1=O 643561548 RKQZXEODUZUOLK-NLEAXPPASA-N 431.577 2.895 0 40 IFAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)[C@@H]3CCN(C)C3)Cc3ccccc31)N2C 643578083 CMQHMJWADIKFEV-VSKRKVRLSA-N 426.605 2.967 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 916319 JAHKVUSIQWXOKS-QGZVFWFLSA-N 449.548 2.728 0 40 IFAB COc1ccccc1N(Cn1nnc2ccccc2c1=O)S(=O)(=O)c1cccs1 3312434 RZCUYNBCFSRBRC-UHFFFAOYSA-N 428.495 2.715 0 40 IFAB CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccccc1 3501514 JVYUIGBPIVPITP-UHFFFAOYSA-N 425.514 2.635 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 4077790 XZQIUHNVLOXAEJ-UHFFFAOYSA-N 435.415 2.537 0 40 IFAB COC(=O)c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1N1CCOCC1 6136336 UEARJHUWONZRHE-UHFFFAOYSA-N 430.457 2.588 0 40 IFAB O=C(Nc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8684389 YYPDMYNBXXIBFD-UHFFFAOYSA-N 430.530 2.952 0 40 IFAB COc1ccc(-c2coc3cc(OCC(=O)N4CCC[C@H]4CO)ccc3c2=O)cc1OC 8765286 CPBYCHWWKSJFBG-INIZCTEOSA-N 439.464 2.839 0 40 IFAB biogenic O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCC2 9127460 CKNJMOMFIWDRFC-SFHVURJKSA-N 447.578 3.000 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)c(C)c1 9288440 HCAAMYOYKYQTBA-SFHVURJKSA-N 429.542 2.750 0 40 IFAB CCCN(CC(=O)N1CCN(c2ccccn2)CC1)Cc1nnc(-c2cccs2)o1 9515972 NHMRFBURWOMPOA-UHFFFAOYSA-N 426.546 2.754 0 40 IFAB CCc1ccc(Nc2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)s2)cc1 9713767 TUHMJSYRNLBNLB-CQSZACIVSA-N 426.589 2.582 0 40 IFAB CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 10274120 RPWVKUKURKRXSQ-OAHLLOKOSA-N 449.939 2.509 0 40 IFAB O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10819264 KRBTUJRAPPFTGF-UHFFFAOYSA-N 442.516 2.729 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 11192865 OSCGUEGCZVOBJW-FQEVSTJZSA-N 432.567 2.682 0 40 IFAB Cc1csc2nc(COC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc(=O)n12 11286310 VHWACAPVLIJHTN-UHFFFAOYSA-N 429.473 2.799 0 40 IFAB O=C(c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)N1CCN(c2ccccn2)CC1 12195020 XPFARMJEDZEPFX-UHFFFAOYSA-N 434.949 2.627 0 40 IFAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)c(=O)[nH]1 12348099 PPXWPFXUCNUIBM-UHFFFAOYSA-N 426.498 2.894 0 40 IFAB COc1cc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)ccc1O 12427963 PZUVNKFKOAUDIU-JOCHJYFZSA-N 433.464 2.540 0 40 IFAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)NC(=O)NC1CCCCC1 12569367 KLYOZKKDZQYYRA-UHFFFAOYSA-N 432.473 2.513 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC(c2nc3ccccc3s2)CC1 12677040 IGBTWZIYWIFFCD-UHFFFAOYSA-N 440.550 2.741 0 40 IFAB COC(=O)C1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 12811955 DVYGLDPKCCKYLV-UHFFFAOYSA-N 449.857 2.641 0 40 IFAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCC(C)(C)N1CCOCC1 13003200 OWEIYHFJNQWHFA-UHFFFAOYSA-N 426.439 2.740 0 40 IFAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OC(F)F 13041845 IHEVVAMAJZNQFP-UHFFFAOYSA-N 440.468 2.752 0 40 IFAB COc1ccc2nc(N(Cc3ccccc3)C(=O)CCn3[nH]c(=O)ccc3=O)sc2c1 13057697 HWDWJOMTNIUAFN-UHFFFAOYSA-N 436.493 2.778 0 40 IFAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)S1 13120771 RTDROMJXMZDLKY-CYBMUJFWSA-N 430.452 2.647 0 40 IFAB COc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1 13150897 DIXMDGZTLPNOCY-NFBKMPQASA-N 434.544 2.772 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NCc2cccs2)c1 13165046 QJJNLVBEXWQKDH-UHFFFAOYSA-N 430.507 2.885 0 40 IFAB CCS(=O)(=O)N(CC(=O)NCCCc1ccc(C)cc1)c1ccc2c(c1)OCCO2 13667917 NFOBRJZJSXCEAS-UHFFFAOYSA-N 432.542 2.671 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 14084237 YXBWFUPRTVPTRE-KRWDZBQOSA-N 443.525 2.523 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c(C)c1 16097260 QVRCLRQSDUVUOG-UHFFFAOYSA-N 439.537 2.600 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)c3ccccn3)C2)on1 19122163 YLUOQVAQWSGUAF-KRWDZBQOSA-N 434.500 2.691 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527411 SSALSVQMHIWYRV-VQTJNVASSA-N 439.581 2.743 0 40 IFAB Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2cccc(F)c2)C1 19577902 DKKXFFQNPBTVFF-URKNILKWSA-N 427.929 2.829 0 40 IFAB O=C(c1ccc2c(c1)OCCO2)N1CC[C@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705005 CHFMWVGTJOAADO-INIZCTEOSA-N 449.511 2.950 0 40 IFAB O=C(CCCOc1ccccc1F)N1CC[C@@H](c2ncccc2C(=O)N2CCOCC2)C1 19707928 ZMIKIQLCFUIWAN-GOSISDBHSA-N 441.503 2.868 0 40 IFAB O=C(Cc1ccccc1F)Nc1cnn(CC(=O)N2CCC[C@@H](CN3CCCC3)C2)c1 19749807 QWDBWAFKEHSDME-SFHVURJKSA-N 427.524 2.538 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1 20459530 CYEKERCYZMWDMR-UHFFFAOYSA-N 440.861 2.537 0 40 IFAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccc(S(C)(=O)=O)c2)c1C 21337070 QNGXHJHHVLEXPW-IBGZPJMESA-N 444.553 2.967 0 40 IFAB COc1cc2[nH]c3c(=O)n(CC(=O)NCc4ccc(SC)cc4)cnc3c2cc1OC 23126467 UWULDNVQAAGMGG-UHFFFAOYSA-N 438.509 2.933 0 40 IFAB Cc1cccc[n+]1[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C(=C=N)C#N)N[C@@]1(O)C1CC1 33385429 XYKRUTFELYKHCC-QPTUXGOLSA-N 441.471 2.694 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3nncs3)n2C[C@@H]2CCCO2)cc1 36393081 GXNJTUOHQUYGOM-AWEZNQCLSA-N 432.531 2.715 0 40 IFAB O=c1c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c(=O)n1C[C@@H](O)c1ccccc1 40034345 ZQAIGZSIAVRORW-OAQYLSRUSA-N 442.475 2.783 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40105680 ZATRXEIVFJODQG-OAHLLOKOSA-N 431.436 2.952 0 40 IFAB COc1ccc(CNC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)cc1 49008683 MYGIGXVFSPOWTE-UHFFFAOYSA-N 433.468 2.625 0 40 IFAB COc1cc(I)c(Cl)cc1C(=O)N(C)CC(=O)NC(C)(C)C 58356835 RHKDAAQTJAEJFZ-UHFFFAOYSA-N 438.693 2.940 0 40 IFAB COc1ccc(NC(=O)c2cnc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2N)cc1 67336532 PFQPDZXULBGYBT-UHFFFAOYSA-N 442.520 2.813 0 40 IFAB COc1ccc([C@H](CNC(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1 89919339 QIYOYRQKOMCVEB-RDPSFJRHSA-N 447.576 2.974 0 40 IFAB O=C(C1[C@H]2CCCC[C@H]12)N1CCc2nc(C3CCN(C4CCOCC4)CC3)nc(O)c2C1 100235188 BQVRWDZNERSIJN-OALUTQOASA-N 440.588 2.862 0 40 IFAB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(F)cc1 101228636 NIYLGXYPKDADMD-CQRJNKKSSA-N 447.462 2.970 0 40 IFAB COc1ccc(OC)c(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)c1 219188059 XGBXBGQGOTXHBF-UHFFFAOYSA-N 448.497 2.870 0 40 IFAB CCc1ccc(N([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 220270830 TWZRHHHWJBWDPI-IBGZPJMESA-N 429.586 2.748 0 40 IFAB COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc(C(=O)OC)c1 223843196 JPITZYJUWOWGDR-UHFFFAOYSA-N 441.845 2.501 0 40 IFAB Cc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c(C)c1 224764505 VXKBKTMYBRRVRG-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB Cc1ccc(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1N1CCCC1=O 225599702 RPXPQDYHVJLCEO-UHFFFAOYSA-N 437.547 2.759 0 40 IFAB Cn1c(CNC(=O)CN2CCNC[C@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 257207544 BIFWUNCVCCPCPX-IBGZPJMESA-N 431.462 2.855 0 40 IFAB O=C1NCCNC(=O)[C@@]2(C/C=C/COc3ccccc31)CCCN(Cc1nccs1)C2 257218150 DCAUMMKYRLIVAN-CRTIWDKESA-N 440.569 2.610 0 40 IFAB CN([C@H](C(=O)Nc1ccc(I)cc1)c1ccccc1)S(C)(=O)=O 260772891 XFXHERVSQBURBQ-HNNXBMFYSA-N 444.294 2.862 0 40 IFAB C[C@H]1CCCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 260801539 BHSUKGMISTUFEU-ROUUACIJSA-N 442.025 2.979 0 40 IFAB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3cccc(Br)c3)cc21 408534975 RZGXKSDXHLNMGN-UHFFFAOYSA-N 445.317 2.728 0 40 IFAB Cc1c(N(Cc2ccccc2Cl)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C 408695476 QLHYIVSHLARNBZ-UHFFFAOYSA-N 434.949 2.951 0 40 IFAB Cn1cc(C(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)c(C(F)F)n1 1775995179 GPCTULNGZPFINW-JTQLQIEISA-N 430.253 2.841 0 40 IFAB O=S(=O)(N[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Br)C1)C1CC1 1888881731 XIGQGQDKYADRPI-JTQLQIEISA-N 428.274 2.914 0 40 IFAB CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(C)cc2)c2ccccc21 2299895 QITGOSMFNUNSDP-GOSISDBHSA-N 427.460 2.947 0 40 IFAB O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 2654387 LGOOPNRCFUZDHI-UHFFFAOYSA-N 428.539 2.906 0 40 IFAB CCc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[nH]2)cc1 4959673 UGZDQBLKJYKBTF-UHFFFAOYSA-N 429.527 2.959 0 40 IFAB COc1cc2cc(CN(CCO)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1OC 6283213 LJWVCHMZICXNFI-OAHLLOKOSA-N 441.553 2.975 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8816420 PKEUQUHRXPPKDP-OAHLLOKOSA-N 431.489 2.602 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O 8902072 CCSWWMVEYGWXKI-QKFKETGDSA-N 438.459 2.747 0 40 IFAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2ccccc2F)C1 8992974 BWUGBWQTSDWEIT-GOSISDBHSA-N 433.461 2.740 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9010453 BIRBJAQJUXOFAO-UHFFFAOYSA-N 436.555 2.664 0 40 IFAB Cc1ccc(C)c(-n2cnnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 9376545 CLGWLOAMSJPFQF-UHFFFAOYSA-N 442.545 2.508 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2O)cc1 9464299 RKTSFXINAIOZGI-LBPRGKRZSA-N 440.905 2.916 0 40 IFAB COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1Cl 9526714 OSCLQTUBNVUPND-UHFFFAOYSA-N 426.904 2.698 0 40 IFAB Nn1c(SCC(=O)NC(=O)NC2CCCC2)nc2scc(-c3ccccc3)c2c1=O 9641588 CESXRXOMRNPOJN-UHFFFAOYSA-N 443.554 2.699 0 40 IFAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NC(=O)Nc1ccc2c(c1)OCCO2 9712405 ILWWMSZJAGQGIV-QGZVFWFLSA-N 439.468 2.714 0 40 IFAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807150 NMDNXAPACJQBRB-HXUWFJFHSA-N 443.569 2.828 0 40 IFAB Cc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2N2CCOCC2)cc1 9882197 XKRKBMRXIVMCBV-UHFFFAOYSA-N 440.554 2.774 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1NC(=O)c1ccccc1F 10060012 JOWNRDZDDGYWHI-UHFFFAOYSA-N 443.456 2.986 0 40 IFAB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(Br)cc2)n2nnnc2N1 10232415 CEBIMDFXZQJPOB-AWEZNQCLSA-N 446.286 2.822 0 40 IFAB C[C@H](C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1)N1C(=O)NC(C)(C)C1=O 12187179 WZDMUFUEPGJALX-OAHLLOKOSA-N 446.979 2.671 0 40 IFAB COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1 12415755 XJJFJUUZUUQSBU-UHFFFAOYSA-N 426.494 2.945 0 40 IFAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)n2N)c(C)c1 13113144 IIECQUWAFCBLMZ-HNNXBMFYSA-N 446.577 2.827 0 40 IFAB CCOc1ccccc1CCCNC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 13673862 DCEHVVDXGZVHCN-UHFFFAOYSA-N 432.542 2.803 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 14417885 PTLUZDOHSQQXEI-LBPRGKRZSA-N 444.513 2.974 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 15391562 YQBOOBMFHHBWEY-KRWDZBQOSA-N 449.960 2.906 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)c1 16047566 NVAYIKJTCZOXGI-UHFFFAOYSA-N 430.468 2.796 0 40 IFAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OCC(N)=O 16403180 COGJLHAJBOHYGE-UHFFFAOYSA-N 442.251 2.914 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]([C@@H](NC(C)=O)c3ccccn3)C2)cc(OC)c1OC 19020291 QPMHFQGZONBCRN-IIBYNOLFSA-N 427.501 2.837 0 40 IFAB COc1cccc(CC(=O)N2CCC(O)(Cn3ncc4cc(NC(C)=O)ccc43)CC2)c1 19022731 HHMAIEAJEVWPDX-UHFFFAOYSA-N 436.512 2.600 0 40 IFAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccco2)ccc1C 22695048 ITDHMQWKTXRQKV-UHFFFAOYSA-N 443.481 2.766 0 40 IFAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](c3ccccc3)N3CCCC3)C2=O)cc1 23737943 TZAKCOCVUXEYLM-PXDATVDWSA-N 434.540 2.715 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 24772146 YUPPHXAFRICBKU-VFNWGFHPSA-N 436.443 2.547 0 40 IFAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 24843318 UILRLLLJPILCFI-UHFFFAOYSA-N 442.566 2.702 0 40 IFAB COc1ccc(C(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1OC 25397612 CMFOXAZLNFQZLD-UHFFFAOYSA-N 442.512 2.804 0 40 IFAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 25407373 HQFJQXMCDAKBOI-ZRGWGRIASA-N 425.520 2.723 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC3CCCCC3)[C@@H]4C2=O)c1 33940026 XICHVSHOOMAYPQ-BBNRHVKASA-N 438.524 2.582 0 40 IFAB O=C(CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1)Nc1cc(F)cc(F)c1 40033497 JHBDNBFZZSKISC-KRWDZBQOSA-N 428.439 2.821 0 40 IFAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 40129255 QCCXIJGUEKHJPX-HNNXBMFYSA-N 429.970 2.567 0 40 IFAB CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21 44963407 QARPWNSGRMMWII-SJINMKGWSA-N 438.561 2.831 0 40 IFAB in-vitro C[C@H](CO)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2Br)CC1 79016398 PEVZOJZDZCOPIT-VXGBXAGGSA-N 449.187 2.537 0 40 IFAB CN(CC(=O)N1CCC(O)CC1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 89335384 VKSLTTPXHFDWFN-UHFFFAOYSA-N 432.524 2.654 0 40 IFAB Cc1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)CC3)nc2)no1 90558844 QDKUGMRRNSYJAO-UHFFFAOYSA-N 447.474 2.942 0 40 IFAB O=C(O)Cn1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)nn1 98059461 GVALWDRLCUBFCW-WZUFQYTHSA-N 425.257 2.857 0 40 IFAB O=c1c(CN2CCc3ccccc3C2)coc(O)c1CN1CCN(c2ccccn2)CC1 101374954 PZSUICJRZWRODP-UHFFFAOYSA-N 432.524 2.621 0 40 IFAB COc1ccccc1-n1nnc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1-c1ccncc1 206641941 HZLJPQYCETVRIX-UHFFFAOYSA-N 449.492 2.994 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 219970064 LQKZRPZPZKDRKS-UHFFFAOYSA-N 440.525 2.982 0 40 IFAB Cc1ccc2c(c1)O[C@H](C(=O)Nc1nnc(SC(C)C)s1)CN2S(C)(=O)=O 223092478 GHEMZOJFDXWKKR-ZDUSSCGKSA-N 428.561 2.513 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)COc3ccc(C)cc3)CC2)cc1 225499561 UTATZDUWVNGVAC-GOSISDBHSA-N 446.569 2.988 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)CC1 225800777 MRMDZBMOSGBUHU-UHFFFAOYSA-N 437.974 2.701 0 40 IFAB Cc1cc(Oc2ccc(C(N)=O)cc2)nc([C@@H]2CCCCN2CC(=O)Nc2ccn(C)n2)n1 257208767 BNNMOBNVNCHNTM-SFHVURJKSA-N 449.515 2.575 0 40 IFAB Nc1nnc(CC(=O)N2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 257282352 OTKJPJXSIIJDLR-KRWDZBQOSA-N 429.933 2.902 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2ccn(C(F)F)n2)CC1 257344001 ZVJPICBBRZCATL-CNNODRBYSA-N 434.487 2.728 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 408558183 IRLQMKYKGLTXKT-MRXNPFEDSA-N 446.525 2.896 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 408653825 AUEKLIQKCVHEDE-WWLNLUSPSA-N 446.459 2.802 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc(Br)c1O 409211616 MCCICSHFLHVOPG-MLPAPPSSSA-N 443.319 2.972 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)NC2COC2)C12CCN(Cc1ccncc1)CC2 1549166080 ABIUXPPDKBMVRW-HSZRJFAPSA-N 448.567 2.579 0 40 IFAB O=C(Nc1ccc2nccnc2c1)[C@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCO1 1848352771 IRNFOMSOFHPTTE-HSZRJFAPSA-N 445.523 2.705 0 40 IFAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2cc(Cl)ccc2OC)nn1 1888890587 BISSVZWQOBJESI-XYPWUTKMSA-N 426.926 2.643 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1)c1ccco1 2091057 VUEIUPWPQQSBPY-HOTGVXAUSA-N 439.493 2.502 0 40 IFAB biogenic COc1cc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(C(=O)O)cc1OC 2130345 WSTDWYLHWCKFQQ-INIZCTEOSA-N 427.413 2.701 0 40 IFAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1C 2644846 FYZKLMVZTAXUEQ-QHCPKHFHSA-N 425.485 2.934 0 40 IFAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 3830593 LQOLIRLGBULYKD-CKEIUWERSA-N 435.889 2.549 0 40 IFAB biogenic CCOC(=O)/C=C1\SCC(=O)N1CCNc1ccc(I)cc1 9222560 SKLPCALXIJYFSJ-ZROIWOOFSA-N 432.283 2.683 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1)C(=O)O 9430387 IBWBNPWULQFHDQ-UAOJZALGSA-N 435.480 2.809 0 40 IFAB COc1ccccc1-n1c(SCC(=O)NC(=O)NC(C)C)nc2ccccc2c1=O 9465457 MRGQTOSCSJZHFL-UHFFFAOYSA-N 426.498 2.721 0 40 IFAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nncn2C)cc1 9499933 AKDSTJQXWXWUOX-UHFFFAOYSA-N 425.514 2.527 0 40 IFAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCc1ccccn1 9831231 LEXXTQWXBFKWMN-UHFFFAOYSA-N 438.491 2.737 0 40 IFAB CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 9986824 WBSLFVGEECBOAT-UHFFFAOYSA-N 447.645 2.814 0 40 IFAB Cc1cc(C(=O)CSc2nnc(N)[nH]2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 10715888 GGDUIQFIHQAIPQ-UHFFFAOYSA-N 437.529 2.567 0 40 IFAB CC[C@H](C)N(C(=O)COC(=O)CSc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 11722576 VXCKQVHAJUTZBZ-IRXDYDNUSA-N 427.588 2.753 0 40 IFAB CCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)ccc1OCC 12137743 UNYWDVVZLQTLJB-OAHLLOKOSA-N 441.322 2.522 0 40 IFAB Cc1cc(C)n(CCC(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)n1 12142976 FKYGBGZXLJLLLM-UHFFFAOYSA-N 426.565 2.540 0 40 IFAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](C1(C)CC1)N3)C2 12143191 WKHWOGSKRPQKKA-LSDHHAIUSA-N 436.438 2.561 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 12447837 FEKKDGDVBPPQPK-WOJGMQOQSA-N 436.493 2.860 0 40 IFAB CC(C)c1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 12618042 OKGPHXCWEZVUCJ-UHFFFAOYSA-N 426.542 2.603 0 40 IFAB CN1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)c2nc3ccccc3nc21 12782442 WBOVVBJBFZHDEL-UHFFFAOYSA-N 429.480 2.879 0 40 IFAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12986157 CTCZUGXJEUKYJB-IBGZPJMESA-N 428.510 2.975 0 40 IFAB CCCCN(C(=O)COc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13149506 RCOPILYSQMZGOY-UHFFFAOYSA-N 440.475 2.518 0 40 IFAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)s1 15386383 HSACRYIVRCFCHG-UHFFFAOYSA-N 429.361 2.966 0 40 IFAB Cc1nc(C)n(CC(=O)N2CC[C@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)n1 19285701 CREASRHNCXBHFU-XMMPIXPASA-N 435.503 2.648 0 40 IFAB O=C(C1CCC1)N1CCc2c(nc([C@H]3CCN(Cc4cccc(F)c4F)C3)[nH]c2=O)C1 19292708 LUQGAIBFTUWCJA-INIZCTEOSA-N 428.483 2.722 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)c(C)n1 19693436 ZCRSAFMQEOAXHG-QGZVFWFLSA-N 431.493 2.570 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)c1c[nH]c2ccccc12 21372754 DFUCTWNJSALKFG-OAHLLOKOSA-N 442.493 2.617 0 40 IFAB CCCn1c(=O)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc21 22358478 HSBMWDVAOWDIIC-UHFFFAOYSA-N 447.461 2.976 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 23549067 UBEVBERXVNXWEQ-UHFFFAOYSA-N 435.977 2.613 0 40 IFAB CCCCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1Cl 25345322 XJAVPRXORQLZOT-UHFFFAOYSA-N 438.981 2.933 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 28831906 PDIWQYFBXXLCEI-MRXNPFEDSA-N 426.469 2.801 0 40 IFAB Cn1nc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c2ccccc2c1=O 29567781 MWWFYJDWMDAPOV-UHFFFAOYSA-N 441.513 2.936 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)s1 31747890 HYUXCZHCLATYAX-UHFFFAOYSA-N 425.260 2.661 0 40 IFAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@H]1c1ccccc1 33694855 HAQNYYJRLLKPAK-JCAJYURWSA-N 448.500 2.636 0 40 IFAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)c1ccccc1 35267076 OXNQACLGIKCTHW-QFIPXVFZSA-N 436.556 2.654 0 40 IFAB CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 36067076 GCDKIPRJYISBES-FQEVSTJZSA-N 433.936 2.975 0 40 IFAB Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 37866358 JTGKGCBCGNNYDU-UHFFFAOYSA-N 429.524 2.592 0 40 IFAB COC(CNC(=O)Nc1ccc(-c2ccc(NC(=O)NCC(OC)OC)cc2)cc1)OC 40546106 OKOKYTLRKQLQAO-UHFFFAOYSA-N 446.504 2.834 0 40 IFAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(CN4CCOC4=O)c3)CC2)c(C)o1 48333399 GEFYAJZUOOQSAE-UHFFFAOYSA-N 426.473 2.839 0 40 IFAB CCOC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3cccc(C(=O)OC)c3)cc2)n1 58017074 WAUUAQJXTXWRQC-UHFFFAOYSA-N 429.454 2.636 0 40 IFAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)C1 58157747 MLPKMKXOUNTIJV-KRWDZBQOSA-N 448.520 2.552 0 40 IFAB Cc1nc(C2CC2)nc2sc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCCCC3)c(C)c12 58312963 JAKXGQZEVUEUAS-HOTGVXAUSA-N 448.614 2.567 0 40 IFAB C[C@H](CN1CCCC1=O)NC(=O)c1cccn1-c1cccc(I)c1 64036596 DROJLLLTFAGXDD-CYBMUJFWSA-N 437.281 2.823 0 40 IFAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccc(F)cc4)[C@@H]3CO)cc2)no1 72321402 BRFIUWQVMFDYFA-IFMALSPDSA-N 439.443 2.835 0 40 IFAB biogenic,in-vitro O=C1C[C@H]([C@@H]2CCCN(C(=O)CCn3nc(O)ccc3=O)C2)Oc2ccc3ccccc3c21 72342303 WTFNJXAJINRQBU-DYESRHJHSA-N 447.491 2.765 0 40 IFAB O=C(Nc1cccc(N2CCNC2=O)c1)N[C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 79107224 KWEULOSGZZSUCK-INIZCTEOSA-N 434.905 2.910 0 40 IFAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 96011735 BGSKLVSNAOEQGL-VJBWXMMDSA-N 427.589 2.688 0 40 IFAB CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccc(Cl)c1)CC2 96143575 ZFLXUHRDNPIOPY-LEWJYISDSA-N 438.959 2.930 0 40 IFAB COc1ccc(N2CCC[C@H](C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)C2)nn1 96223784 IELHUGVHXPBDFU-INIZCTEOSA-N 430.936 2.865 0 40 IFAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccccc1F 96521130 JZXZJESWKZCOKN-ZJUUUORDSA-N 437.068 2.778 0 40 IFAB O=C1C[C@@H](Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1Cc1ccccc1 103292263 SWHNXYWENQKFNT-QGZVFWFLSA-N 442.522 2.684 0 40 IFAB COc1ccccc1N1CCN(C(=O)CC2(CC(=O)NC[C@H]3CCCO3)CCCC2)CC1 199406009 SNHUUCASNUKYFX-HXUWFJFHSA-N 443.588 2.980 0 40 IFAB COc1cc(N(CC(=O)Nc2ccccc2OC)S(C)(=O)=O)c(OC)cc1Cl 220054098 MOQPSZGAFKVVNY-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB COc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1OC 220488027 SKGBNPKVGWJBDJ-HNNXBMFYSA-N 438.521 2.746 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)c1 222567622 VNWVQTMWCJGSNE-GOSISDBHSA-N 432.542 2.729 0 40 IFAB Cc1c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(=O)n(-c2ccccc2)n1C 222580626 IIHRKMZARZJVJN-UHFFFAOYSA-N 440.525 2.667 0 40 IFAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222934798 SMJRJNUXCSMZNY-NRFANRHFSA-N 445.585 2.623 0 40 IFAB COc1ccccc1OCCNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 224009182 RNNQKOJDFIKUHH-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 225011168 JRONJOSLZJTVLG-NRFANRHFSA-N 447.557 2.715 0 40 IFAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(CN2CCOCC2)cc1 257245271 IOSXNCZUACVUSM-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408662731 PGXANLGFWMIQEN-DIRVTVSLSA-N 425.268 2.506 0 40 IFAB O=C(Nc1ccccc1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2ccccn2)C1 585106856 JRFNPUINBQIBLN-XMMPIXPASA-N 430.512 2.723 0 40 IFAB Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(Br)cc3)CC2)n1 1889138799 GRAADPDHBBLGIV-UHFFFAOYSA-N 432.366 2.706 0 40 IFAB COc1ccccc1NC(=O)N1C[C@@H]2CN(c3cc(-n4nc(C)cc4C)ncn3)C[C@@H]2C1 2086896894 UYNXNUDJQGVLOC-HDICACEKSA-N 433.516 2.888 0 40 IFAB C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 2636662 RUCDLLPAFORGMI-NRFANRHFSA-N 442.313 2.801 0 40 IFAB CC(C)CN(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 3328643 RWGXKNDZSFKDEH-HUUCEWRRSA-N 427.588 2.701 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1C 3391443 RMMGXSBJHGTGKC-QKFKETGDSA-N 429.517 2.922 0 40 IFAB CN(C)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 6198523 WCEJMWXNOQUXGZ-UHFFFAOYSA-N 430.574 2.828 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 6878754 IZDLMYMFOJEKFX-UHFFFAOYSA-N 432.542 2.763 0 40 IFAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3n[nH]c(=O)c4ccccc34)n2)s1 9417872 SNKZAGJFFJFYRD-UHFFFAOYSA-N 425.495 2.997 0 40 IFAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9495251 UGBLBUIWPQHUAO-QGZVFWFLSA-N 425.416 2.777 0 40 IFAB COc1cc(/C=C/C(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc(OC)c1OC 9822317 ZGCFOVOLWGKVNO-BQYQJAHWSA-N 439.472 2.559 0 40 IFAB COc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1S(=O)(=O)N1CCCC1 9885491 RNZYRPDNKPBDOE-UHFFFAOYSA-N 442.541 2.568 0 40 IFAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1-c1ccccc1O 10103093 PACAARCUELWNSL-UHFFFAOYSA-N 435.871 2.854 0 40 IFAB COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c2nccn2C)cc1 10322950 YAGWXHBQVHQJJW-HXUWFJFHSA-N 442.541 2.635 0 40 IFAB CS(=O)(=O)c1ccc(CC(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)cc1 12187127 HVFFXYWOKUYBBS-UHFFFAOYSA-N 426.582 2.945 0 40 IFAB O=C(OCc1ccccc1)C1=NN[C@@]2(CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)C1 12376512 IZYOYMNRCFAWOR-HXUWFJFHSA-N 431.370 2.800 0 40 IFAB COc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)c3)cn2n1 12441300 FHSMNNQBWVABSG-UHFFFAOYSA-N 438.465 2.977 0 40 IFAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1F 12486730 DDKSMGQCOUXSKO-UHFFFAOYSA-N 448.516 2.622 0 40 IFAB COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c2nccn2C)cc1 12520551 SUCNSQZWGMKELD-OFNKIYASSA-N 432.524 2.991 0 40 IFAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 12547777 FTFYSZRXZOVCDD-UPCLLVRISA-N 447.495 2.525 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)CC1 13011832 JIZUHLBUZARBLT-UHFFFAOYSA-N 444.479 2.743 0 40 IFAB CN(C[C@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 13573906 CRJBJBPTAGDYSC-PGLQMZEQSA-N 430.457 2.760 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 14197632 XPZBWQYRUNLHTR-UHFFFAOYSA-N 440.569 2.570 0 40 IFAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1C 15245293 HGGKFARIOZHVIN-HXOBKFHXSA-N 426.469 2.547 0 40 IFAB COc1ccc(CN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)C2CC2)cc1 15486086 ZJVHZZHJHHFPDO-UHFFFAOYSA-N 447.557 2.557 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15967033 MESVUDPNTKQKQP-AWEZNQCLSA-N 438.933 2.861 0 40 IFAB O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 16043839 ZYDNIRDVDUHLGL-UYRXBGFRSA-N 441.403 2.728 0 40 IFAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O[C@@H](C)C(=O)O 16606784 ZSWLHFCJYIPSAS-BUXKBTBVSA-N 443.431 2.953 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 16680358 LTOZCZIKKDAIMX-XMHCIUCPSA-N 438.509 2.595 0 40 IFAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 20245760 SKHUHKRYFLTXEG-UHFFFAOYSA-N 436.965 2.545 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccccc1 20328304 NEPLVAUHMRCQIE-GOSISDBHSA-N 434.901 2.985 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1cccc(Cn2ccnc2)c1 25169875 XSUMOJYCGZIHJL-UHFFFAOYSA-N 430.555 2.959 0 40 IFAB NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 27551449 DCWHYNRPFPHBEU-NRFANRHFSA-N 445.541 2.803 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 34878651 IJWIBOSNLQISMJ-UHFFFAOYSA-N 437.949 2.602 0 40 IFAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1nc2c(c1C(F)(F)F)CCC2 36615074 KPCOJKSWQCSHHC-UHFFFAOYSA-N 441.426 2.968 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4cccc(C(C)=O)c4)c(=O)n3c(C)n2)cc1 67226574 KZAWNJYXNOPTQD-UHFFFAOYSA-N 431.452 2.716 0 40 IFAB CC(C)[C@@H](NC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1cccs1 69928931 UEGDCLWMHSOWKG-HXUWFJFHSA-N 429.498 2.576 0 40 IFAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4cc(OC)ccc4OC)c3)nc2)n1 71768344 ATYWKMFKRYLZOJ-UHFFFAOYSA-N 434.456 2.827 0 40 IFAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 84186132 HTGONWRNSKZCFL-UHFFFAOYSA-N 427.505 2.720 0 40 IFAB NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)C1 89768278 JUYIEPNBQSSMCH-HOCLYGCPSA-N 441.981 2.679 0 40 IFAB O=C([C@@H]1CCCN1Cc1ccnc(-c2ccc(Br)cc2)n1)N1CCOCC1 89793869 WORMKLISAYJDIV-SFHVURJKSA-N 431.334 2.729 0 40 IFAB O=C([C@@H]1CSc2nccc(=O)n2C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 90609891 YPUKPJPSRGHZHT-NRFANRHFSA-N 446.576 2.899 0 40 IFAB C[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 95454652 LSTGZMIGYBXFES-ZFWWWQNUSA-N 426.510 2.733 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)c1 96251357 DZRXDPXRHIBEHH-NVQXNPDNSA-N 447.583 2.978 0 40 IFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3N3CCCN23)cc1 102681089 PZSBHXCUDDXJAN-CEXWTWQISA-N 442.313 2.993 0 40 IFAB CC[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O 113945820 FCZBKOSKHOLDDI-NRFANRHFSA-N 430.574 2.622 0 40 IFAB CC(C)CCNC(=O)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2ccccc2=O)CC1 199421785 FDTSGDVBLAZXBO-JOCHJYFZSA-N 437.540 2.673 0 40 IFAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220089200 QTUCBCKUPNFAKH-UHFFFAOYSA-N 439.484 2.898 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224218463 CHQZULIICPEGGK-MRXNPFEDSA-N 447.557 2.874 0 40 IFAB COc1cccc(N2CCN(C3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)CC2)c1 244975253 IIGMXHOLBDQBJK-DEOSSOPVSA-N 437.540 2.648 0 40 IFAB O=C(C[C@@H]1CCCN(C(=O)CCc2nc3cc(F)ccc3[nH]2)C1)NCC1CCOCC1 257230508 GCQHWFIOWOITAF-KRWDZBQOSA-N 430.524 2.806 0 40 IFAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 408597521 XFRPZPZXVODTNY-HUUCEWRRSA-N 440.949 2.909 0 40 IFAB COc1ccc(CCNC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC 409172516 JSOFOZLQGZGZMV-UHFFFAOYSA-N 447.340 2.648 0 40 IFAB O=C1C[C@@H](Cc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(-c5ccccc5)n4)C3)cc2)C(=O)N1 537552286 WMPZQUKEJIEQAK-VQTJNVASSA-N 443.507 2.697 0 40 IFAB O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cnc2[nH]nnc2c1 544560633 IGPJPNRGTLRTPB-UHFFFAOYSA-N 429.408 2.857 0 40 IFAB CC(C)C(=O)N[C@H]1CCN(C(=O)Cn2c3c(c4cc(F)ccc42)CCCC3)CC[C@@H]1O 585267252 PDYUOPVQFRDUAT-UGKGYDQZSA-N 429.536 2.783 0 40 IFAB COCC(=O)OCC(=O)Oc1c(I)cc(Cl)c2cccnc12 725446897 JOGWLHZKHUSOKV-UHFFFAOYSA-N 435.601 2.588 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4cccc(F)c4)C[C@@H]23)n1 1549161152 DVNWWACSLJURMO-GOSISDBHSA-N 440.479 2.632 0 40 IFAB CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(Cc2ccc(C(F)(F)F)cc2)CC1 1772595320 MBXNJEWDDQWISG-HXUWFJFHSA-N 436.522 2.866 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888921892 VDKLMJJFZFYUEC-OAHLLOKOSA-N 431.493 2.712 0 40 IFAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NS(=O)(=O)N(C)C)nc3N2)cc1 2399864 XODATGTZVGDIOF-QZTJIDSGSA-N 428.518 2.651 0 40 IFAB Cc1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n1Cc1ccccc1 3332589 ZBEQSCLJUAGGDM-UHFFFAOYSA-N 427.505 2.963 0 40 IFAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C(=O)O)[C@H]2C(=O)N(C)C)cc1OC 4777512 ZOQZQZZCOKBEKI-URZJWIJPSA-N 443.496 2.814 0 40 IFAB CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 8725377 HDPJXMZXFVIEAP-MRXNPFEDSA-N 429.952 2.900 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CC(C)C)c1ccc(Br)cc12 8843715 YHEJRLRWACPDST-QGZVFWFLSA-N 439.335 2.607 0 40 IFAB CCOc1ccc(NC(=O)CN2CCc3ccccc32)cc1S(=O)(=O)N1CCCC1 9208583 YMKOGWMRZYXINQ-UHFFFAOYSA-N 429.542 2.871 0 40 IFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc2C1 9263099 ZCCAMZYKLRZGPV-UHFFFAOYSA-N 439.516 2.561 0 40 IFAB CCOC(=O)C1=C(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)NC(=O)N[C@H]1c1ccccc1 9643352 IIIXHIULNZEWBX-YLPFRIKTSA-N 440.496 2.796 0 40 IFAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 9983617 AANQRQOKPAOONH-UHFFFAOYSA-N 429.436 2.691 0 40 IFAB COc1ccc(Cl)cc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O 11666383 ZNHDCSLCLILCMF-UHFFFAOYSA-N 427.823 2.998 0 40 IFAB CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)Cn1cnc2ccccc21 12222225 IQUNZFXTAWUTHX-GOSISDBHSA-N 431.496 2.864 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 12229921 SOALVZMSSCVOQC-QGZVFWFLSA-N 439.493 2.568 0 40 IFAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617517 QSEZQWKVHCUDIU-UHFFFAOYSA-N 446.960 2.911 0 40 IFAB CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2)c1 12629684 SGSOKOMECHSTHB-GOSISDBHSA-N 440.525 2.577 0 40 IFAB COc1cccc(-c2nc(CS[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)c1 12931299 QGIBWIIWVOGAOF-GXTWGEPZSA-N 426.585 2.744 0 40 IFAB COC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 13566247 KIIAATQUOCCMIB-FQEVSTJZSA-N 445.903 2.928 0 40 IFAB CCn1cc(C(=O)NCCC(=O)Nc2ccc(OC)cc2)c(=O)c2cc3c(cc21)OCO3 13626702 FDWJJRFEZOBFGB-UHFFFAOYSA-N 437.452 2.517 0 40 IFAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4O[C@@H]([C@H]5ON=C(c6ccc(Cl)cc6)[C@H]54)[C@@H]3C2=O)cc1 13813472 ZHUREWIGNQTMMS-LLGWXDCBSA-N 436.851 2.849 0 40 IFAB O=C(CCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 14228643 GPUCWSKDDHWJFB-QFIPXVFZSA-N 440.565 2.648 0 40 IFAB COc1cccc(NC(=O)CN(C)C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 14255457 HTPYQQSBNCMFKK-UHFFFAOYSA-N 431.798 2.626 0 40 IFAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 16380667 ZBXYKUVWHGESBI-UHFFFAOYSA-N 435.528 2.556 0 40 IFAB Cc1cc(NC(=O)[C@@H](OC(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)no1 16563111 SOQCTYZKCWHVBY-FQEVSTJZSA-N 433.420 2.892 0 40 IFAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(F)cc2)cc1 16955074 LTMVGNMHXFUZGZ-UHFFFAOYSA-N 439.472 2.675 0 40 IFAB Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1C[C@H]1CCCO1 18164874 PPRLQBCDDOVUBQ-QGZVFWFLSA-N 437.496 2.879 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccc(O)nn2)C1 19449370 RSWNSEVWBJMKII-VWLOTQADSA-N 445.523 2.844 0 40 IFAB CN1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCN(C(=O)c4ccco4)C3)n2)CC1 19590120 RBOCOPIILLJGHW-IBGZPJMESA-N 432.528 2.903 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCO[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19703132 NFRDRTCHQLYNHN-OAHLLOKOSA-N 427.482 2.626 0 40 IFAB CCS(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)C1 19738910 NVOZTPWJVVAJLT-INIZCTEOSA-N 432.521 2.543 0 40 IFAB COCCCNC(=O)CN1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22783024 BAUIOYMDEQPERS-VWLOTQADSA-N 448.567 2.862 0 40 IFAB COc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 26555990 HNLFJCCDFALGMI-KRWDZBQOSA-N 435.513 2.774 0 40 IFAB Cn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc2sccc2c1=O 29356627 KQZREJRNVCHJCO-UHFFFAOYSA-N 442.566 2.964 0 40 IFAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 30692354 PSMPZPAGYFFHEG-UHFFFAOYSA-N 443.554 2.865 0 40 IFAB COc1ccc(CN(C(=O)CN2CCc3ccccc32)S(=O)(=O)c2cccnc2)cc1 32642689 HHDNYKXJGCDQKS-UHFFFAOYSA-N 437.521 2.870 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N(C)Cc1ccsc1 39990657 PEYYYNQPTCKPEY-JOCHJYFZSA-N 437.569 2.682 0 40 IFAB COc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)c2C(F)(F)F)nn1 40051194 SRGLVLSOSSPMCT-UHFFFAOYSA-N 446.389 2.851 0 40 IFAB COc1ccc(C)cc1NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997916 WLMXUEQWCOAUDF-UHFFFAOYSA-N 430.936 2.534 0 40 IFAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N1CCN(C(=O)c2cccs2)CC1 57347711 WAFGNKAFZVIYSL-KRWDZBQOSA-N 433.599 2.775 0 40 IFAB O=C1N[C@@H](CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(O)=Nc2ccccc21 95475642 RPUSFIQCDSBMLH-INIZCTEOSA-N 447.417 2.539 0 40 IFAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100138186 CHVKMGCJFNTZNM-LSDHHAIUSA-N 446.511 2.744 0 40 IFAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NC(=O)NCc1ccco1 102395912 CLMGQQZRCSYSCL-NYYJTOMGSA-N 439.306 2.883 0 40 IFAB CC[C@H](C(=O)NCc1nc(-c2cccs2)no1)N(c1ccc(C)cc1)S(C)(=O)=O 219104955 HIZKLOHLRNCRAU-OAHLLOKOSA-N 434.543 2.968 0 40 IFAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 222638478 WAAIITRRUXQOED-UHFFFAOYSA-N 448.570 2.917 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1N1CCCC1=O 225049923 KFQVDPQVFFXNJG-UHFFFAOYSA-N 433.511 2.536 0 40 IFAB Cc1ccc(CN(C(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@@H](C)C(=O)NC(C)C)cc1 225530227 KMMJRIMHTYHGJU-SESVDKBCSA-N 439.556 2.578 0 40 IFAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)n2)s1 257220487 DLAUDXHTZYNVFN-MRXNPFEDSA-N 444.561 2.542 0 40 IFAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)C1 257259164 KXDGJKGKHILPFU-VWLOTQADSA-N 439.531 2.866 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 408659678 MPOAERPWCVHDPT-NHQIJDEQSA-N 444.915 2.962 0 40 IFAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409059265 VTEKYZDLGNXFHB-WSBKAMHLSA-O 448.474 2.859 0 40 IFAB NC(=O)c1ccc(CCC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 1154077793 FFPKEFUMWONKMH-LJQANCHMSA-N 437.544 2.976 0 40 IFAB CC(C)c1nc(S(=O)(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)cn1C 1775970914 JPOJJPZHURUTDW-UHFFFAOYSA-N 444.536 2.651 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCc3ccccc32)cc1OCC 3285702 AHYROGXKLDEISV-UHFFFAOYSA-N 440.496 2.736 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2Cc1ccccc1 6530365 ZXGIJDFCDVNYKS-UHFFFAOYSA-N 429.524 2.931 0 40 IFAB COc1ccccc1N1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)CC1 8635625 WDCFQFQEUQRNFB-KMDXXIMOSA-N 448.611 2.958 0 40 IFAB biogenic,in-vitro Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 8941852 QRGJHJHHMZXROC-UHFFFAOYSA-N 444.944 2.981 0 40 IFAB O=C(Cn1nnc(-c2cccs2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9111702 NQKPKTKAKZJRKD-UHFFFAOYSA-N 438.435 2.896 0 40 IFAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1 9207635 BALOCIRNOUWDAJ-MRXNPFEDSA-N 431.533 2.865 0 40 IFAB Cc1c(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)c(=O)n(-c2ccccc2)n1C 9451063 DNEPZIUHDBOKLQ-UHFFFAOYSA-N 435.480 2.534 0 40 IFAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc2c(c1)OCCCO2 9666765 WQNMKHZIDVECMC-UHFFFAOYSA-N 431.452 2.841 0 40 IFAB CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)s1 9781105 LLVDKZSRUFATNP-UHFFFAOYSA-N 442.006 2.803 0 40 IFAB CCn1c2ccccc2c2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)OC)nc21 9805756 IEZQCGYQPINWLW-QGZVFWFLSA-N 449.536 2.992 0 40 IFAB CSc1ncc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1-c1ccccc1 9899010 HEPJBKCBRQSNNJ-UHFFFAOYSA-N 430.555 2.775 0 40 IFAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)N1CCc2ccccc21 10255501 PCQGDJPXQPJREO-QGZVFWFLSA-N 425.554 2.983 0 40 IFAB COc1ccccc1N1CCN(C(=O)C[C@H]2CSc3nc(C(C)C)cc(=O)n32)CC1 11613538 PUGSZONDJWHINO-INIZCTEOSA-N 428.558 2.761 0 40 IFAB O=C(NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21)C1CCCC1 11665921 AVRIJQXVPNLROC-UHFFFAOYSA-N 437.523 2.598 0 40 IFAB O=C1N[C@]2(COC3(CCN(C(=O)CN4CCCCCC4)CC3)C2)Nc2ccc(Cl)cc21 12085535 OHZDCDBUFZDXSN-HSZRJFAPSA-N 446.979 2.849 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)Cn1nc2c3c(C)c(C)sc3nc(C(C)C)n2c1=O 12181275 QHHKHBMAQJSWRJ-UHFFFAOYSA-N 427.534 2.835 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccc(C)cc3)c(=O)cc2CO)cc1OC 12231198 HKZDRWVDDHMWBR-UHFFFAOYSA-N 438.480 2.884 0 40 IFAB COc1nn(C)cc1-c1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1C 12422568 CLBOUTCHWSDVNS-UHFFFAOYSA-N 426.424 2.974 0 40 IFAB O=C(NCc1ccccc1F)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 12541553 AIUHHDXHGWJWPR-UHFFFAOYSA-N 440.456 2.726 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 12906360 APRPMMCXJWCAFR-UHFFFAOYSA-N 441.553 2.671 0 40 IFAB O=C(c1cccc(F)c1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12997669 ADGDIMPVOWFEEQ-UHFFFAOYSA-N 426.517 2.961 0 40 IFAB NC(=O)[C@H]1CC(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)=NN1c1ccc(F)cc1 13012018 BHUVSVLYWITUQZ-GOSISDBHSA-N 435.415 2.730 0 40 IFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1C 13032598 FBNIEKKQVJRICV-MRXNPFEDSA-N 432.498 2.711 0 40 IFAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C)c(C)c5)CC4)ncnc32)cc1 15884038 FFHYSUOEBRYIEB-UHFFFAOYSA-N 443.511 2.798 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(C)cc1 17102215 LAQKGFKJWVBQDK-RTWAWAEBSA-N 438.503 2.663 0 40 IFAB O=C1NCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@H]1Cc1ccc(-c2cccnc2)cc1 19340733 VPKOJGUKPQSQJR-QGZVFWFLSA-N 443.429 2.921 0 40 IFAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)cc2N1 19451324 XHFPQTXVKJHYOC-HGTKMLMNSA-N 448.511 2.577 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 19709836 UJQSQUNNPDLDPH-LJQANCHMSA-N 431.562 2.721 0 40 IFAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 20017906 XFJNZNRABAXAPC-MRXNPFEDSA-N 432.542 2.982 0 40 IFAB COc1ccc(CNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1OC 20259104 FAECHJDVDHFPFZ-UHFFFAOYSA-N 426.425 2.921 0 40 IFAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC 20489664 UNZKIWDXEMAVHS-UHFFFAOYSA-N 434.514 2.660 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 22330966 PDMFARQSKBVDPO-UHFFFAOYSA-N 440.949 2.872 0 40 IFAB CN(C)C(=O)c1ccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 22761469 RKWWFYXMCCUREL-UHFFFAOYSA-N 426.494 2.885 0 40 IFAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)Nc1ccc2c(c1)OCO2 22767883 PMAKVUUAWZYQKE-UHFFFAOYSA-N 429.436 2.827 0 40 IFAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCN(C)CC2)cc1 22795556 MHXZYTYSSCZMKQ-HXUWFJFHSA-N 448.926 2.531 0 40 IFAB O=C(Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2)NC[C@@H]1CCCO1 23139244 YYTMDAFIBRTGGH-INIZCTEOSA-N 446.598 2.797 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 23744606 AEISDQDYAIIODK-OALUTQOASA-N 447.626 2.789 0 40 IFAB O=C(CCc1nc2ccccc2s1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23806034 VIVCZDYIMXQNGR-UHFFFAOYSA-N 439.566 2.643 0 40 IFAB O=C(c1cc(S(=O)(=O)Nc2ccccc2-c2nc(C3CC3)n[nH]2)c[nH]1)N1CCCC1 26541273 UUABHTWVZMYSTH-UHFFFAOYSA-N 426.502 2.714 0 40 IFAB CCn1c(=O)n(CN2CCC[C@@H]2c2ccccc2)c2cc(S(=O)(=O)N(C)C)ccc21 26554235 BXCQHMRWULCAAB-LJQANCHMSA-N 428.558 2.868 0 40 IFAB CCOC(=O)c1ccc(Nc2nnc(SCc3ccccc3OC)n(N)c2=O)cc1 28536003 MDUKZUVURDQAHZ-UHFFFAOYSA-N 427.486 2.573 0 40 IFAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 29992254 DWTZAPXJIORQTD-IBGZPJMESA-N 441.919 2.602 0 40 IFAB C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1nnc(-c2ccccc2)o1 31311971 UZVPUTRZVPZWSE-AWEZNQCLSA-N 430.486 2.778 0 40 IFAB NC(=O)CCN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 32769001 BNQYUJYRSSKKBJ-IBGZPJMESA-N 427.476 2.642 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCn3ncc(=O)c4ccccc43)ccc21 32837710 QZTTXJIXJGQWKO-HNNXBMFYSA-N 433.464 2.510 0 40 IFAB CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1ccc(C(C)(C)C)cc1 35271147 FKJUUKVGJGPQSF-PQQZDNAISA-N 431.485 2.661 0 40 IFAB Cc1cnc(C(=O)N2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 36734289 FNYHEDBPVFEEBU-UTKZUKDTSA-N 425.508 2.735 0 40 IFAB C[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)n1nc(-c2ccc(F)cc2)ccc1=O 49059906 BPXITFHARMUTFZ-CYBMUJFWSA-N 430.461 2.621 0 40 IFAB CCOC(=O)CN1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 57427876 UJLQPKUWNRYASX-UHFFFAOYSA-N 436.512 2.996 0 40 IFAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1CC 57585937 AYRZSPSDYXEGOS-FUHWJXTLSA-N 429.517 2.893 0 40 IFAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)n2N)cc1 58017863 XCZHREQKUYQYLX-YLJYHZDGSA-N 436.585 2.839 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(C(=O)c4ccncc4)CC3)CC2=O)cc1C 70926146 RDZLEIAMPKTDSP-NRFANRHFSA-N 434.540 2.720 0 40 IFAB Cc1cc(CN2CCc3nc(C4CCN(C(=O)[C@H]5CCCO5)CC4)[nH]c(=O)c3C2)cs1 72398976 LQZSTGWFTIEAIT-HXUWFJFHSA-N 442.585 2.583 0 40 IFAB CCOC(=O)c1cccc(S(=O)(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)c1 78808808 MIKALBMTHVRTQA-GOSISDBHSA-N 431.470 2.631 0 40 IFAB O=C(NCC1([C@H](O)c2ccccc2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 89825931 HPAOSJQSWJRRTP-NHCUHLMSSA-N 428.554 2.860 0 40 IFAB Oc1cccc([C@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)c1 111999842 ZBAOZNZHUUSBPO-INIZCTEOSA-N 438.245 2.999 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1CN1CCc2ccccc21 195529377 YMDLGCXXGKIUIB-VBVDBJQASA-N 427.504 2.995 0 40 IFAB O=C(NCc1nc(-c2cccs2)no1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 219251057 OCWACQJEBJCBFH-UHFFFAOYSA-N 446.554 2.656 0 40 IFAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 223415765 WEYJDSPVFSFSAR-UHFFFAOYSA-N 426.520 2.809 0 40 IFAB COc1cccc(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 223518464 HBWQHZMEWPMFCB-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB CN([C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1)S(C)(=O)=O 223766963 YVJOEQAOQLDIKK-HXUWFJFHSA-N 441.509 2.781 0 40 IFAB CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224471007 PLZSYAMXFOSATI-UHFFFAOYSA-N 440.905 2.785 0 40 IFAB C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1ccccc1F)S(C)(=O)=O 225840517 GTHFUDRCFARDAA-QGZVFWFLSA-N 434.533 2.845 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 253486960 BNQWFBYQJUWALC-HAGHYFMRSA-N 435.867 2.946 0 40 IFAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 253596729 VJXFDZRSUUSAGA-YNBNMUPSSA-N 439.556 2.849 0 40 IFAB CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nc1C 257235551 GYGSSDJOKCHCNG-QGZVFWFLSA-N 440.544 2.809 0 40 IFAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)COc2ccccn2)C1)C1CCCCC1 257256248 KKRDHIKULNPXOM-QGZVFWFLSA-N 425.533 2.994 0 40 IFAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408665324 RKHLMXQRLNACDD-PCOHPHRISA-N 426.513 2.713 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 408669414 VYLFOYSMXDWKMD-INIZCTEOSA-N 439.468 2.579 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408671923 YJXOZBLQWGSKNU-QEWLZKHVSA-N 425.268 2.506 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCC(=O)O)C1=O 409211668 NQYBSDBKXYZTET-YVLHZVERSA-N 442.449 2.834 0 40 IFAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 500539572 HPGADVDLPXIUEG-LLVKDONJSA-N 436.896 2.527 0 40 IFAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 539683036 FVHMDGBHYXDVNK-AVRDEDQJSA-N 433.508 2.761 0 40 IFAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)C1CN(c2cc(-n3ccnc3)ncn2)C1 575609526 MSMXNGXZJXGFOU-UHFFFAOYSA-N 449.515 2.720 0 40 IFAB COc1cccc(CN2CCCN(C(C)=O)c3ccccc3CN(C(=O)[C@@H](C)N)CC2)c1 643555814 FUKZMDWEGVRRCI-LJQANCHMSA-N 438.572 2.630 0 40 IFAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)cc1 2409301 CMKVFQJEVMTNIP-UHFFFAOYSA-N 429.502 2.806 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 2653394 JGBMQPYHHSUWEY-UHFFFAOYSA-N 428.466 2.578 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NC1CCCC1 3228501 RIEYNYSFAKPLII-UHFFFAOYSA-N 428.510 2.654 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCn1nc(C)cc1C 8778339 TZPBLWDXTVPNPT-UHFFFAOYSA-N 448.589 2.893 0 40 IFAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C 9124147 RHGKYCVQVDOWBZ-DHZHZOJOSA-N 429.480 2.770 0 40 IFAB COc1cccc(N2CCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)c1 9124204 BSBZJKRMGYQJQK-JXMROGBWSA-N 429.480 2.770 0 40 IFAB CCN(CC)C(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 9238837 YZFNBONPRWVJSB-GJZGRUSLSA-N 440.367 2.985 0 40 IFAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9254546 IJCLHGWLTVEGAI-UHFFFAOYSA-N 447.520 2.567 0 40 IFAB Cc1cccc(OCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C 9589524 HTSKXJWGRVHKMY-UHFFFAOYSA-N 446.525 2.649 0 40 IFAB O=C(NCc1nnc2ccccn12)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9746042 GDBHEGLUUGUPHL-UHFFFAOYSA-N 449.536 2.600 0 40 IFAB C[C@@H]1Cc2cc(C(=O)CSc3nnc(-c4cccnc4)n3C)ccc2N1S(C)(=O)=O 9767599 BCLYWNKDFOBFIL-CYBMUJFWSA-N 443.554 2.563 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C)c1 9807434 LUKGWCPDFZAQII-GOSISDBHSA-N 429.542 2.520 0 40 IFAB COc1ccc(C(=O)N2CCN(c3nc4ccc(S(C)(=O)=O)cc4s3)CC2)cc1 10337283 LGIDRXIDGBFZOZ-UHFFFAOYSA-N 431.539 2.671 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 11858118 KNQWAXGDMOIHFR-UHFFFAOYSA-N 448.444 2.881 0 40 IFAB O=C1N[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 11859173 BODOZRWTHTUGOG-DVOMOZLQSA-N 444.207 2.948 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)cc1OC 12230948 XUHZLNBHOQKPQF-UHFFFAOYSA-N 442.443 2.715 0 40 IFAB Cn1ccnc1[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(F)(F)F 12550476 MBNHTHPXGHMDHE-HNNXBMFYSA-N 431.436 2.668 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1Br 12560878 GUMJETKNUVFGDN-UHFFFAOYSA-N 445.360 2.999 0 40 IFAB Cc1ccc(NC(=O)C[S@](=O)CC(=O)NC[C@H]2OCCc3ccccc32)cc1Cl 12643693 LDFOQFAOXWEIPP-XBBWARJSSA-N 434.945 2.766 0 40 IFAB COc1ccc(NC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 12896512 XZRUCFVAKOAQIB-UHFFFAOYSA-N 443.500 2.818 0 40 IFAB biogenic CN(C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCCc2ccccc21 13109027 TVRIWMIYKMOHQS-IBGZPJMESA-N 433.599 2.590 0 40 IFAB O=C(COC(=O)CSc1ccc(Br)cc1)NC(=O)NCc1ccco1 13127063 OIWWMRWSZNOANH-UHFFFAOYSA-N 427.276 2.703 0 40 IFAB NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)C1 14129095 WSSJQJQCQNZLHL-ZDUSSCGKSA-N 449.964 2.661 0 40 IFAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 15912194 MOXWAWKOULDSGT-HZPDHXFCSA-N 427.526 2.952 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1C 15953606 MLRFPBSLKXMWGQ-LJQANCHMSA-N 439.464 2.869 0 40 IFAB biogenic CCc1cc2c(=O)n(CCc3ccccc3)c(SCc3nc(N)nc(N)n3)nc2s1 17668376 WQKISHCKHGXCBV-UHFFFAOYSA-N 439.570 2.905 0 40 IFAB O=C(c1cc(O)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 18104169 ATTBZWZVWHLSFW-UHFFFAOYSA-N 437.521 2.576 0 40 IFAB Cc1ccc2c(c1)c(=O)c(C(=O)N1CC[C@H](c3ncncc3-c3noc(C)n3)C1)cn2C 19693865 OLDCXHXXDWOKFF-HNNXBMFYSA-N 430.468 2.625 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCC3CCCC3)CC1)C2=O 19699369 RSMBZAGQJGVNIG-UHFFFAOYSA-N 446.592 2.517 0 40 IFAB Cc1cc(C)nc(NCCCC(=O)N2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)n1 19761612 MWHYGFSWBJILPJ-KRWDZBQOSA-N 432.528 2.949 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1C 20008604 BSPHNZYAQCPSSU-FQEVSTJZSA-N 428.510 2.803 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1C 20244837 IGLMXJAQAMPGGH-UHFFFAOYSA-N 433.530 2.650 0 40 IFAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc4oc(=O)ccc4c3)CC2=O)cc1OC 20718984 DBPSOTPWDVZAHJ-KRWDZBQOSA-N 436.464 2.840 0 40 IFAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)N2CCCCCC2)CC1 24143468 AYLMHDHOQBYMSA-UHFFFAOYSA-N 429.605 2.960 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)CSc2nccc(C(F)(F)F)n2)s1 25256723 BJMTZTCGXIAMCM-UHFFFAOYSA-N 425.479 2.624 0 40 IFAB CCOC(=O)COc1ccc([C@@H](C)NC(=O)c2cc(OC)c3c(c2)OCCO3)cc1OC 32921915 PXUBUOUCBCYHMG-CQSZACIVSA-N 445.468 2.908 0 40 IFAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 35300801 VZUAHBUMIYPEBP-LFIBNONCSA-N 425.554 2.732 0 40 IFAB CCc1nc2nc3ccn(CCN4CCOCC4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 38828903 ADEMDBDCOJQPSG-UHFFFAOYSA-N 438.919 2.654 0 40 IFAB O=C(NCC1(c2ccccc2)CCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 40096627 TUQWVJRAPHXDGX-UHFFFAOYSA-N 429.542 2.951 0 40 IFAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCc3nc(C(C)(C)C)no3)cc2)C1=O 48344041 DKOKZICCCKMOAG-UHFFFAOYSA-N 441.532 2.837 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nccn3c2=O)c(OC)c1 49008287 DAXZIVQWQGAOKS-UHFFFAOYSA-N 435.440 2.648 0 40 IFAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(CN(C)CCOc2ccc(F)cc2)C1=O 49581084 UWJWNPUFMRQCMV-QHCPKHFHSA-N 427.476 2.886 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCC[C@H](C)C3)CC1)O2 72328005 LTILUIFHQLGOCN-LLJLJFOGSA-N 427.545 2.516 0 40 IFAB COc1ccc(CNC(=O)c2c[nH]nc2NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 95466371 DLDOGQVKDLFHMX-UHFFFAOYSA-N 438.868 2.942 0 40 IFAB COc1cc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)ccc1OCC(C)C 95951210 SRXJEEAQUYJLFS-XDHOZWIPSA-N 435.505 2.769 0 40 IFAB COC(=O)C1=NOC2(CCN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)CC2)C1 96011928 OZMZPZDQKYGCJO-UHFFFAOYSA-N 436.390 2.815 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 113945055 HRRJLBITEQSXMD-FUHWJXTLSA-N 432.542 2.982 0 40 IFAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(OC)cc1)N(c1ccccc1F)S(C)(=O)=O 220601753 AHGJTCQBYFCPHT-KXBFYZLASA-N 438.521 2.963 0 40 IFAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 222569629 ZOUUXUUXNGBMNM-INIZCTEOSA-N 448.541 2.776 0 40 IFAB CN(CCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 222681949 YBESCYXGTBIBEK-UHFFFAOYSA-N 425.501 2.764 0 40 IFAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)c1 223907316 UAQZZLHGUHSGMM-UHFFFAOYSA-N 446.485 2.533 0 40 IFAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSCc1ccco1 224095732 WABIDTSYVFIABS-SFHVURJKSA-N 426.560 2.882 0 40 IFAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224638330 XTRRYQFCYNTIRR-SFHVURJKSA-N 445.585 2.762 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 225010062 VWRLTOSNUHOJKJ-KRWDZBQOSA-N 447.557 2.633 0 40 IFAB Cc1cccc(CN(C(=O)CN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1 225502047 RGEPHVIGZIFRGY-IBGZPJMESA-N 445.585 2.703 0 40 IFAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccc(I)cc2)CC1 226259001 BPIKFJMFHLRDGA-UHFFFAOYSA-N 436.297 2.878 0 40 IFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515992 PDXCEXPRYLTROM-QWFCFKBJSA-N 437.901 2.517 0 40 IFAB CO[C@@H]1/C=C/[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@H](C)CC/C=C/1C 253390071 XBLHNZRXAORYAC-RHAGMTELSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1C 520279285 VUQWEHQQQFLURW-UHFFFAOYSA-N 426.535 2.602 0 40 IFAB O=C(CCSc1ccccc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148456 DLOSEMKLQUGLPV-UHFFFAOYSA-N 429.464 2.986 0 40 IFAB CC(C)c1cnc(Nc2cccc([C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1 643550576 KHRMTMDOBIIOIO-OAHLLOKOSA-N 448.574 2.901 0 40 IFAB O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 992621 DHODWVJCTVYWEF-NNWMPZTLSA-N 436.496 2.688 0 40 IFAB CN(C)C[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)CN(C)C)cc2)cc1 1288618 JAASKQSZJDOJLJ-VXKWHMMOSA-N 430.589 2.615 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)S1 6116637 UUOPTRIAEYJCAT-HXUWFJFHSA-N 446.554 2.971 0 40 IFAB CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6501177 YPKAOQBZJXGCMB-HNNXBMFYSA-N 449.552 2.941 0 40 IFAB CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NCc1cccnc1 8254525 RCXKZJCDCZMMLX-OALUTQOASA-N 431.558 2.834 0 40 IFAB biogenic,in-vitro O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1-c1ccc(Br)cc1 8601167 AARDZJCSDCZMPW-UHFFFAOYSA-N 445.292 2.754 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1 8770331 QBFIHIMIERYUPQ-OAQYLSRUSA-N 435.480 2.817 0 40 IFAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917279 JYXREXTYYPOUDU-KUHUBIRLSA-N 425.462 2.534 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1ccc2c(c1)OCO2 9128017 MQLZDUFIAHVXDS-KRWDZBQOSA-N 436.420 2.531 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCSc2ccccc21 9338985 BTMFBDBJMGSKEI-INIZCTEOSA-N 447.582 2.647 0 40 IFAB COc1cccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccc(Cl)cc4)cnc32)c1 9823231 QGILQQGRUXFFMU-UHFFFAOYSA-N 437.887 2.733 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C 10026562 PUYQIEPBLCRYKA-MRXNPFEDSA-N 443.500 2.759 0 40 IFAB CSc1nc(C)c(CCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c(=O)[nH]1 11147087 XXDIBLZALJPYGC-UHFFFAOYSA-N 426.498 2.895 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 11557034 KXZLQTHGOUUNBL-UHFFFAOYSA-N 430.526 2.626 0 40 IFAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCC[C@H](c4ccccc4)C3)CC2)Nc2ccccc21 12085636 KIVVFJASMRTLPS-RXFWQSSRSA-N 446.551 2.957 0 40 IFAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 12162979 FCRIDGYCOYMMEJ-LJFZDNNRSA-N 428.577 2.573 0 40 IFAB Cc1nc(-c2cc(C)n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2C)cs1 12763355 BQCXGMJJTAZFFN-UHFFFAOYSA-N 432.571 2.543 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)cc1 12768855 KMAOIHJSCWMWNJ-QGZVFWFLSA-N 429.542 2.799 0 40 IFAB CN1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2F)c2nc3ccccc3nc21 12775560 AQWOQPQGZCHOFX-UHFFFAOYSA-N 425.439 2.901 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cnc2ccccc2c1 12781839 PRYVBSIFSBKYEN-NRFANRHFSA-N 441.509 2.948 0 40 IFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(OC)c1 12998716 ORUPIIIWLVAWLD-UHFFFAOYSA-N 425.529 2.646 0 40 IFAB CCc1nc(SCC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c2c3c(sc2n1)CCCC3 13510527 KHRBXJIXFUSVMW-UHFFFAOYSA-N 431.543 2.548 0 40 IFAB Cn1c(CNC(=O)[C@@H]2COc3ccccc3O2)nc2cc(NC(=O)c3ccco3)ccc21 13721136 HRQAAAOQZIZUIP-FQEVSTJZSA-N 432.436 2.875 0 40 IFAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 14417883 PTLUZDOHSQQXEI-GFCCVEGCSA-N 444.513 2.974 0 40 IFAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2C)c1 17135912 HDQAZQHMBKVXFT-UHFFFAOYSA-N 435.509 2.844 0 40 IFAB COc1cc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1OCc1ccccc1 18160816 YLAUDMHCLYLUEP-BGYRXZFFSA-N 434.492 2.842 0 40 IFAB CC(C)c1cc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)n(C)n1 19452266 DXJDVDBTHUAPLM-QGZVFWFLSA-N 440.544 2.632 0 40 IFAB CCCC(=O)N1CCc2nc(C3CCN(C(=O)CCc4ccccc4)CC3)[nH]c(=O)c2C1 19501616 ICDHXSTVNJGNMW-UHFFFAOYSA-N 436.556 2.794 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1OC 20005208 NEUCISIWKWAWPQ-IBGZPJMESA-N 444.509 2.503 0 40 IFAB CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 20610723 CQCPNMABNNJHRU-GBPOLFSSSA-N 427.570 2.883 0 40 IFAB biogenic COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)N2CCN(C)CC2)cc1 22795624 KVINUJBPMQBAMM-QFIPXVFZSA-N 438.572 2.664 0 40 IFAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CC(=O)NCc1ccccc1OC(F)(F)F)C2=O 24840804 LLZRUWOKOIVOSK-CHWSQXEVSA-N 427.423 2.948 0 40 IFAB Cc1ccc(-n2c(S[C@H](C)C(=O)NCc3ccco3)nnc2N2CCOCC2)cc1 24982742 VXCFEGFDSVDKTQ-MRXNPFEDSA-N 427.530 2.802 0 40 IFAB COc1ccc(-c2noc(CCC(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)n2)cc1 25399978 WWZGYAOHWIKINH-LJQANCHMSA-N 440.500 2.769 0 40 IFAB CC(=O)N1CCc2cc(NC(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)ccc21 32753088 ILFSMOWDPDHBDD-QUCCMNQESA-N 427.501 2.516 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCC[C@@H]3C)c2)CC1 32969001 VFTPXGHEOWSUJS-HNAYVOBHSA-N 427.998 2.975 0 40 IFAB COc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3ccc(C)cc3)c(N)n2)CC1 33301856 QRHIXWCAKJAYCL-UHFFFAOYSA-N 439.541 2.535 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)c(C)c1 34854172 APBSRRFXRYKZRG-JOCHJYFZSA-N 441.597 2.804 0 40 IFAB COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NCCC(C)C)[C@H]5C3=O)nc2c1 35485595 NPPRPFRBLXMZIG-YDGKCNFYSA-N 427.526 2.754 0 40 IFAB O=C(CN1CCN(c2ccc(F)cc2)CC1)NC(=O)NCCc1c[nH]c2ccc(F)cc12 35754357 QOJPBHFTAYRKIG-UHFFFAOYSA-N 441.482 2.637 0 40 IFAB O=C(NCc1cccs1)C(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 43942442 UJZSIJMGIXZPEU-UHFFFAOYSA-N 425.510 2.779 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H](C)O1 48254010 NGODZMZVKPYIJB-HDICACEKSA-N 431.558 2.838 0 40 IFAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 57427289 ZTRCUPXWZSNFLH-UHFFFAOYSA-N 447.513 2.689 0 40 IFAB O=S(=O)(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2C2CC2)CC1 71889338 VEUXCIXGOMDMMA-OAQYLSRUSA-N 444.605 2.854 0 40 IFAB O=C(NCc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1 72321227 VXRQRQYFDQFVJC-ISKFKSNPSA-N 446.507 2.864 0 40 IFAB biogenic,in-vitro C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccncc1 72403467 KDHYIVMGJNTFGQ-AWEZNQCLSA-N 436.343 2.925 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H](CO)Cc3ccc(Cl)cc3)ccc21 78995343 AFZKCYDHVBGMSH-MRXNPFEDSA-N 436.961 2.633 0 40 IFAB CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 79096932 QVHADFREIULRHE-MSOLQXFVSA-N 433.553 2.964 0 40 IFAB CC(C)(C)OC(=O)NCCNC(=O)c1ccnc(Cl)c1I 95449157 LROHTWLFYUMBPC-UHFFFAOYSA-N 425.654 2.594 0 40 IFAB CCCCc1nc(C)sc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 96231818 BITNUNGWTMWCMS-LJQANCHMSA-N 429.542 2.919 0 40 IFAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)C2)cc1 96378262 JHIDLWQJFZVOGH-UHFFFAOYSA-N 449.472 2.702 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 100664368 AMXSMFQLGWWOJK-NCJAFJHGSA-N 434.275 2.772 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 101416172 VBCCOOXRTMXSFS-ZWKOTPCHSA-N 427.848 2.671 0 40 IFAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(C)=O)N2c4ccc(C)cc4C=C[C@H]32)cc1 103458467 QFOXYBRIWZFRPC-ODAXIHTASA-N 430.460 2.899 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c1 206846579 VCMWHKTZYSGWAH-INIZCTEOSA-N 431.470 2.541 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCCCCC3)CC2)c1 216352588 TXZBTJGZODPOJG-UHFFFAOYSA-N 435.634 2.919 0 40 IFAB CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)s1 222910650 PDDKTIKMPJNDJN-UHFFFAOYSA-N 448.964 2.818 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CCCN1CCOCC1 223169488 UECULOYVJGGBOU-GOTSBHOMSA-N 448.596 2.962 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOc1ccccc1C(C)C)O2 223791390 XIUJSPVEPIDNNF-NRFANRHFSA-N 432.542 2.841 0 40 IFAB CC(C)[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225197559 FRKASSVZXKKNQE-HNNXBMFYSA-N 436.505 2.953 0 40 IFAB CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(OC)c3)CC1)COC2 306122952 AALWKRCEOQATNC-KRWDZBQOSA-N 427.549 2.628 0 40 IFAB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1ccc(O)c(OCC)c1)N=2 408733068 VOYQCBHLDNSURX-IISPMBILSA-N 430.526 2.763 0 40 IFAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1OCC 409201038 LLADZBPTROIWPO-GZQZNAIASA-N 434.514 2.816 0 40 IFAB CCN1CCN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1 409412226 UKQDIUIKRAHMCP-UHFFFAOYSA-N 428.769 2.577 0 40 IFAB CS(=O)(=O)N1CCC(c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)CC1 1501040202 FKYYBRBLIWYRHK-UHFFFAOYSA-N 431.587 2.794 0 40 IFAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2)NCc1ccccc1Cl 1547200995 GDFNWKGRTIUMOZ-UHFFFAOYSA-N 432.267 2.656 0 40 IFAB O=c1c2ccc(F)cc2ncn1CC1CCN(Cc2noc(C3CCOCC3)n2)CC1 1848670020 RXBTZPFXKBVBSA-UHFFFAOYSA-N 427.480 2.725 0 40 IFAB NS(=O)(=O)c1ccc(CCn2ccc(O)c(Cc3c(F)cccc3Cl)c2=O)cc1 1405645 UQGPQKYZUUVVMY-UHFFFAOYSA-N 436.892 2.827 0 40 IFAB O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(OCc2ccccc2)cc1 2078937 YCWAJOLDLKOXGZ-UHFFFAOYSA-N 439.489 2.970 0 40 IFAB Cc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2c3c(sc2n1)CCC3 3267074 DRTRRMUYLLQMQE-UHFFFAOYSA-N 434.568 2.867 0 40 IFAB O[C@@H](CNCCCCCCNC[C@H](O)CCOc1ccccc1)COc1ccccc1 4686164 QRQXKWQQPIBTQJ-PKTZIBPZSA-N 430.589 2.996 0 40 IFAB CCN(CC)CCn1c2c(c(SCC(=O)N3CCc4ccccc43)nc1=O)CCC2 5254227 ZMLNLHWUYRGRIR-UHFFFAOYSA-N 426.586 2.755 0 40 IFAB CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 6149683 GCYSOMXMBBCDIE-UHFFFAOYSA-N 430.530 2.606 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCCOc1ccccc1F)n2C 9093232 IIVLTCSSJJMARY-UHFFFAOYSA-N 449.504 2.518 0 40 IFAB COc1ccc(/C=C/C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1OC 9563086 CCUJSOWJGYNURO-JXMROGBWSA-N 445.479 3.000 0 40 IFAB O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NC(=O)NC1CCCC1 9782312 LTFSMGBUTVDGNE-UHFFFAOYSA-N 435.908 2.504 0 40 IFAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)NC(=O)[C@@H]1COc2ccccc2O1 9819795 UBTSHXMUWKPFQD-HNNXBMFYSA-N 442.522 2.916 0 40 IFAB COc1ccc(CNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1 9860649 WNHFMEKWPYEYQQ-MOPGFXCFSA-N 445.566 2.614 0 40 IFAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2n[nH]c(N)n2)cc1OC 9908777 CEJIDNAFNJDKEJ-ZDUSSCGKSA-N 444.542 2.936 0 40 IFAB CCCCn1c(N)c(N(C(=O)CN2CCC[C@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O 9949537 KNQIJHJGMGDGQA-MJGOQNOKSA-N 445.608 2.849 0 40 IFAB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)cc1 10295935 CIWIRJWMXUHLTJ-FQEVSTJZSA-N 447.455 2.946 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(F)(F)F)cc4)nc32)cc1 12080840 YOIQGDWYBDHGDI-UHFFFAOYSA-N 429.358 2.902 0 40 IFAB CCN(Cc1ccccc1)C(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086583 JFBGMYWDCYZMCC-VWLOTQADSA-N 435.524 2.609 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 12748781 WAPHHAVILAFRGH-UHFFFAOYSA-N 437.521 2.945 0 40 IFAB O=C(c1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12759966 UEBFMJUCTIFQSX-UHFFFAOYSA-N 436.480 2.923 0 40 IFAB CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12881439 RAWQDIFABIDSLL-UHFFFAOYSA-N 443.569 2.519 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)c(C)c1 12973179 RZFDFQWVFUHMJU-FQEVSTJZSA-N 428.554 2.696 0 40 IFAB COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)S(C)(=O)=O 13566751 ZGOSBDOQXFHQTH-UHFFFAOYSA-N 445.541 2.726 0 40 IFAB O=S1(=O)C[C@H]2N=C(SCCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@H]2C1 13720764 QFZOQAOCVZSNJP-MSOLQXFVSA-N 446.550 2.959 0 40 IFAB C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1ccc3c(c1)CCO3)CC2)c1ccccc1 14532671 NKUSLXJXJNSOEY-GOSISDBHSA-N 446.551 2.860 0 40 IFAB Cc1cc(C)n2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)nc2n1 16044218 NAQSSCRMALIPQR-UHFFFAOYSA-N 442.545 2.867 0 40 IFAB Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(C(=O)C3CC3)CC4)C2)cc1 19135706 RPPHNTCDRIWCSO-LPHOPBHVSA-N 434.540 2.905 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC(=O)N(C(C)C)C4)C3)cc2n1 19522357 QBLJXXXIBMDGOM-KGLIPLIRSA-N 437.466 2.883 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3cnn(C)c3C)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738868 BAIWFTJAVIDQTP-IBGZPJMESA-N 444.539 2.936 0 40 IFAB Cn1c(=O)c2ccc([C@H]3CCCN(Cc4ccncc4)C3)nc2n(Cc2ccccc2)c1=O 19743046 KKWJXEKVPQYNMS-NRFANRHFSA-N 441.535 2.918 0 40 IFAB CCS(=O)(=O)c1ccccc1C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 24977315 YYJMMKCAGMKBEE-UHFFFAOYSA-N 432.523 2.785 0 40 IFAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCC2(CC1)OCCO2 28090778 IYGPIKMAQDXGIN-UHFFFAOYSA-N 442.965 2.884 0 40 IFAB COC(=O)c1sccc1NC(=O)CN1C(=O)COc2cc(Br)ccc21 31745332 QDILSNXAQPFQDI-UHFFFAOYSA-N 425.260 2.661 0 40 IFAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2Cl)CC1 32795563 QBAUKKCSJRHHDR-UHFFFAOYSA-N 442.947 2.844 0 40 IFAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 32885755 FNPDIIJKTZJAJF-OAHLLOKOSA-N 442.607 2.609 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCCS(=O)(=O)Cc2ccccc2)cc1OCC 32916432 NXFYZRJTZHPXME-UHFFFAOYSA-N 441.571 2.767 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c1 35504000 CSKQEHVCKAMMDJ-UHFFFAOYSA-N 435.977 2.580 0 40 IFAB Cc1c(S(=O)(=O)NCCCn2nc(C(F)(F)F)c3c2CCC3)cnn1C(F)F 36614735 CQHPYDLHXOYPJP-UHFFFAOYSA-N 427.399 2.659 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)CCn2c(=O)cc(C(F)(F)F)c3cn(C)nc32)c1 36621449 GRYPDJYHNAFKPX-UHFFFAOYSA-N 436.390 2.878 0 40 IFAB COC(=O)c1cn([C@H]2CCCC[C@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 40152709 ASZIXOMBHPJYBW-HIFRSBDPSA-N 431.518 2.697 0 40 IFAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)on3)c2=O)c1 57428046 OBIYCJBRVNIJBX-UHFFFAOYSA-N 440.481 2.607 0 40 IFAB CCOC(=O)CNC(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 57487011 GNQAIGUVTHGKFY-UHFFFAOYSA-N 438.362 2.783 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CCO1 65380943 USPCLRNPSGESII-IRXDYDNUSA-N 436.281 2.573 0 40 IFAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NCc2ccccc2Cl)c1=O 67235210 XEXIMYNOKMVXHC-UHFFFAOYSA-N 436.899 2.676 0 40 IFAB CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC 67286471 IGRUNOWHTWEOHL-IBGZPJMESA-N 447.532 2.760 0 40 IFAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(OC)ccc2OC)c1C 71327431 IQSPVDPXBZYNMH-UHFFFAOYSA-N 439.472 2.893 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1ccncc1 95482703 KDHYIVMGJNTFGQ-CQSZACIVSA-N 436.343 2.925 0 40 IFAB CSc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 96103279 FMRINIVWBHZBLL-IBGZPJMESA-N 427.526 2.714 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NCc3ccc(C(=O)c4ccsc4)s3)cc21 96119921 TVLMTQYEFXPRQF-UHFFFAOYSA-N 434.520 2.964 0 40 IFAB O=C1C[C@H](N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(Br)cc1 96839674 OQFXOSDQVDMIJR-SFHVURJKSA-N 430.302 2.609 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4nc(C)cc4C)cc3)CC2)cc1 108213005 CKOLRQYBWIVRFX-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 219443463 DGXMMHDLPRYGIG-UHFFFAOYSA-N 430.482 2.735 0 40 IFAB CCOc1ccc(N([C@H](CC)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1 220678275 XMDRUPGIQVQWQT-OAQYLSRUSA-N 433.574 2.883 0 40 IFAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21 223113531 SZTMDMIZDSZUAQ-UHFFFAOYSA-N 426.542 2.986 0 40 IFAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCN(C)CC2)cc1OC 224381683 CBNZXNVHFNOGSC-JXAWBTAJSA-N 429.542 2.747 0 40 IFAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225461553 IYPBSKIVWZYAQO-KRWDZBQOSA-N 449.548 2.534 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225758653 NBOYEUZPSCONQP-UHFFFAOYSA-N 429.480 2.568 0 40 IFAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 226654851 MEQUQAJVQWRJRK-UPUUWEMXSA-N 447.443 2.619 0 40 IFAB CC(=O)N1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)[C@H](c2ccccc2)C1 257291908 QJEVBVREQHMFAR-QFIPXVFZSA-N 441.553 2.662 0 40 IFAB Cc1nc2ccc(NC(=O)[C@H]3CN(C(=O)c4cnc(C(C)C)nc4)CCN3C)cc2s1 257324387 WOMKYFWIMVTSAO-GOSISDBHSA-N 438.557 2.913 0 40 IFAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 409028556 ORGHOCSJGGDKMJ-OAHLLOKOSA-N 433.530 2.627 0 40 IFAB CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NC3(C)Cc4ccccc4C3)c2)CC1 510072436 MEUIFVSEPUZQIG-UHFFFAOYSA-N 442.585 2.692 0 40 IFAB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 3617921 GSZWEFSGRANURM-KRWDZBQOSA-N 430.464 2.933 0 40 IFAB Cc1ccccc1NC(=O)Cn1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1N 8690984 RAQNUHQOECDGKL-UHFFFAOYSA-N 427.530 2.938 0 40 IFAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 9056536 YPSWDUQDKYKQIX-UHFFFAOYSA-N 426.893 2.936 0 40 IFAB COC(=O)c1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCC2)c1 9322944 YHOGDZIXMMGMAH-UHFFFAOYSA-N 431.514 2.698 0 40 IFAB COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 9451424 UPGHJCOWZRPGST-CYBMUJFWSA-N 426.926 2.930 0 40 IFAB Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C 9684639 HLVHDYNIMRYGCF-UHFFFAOYSA-N 428.963 2.930 0 40 IFAB CC(C)[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)c1cnn2cccnc12 12220310 SPEUSOFGKUIQEE-LJQANCHMSA-N 438.438 2.686 0 40 IFAB COc1ccc2cc(CN3CCc4c(nc(-c5cccnc5)[nH]c4=O)C3)c(OC)nc2c1 12222674 XYHVSZFCODERCL-UHFFFAOYSA-N 429.480 2.956 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[nH]2)c(OC)c1 12347817 WJCOOQBPXDODCW-UHFFFAOYSA-N 426.498 2.812 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(C)cc4)no3)N(C)C2)cc1 12529758 GJBOIMDRDPBNQT-LPHOPBHVSA-N 428.514 2.777 0 40 IFAB biogenic,in-vitro CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 12688266 OFKKIAMETCVDLR-AWEZNQCLSA-N 441.465 2.856 0 40 IFAB CNC(=O)CN(c1cc(OCCOC)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1 12950094 ZEMYPZYLYFMSHV-UHFFFAOYSA-N 447.340 2.960 0 40 IFAB O=C(Nc1ccc(F)cc1F)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 12961190 RCWZUPBKSRJPLE-HXUWFJFHSA-N 433.480 2.726 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccccc1Cl 13041136 YTWZJGJUBFEYSK-HNNXBMFYSA-N 439.940 2.663 0 40 IFAB CC(C)n1c(N2CCN(C(=O)C3CC3)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3 13623938 FJNYYGQWHSPSDJ-UHFFFAOYSA-N 430.574 2.949 0 40 IFAB CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1cccs1 14704059 LMIACFZKPSQZNU-UHFFFAOYSA-N 433.511 2.530 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1 15987240 COEJPLOFJHFKOC-MRXNPFEDSA-N 447.532 2.678 0 40 IFAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)n2N)c(C)c1 18372587 QNMIQBARMBHSKO-HNNXBMFYSA-N 429.550 2.657 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19591177 SHJAKPMDLUYFLX-QHCPKHFHSA-N 436.537 2.710 0 40 IFAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19591179 GBNSRVNWTOHCJZ-QHCPKHFHSA-N 436.537 2.710 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CN(CC(=O)N(C(C)C)C1CCCCC1)CC2 19710505 MISXMBGTVHGIBO-UHFFFAOYSA-N 428.625 2.913 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)c3snnc3C)C2)ncc1C(=O)NCc1ccccc1 19763561 TXSYKEMJJAVBPS-KRWDZBQOSA-N 436.541 2.895 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2CN2CCCC2)c1 21962359 NKYMHCOZNXEMMD-UHFFFAOYSA-N 429.586 2.884 0 40 IFAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 22246402 MXKWQNXKWLTOPT-QGZVFWFLSA-N 443.352 2.742 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ccn3n2)cc1 24007512 HNNNWCSSVOJBAX-UHFFFAOYSA-N 446.463 2.987 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1nnc2ccccn12 26503959 ORBTVQKEZXMRBF-KRWDZBQOSA-N 430.306 2.563 0 40 IFAB C[C@@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 26858572 HXXBHOIBWDASBD-MRXNPFEDSA-N 435.480 2.574 0 40 IFAB O=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)NCc1ccco1 32615497 OEKZPAWUCREXCG-UHFFFAOYSA-N 425.470 2.623 0 40 IFAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCN(C(C)=O)CC1 32740457 OICZAFNQVVGUOQ-QGZVFWFLSA-N 446.400 2.972 0 40 IFAB Cc1ccc(S(=O)(=O)c2cnc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2N)cc1 33301837 XAQIEDRWMVWMDU-UHFFFAOYSA-N 447.561 2.694 0 40 IFAB Cc1cc(NC(=O)CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)no1 36708510 RJIYVNOARXQEKO-UHFFFAOYSA-N 428.493 2.970 0 40 IFAB O=c1c(Cl)c(N2CCN(C[C@H]3COc4ccccc4O3)CC2)cnn1-c1ccccc1 57473810 LLCWEEQMDZTWEH-SFHVURJKSA-N 438.915 2.848 0 40 IFAB COc1cccc(N2C[C@@H](C(=O)N3CCC[C@H](c4nnc(C(F)(F)F)o4)C3)CC2=O)c1 77197816 RWYPBYFFMVGDKY-STQMWFEESA-N 438.406 2.856 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](c4nc[nH]n4)C3)cc2)cc1 79019820 KGRPLMNRKARYAN-MRXNPFEDSA-N 441.513 2.634 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2)n1 89594294 HTOPMVYBJSMBME-UHFFFAOYSA-N 442.516 2.775 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)c(OC)c1 100069171 DJJFFWJROZOSFP-AWEZNQCLSA-N 447.451 2.827 0 40 IFAB CCc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 101169720 INQUKAOOEJSHBI-QZTJIDSGSA-N 429.839 2.973 0 40 IFAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1N1CCCC1=O 219230349 QQIMFVMFNUWIAW-UHFFFAOYSA-N 442.497 2.693 0 40 IFAB COc1ccc(N(CCCC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)cc1 222659758 BVFHXEQBZDUZFP-UHFFFAOYSA-N 445.585 2.810 0 40 IFAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 223188364 OOGNCTVFELEPSV-KRWDZBQOSA-N 428.554 2.996 0 40 IFAB COc1ccccc1N(CC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223524142 XJIXOORMVQFSRE-UHFFFAOYSA-N 428.510 2.810 0 40 IFAB CC(C)(C)c1ccccc1OCCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 223719641 KDMOKTPJWVFGNE-UHFFFAOYSA-N 430.526 2.714 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCOCc1ccccc1)O2 224490470 XIVCPNXVFBXCOY-NRFANRHFSA-N 446.569 2.844 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)ccc21 225109095 YBJVCYMQVJFQNI-QGZVFWFLSA-N 447.538 2.557 0 40 IFAB Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 225690979 DJZUJAYONBOELN-UHFFFAOYSA-N 431.558 2.924 0 40 IFAB CO[C@H]1CCN(c2ccc(C(=O)N3CC(n4cc(COc5ccccc5)nn4)C3)cc2)C1 245053427 OTYFDUCXWCGQPT-QHCPKHFHSA-N 433.512 2.779 0 40 IFAB O=S1(=O)CC[C@H](S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)C1 247309069 HYUVTUBBICEMDR-FUHWJXTLSA-N 442.534 2.915 0 40 IFAB O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@@H]2C=CC=C[C@H]2O1 252585024 FPKARSCPTNRBHY-KURKYZTESA-N 437.323 2.993 0 40 IFAB Cc1cc(C)n(CCC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)c(=O)n1 257204997 AXEVBLYMMYEGAF-HSZRJFAPSA-N 432.524 2.836 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 257261853 LJAAFOSLRIJNFF-RPWUZVMVSA-N 437.584 2.972 0 40 IFAB Cc1nc(Nc2ncc(C)s2)cc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 257268444 MLRXQURVKHCKRZ-UHFFFAOYSA-N 433.563 2.595 0 40 IFAB O=C(C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2cc[nH]n2)C1)N1CCOCC1 257338837 YZCZPHCVWSSCBG-QFIPXVFZSA-N 446.935 2.613 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cccc(Cl)c1 408562034 XDBIYPDEYJEBID-UHFFFAOYSA-N 437.949 2.927 0 40 IFAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)s1 408687876 PMZLIEJAINJPJR-UHFFFAOYSA-N 427.280 2.510 0 40 IFAB CCCCOC(=O)CN1C(=O)S/C(=C\c2cccc(OCC)c2OCC(=O)O)C1=O 409209139 GAKDAFXEOPARDN-GDNBJRDFSA-N 437.470 2.928 0 40 IFAB CC(C)c1ccc(O[C@H]2CN(Cc3ccc(OCCN4CCNC4=O)cc3)C[C@@H]2O)cc1 585268833 OEAFOXRFTUGXBW-ZEQRLZLVSA-N 439.556 2.838 0 40 IFAB O=C(COc1ccc2ccccc2c1Br)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1637479747 HUAXZFVUYYCKBG-LSDHHAIUSA-N 438.343 2.874 0 40 IFAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@@H](CSC)C(=O)O)ccc23)cc1 2116812 IWYHHRDSNSGTDZ-SFHVURJKSA-N 443.477 2.780 0 40 IFAB biogenic O=S(=O)(c1ccc2oc(SCc3cn4ccsc4n3)nc2c1)N1CCOCC1 3287142 HVSGZWSLVHMCCM-UHFFFAOYSA-N 436.540 2.850 0 40 IFAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 5493811 MVXNAJNGLVQNKU-ZDWFVDTJSA-N 446.569 2.957 0 40 IFAB biogenic,in-vitro CCNC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 8687329 IXKPYECWMPSXOQ-NFBKMPQASA-N 440.496 2.867 0 40 IFAB COc1ccc([C@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)cc1 8691605 JVYQRNQDQHCNHS-PCCBWWKXSA-N 448.475 2.963 0 40 IFAB CCCn1c(=O)n(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c2ccccc21 8923031 CAKJAPUESLXZGO-QGZVFWFLSA-N 429.542 2.874 0 40 IFAB Cc1nn(CC(=O)N2c3ccccc3C[C@H]2C)c(C)c1S(=O)(=O)N(C)Cc1ccco1 9376872 WCIMXDGAYNOVMW-OAHLLOKOSA-N 442.541 2.891 0 40 IFAB Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[nH]2)c1 9518048 JSNBKNKFMLIGIG-UHFFFAOYSA-N 427.461 2.783 0 40 IFAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 9671363 LKONLVIHLJTDFX-UHFFFAOYSA-N 430.526 2.621 0 40 IFAB COc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)cc1OC 9761473 WQWMIBUHCSHXEN-UHFFFAOYSA-N 427.482 2.989 0 40 IFAB Cc1cccc(NC(SCC(=O)N2CCCC[C@@H]2C)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 10004253 OWWUFKILBVQNFI-HNNXBMFYSA-N 444.557 2.803 0 40 IFAB CC(C)C[C@@H](C(=O)OCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 10860503 MKQIIOWQCJODEN-IBGZPJMESA-N 434.448 2.537 0 40 IFAB COc1ccc(-c2cc3ncnc(N4CCN([C@@H]5CCS(=O)(=O)C5)CC4)c3s2)cc1 12685403 RDMUGHYLNVNCFW-MRXNPFEDSA-N 444.582 2.676 0 40 IFAB CCOc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 12797049 RTMKOZQWEQUZJI-UHFFFAOYSA-N 434.562 2.958 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c(C)c1 12926163 OZAJYZRXOANJJX-UHFFFAOYSA-N 444.553 2.920 0 40 IFAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12985458 NYNQRBUIACQXMT-UHFFFAOYSA-N 430.917 2.672 0 40 IFAB CCOCCCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O 13148852 VSHQVZDOXREBJG-UHFFFAOYSA-N 446.554 2.714 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1 13592630 RVEAHRCJKPZRRW-UHFFFAOYSA-N 447.826 2.838 0 40 IFAB NS(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2)ccc1Cl 15501902 VIYILWKJMAFPOT-UHFFFAOYSA-N 436.658 2.844 0 40 IFAB CCN1CCN(c2ccc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc2C)CC1 16300172 VOOVGYVJHZHJLM-UHFFFAOYSA-N 427.574 2.901 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 16321531 QTOJPXNKQQVFCB-UHFFFAOYSA-N 440.319 2.667 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)cc1 19022287 RDUUFZGYJZYYGT-UHFFFAOYSA-N 449.511 2.620 0 40 IFAB O=C([C@@H]1CCCNC1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19336017 QPGZDQQNDMNRHN-MRXNPFEDSA-N 425.508 2.893 0 40 IFAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)CC[C@@H]5CCCO5)CC4)nn3c(O)c2C1 19448143 LWKYKXFWPCUQID-SFHVURJKSA-N 441.576 2.867 0 40 IFAB COc1cc(CCC(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)on1 19448335 OPQKEYXPTUAKEU-SFHVURJKSA-N 429.521 2.632 0 40 IFAB CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccncc1C)CC2 19500180 WKZIXGROYAZTEU-HXUWFJFHSA-N 437.544 2.772 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)CCc1c[nH]c3ccccc13)C2 19701418 LKCAAFFEDVLGLL-OAQYLSRUSA-N 442.523 2.671 0 40 IFAB COCCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)C3)C1 19744250 WMEGZINTNNPCMH-SFHVURJKSA-N 438.528 2.625 0 40 IFAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 20045559 NXHAKTAWLDUTBI-UHFFFAOYSA-N 438.933 2.642 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1Cl 20450820 LRRCXAGEUMDVQX-UHFFFAOYSA-N 448.932 2.617 0 40 IFAB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20454953 OIPYOZJWBYWPBI-UHFFFAOYSA-N 446.510 2.506 0 40 IFAB COc1ccc(CCN2C(=O)C[C@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1OC 20759959 KVMMSSAYJSFTIT-NRFANRHFSA-N 433.508 2.913 0 40 IFAB biogenic CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)n1 21488194 VWNMYXKMHMCREW-INIZCTEOSA-N 425.457 2.920 0 40 IFAB CC(C)n1nnn(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=S 22912056 RVZJLBLFNLAKOO-UHFFFAOYSA-N 443.499 2.623 0 40 IFAB Cc1c(Cl)cccc1-n1ccnc1SCCCn1c(=O)c2c(ncn2C)n(C)c1=O 22988289 MTJBUDMLAKGQLU-UHFFFAOYSA-N 444.948 2.764 0 40 IFAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 23651863 YWRMTYPIFUTOSL-UHFFFAOYSA-N 440.525 2.573 0 40 IFAB Cc1cc2oc(=O)cc(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c2cc1C 25404620 QOEGHHPWTIFKRG-QHCPKHFHSA-N 434.492 2.894 0 40 IFAB O=C(CN1CCN(c2cnccn2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 27635021 KUIQNMIZYHXLGX-OAQYLSRUSA-N 425.583 2.896 0 40 IFAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCn1cnc2ccccc2c1=O 32492253 MDVVIELMJKFPGY-UHFFFAOYSA-N 448.401 2.782 0 40 IFAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1CCCc2ccccc21 32571520 YIVUKXMIHORRGD-CLOONOSVSA-N 449.507 2.761 0 40 IFAB COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 35362352 ZXSJLFZWZNQDKR-UHFFFAOYSA-N 432.970 2.825 0 40 IFAB COc1ccc(-c2cc3c(nc(C)n3[C@@H]3CCS(=O)(=O)C3)c(C(=O)NC3CC3)n2)cc1 35683009 WQJVBQWBLVUTHO-MRXNPFEDSA-N 440.525 2.667 0 40 IFAB COCc1nn2c(ncc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccccc1 40396513 MBCDYJJRHXXVDG-UHFFFAOYSA-N 426.436 2.637 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 60907487 MOJABHZNHPHSDD-UHFFFAOYSA-N 429.542 2.733 0 40 IFAB COc1ccc(S(=O)(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1Br 65488099 QSYINESIGTZLJY-MRXNPFEDSA-N 439.331 2.710 0 40 IFAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccnc(Nc3ncccc3C(F)(F)F)n2)C1 72377828 VTQQMQIRZBHYLB-GFCCVEGCSA-N 430.456 2.620 0 40 IFAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(F)(F)F)c1C 95995690 GROWNXFSGZBEIZ-UHFFFAOYSA-N 437.417 2.876 0 40 IFAB CCOc1ccc(/C=C2/N=C(c3cccc(S(=O)(=O)N(C)C)c3)OC2=O)cc1OC 96814871 AZRAYCFNNBTIJD-GZTJUZNOSA-N 430.482 2.689 0 40 IFAB COCCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(OC)c(OC)cc21 101035751 IJIGYCOVCDTFED-UGNPLGLKSA-N 430.482 2.634 0 40 IFAB COC(=O)c1c(COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)nc2ccccc2c1C 104001083 JWUHDINBJVAKMJ-IAGOWNOFSA-N 436.464 2.714 0 40 IFAB O=C(CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1)N1CCOCC1 107986496 FBWFFHKMBBVHRB-GJZGRUSLSA-N 445.566 2.927 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 139081927 FGDIYEXHCWPHMV-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C 218204934 ILUHTTGVUNWCNK-JKIFEVAISA-N 433.368 2.572 0 40 IFAB O=C(NCc1nc(-c2cccs2)no1)C1CCN(S(=O)(=O)c2cccs2)CC1 219257846 YNNQJGJVKCMKJR-UHFFFAOYSA-N 438.556 2.577 0 40 IFAB COc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1OC 223086857 ARKWLYCRVBTUAK-UHFFFAOYSA-N 430.526 2.620 0 40 IFAB CCc1ccc(CC)c(CNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 223324807 VTFDJDQBPFCMPE-UHFFFAOYSA-N 434.558 2.911 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225758593 GYOHFKWCHMRRQX-UHFFFAOYSA-N 427.507 2.942 0 40 IFAB Cc1cc2c(cc1CN1C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C1)n(C)c(=O)n2C 257250356 JMFDYFMRGWUGHG-UQBPGWFLSA-N 436.531 2.963 0 40 IFAB CC(=O)NCCCCCC(=O)N1CCC([C@]2(C)CN(c3ccccc3)C(=O)CO2)CC1 257262121 LKDBNTJRMPTRFI-DEOSSOPVSA-N 429.561 2.744 0 40 IFAB O=C1CCCN1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 257289721 PZXBDVIWMKMHMF-UNMCSNQZSA-N 441.572 2.698 0 40 IFAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1C 408701687 CQVDRWBDAHORIA-UHFFFAOYSA-N 432.498 2.827 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408705305 BUGGQMSTNOMIRU-UHFFFAOYSA-N 447.557 2.625 0 40 IFAB CCOc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2Cl)S(C)(=O)=O)cc1 409270948 SDROQFYPFIVOAW-UHFFFAOYSA-N 440.905 2.930 0 40 IFAB Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 503329437 ARDRNTKNUPULOD-CYBMUJFWSA-N 443.447 2.550 0 40 IFAB CCn1cnc2cc(NC(=O)[C@@]3(C)CCCN(C(=O)CCc4cc(O)no4)C3)ccc21 1848353534 KXEUYFAIYYCCDC-QFIPXVFZSA-N 425.489 2.950 0 40 IFAB O=C(c1ccc(N2CCOCC2)cc1)N1C[C@H]2CCC[C@@]2(COc2ncc(F)cn2)C1 1888904045 BWLWTXUNIAIOMD-JPYJTQIMSA-N 426.492 2.774 0 40 IFAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccncc2)cc1 1418786 QFXRNZXBIZIIJA-QHCPKHFHSA-N 433.464 2.927 0 40 IFAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc(OC)c1OC 2198526 PNVIMXXNKKGLES-FQEVSTJZSA-N 438.480 2.926 0 40 IFAB O=C(COC(=O)CCCc1nc2ccccc2s1)NC(=O)[C@@H]1COc2ccccc2O1 3365970 ZSGNAMAFPZBFRO-KRWDZBQOSA-N 440.477 2.645 0 40 IFAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCOc1cccc(C)c1)c1ccccc12 8843685 HKPWLTTWWYTOIB-JOCHJYFZSA-N 438.509 2.576 0 40 IFAB CCOc1ccccc1C(=O)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 8915743 QSRZEKUXGYTTPI-KRWDZBQOSA-N 433.526 2.932 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 8936953 ZLMNOZSBTRANAG-JLTOFOAXSA-N 448.466 2.976 0 40 IFAB Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1 9198862 FQNDKDGHYPPWOP-HXUWFJFHSA-N 442.516 2.863 0 40 IFAB COc1cccc(-n2ccnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 9464690 ZHHHZPQTKIEKMW-UHFFFAOYSA-N 426.498 2.551 0 40 IFAB O=C(Nc1ccccc1)C1CCN(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 9817130 NXZJPLNTRZWXBN-UHFFFAOYSA-N 443.569 2.558 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccccc2F)n1C 10076601 LBQFFOAEJNQXGL-UHFFFAOYSA-N 429.477 2.875 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2OC)n2nnnc2N1 10231926 JGWTYWWSUBOKHM-KRWDZBQOSA-N 425.832 2.660 0 40 IFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O 10758001 SCYBWPOVJFHQOD-BMLIUANNSA-N 443.319 2.737 0 40 IFAB COc1ccc(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)cc1OC 11695866 KWLRDVXHJNYEMX-UHFFFAOYSA-N 427.501 2.660 0 40 IFAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029724 ICPANZQJNLVBOC-CQSZACIVSA-N 431.894 2.692 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)C(F)(F)F)CC2)on1 12133152 NLXWCMATBMMJDL-UHFFFAOYSA-N 425.411 2.545 0 40 IFAB O=S(=O)(c1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1)N1CCOCC1 12274131 PJHJFAWXVHLXMK-UHFFFAOYSA-N 427.511 2.541 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cncc(Br)c2)CC1 12819066 ODNMYYVYNDPVAL-UHFFFAOYSA-N 431.334 2.803 0 40 IFAB CCc1cccc(N2C[C@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2=O)c1 13003643 YAUOMWOKCZSNRK-QGZVFWFLSA-N 429.542 2.799 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 13059375 ZHWNLLZUDUQLGW-ARKBFRDHSA-N 442.537 2.622 0 40 IFAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1OCC 13063634 UMTLIJFKBOJWOZ-UHFFFAOYSA-N 440.496 2.884 0 40 IFAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 13793612 AHWLSUFRFUYNMD-DZGCQCFKSA-N 441.550 2.762 0 40 IFAB COc1cc(C)ccc1S(=O)(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O 13799608 NBIFXKSFMIIEMH-UHFFFAOYSA-N 431.489 2.735 0 40 IFAB CC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1cc(C)on1 14241694 RJUJPYYGGXFRQW-GOSISDBHSA-N 449.529 2.653 0 40 IFAB Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n1 16843452 CSCYRVYYAYSXPK-UHFFFAOYSA-N 448.545 2.900 0 40 IFAB CC(C)C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1C(=O)c2ccccc2C1=O 18049648 UVCWNYHOJLLLAX-INIZCTEOSA-N 447.413 2.870 0 40 IFAB CC1(C)C[C@H](CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)C(=O)O1 19460911 QXZYVBHPTYPYJK-ZOBORPQBSA-N 429.443 2.536 0 40 IFAB COc1cc(CN(C)Cc2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)ccc1OC(C)C 19700993 SLAVUGMFXLDEIU-GOSISDBHSA-N 441.576 2.916 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)CN3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738886 QWWWFWYYZROPRB-FQEVSTJZSA-N 433.556 2.676 0 40 IFAB Cc1cc(NC(=O)Cn2cc(C(=O)NCC(C)(C)c3ccc(F)cc3)ccc2=O)no1 19749234 CNQZYEHECVVNHL-UHFFFAOYSA-N 426.448 2.630 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)ncc1C(=O)NCc1ccccc1 19765857 VHDIWUSJUVFHGO-NRFANRHFSA-N 435.572 2.763 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)CC2)c1C 20245902 JFAGREIWDUPUPZ-UHFFFAOYSA-N 430.574 2.508 0 40 IFAB CN(CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](NCc2ccc(-c3ccccc3)cc2)[C@H]2CO[C@@H]1O2 20463985 PZUVAWXREFBIIX-KUDLYRENSA-N 445.563 2.866 0 40 IFAB biogenic,in-vitro COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(Cl)cc1 23038097 ZICVKOCZJFFBBI-PCMMCCAGSA-N 435.908 2.561 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)cc1 23081024 TZBDDAODLSELCA-UHFFFAOYSA-N 429.498 2.887 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)C1=O 23674642 JKAKOPYKULQSOI-LBPRGKRZSA-N 439.896 2.638 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 24609374 DZSWLJBNRHYABT-UHFFFAOYSA-N 441.597 2.886 0 40 IFAB O=C(/C=C/c1ccc(Br)c(Cl)c1)N1CCN(CC(=O)N2CCCC2)CC1 25197271 HLLIKUSZMKWYDD-GQCTYLIASA-N 440.769 2.882 0 40 IFAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2cnn(C(C)C)c2n1 25954468 VAGXQMPUIVMGDG-UHFFFAOYSA-N 445.520 2.606 0 40 IFAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1 29992255 DWTZAPXJIORQTD-LJQANCHMSA-N 441.919 2.602 0 40 IFAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCN(c2cnccn2)C1 30110468 CCETZCBOMVQSJE-LBPRGKRZSA-N 428.846 2.989 0 40 IFAB CCOc1ccccc1C(=O)NCC(=O)NCC[C@](O)(c1ccc(C)o1)C(F)(F)F 31570553 XVNLGPVNCHEGTM-IBGZPJMESA-N 428.407 2.673 0 40 IFAB Cn1c(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc2cc3c(cc2c1=O)OCO3 33279694 FFGNESXFSPIRIM-UHFFFAOYSA-N 438.421 2.733 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc4c(cc3Br)OCO4)C2=O)o1 33524833 FJLFUYHYNNYFAO-QCDXTXTGSA-N 449.213 2.650 0 40 IFAB COc1nn(C)cc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(OC)ccc(OC)c2s1 38840392 BZVRYTPJKPSNQN-LBPRGKRZSA-N 432.502 2.881 0 40 IFAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(O)c(OC)c2)c1 39427845 ALIULKBBWNJIKI-HXUWFJFHSA-N 437.456 2.937 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 44857307 VMBYOSXBBMCMBT-UHFFFAOYSA-N 445.585 2.682 0 40 IFAB C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 58148278 AWNMUQQXYNGWOW-UZLBHIALSA-N 431.920 2.679 0 40 IFAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C1 69460025 UCCHDIOECLZSDC-ZDUSSCGKSA-N 445.467 2.684 0 40 IFAB COCCCN1CCCN([C@@H](C)C(=O)Nc2cccc(I)c2)CC1 72308503 SQHUZJQTFZSKCA-HNNXBMFYSA-N 445.345 2.662 0 40 IFAB CCOC(=O)N1CCN(c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)CC1 72328428 PVODFNJMAVGCLH-UHFFFAOYSA-N 432.521 2.841 0 40 IFAB Cc1ccc(OCCNC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 96931155 NLTKQSPCDLEJFL-QGOAFFKASA-N 426.498 2.805 0 40 IFAB O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1C1CCCCC1)[C@H]1[C@H]2C(=O)N(C4CCCCC4)C(=O)[C@@H]2[C@H]31 101171439 KSOCXRSCFJVURG-POGUXHMRSA-N 436.552 2.916 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccccc1CN1CCc2ccccc21 102783144 YMDLGCXXGKIUIB-BYIOMEFUSA-N 427.504 2.995 0 40 IFAB O=C(O)C1=C(C(=O)Nc2ccc(NC(=O)C3=C(C(=O)O)[C@H]4C=C[C@H]3C4)cc2)[C@H]2C=C[C@H]1C2 102921081 WBDDDMQUUKAGOQ-XUXIUFHCSA-N 432.432 2.738 0 40 IFAB COc1ccc(CN(C)C(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1 219187705 XDAROEOQCGOENU-UHFFFAOYSA-N 446.525 2.882 0 40 IFAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 223670561 ZKYHFPMPMFREMJ-UHFFFAOYSA-N 447.340 2.963 0 40 IFAB COc1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 223871459 BNYIZHUHFRQIQM-UHFFFAOYSA-N 448.541 2.769 0 40 IFAB CC1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 225548149 WZHJEHMHJHRBKC-SFHVURJKSA-N 442.025 2.979 0 40 IFAB CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc21 225724108 OCTXWIGJRGUVFU-UHFFFAOYSA-N 431.583 2.980 0 40 IFAB CN([C@@H](C(=O)Nc1ccc(I)cc1)c1ccccc1)S(C)(=O)=O 225836334 XFXHERVSQBURBQ-OAHLLOKOSA-N 444.294 2.862 0 40 IFAB Cc1ccc(C(=O)NC[C@H]2CC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)CC2)c(=O)n1C 257314195 UVSOYWXZXFXSLO-BXWFABGCSA-N 442.585 2.954 0 40 IFAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)c1 408561835 VUTFSYGOEBGWRR-HNNXBMFYSA-N 434.514 2.752 0 40 IFAB Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 540668742 BOEFFCXTKKTINP-KRWDZBQOSA-N 440.880 2.883 0 40 IFAB COc1ccc(-c2ccc3c([C@H]4CN(C(=O)Cc5ccn(C)n5)CCO4)ncn3c2)cc1 585113174 WSPWEXGEKFTAMT-JOCHJYFZSA-N 431.496 2.886 0 40 IFAB CN1CCCCN(C(=O)CCn2ccccc2=O)CCOc2ccc(Cl)cc2C1=O 643555889 ARCRFTKLFSAFOV-UHFFFAOYSA-N 431.920 2.665 0 40 IFAB O=C1NCCOCCCCC2(CCN(C(=O)c3ncccn3)CC2)COc2ccccc21 643571294 DFNRRWPNQOAVRS-UHFFFAOYSA-N 438.528 2.708 0 40 IFAB C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)Nc1cc2oc(O)nc2cc1F 1632546621 CUOVGUKUZHTXRR-TUTWKPOWSA-N 441.337 2.597 0 40 IFAB CCOC(=O)c1ccc([C@@H]2C[C@H](Nc3cnn(C)c(=O)c3Br)CN(C)C2)cc1 1772715245 HHIFZDKECAVDEI-CVEARBPZSA-N 449.349 2.619 0 40 IFAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCC(N)=O)cc1)N(C[C@@H]1CCCO1)C3=O 2440034 CZFMXNQNNJKXRZ-JTSKRJEESA-N 448.475 2.690 0 40 IFAB O=C(c1cc2ccccc2oc1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2617068 UVUKFYWXUYEUQN-UHFFFAOYSA-N 432.885 2.593 0 40 IFAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 3481325 ULSFQXUENGTGHQ-SFHVURJKSA-N 436.917 2.983 0 40 IFAB O=C(/C=C/c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557207 NANPREVYBWIOIB-QPJJXVBHSA-N 448.928 2.658 0 40 IFAB CC1(C)C(=O)NCCN1C(=O)CSc1nccc(-c2ccc(Br)cc2)n1 4375074 VCZAFQCBKHGVFB-UHFFFAOYSA-N 435.347 2.735 0 40 IFAB CC1(C)O[C@@H]2O[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 6232676 DYPWYALADNLMHN-SGPHBRAGSA-N 433.379 2.920 0 40 IFAB CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)C(=O)C[C@]1(C)O 6553010 NTNFVQUAJMSDFP-GGXPGOJBSA-N 427.291 2.615 0 40 IFAB Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cs1 9128225 OJTDHHOWFVCMCH-UHFFFAOYSA-N 433.477 2.546 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12C(=O)Nc1ccc(OC)cc12 9186984 BTVXWSHGFNTNSU-XMMPIXPASA-N 446.463 2.553 0 40 IFAB CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 9191208 VLDFZQYOMOBFDU-KRWDZBQOSA-N 429.542 2.983 0 40 IFAB COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c1 9242746 KTIHCHPZEGYXPB-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1-n1cncn1 9414586 IETDMNZIWQIGFX-UHFFFAOYSA-N 444.967 2.974 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C 9462526 YSBQUSHBAVZNMV-HZPDHXFCSA-N 426.469 2.894 0 40 IFAB COCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 10119449 RMJOXGQPLXWLKA-UHFFFAOYSA-N 439.331 2.577 0 40 IFAB Cc1cccc(Cl)c1CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 12085577 YLRNPKBMRJOMMV-HSZRJFAPSA-N 440.931 2.829 0 40 IFAB COc1ccc(/C=C(\C(=O)N(CCO)Cc2ccccc2)n2ccccc2=O)cc1OC 12468632 DQJXEADCWDXDGE-LTGZKZEYSA-N 434.492 2.885 0 40 IFAB Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12541735 GRMILAIMZBUTNG-UHFFFAOYSA-N 436.493 2.895 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(C(=O)OC)c2)ccc1C 12767501 CJHVJDCFQXJFCG-UHFFFAOYSA-N 433.530 2.863 0 40 IFAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc(C(=O)OC)c1 12785902 GUKOHCYNCLMGRC-MRXNPFEDSA-N 444.871 2.900 0 40 IFAB COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1 12900852 IEIYPZHLBOHKDC-UHFFFAOYSA-N 431.489 2.996 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccc2Cl)cc1C 13631974 GRMKFIKAALYHCJ-UHFFFAOYSA-N 435.933 2.672 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 13992286 IIFGNXFYLLLEAR-UHFFFAOYSA-N 431.876 2.500 0 40 IFAB CC1CCC(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 16051086 HRFKTTLOLOIFHJ-UHFFFAOYSA-N 434.514 2.610 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCO3)cc1Cl 16692697 IZJOLLFRGLKHPW-UHFFFAOYSA-N 426.878 2.727 0 40 IFAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cc(OC)c1OC 16756165 YHVHNSHHWDMDPN-UHFFFAOYSA-N 429.502 2.724 0 40 IFAB Cc1ccc(OCCN(C)C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)cc1 19211043 IAWBYMJUJXOBKI-HXUWFJFHSA-N 438.572 2.605 0 40 IFAB CC(C)S(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19451028 UIBCEHGWEQPBNL-MRXNPFEDSA-N 447.605 2.653 0 40 IFAB CN1C[C@H](c2ccc(CN(C)C(=O)CCOc3ccc(Cl)cc3)cc2)[C@@H](C(N)=O)C1 19698755 POYHDJIJUIPFRP-RTWAWAEBSA-N 429.948 2.898 0 40 IFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2N)c(OC)c1 20574998 WDANNIDWVXWGFZ-UHFFFAOYSA-N 444.879 2.730 0 40 IFAB COc1ccc(-c2n[nH]c(SCC(=O)N3CCN(C(=O)c4cccs4)CC3)n2)cc1 22082562 NIEMOJLJVRMXCI-UHFFFAOYSA-N 443.554 2.619 0 40 IFAB CCOC(=O)N1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697735 RKAXWKWXDLKCJU-OAQYLSRUSA-N 447.507 2.511 0 40 IFAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 22914053 LRYKIFYUYKHXAA-DHIUTWEWSA-N 441.597 2.788 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 24845943 QJALQJIEIUVYQG-OAHLLOKOSA-N 441.490 2.864 0 40 IFAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 27256304 OFKWEVOZOQMQTF-LJQANCHMSA-N 444.582 2.710 0 40 IFAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 30863542 XVTOXLRZUKPWDP-MRXNPFEDSA-N 448.541 2.716 0 40 IFAB CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32640018 NTKFEJVEHRPUEZ-OALUTQOASA-N 429.567 2.963 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 32803088 VGPNZOUOHADIAO-NRFANRHFSA-N 447.557 2.741 0 40 IFAB O=C1NC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)N=C1c1ccc(Cl)cc1 35445292 ZDQFJCNUNOHLIC-UHFFFAOYSA-N 439.871 2.718 0 40 IFAB COc1ccc2oc(C)c(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)c2c1 48279805 BFKSNCQKNWZELU-UHFFFAOYSA-N 444.509 2.701 0 40 IFAB COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)CC2)c1 49405910 NYEQWPDXWXMJBJ-UHFFFAOYSA-N 433.512 2.548 0 40 IFAB NC(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 49916882 NWANDGFJGLFONL-XLAORIBOSA-N 428.275 2.994 0 40 IFAB COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 72305322 XRHGCZWBMLBQQX-RDJZCZTQSA-N 431.489 2.507 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)c(C)n1 72371690 HBJPHZANSYRIAW-MRXNPFEDSA-N 447.536 2.873 0 40 IFAB COc1ccc(CCc2nc(NC(=O)[C@@H]3CCCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1 79483602 ZBSRXGUOUFDOCY-GOSISDBHSA-N 435.532 2.860 0 40 IFAB CCc1nc2cc(OC)c(OC)cc2c(=O)n1CCNC(=O)Cc1c[nH]c2ccccc12 85876624 XTVYCFQCAGPHST-UHFFFAOYSA-N 434.496 2.816 0 40 IFAB biogenic O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cnc2ccccn2c1=O 89878847 TZWPKBBNLCZYJV-UHFFFAOYSA-N 428.286 2.893 0 40 IFAB Cc1ncsc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 95444184 HCVOKSDAGPAVBR-JKSUJKDBSA-N 436.578 2.819 0 40 IFAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 96104194 XPLFHYUAPYMPHB-UHFFFAOYSA-N 431.345 2.519 0 40 IFAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)cc2)c1C 102328488 SNRYLPODDSFWEC-PYTWLRIVSA-N 433.486 2.778 0 40 IFAB COc1cc(-c2cc(C(=O)NC[C@@H]3CCCN3c3nccs3)[nH]n2)cc(OC)c1OC 206781528 YWSZOYBWMFKMFZ-AWEZNQCLSA-N 443.529 2.958 0 40 IFAB COc1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(OC)c1OC 222518244 MVJCUYGHJDBUSQ-UHFFFAOYSA-N 442.921 2.692 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 223675505 MTETWGUTHZCROC-UHFFFAOYSA-N 434.558 2.917 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCCC3)c2)cc1 224640389 GDGFLFIIUGCNHO-UHFFFAOYSA-N 447.626 2.941 0 40 IFAB Cn1c(CCNC(=O)c2nnn(Cc3ccccc3)c2-n2cccc2)nc2ccccc21 225584952 QGFSVEGTRKHIID-UHFFFAOYSA-N 425.496 2.976 0 40 IFAB O=C(CN1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1)N1CCCc2ccccc21 257337706 YUBPIBIOKFOWSF-NRFANRHFSA-N 430.512 2.968 0 40 IFAB CN([C@H](C(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1)S(C)(=O)=O 260894930 GNWMBEQZVPOVCF-QFIPXVFZSA-N 429.586 2.921 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408653749 FQXFQZATIOOACB-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408656069 IIWIJDDWYOSVTF-MASOJFRBSA-N 439.295 2.895 0 40 IFAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2Br)C1=O 409239833 FNCVOJAJZRHYAK-XNTDXEJSSA-N 430.258 2.989 0 40 IFAB C[C@H](NC(=O)CN1CCC2(CCCCc3ccccc3OCCNC2=O)CC1)C1CC1 643558971 XUQMNHZADVEUFA-IBGZPJMESA-N 427.589 2.905 0 40 IFAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)N3CCN(C)CC3)c2C1 643575907 QQYCFCSTZMGELX-UHFFFAOYSA-N 444.620 2.601 0 40 IFAB O=C1OC2(CN(Cc3ccc(-n4ccnc4)cc3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549161695 JWUYWBLVODRVQT-HSZRJFAPSA-N 429.524 2.763 0 40 IFAB COc1ccc(C(=O)N2CCC(n3nc(-n4nc(C)cc4C)ccc3=O)CC2)cc1F 1775969409 PRUPERMBTLTKJN-UHFFFAOYSA-N 425.464 2.671 0 40 IFAB COc1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 1325612 WDGHKLKISXYWNB-UHFFFAOYSA-N 438.571 2.785 0 40 IFAB CCCn1c(O)c(C(=O)NNC(=O)c2ccccc2Br)c(=O)c2ccccc21 2257081 IKKDZJSNCYUQQW-UHFFFAOYSA-N 444.285 2.954 0 40 IFAB CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 2653024 PFJAFBVYRXGCAV-UHFFFAOYSA-N 428.466 2.578 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 2653439 RGJZQAXHVBDKLH-UHFFFAOYSA-N 444.465 2.562 0 40 IFAB COc1ccccc1-c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(C)cc4)CO[C@H]23)n1 5433958 OITMIGHKAZXQHX-JFJDKTSWSA-N 446.507 2.837 0 40 IFAB biogenic,in-vitro Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2F)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 8754052 VXZYJKMPPWHPJY-LBPRGKRZSA-N 445.520 2.713 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N1CCS[C@@H]1c1ccccc1F 9413876 MLNWPNFLGJPVSV-DENIHFKCSA-N 441.484 2.630 0 40 IFAB CCCn1c(=O)n(CC(=O)NCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 9435911 ZJRBTKDVOQUGND-UHFFFAOYSA-N 441.553 2.802 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)NC3CCCC3)CC2=O)cc1 9486908 AZTZGWDNRPQMNQ-CVDCTZTESA-N 449.551 2.834 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(=O)c2ccccc2o1 9562366 IIXMQKMMNLDVDV-UHFFFAOYSA-N 448.884 2.720 0 40 IFAB CCCn1c(CSc2ncccn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9672236 YFSYNOSRJLGEDI-UHFFFAOYSA-N 433.559 2.550 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NCc2ccncc2)c1 12663946 DIEIZJPMGOLMGZ-QGZVFWFLSA-N 432.509 2.639 0 40 IFAB CCn1c(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)nnc1N1CCOCC1 12778701 LNESAVJDANZJPV-UHFFFAOYSA-N 444.542 2.985 0 40 IFAB CC(C)n1ncc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)cnc21 12782907 KYEZROYVSSWBMJ-UHFFFAOYSA-N 427.939 2.986 0 40 IFAB O=C(O)C1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4Cc5ccccc5CN4C3=O)c2)CC1 13576557 JVDOOVJRXPWUCO-FQEVSTJZSA-N 433.464 2.517 0 40 IFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2 18838744 TZLPFGISVSOZMK-CQSZACIVSA-N 436.555 2.797 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCCCC3)CC1)O2 19218968 MYICHAMZCPIBNO-XDHUDOTRSA-N 427.545 2.706 0 40 IFAB CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)nc2ccccc12 19761442 MZRYBBKARBPFBW-MRXNPFEDSA-N 428.496 2.697 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2cccnc21)Nc1ccccc1C(F)(F)F 20356851 RIDULUCPMWMPLQ-UHFFFAOYSA-N 444.369 2.857 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20482644 MNTARVZOPGITRN-UHFFFAOYSA-N 441.553 2.994 0 40 IFAB CN(C)C(=O)[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c2ccccc2O1 21477964 XOEILCARKKSLEE-OAQYLSRUSA-N 434.471 2.996 0 40 IFAB Cc1ccc(N2C(=O)NC(=O)/C(=C(\NCCc3cnc[nH]3)c3ccc(F)cc3)C2=O)cc1 25183282 JFTWOVMBIIEHCJ-FMQUCBEESA-N 433.443 2.684 0 40 IFAB C[C@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C[C@@H](C)O1 32899237 UOWMCJOYSXIYAX-CALCHBBNSA-N 449.548 2.856 0 40 IFAB C[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1cc2ccccc2o1 36450884 ILTPGDMTGGGGPU-SBUREZEXSA-N 449.507 2.594 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2nnc(C(C)C)n2c2ccccc21 57522518 MASOWNARTURGTL-UHFFFAOYSA-N 433.468 2.983 0 40 IFAB COc1cccc(C[C@H](C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 58014119 ADYOACDIOTUKFS-SIKLNZKXSA-N 448.527 2.651 0 40 IFAB C[C@H]1Cc2ccccc2N1CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 72045467 BMHPFMDTJIJYEX-AWEZNQCLSA-N 444.329 2.742 0 40 IFAB COc1ccc(-c2cccc(C[C@@H]3C(=O)NCCN3C(=O)CN3CCCCCC3=O)c2)cc1 72351431 STGGCHHIAXWMTC-HSZRJFAPSA-N 449.551 2.634 0 40 IFAB C[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394874 WXUNKRPLHVKSKK-PVSGBFIBSA-N 435.568 2.721 0 40 IFAB Cn1nc(-c2cccs2)cc1C(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77198008 NGKVFTJQPJTXAH-UHFFFAOYSA-N 434.525 2.803 0 40 IFAB O=C(CSc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 78902779 GOYJXVNEAKDMFA-UHFFFAOYSA-N 431.539 2.594 0 40 IFAB Cc1nc(CSc2ccccc2C(=O)NC[C@@H](Cc2cnn(C)c2)C(N)=O)cs1 89712529 RLWGYVJUCQTJTE-OAHLLOKOSA-N 429.571 2.551 0 40 IFAB COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 89954543 SILDRNKRNVYBDM-DHIUTWEWSA-N 444.553 2.665 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@H](C)O)cc1 95951865 YIVYELVXCKKTMQ-LAUBAEHRSA-N 432.586 2.979 0 40 IFAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1Cc1ccco1 102285577 FDVDXLOBFVGXNU-ROUUACIJSA-N 426.469 2.647 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219967960 OFXBPMJRZRHQMX-UHFFFAOYSA-N 426.498 2.592 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223028270 SUTDRGXWNSSWMZ-OAQYLSRUSA-N 445.585 2.623 0 40 IFAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 225564583 OATHEJOHDMQQMO-GOSISDBHSA-N 432.542 2.522 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)nc2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257292407 QLHMBPJBFROZGL-MRXNPFEDSA-N 425.924 2.861 0 40 IFAB Cn1nc(-c2cccs2)cc1C(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 390831593 SSDUTQLDFACZHT-UHFFFAOYSA-N 426.527 2.792 0 40 IFAB COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408586104 AFUNRMWPPFXBRH-UHFFFAOYSA-N 432.542 2.873 0 40 IFAB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 408652195 FSOLSFPJQUGTKZ-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB CC1CCN([C@@H](CNC(=O)Cc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1 518748716 VOTMOSRZISDDRF-HNNXBMFYSA-N 427.617 2.589 0 40 IFAB CCN1CCN(Cc2ccc([C@@H]3C[C@@H]4[C@H](NCN[C@@H]4N[C@H](C)c4ccccc4)N3)cc2)CC1 604940867 FZKTWZZPPTUYSG-KPZQWKJOSA-N 448.659 2.628 0 40 IFAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NCCN(C)C)c2C1 643570790 LMQSXAACEFKDHD-UHFFFAOYSA-N 432.609 2.505 0 40 IFAB O=C(c1ccc(Br)cc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1775967990 IDTBYVCLFRYLOS-UHFFFAOYSA-N 442.317 2.744 0 40 IFAB Cc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)n1 1889147614 VOUOHIOLHKKPHA-UHFFFAOYSA-N 437.466 2.842 0 40 IFAB COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)c(OC)c1 3219126 ZVDDPZWFWYVTEP-UHFFFAOYSA-N 448.526 2.725 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCOCC1 3482691 QGJQCDAVBRZOFT-RMKNXTFCSA-N 430.526 2.985 0 40 IFAB CN1CCN(c2nc3c(S(=O)(=O)c4ccc(Cl)cc4)nnn3c3ccsc23)CC1 8589352 GXUNHQCVYRPRRJ-UHFFFAOYSA-N 448.961 2.577 0 40 IFAB C[C@@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 9032354 IDVNBKUBLSCQIR-SNVBAGLBSA-N 436.251 2.979 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N(C)C[C@@H](O)c3ccc(O)cc3)C2=O)cc1 9353127 FAKJLLJZRCFXEZ-NPBUNYCVSA-N 442.493 2.629 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(S(N)(=O)=O)cc1 9460291 YTHKGKVPRYVBRQ-YOEHRIQHSA-N 449.960 2.717 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O 9466251 GVZZGDCZQMJZKV-UHFFFAOYSA-N 438.484 2.649 0 40 IFAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N(C)c2ccccc2)c2ccccc21 9519612 JUDQMJOXWSAYSK-UHFFFAOYSA-N 441.553 2.946 0 40 IFAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F 9570218 XIPHUZZVGWAPIF-UHFFFAOYSA-N 441.475 2.587 0 40 IFAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCOCC2)cc1 9593877 DARISZRBMUOEPA-MOPGFXCFSA-N 437.525 2.572 0 40 IFAB CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 9637908 UVZXHNJLGGEJKM-SFHVURJKSA-N 443.569 2.661 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCCC2)cc1 10430004 LDMVNLQHAIVRCY-UHFFFAOYSA-N 445.541 2.569 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC 11666402 ZPKCKHWCVZUGNI-UHFFFAOYSA-N 439.859 2.867 0 40 IFAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c32)cc1C 12228789 PYCMKJOLZGQFNR-UHFFFAOYSA-N 431.452 2.875 0 40 IFAB CCNC(=O)COC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 12630569 IXKPYECWMPSXOQ-REWPJTCUSA-N 440.496 2.867 0 40 IFAB CC(=O)N[C@@H]1[C@@H](Oc2cccc3ccccc23)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 12776346 QPPZFMUEXZZDBD-GVOYAPIASA-N 435.476 2.923 0 40 IFAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 12813965 PQWUIDKLZUGVHG-UHFFFAOYSA-N 426.897 2.852 0 40 IFAB CN(CC(=O)N[C@H](CC(=O)O)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 12987744 AFXYZSKDJRZFRM-HXUWFJFHSA-N 426.494 2.793 0 40 IFAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 14241408 RBYQXOFEOGCXKL-QGZVFWFLSA-N 429.933 2.721 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 16521355 UEBBYKDSXRUHCD-UHFFFAOYSA-N 438.933 2.722 0 40 IFAB COC[C@H](C)N1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 19456570 ZUWITDRFGQCDNE-RIFZZMRRSA-N 437.544 2.552 0 40 IFAB Cc1cc(C)n(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccc(F)cc2)n1 19573424 MWPGNMTZHKEQNP-NRFANRHFSA-N 446.486 2.885 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1S(=O)(=O)NC(C)(C)C 27018781 MCINMRLHQNBLQF-LBPRGKRZSA-N 447.513 2.744 0 40 IFAB CCN(CC)C(=O)COc1ccc(N2C(=O)[C@@H](CCSC)NC2=S)cc1Cl 27223488 DOJBDFIDTOPGDC-CQSZACIVSA-N 429.995 2.930 0 40 IFAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccccc1C(=O)NCC(F)(F)F 27406244 LFWMRGTWRFVFFV-DZKIICNBSA-N 444.479 2.643 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OC(C)=O)c(OC)c3)C2=O)o1 34835359 GWCZJVXHDCPICS-AUWJEWJLSA-N 448.815 2.746 0 40 IFAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)CC2=O)c(OC)c1 36416315 QLKKGIJORADTNE-VVLHAWIVSA-N 432.517 2.778 0 40 IFAB O=C(NCCN1CCS(=O)(=O)CC1)c1sc(-c2ccco2)nc1-c1ccccc1 40088547 MXWHFCOTILQMLZ-UHFFFAOYSA-N 431.539 2.530 0 40 IFAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1nc(N2CCOCC2)ncc1Cl 48286132 UBCHLLIZJYCYNT-UHFFFAOYSA-N 436.850 2.984 0 40 IFAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)N[C@H]1CCc2ccccc21 57507163 YKYGVNPYGDSYLP-HNNXBMFYSA-N 427.555 2.819 0 40 IFAB COc1cccc(NC(=O)C[C@@H](CN2CCN(c3cccc(OC)c3)CC2)C(=O)O)c1 71283367 ZWKKQWQLIUUOHS-KRWDZBQOSA-N 427.501 2.555 0 40 IFAB Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)NCc1ccc2c(c1)OCO2 71327467 GETZWFPRNHOKQF-UHFFFAOYSA-N 427.848 2.537 0 40 IFAB O=C(COC(=O)COc1ccc(I)cc1)Nc1cccc(F)c1 72331019 DQSVMRZAWPDAPG-UHFFFAOYSA-N 429.185 2.991 0 40 IFAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@H](O)c3cccs3)cc21 77115802 SEDFECGFDBLVJE-SFHVURJKSA-N 429.542 2.862 0 40 IFAB CCS(=O)(=O)N(C)C1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 84811071 LNZHGWLBUNRYFG-UHFFFAOYSA-N 430.574 2.701 0 40 IFAB CC(=O)Nc1ccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95117123 ILDMZMZRRGPXBL-NRFANRHFSA-N 431.558 2.605 0 40 IFAB COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 96099636 ZVSOUZSXQLMJJQ-UHFFFAOYSA-N 431.482 2.600 0 40 IFAB O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)c1ccc(F)c(Cl)c1 96103373 ICACJQDBFPVBIL-UHFFFAOYSA-N 446.891 2.958 0 40 IFAB CC(C)(C)c1csc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)n1 96232623 OZWUQPHJMCQFTM-LBPRGKRZSA-N 430.486 2.619 0 40 IFAB COc1ccc(CN2[C@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c(OC)c1 100738253 HPVVXWPGASGUDG-OALUTQOASA-N 425.529 2.696 0 40 IFAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 222705427 YOZCMGAUYLFXDX-QGZVFWFLSA-N 444.553 2.877 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c(C)c1 223758525 WECHGNYMRZNKEK-OAHLLOKOSA-N 434.514 2.974 0 40 IFAB CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1NC(C)=O 224254048 MARBIZJOQFQVOE-UHFFFAOYSA-N 447.582 2.968 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSC3CCCC3)CC2)cc1 225503665 ZAKWCLHVKZCOHS-UHFFFAOYSA-N 426.604 2.888 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)N[C@H](C)c3ccco3)CC1)O2 253589335 AWCARCYGRPGVNU-HOZJOUCCSA-N 439.512 2.727 0 40 IFAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 257323112 WIUQHFKVSYALCQ-RUZDIDTESA-N 435.572 2.920 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3cccc(C)c3C)C2)cc1 260951684 YZOLUOAWFYGCGV-IBGZPJMESA-N 446.569 2.908 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)CC1 408557462 MXMYPCGBYNWCMB-UHFFFAOYSA-N 437.949 2.927 0 40 IFAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408598411 ZXHHGSPHYLWDNL-RBUKOAKNSA-N 446.569 2.612 0 40 IFAB COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)nc2C)c1 409412888 ZWCPKZBWWOKIBF-VMRPVKRXSA-N 436.556 2.933 0 40 IFAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2ccncc2Br)C1 1775972879 ZYMIFHYDAJATLM-KRWDZBQOSA-N 432.318 2.974 0 40 IFAB Cc1cc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)nc(N2CCOCC2)n1 1889147549 FMYNTUOPNLKYEF-UHFFFAOYSA-N 437.466 2.842 0 40 IFAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 1262899 RRDLMQOEKFJTQS-UHFFFAOYSA-N 438.347 2.783 0 40 IFAB COC(=O)c1cc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc(C(=O)OC)c1 3599126 VSYFVCUQVIEGTP-UHFFFAOYSA-N 439.453 2.515 0 40 IFAB CC(C)OC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1C(F)(F)F 8748190 JRTIAKFTPBQKSU-AWEZNQCLSA-N 425.359 2.797 0 40 IFAB biogenic,in-vitro O=C(NC[C@@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O 8767002 UDJZEDOQUIYFFJ-HRAATJIYSA-N 432.480 2.662 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(c1)NC(=O)CS2 9882821 WVBQBAXTIXTJJB-UHFFFAOYSA-N 427.482 2.603 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 9909165 DFFNQWBMLTVKLK-ODCWNRFASA-N 449.507 2.939 0 40 IFAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 10640328 UPSNVVZEOPJQCO-LLVKDONJSA-N 442.474 2.921 0 40 IFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccco3)C(=O)C3CCCCC3)ccc21 12293338 DBLMQFSVRXFYBE-UHFFFAOYSA-N 431.514 2.768 0 40 IFAB Cn1c(CCC(=O)Nc2ccccn2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12773434 FYBDPAAFZVSVDG-UHFFFAOYSA-N 427.530 2.714 0 40 IFAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12905266 FKLQLSHVZLHION-UHFFFAOYSA-N 448.850 2.669 0 40 IFAB O=C(N[C@H]1CCSc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 12977134 ZPBPYCIKJSMQNZ-SFHVURJKSA-N 436.530 2.814 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12981463 NQHRBCMEXFXDDM-CQSZACIVSA-N 430.455 2.989 0 40 IFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CC(C)C)CC2)cc1 13098960 ONTKCYANQCESJB-UHFFFAOYSA-N 445.585 2.934 0 40 IFAB NC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 13128020 OUDUUEKWKHFMLR-HNNXBMFYSA-N 449.964 2.804 0 40 IFAB Cc1ccc(-c2ocnc2C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 13565419 LTNRHTGDLSCUQT-UHFFFAOYSA-N 440.525 2.984 0 40 IFAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 15083276 KDHHXWBFXSLSJG-UHFFFAOYSA-N 440.905 2.630 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1=O 18415566 ZLRNPXZNEKXRPI-QFIPXVFZSA-N 442.903 2.594 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCCC3)[nH]c(=O)c2C1 19239455 XWLIUARWVUFZOV-OAQYLSRUSA-N 449.555 2.916 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 19293043 XHAWOOWPWAVXAY-OAHLLOKOSA-N 428.483 2.722 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 19522964 PVRHJQHVYVUQPP-JOCHJYFZSA-N 435.576 2.919 0 40 IFAB Cc1cc(C)n(-c2cccc(C(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)c2)n1 19574714 LMOFLEQTCDUVTG-UHFFFAOYSA-N 445.570 2.764 0 40 IFAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)c3cccc4cccnc34)cc2)[C@@H](C(N)=O)C1 19699233 RZQCNTDXZKTMNS-YADHBBJMSA-N 430.508 2.554 0 40 IFAB CNc1nc([C@H]2CCCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1CN(C(C)=O)CC2 19710539 HNELXVFRAULFQN-FQEVSTJZSA-N 435.572 2.988 0 40 IFAB COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OC 20460039 WSDNGKAJNHRCOG-UHFFFAOYSA-N 446.569 2.992 0 40 IFAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCCN1CCOCC1 20547095 SFFTUTKBEUQLFN-CQSZACIVSA-N 434.920 2.541 0 40 IFAB C[C@H]1CCC[C@@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1C 20787602 VRULPJNKWFMJKE-WOSRLPQWSA-N 425.323 2.663 0 40 IFAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@@H](C)C(=O)Nc1ncnc2nc[nH]c12 22188777 NXWPADLQUOOHLP-JTQLQIEISA-N 430.490 2.891 0 40 IFAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1OC 22517358 CBLUVDMDQLLZDK-AWEZNQCLSA-N 434.514 2.550 0 40 IFAB CCOC(=O)/C=C/c1ccc(NC(=O)CN2CCN(Cc3csc(C)n3)CC2)cc1 22933515 GKBNMFUHECAOKS-RMKNXTFCSA-N 428.558 2.784 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 23222502 HIEQBEZQEHERJJ-INIZCTEOSA-N 445.475 2.877 0 40 IFAB COc1ccc(CCN(C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 23731890 UBHKAWXCKFIDPA-FQEVSTJZSA-N 425.573 2.911 0 40 IFAB COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1cccs1 24987259 TXEJQBOPSQHBIG-AWEZNQCLSA-N 430.935 2.686 0 40 IFAB CN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)C[C@H]1COc2ccccc2O1 26922413 MDKACBBXBAIAGX-INIZCTEOSA-N 428.489 2.879 0 40 IFAB NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 27329893 RESSSVYMVVHWDL-WNRNVDISSA-N 427.382 2.706 0 40 IFAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(I)cc1 27383951 KIQKQBBONMPURX-NSHDSACASA-N 444.294 2.772 0 40 IFAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(C(=O)OCC(F)(F)F)CC1 29882922 CFGSVOODOHRPCV-UHFFFAOYSA-N 443.466 2.546 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 31598549 LRQLBUPRNQIZMV-IRXDYDNUSA-N 432.542 2.982 0 40 IFAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1csc(COc2ccc(F)cc2)n1 32892752 IQHNMATZGXSUNS-LJQANCHMSA-N 425.485 2.843 0 40 IFAB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCCC1=O 32954648 QCIVFTQDICKFKW-KRWDZBQOSA-N 434.558 2.528 0 40 IFAB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2 33308877 MPIBGVOBEUVWQT-UHFFFAOYSA-N 428.514 2.739 0 40 IFAB COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CC[C@@H](C)[C@H]4CCCC[C@@H]43)=C2)c1 35339805 JPAGQUIAIQVZQO-ZTNFWEORSA-N 431.558 2.986 0 40 IFAB O=C(CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccccc1Cl 36596337 TWBFKDMXJFRPHO-MRXNPFEDSA-N 429.860 2.790 0 40 IFAB CNc1snc(C)c1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 40024300 LBRPSSKEEBPSAH-UHFFFAOYSA-N 444.435 2.766 0 40 IFAB CCCCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 67338495 DWBNHDDIJWVKDW-UHFFFAOYSA-N 447.605 2.561 0 40 IFAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1 67870734 QQAVCNWZLTYTEG-IRFCIJBXSA-N 427.618 2.524 0 40 IFAB biogenic,in-vitro CN(Cc1ccccc1NC(=O)CNC(=O)CC(C)(C)C)C(=O)CNC(=O)CC(C)(C)C 79056278 HCPHKFOSFRVGRC-UHFFFAOYSA-N 446.592 2.688 0 40 IFAB CCOC(=O)CSc1nnc(NS(=O)(=O)c2ccccc2OC(F)(F)F)s1 84793512 BKECAGHVCQZYRT-UHFFFAOYSA-N 443.450 2.893 0 40 IFAB Cc1cnc2c(c1)N(C(=O)CN1C(=O)N[C@](C)(c3ccc4ccccc4c3)C1=O)CCO2 95445553 MRWJTVXIOWYHME-XMMPIXPASA-N 430.464 2.736 0 40 IFAB Cc1ccccc1CCC(=O)N1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12 96263166 YVEHJGMHEHLTHX-OAQYLSRUSA-N 436.556 2.663 0 40 IFAB CS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1cccc(Cl)c1 96520954 SKKXVTONIKCXNV-IUCAKERBSA-N 439.496 2.902 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220208661 SHPXSRTYHQXVCI-CYBMUJFWSA-N 438.502 2.514 0 40 IFAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220221954 AFMSWYQCEVZBHR-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB CC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O 220503863 IATZOMZEQMREIR-JOCHJYFZSA-N 429.586 2.884 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1CCN1CCOCC1 223134821 BNXQEPHNXVNXRU-FGZHOGPDSA-N 437.569 2.829 0 40 IFAB CS(=O)(=O)Nc1cccc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c1 244942677 CUPHKGOIXUMZLY-UHFFFAOYSA-N 425.894 2.917 0 40 IFAB COc1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)c1O 257214040 CKGIPLHSYDLLRW-IIDMSEBBSA-N 437.290 2.649 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(F)cc1 408784991 DZMDTDLZECBWSR-SQWSFHKJSA-N 438.480 2.643 0 40 IFAB CN1C(=O)C(=C(Nc2ccccc2)SCC(=O)Nc2ccccc2F)C(=O)N(C)C1=O 409378693 RPFZETASWUTBJN-UHFFFAOYSA-N 442.472 2.872 0 40 IFAB COCc1noc([C@@H](C)N2CCCC3(CCCN([C@H](C)c4nc(COC)no4)C3)C2)n1 583052480 BCHKVYOUIJZDTG-BLRYKZMTSA-N 434.541 2.746 0 40 IFAB O=C([C@@H]1CCCCN1C(=O)c1ccc(O)nn1)N1CCc2cccc(C(F)(F)F)c2C1 1631532096 CKSVTNOGRBGEDH-KRWDZBQOSA-N 434.418 2.781 0 40 IFAB COc1cccc(N2C[C@@]3(COCCN(C(=O)c4cccc(Cl)c4)C3)OCC2=O)c1 2055803612 UNAGAOLLGKUVQT-QFIPXVFZSA-N 430.888 2.623 0 40 IFAB O=C(NC1CCCCC1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1359234 IAQAMRNKWIRIAV-KRWDZBQOSA-N 435.532 2.785 0 40 IFAB O=C(NCc1ccccc1)c1cccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 3417191 UOLMEBHCTPHAQO-UHFFFAOYSA-N 447.491 2.573 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 3560305 KJLKWTCJWULARB-UHFFFAOYSA-N 442.475 2.967 0 40 IFAB CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NCC(C)C 6193370 PSGJPFBRMMRHEM-UHFFFAOYSA-N 446.617 2.974 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccccc1)n2C 6346206 CNQQRIMBUOIPEY-UHFFFAOYSA-N 428.558 2.853 0 40 IFAB COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1 6924684 XGFGFGOEJDLCQP-UHFFFAOYSA-N 432.531 2.746 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2nnc(S(=O)(=O)c3ccc(C)c(C)c3)c2N)c(C)c1 8599342 SWRVDKGXKWNKFB-UHFFFAOYSA-N 427.530 2.874 0 40 IFAB aggregator Cc1nn(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1C 8714476 DOHALUOMIJAMLS-AWEZNQCLSA-N 438.981 2.631 0 40 IFAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Br)cc1 8760615 MPAJCVZFFMCVNE-OAHLLOKOSA-N 431.286 2.980 0 40 IFAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)oc2c1 8845865 LDTGSCDMEUENPJ-UHFFFAOYSA-N 436.449 2.945 0 40 IFAB CC(CNC(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)(c1ccccc1)c1ccccc1 9252744 XLXVKVPGTQWRSM-UHFFFAOYSA-N 440.503 2.618 0 40 IFAB Nc1nonc1NC(=O)CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 9264062 HYWWGARJCHCKRP-UHFFFAOYSA-N 432.469 2.724 0 40 IFAB CCCCC[C@H](C)NC(=S)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 9373391 YYFPOZSPRNNRKJ-INIZCTEOSA-N 441.619 2.589 0 40 IFAB CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(F)cc1 9392270 BMMCEWLHWSVUEY-SFHVURJKSA-N 425.507 2.698 0 40 IFAB Cc1c(N(Cc2cccc(Cl)c2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C 9426055 JFWAOXJUVGPTHA-UHFFFAOYSA-N 434.949 2.951 0 40 IFAB CCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O 9507559 DVROLOYTJFHHAE-UHFFFAOYSA-N 440.525 2.843 0 40 IFAB COc1ccc(CC(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OC 9660955 ODYWJAQMWVGWIA-UHFFFAOYSA-N 427.888 2.940 0 40 IFAB Cc1cn2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCc1ccccc1 9829446 GBJYAKSQGJUJTB-UHFFFAOYSA-N 431.471 2.888 0 40 IFAB CC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)NCc3ccco3)nnc12 9831594 SGLBTLNUHPZINR-UHFFFAOYSA-N 437.500 2.701 0 40 IFAB CCN(Cc1nc(-c2ccc(C)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10043902 PUESJAVERHEVFZ-UHFFFAOYSA-N 432.484 2.552 0 40 IFAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O 10757983 SCYBWPOVJFHQOD-BTDLBPIBSA-N 443.319 2.737 0 40 IFAB O=C1CCCN1Cc1nnc(SCCCn2c(=O)[nH]c3ccccc32)n1-c1ccccn1 12527586 QJNSXRJRXCELRK-UHFFFAOYSA-N 449.540 2.610 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(F)cc1Cl 12537432 JXJIHUPOWPHXCE-IBGZPJMESA-N 433.867 2.544 0 40 IFAB C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC(C(N)=O)CC1 12768257 DWGBKCZKRBKQTC-VIFPVBQESA-N 433.144 2.736 0 40 IFAB COC(=O)c1ccc(COC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)cc1 13013903 GJAFOZGVNTYJDH-LJQANCHMSA-N 431.510 2.833 0 40 IFAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 13022761 AUGOBTSFZHQFIU-ZDUSSCGKSA-N 441.347 2.944 0 40 IFAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 13507843 PAKLPHQNRDESIQ-JOCHJYFZSA-N 441.528 2.675 0 40 IFAB CCc1nn2c(C)c(C(=O)N3CCN(C)CC3)nnc2c1-c1ccc(Br)cc1 13639283 FLRQRIZYICZBAT-UHFFFAOYSA-N 443.349 2.812 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1 15859892 YMGOBJJFILQFIY-OAHLLOKOSA-N 447.285 2.952 0 40 IFAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 15974904 ODRSGVPAKCIRNW-MYGLTJDJSA-N 443.459 2.517 0 40 IFAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 17200781 NJTLJSXCXNCHOA-UHFFFAOYSA-N 427.482 2.959 0 40 IFAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)c4ccccc4F)nn3c(O)c2C1 19017961 VEKVJYVKNLHNJY-FQEVSTJZSA-N 437.475 2.846 0 40 IFAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 19171552 YDAZWDQJHIXODA-FHWLQOOXSA-N 442.313 2.993 0 40 IFAB C[C@H]1CN(CCC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C[C@@H](C)O1 19497503 DFWJGMBUQFVYQB-CALCHBBNSA-N 440.573 2.684 0 40 IFAB Cc1cc(C)nc(N2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19759371 YQUGMSJISOAXKV-QFIPXVFZSA-N 433.512 2.692 0 40 IFAB CCOc1cccc(CNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 20050242 MNXZVZRZBIVCRI-UHFFFAOYSA-N 434.514 2.677 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccccc1C(F)(F)F 21010330 JVUGFZLNGCRUIM-LBPRGKRZSA-N 437.465 2.679 0 40 IFAB COc1ccc(CCCNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 22329236 NVPGRWBUTOHMJC-UHFFFAOYSA-N 434.558 2.836 0 40 IFAB C[C@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)C[C@H](C)O1 22767993 VKKSFYXICDLINX-KBPBESRZSA-N 441.919 2.749 0 40 IFAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 22971343 PCMCZXFKBZPIOR-UHFFFAOYSA-N 443.525 2.887 0 40 IFAB CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 25193471 ULRNFWBKJRTWQQ-UHFFFAOYSA-N 437.521 2.558 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1C 28210215 KBYGPJACZJMLHZ-YLJYHZDGSA-N 444.553 2.821 0 40 IFAB CCOC(=O)c1c(NC(=O)CCn2c(=O)oc3ccccc32)sc(C(=O)NC)c1C 32842540 BJCYYZONLZIWRS-UHFFFAOYSA-N 431.470 2.530 0 40 IFAB CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@@H]1Oc1cccc2ccccc12 35056764 FYTGFTLKWMSTHB-KOORYGTMSA-N 425.437 2.516 0 40 IFAB COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)Nc2c1c(=O)n(C)c(=O)n2C 35550000 MGZHXBNKVBNLIF-FQEVSTJZSA-N 447.491 2.667 0 40 IFAB O=S(=O)(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 59291779 QMIKZPALFILDHZ-UHFFFAOYSA-N 438.918 2.873 0 40 IFAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N[C@@H](C)C(=O)N1CCOCC1 62885321 NJMYVOVTUHOBAE-AWEZNQCLSA-N 432.318 2.797 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1(N2CCOCC2)CCCC1 78879185 YORXHAGGXQUURF-QUCCMNQESA-N 431.552 2.828 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 95369481 KKDMISMDIBDVSH-OLMNPRSZSA-N 448.361 2.567 0 40 IFAB O=S(=O)(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1cccc2cccnc12 95433129 MCIMAEJUAXZTTF-OAQYLSRUSA-N 425.554 2.959 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1c2sc(=O)[nH]c2SC[C@]1(C)C(N)=O 96306080 JBIZMGMZXRGJME-RBZFPXEDSA-N 444.538 2.528 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)/C=C/C(=O)O)cc3)C2=O)cc1 112289926 LNVOUSBJUKABPX-SXSDINLZSA-N 426.450 2.699 0 40 IFAB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220634916 JLYCNVZQIAVKFR-OAQYLSRUSA-N 433.574 2.883 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2c(OC)cccc2OC)ccc1OC 222923687 SCEOYDGXNPMPNT-UHFFFAOYSA-N 436.530 2.673 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCOCc3ccccc3)CC2)cc1 224351655 ODRSEOVWKGQYCM-UHFFFAOYSA-N 430.570 2.870 0 40 IFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)n[nH]1 225564620 IVZCDWADNWAZDD-UHFFFAOYSA-N 447.417 2.975 0 40 IFAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)n1 225684865 RZACPCJUZYUAIJ-UHFFFAOYSA-N 430.511 2.779 0 40 IFAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1CCN(C(=O)c2ccccc2)CC1 225737190 DTQCSVARTOALLX-UHFFFAOYSA-N 447.583 2.993 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)C(C)(C)O)nn2c(C)c1CCC(=O)NC1CCCC1 257279726 OHXPXNJQDXSQIJ-FQEVSTJZSA-N 441.576 2.772 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 257296564 RDISMJCWHPIYEN-BHIYHBOVSA-N 428.558 2.672 0 40 IFAB O=C1CO[C@]2(CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)CN1c1ccc(F)cc1 257307127 SXHYYMIPQSBCFO-DEOSSOPVSA-N 438.499 2.908 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 260902854 XFSLZLSWQQKSJD-QGZVFWFLSA-N 447.557 2.715 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCOc2cccc3ccccc23)Oc2ccccc21 260941256 SCXQIZGOEAPEIJ-JOCHJYFZSA-N 440.521 2.952 0 40 IFAB COCCc1noc(CN2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)n1 502303359 OVSUYLZOKVWIGX-IBGZPJMESA-N 427.505 2.643 0 40 IFAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575611948 HDFOJOGOGNEAQK-HNNXBMFYSA-N 430.299 2.751 0 40 IFAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148547 YONLOUBCOPSVBG-UHFFFAOYSA-N 434.418 2.908 0 40 IFAB O[C@@]1(COc2cccc(F)c2)COCCN(Cc2cccc(OCCN3CCCC3)c2)C1 585280662 QTAHTOLUGBPSCF-RUZDIDTESA-N 444.547 2.943 0 40 IFAB C[C@]1(c2ccc(CNC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cc2)NC(=O)NC1=O 586819654 PDOVKXLCBOBPDV-LJQANCHMSA-N 448.357 2.537 0 40 IFAB O=C(NCc1nnnn1-c1ccccc1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 680277803 MSMIQGBTIYGQNJ-QGZVFWFLSA-N 429.488 2.537 0 40 IFAB COc1ccc(C(=O)[C@H](c2c(O)c3ccccc3oc2=O)n2ccc(=[N+](C)C)cc2)cc1 1547200753 COHWCCFWWHWZEM-QFIPXVFZSA-O 431.468 2.813 0 40 IFAB O=C1OC2(CN(Cc3ccc(-n4ccnc4)cc3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549161696 JWUYWBLVODRVQT-QHCPKHFHSA-N 429.524 2.763 0 40 IFAB Cc1cc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)C2)ccn1 1775971942 ZLEXPZLSRBTYQZ-QGZVFWFLSA-N 443.525 2.523 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3Cl)cc2C1=O 1936256 GLVMOZTVFYPHKY-UHFFFAOYSA-N 430.844 2.768 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 3460898 SHKQMVQCZXHRJT-IBGZPJMESA-N 434.265 2.672 0 40 IFAB Cc1cccc2nc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)cc(=O)n12 8724199 HOYVFHFXTBXHDP-UHFFFAOYSA-N 430.555 2.865 0 40 IFAB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccco4)c(=O)n32)cc1 8834803 HEYRKMUTTYGXLP-YWFITGJYSA-N 438.505 2.788 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C 9129528 HVLUFGOZNDCRSQ-UHFFFAOYSA-N 431.470 2.763 0 40 IFAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1nc2nc(C)cc(C)n2n1 9534818 ZWYFPNUPXMEMHM-UHFFFAOYSA-N 434.456 2.624 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 9584557 BIKQPIQVWPJNEN-UHFFFAOYSA-N 444.431 2.987 0 40 IFAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 9586311 UXYMWEANOIPEHV-UHFFFAOYSA-N 431.510 2.672 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NCCC1=CCCCC1 9646012 VAIYQQPEAPLRQK-INIZCTEOSA-N 439.603 2.590 0 40 IFAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 9698679 LMFATCRPVKZAPJ-APWZRJJASA-N 437.496 2.596 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)c1C 9829666 DGZITZJTRMWCKZ-UHFFFAOYSA-N 442.523 2.548 0 40 IFAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 9985712 PRJXZPKOLWMXSW-MFOYZWKCSA-N 442.269 2.677 0 40 IFAB COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 10542591 LZSWKTYQOFCBTD-KRWDZBQOSA-N 439.537 2.836 0 40 IFAB Cn1c(=O)c2c(nc3n2CCN3c2cccc(OCc3cccc(Cl)c3)c2)n(C)c1=O 11692398 GYXRRGCKWYGYSZ-UHFFFAOYSA-N 437.887 2.818 0 40 IFAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029821 HCRCFROMUAOMOU-MRXNPFEDSA-N 447.456 2.919 0 40 IFAB Cc1nc2c(c(N3CCC(C(N)=O)(N4CCCCC4)CC3)n1)CN(Cc1ccccc1)CC2 12183363 NWLJQWCEYBTRGC-UHFFFAOYSA-N 448.615 2.654 0 40 IFAB COc1cc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)ccc1O 12327805 QHKVDCMCARBINW-UHFFFAOYSA-N 427.526 2.713 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1C[C@H]1CCCO1 12371146 RULHWPATNPAGHT-GFCCVEGCSA-N 449.920 2.691 0 40 IFAB biogenic,in-vitro COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 12696419 RJEFWYDMCBHJSE-KNUWZQJKSA-N 432.517 2.774 0 40 IFAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1 12738530 KGLBDUHSPBQRBR-UHFFFAOYSA-N 442.493 2.817 0 40 IFAB COc1ccc(CN(Cc2ccco2)C(=S)NCCCN2CCOCC2)cc1OC 13690681 JSIDLDKYECARDC-UHFFFAOYSA-N 433.574 2.896 0 40 IFAB COC(=O)[C@H](CCSC)NC(=S)N(C)Cc1cc2cccc3c2n(c1=O)CCC3 13718566 IOFMYSQRQKUCJF-KRWDZBQOSA-N 433.599 2.549 0 40 IFAB CCn1c(=O)c2sccc2n2c(SCC(=O)NCc3ccc(OC)cc3)nnc12 14001403 WEBSSRUCSQAHEU-UHFFFAOYSA-N 429.527 2.543 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2)C[C@@H](C)O1 14183736 MKOKGBWIPUKIPW-QINHECLXSA-N 430.526 2.738 0 40 IFAB CCOC(=O)C1=C(COc2ccc(Br)cc2Br)NC(=O)NC1 14211731 QBPAHZHLOSTRPN-UHFFFAOYSA-N 434.084 2.720 0 40 IFAB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccccc1F 16033521 JKBMCKGAWQMYHU-GEYWLOKFSA-N 425.847 2.910 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527311 ABGVLQAOKKJDJM-QFIPXVFZSA-N 444.535 2.909 0 40 IFAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)C1 19592631 JOBZURFOQVPGOJ-CEXWTWQISA-N 439.512 2.835 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1 19707207 KFZVYTIMIISWMI-SFHVURJKSA-N 441.532 2.944 0 40 IFAB CNC(=O)c1cc([C@H]2CN(C(=O)C3CN(Cc4ccccc4)C3)CCO2)nc2ccccc12 19762502 SIKDXTPULAEUOP-XMMPIXPASA-N 444.535 2.626 0 40 IFAB O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22235432 RVVJUOCTJPKKAB-UHFFFAOYSA-N 431.492 2.634 0 40 IFAB CN(CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 22975336 PRIQNPFEHOSSNU-HNNXBMFYSA-N 427.979 2.807 0 40 IFAB CN(Cc1ccc(Br)cc1)Cn1nc([C@@H]2CCS(=O)(=O)C2)oc1=S 23844294 AWXYWTVHDLAGEK-GFCCVEGCSA-N 432.365 2.960 0 40 IFAB NC(=O)Cn1c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc2c1=O 23935668 HUZRYUQEFYBEFO-HNNXBMFYSA-N 433.537 2.871 0 40 IFAB CCOc1ccc(-c2nnc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)o2)cc1 23936173 YWERDUXUQJDSAJ-QFIPXVFZSA-N 436.424 2.831 0 40 IFAB CCn1cc(Br)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 27971392 WVTIOAJKBMANAB-UHFFFAOYSA-N 429.321 2.931 0 40 IFAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c(C)c1C 35292634 ACOAQXJDGSSSAF-NRFANRHFSA-N 429.586 2.762 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc3c(c1)OCO3)O2 38858814 CXMVXTDFXDKQFS-FQEVSTJZSA-N 446.525 2.556 0 40 IFAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC 39588589 JZRFWFBQXLJFLW-QPJJXVBHSA-N 429.425 2.679 0 40 IFAB CN1C(=O)N(CC(=O)NCCOc2cccc(Br)c2)C(=O)C12CCCCC2 40157277 RAEIWRHNBMJFAR-UHFFFAOYSA-N 438.322 2.541 0 40 IFAB COc1cc(NC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)c(OC)cc1Cl 40287804 DSJRDGNGILZYGB-UHFFFAOYSA-N 433.848 2.723 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(F)c(Cl)c1 40478089 QIUPUPRNTWPPGO-UHFFFAOYSA-N 448.792 2.746 0 40 IFAB O=C(NCCn1ncc2c(N3CCN(Cc4ccccc4)CC3)ncnc21)c1cccs1 56965558 YTMZIBISHFBNFD-UHFFFAOYSA-N 447.568 2.640 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Cn2ccnc2)s1 71795983 SUMOVOOWYJEPSC-LJQANCHMSA-N 444.582 2.771 0 40 IFAB C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCN2CCCS2(=O)=O)[C@@H]1C 72280620 VXTORAWHPUQEOC-ZHALLVOQSA-N 436.574 2.994 0 40 IFAB C[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cc(Cl)ccc2N3)C1 72326601 SCCAHMZDCIOURH-HLFMIMNKSA-N 432.952 2.851 0 40 IFAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(N3C[C@H](C)O[C@H](C)C3)nc2C1 72335570 QNUMIIOHSBFBEM-YESZJQIVSA-N 440.544 2.761 0 40 IFAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)COCCN3CCCC3=O)n2)n1 72375551 RQVVNOJOIZIEMN-KRWDZBQOSA-N 429.546 2.893 0 40 IFAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc2c(c1)OCO2 89827680 HZGZXGHRRIHAMK-UHFFFAOYSA-N 443.459 2.527 0 40 IFAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)C4CCOCC4)CC3)c3ccccc32)CC1 96052965 ZTIKHFJORCLYEW-OAQYLSRUSA-N 439.600 2.625 0 40 IFAB COc1ccc(C2=NO[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@H]54)[C@@H]23)cc1 100204950 ZGOYGPMYIGGZBU-YVPXXBPTSA-N 446.459 2.795 0 40 IFAB CSc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)c1 101169263 FHFIIQBCRGZIQV-DLBZAZTESA-N 431.424 2.619 0 40 IFAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1)c1ccc(OC)cc1 223111303 ZVEUUBUAGNYVRD-QGZVFWFLSA-N 432.498 2.787 0 40 IFAB COCCNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c1 223236386 AFDGZVLVXLCFSM-UHFFFAOYSA-N 445.497 2.668 0 40 IFAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 224641091 KQOBMBCPYMZFFR-UHFFFAOYSA-N 427.570 2.997 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 257229625 FYUWFWRIGNWBFK-LJQANCHMSA-N 436.537 2.804 0 40 IFAB CCN1CCN(C(=O)CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257314788 UYLHEUFVYZEGCK-LJQANCHMSA-N 425.504 2.608 0 40 IFAB CCNC(=O)NC[C@H]1CC[C@]2(COCCN(Cc3cc(C)ccc3Br)C2)O1 306124256 BKSDBFAZXMCGRK-XLIONFOSSA-N 440.382 2.827 0 40 IFAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c(C)c1 408651792 DYCJWUKNMPEGTK-MRXNPFEDSA-N 443.887 2.632 0 40 IFAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)c1OCC(=O)O 409208274 ADULKVULZUFCQA-NVNXTCNLSA-N 437.470 2.784 0 40 IFAB Cc1cc(C)n(-c2ccc(-c3nc(-c4cccc([C@]5(C)NC(=O)NC5=O)c4)no3)cn2)n1 546500278 BWQDIBNKJABKHW-QFIPXVFZSA-N 429.440 2.656 0 40 IFAB Cc1ccc(C)c(OC[C@@]2(O)CN(Cc3ccc(OCCN(C)C)cc3)CC[C@@H]2O)c1C 585285940 FMSOTHPMUKXVFA-AHWVRZQESA-N 442.600 2.929 0 40 IFAB C[C@@]1(c2cccc(-c3noc([C@@H]4CCCN4C(=O)c4ccccc4)n3)c2)NC(=O)NC1=O 685286444 KCWWHADRIKEZKL-SBUREZEXSA-N 431.452 2.769 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)SCC3)cc1 2719893 VHZQGSWRZPLMLT-MRXNPFEDSA-N 447.582 2.667 0 40 IFAB COc1ccc(N(C(=O)c2cccc(OC)c2OC)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 4101753 ACYCKOAVPTZTAZ-CQSZACIVSA-N 433.482 2.679 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(F)cc1 6237850 VRSXHTMMEJTFKP-OXRZLYTFSA-N 426.444 2.686 0 40 IFAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2ccccc2c1=O 6878235 PFWQFCMQDPHQBO-UHFFFAOYSA-N 428.539 2.796 0 40 IFAB COc1ccc(-c2ccc3c(c2)C(=O)N2C[C@@H](NC(=O)c4cccn4C)C[C@H]2C(=O)N3)cc1 8294984 DIMVSMDZBGXUOO-JTSKRJEESA-N 444.491 2.666 0 40 IFAB biogenic,in-vitro COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2c(OC)cccc2OC)[C@H](C)C1 8741801 UJYYKKAGNDDXCJ-OAHLLOKOSA-N 428.485 2.708 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OCC(N)=O 8966051 GFKMOORTQLLGDL-QKYXPGDISA-N 438.480 2.707 0 40 IFAB Cc1cc(C)n2nc(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)nc2n1 9223520 UGGIFPOVQRTNGZ-SFHVURJKSA-N 436.516 2.618 0 40 IFAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCc3ccc(O)cc3)C2=O)cc1OC 9253349 FPKVSZTWBORSFI-UNOMPAQXSA-N 442.493 2.805 0 40 IFAB COC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCN(C(=O)OC)C2 9325134 FYNMJHCGNZTRGB-UHFFFAOYSA-N 432.454 2.683 0 40 IFAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1C(=O)OCC 9379303 RHCILXWYCKHZPY-UHFFFAOYSA-N 448.545 2.596 0 40 IFAB Cc1cccc(NC(=S)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 9704252 KDSPQKOZIIAKOE-UHFFFAOYSA-N 425.510 2.799 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1Cl 11865996 QXHSNYYRCUJZQL-HNNXBMFYSA-N 425.876 2.980 0 40 IFAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3O)CC2)cc1 12606321 IOCXAEQKWDBIQR-UHFFFAOYSA-N 425.514 2.671 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1C 12893952 QYWDZMVWNNBQOV-OAHLLOKOSA-N 432.498 2.802 0 40 IFAB COc1ccccc1CNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 13843965 JUBWFNLEOXCVFF-OAQYLSRUSA-N 449.551 2.912 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2OC)cc1Cl 16692549 FYBMIBWCFNMEAA-UHFFFAOYSA-N 426.922 2.684 0 40 IFAB CC(C)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1Cl 17128455 SOUCBWXIKQTPLN-UHFFFAOYSA-N 444.962 2.930 0 40 IFAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cc(CCOc3ccccc3Cl)[nH]n2)c1 19703767 GPALWELCXFBOQX-QGZVFWFLSA-N 435.937 2.944 0 40 IFAB COc1cccc(C(=O)N2CC[C@@H](c3ccnc4c(CN5CCOCC5)c(C)nn34)C2)c1 19707919 KGESCDLTRFURAZ-LJQANCHMSA-N 435.528 2.508 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2OC)nc2c1CN(C(C)=O)CC2 19710828 BCUZPBLJAVYBQH-FQEVSTJZSA-N 437.544 2.728 0 40 IFAB Cn1nc2c(c1C(=O)N[C@H]1CCc3ccc(S(=O)(=O)NC4CCCC4)cc31)CCCC2 19749504 RRCVCJAVJGJUFJ-FQEVSTJZSA-N 442.585 2.937 0 40 IFAB CCN(CC(=O)NCCc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930080 WHSCVIACTIBBJC-UHFFFAOYSA-N 440.949 2.727 0 40 IFAB Cc1cc(C)c(NC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)c(Cl)c1 21434683 KZZCYKCCWXGWTI-UHFFFAOYSA-N 428.964 2.829 0 40 IFAB COc1cc(C(=O)NCC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC 23558840 OYXDJAKMEKGFOR-UHFFFAOYSA-N 429.469 2.794 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 23786690 CJYBBMMESSESBI-LJQANCHMSA-N 429.542 2.791 0 40 IFAB O=C1C[C@@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C(=O)N1c1ccc(F)cc1 25174444 OOZLTEIVRDKUQV-MRXNPFEDSA-N 426.477 2.510 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)CSc2ccc(Br)cc2C)CC1 25952784 PJRUEQZUZLMKGG-UHFFFAOYSA-N 435.409 2.780 0 40 IFAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 27391823 ZWCZQZPHBSOSRW-CQSZACIVSA-N 437.949 2.717 0 40 IFAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)CC(=O)Nc1ccccc1Cl 31421027 GCVKHYZZASLJBS-HXUWFJFHSA-N 426.904 2.966 0 40 IFAB COc1cccc(-c2noc(CN3C(=O)N[C@](C)(Cc4ccc5c(c4)OCO5)C3=O)n2)c1 32731804 LDVLECYUDGLOOZ-JOCHJYFZSA-N 436.424 2.527 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CCN2CCCC[C@H]12 36390162 QSWNRXUFUBCOEN-LEWJYISDSA-N 433.508 2.848 0 40 IFAB O=C(CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)Nc1cc(F)cc(F)c1 40033498 JHBDNBFZZSKISC-QGZVFWFLSA-N 428.439 2.821 0 40 IFAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1cnn(-c2ccccc2)c1 40039976 UQFSKFGKHYSQAO-UHFFFAOYSA-N 428.514 2.750 0 40 IFAB COc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCC(C)C)CC2)c1 49001730 QVKKNTOHKDECGY-UHFFFAOYSA-N 437.587 2.653 0 40 IFAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)c2ccc[nH]c2=O)CC1 59002888 PJKQGYFWNDHPIA-CYBMUJFWSA-N 447.417 2.963 0 40 IFAB COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 63376216 UZTJEDVSAVRYMP-QZTJIDSGSA-N 438.908 2.502 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)cc1OC 72325195 MRUWCKANHVYPTK-DEOSSOPVSA-N 437.496 2.651 0 40 IFAB O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325743 IOKXNBGKTNMTAT-UHFFFAOYSA-N 442.472 2.817 0 40 IFAB CC(C)(C)[C@H]1CCc2noc(C3CCN(C(=O)CCCN4C(=O)CNC4=O)CC3)c2C1 72392437 HSVCDUDSNBHWDD-INIZCTEOSA-N 430.549 2.864 0 40 IFAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 95347485 KIECQJLJFISQRO-KRWDZBQOSA-N 428.341 2.526 0 40 IFAB COc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)[nH]n1 96114129 LTKKIDVNYGIBHJ-IBGZPJMESA-N 431.452 2.894 0 40 IFAB biogenic NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1 102343046 FAFACZRCKUAPOB-DCAQKATOSA-N 435.329 2.949 0 40 IFAB NS(=O)(=O)c1ccc(CNC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102972760 OGCGTMVGMJEFCL-JDPPGYRCSA-N 427.364 2.684 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)cc1Cl 103507465 UPWHPEORGVZSOG-JYJNAYRXSA-N 441.915 2.509 0 40 IFAB CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 104848303 CNUJKNMOGSRQMN-LSDHHAIUSA-N 443.541 2.650 0 40 IFAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 107688783 WOATVVKLDVJELE-HNNXBMFYSA-N 429.420 2.576 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1 168375914 VVJKYZNOQTZQPG-UHFFFAOYSA-N 432.521 2.964 0 40 IFAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 247980323 JHSCHRZCALCHAG-MEKIYTOJSA-N 428.577 2.573 0 40 IFAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 257224332 FBIOKPOZROONPC-OAQYLSRUSA-N 448.567 2.514 0 40 IFAB Cn1nc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1CCOc1ccc(F)cc1 257322114 WEQVFJXRIOGWHL-JOCHJYFZSA-N 445.516 2.943 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(OC)ccc2OC)CC1=O 408660290 NKIMLVMDGNPBFJ-HNNXBMFYSA-N 442.468 2.637 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408672461 ZEZBYWRSVCNFDE-ROUUACIJSA-N 434.448 2.946 0 40 IFAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3C2=O)s1 408688873 RGURFMFLPCPSBH-UHFFFAOYSA-N 440.412 2.582 0 40 IFAB O=C(CN1CCc2c1cccc2C(F)(F)F)NCc1ccc(C(=O)N2CCOCC2)cc1 545398170 ALADHGZIYHVURD-UHFFFAOYSA-N 447.457 2.857 0 40 IFAB CO[C@@H]1CCn2cc(C(=O)N[C@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)nc2C1 1615613409 UZZOWURXLHMENF-LSDHHAIUSA-N 427.455 2.731 0 40 IFAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O 793287 UVOYJGAVMQCMIZ-UHFFFAOYSA-N 445.541 2.644 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)sc(CC)c1C 2627903 YXKUYCSEPIXGEP-UHFFFAOYSA-N 445.501 2.646 0 40 IFAB COc1cc2nc(CN(C)Cc3ccc(OC)c(OC)c3OC)[nH]c(=O)c2cc1OC 2651002 DCEHLNMZSWTNAP-UHFFFAOYSA-N 429.473 2.598 0 40 IFAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CCCOC 3524567 FRTCPWWGPUGIPJ-LBPRGKRZSA-N 425.942 2.961 0 40 IFAB COc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(Cl)cc4)c3n2)c1OC 4175939 HJPNXJBLZOHFEA-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)s2)c1C 8684851 AWLHBDGGBFPFFO-ZDUSSCGKSA-N 426.589 2.636 0 40 IFAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OCC(N)=O)C2=O)cc1 9283056 BVMQBRJUIMNXPY-YVLHZVERSA-N 425.466 2.534 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9283968 KXMICGWONRMBOB-GOSISDBHSA-N 443.569 2.796 0 40 IFAB COc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)n2)cc1 9442496 ABWNXQAYJZVPHF-FOIQADDNSA-N 447.538 2.754 0 40 IFAB Cc1cccc(C)c1NC(=O)CNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 9447836 VQESOOXGLVTEOS-ZDUSSCGKSA-N 438.553 2.955 0 40 IFAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9507652 ZYOQVMHGSCPOCA-HNNXBMFYSA-N 449.960 2.751 0 40 IFAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 9583432 NCUGECFYZBYNFZ-LJQANCHMSA-N 447.241 2.874 0 40 IFAB CCCc1cc(O)nc(SCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)n1 11438603 APMQGRZANZLUHK-UHFFFAOYSA-N 432.521 2.917 0 40 IFAB O=C1N[C@]2(CCCN(C(=O)C3CCN(C(=O)Cc4ccccc4)CC3)C2)Nc2ccccc21 12089271 GVKMKEZCVQRIOV-SANMLTNESA-N 446.551 2.642 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2n1 12230425 LDYFTGVEZGZKRS-DOMZBBRYSA-N 444.479 2.970 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N1CCc2ccccc2C1 12553472 YREWEFATFUBOGX-UHFFFAOYSA-N 435.553 2.781 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 12738505 WOAWSBWDXSYLDJ-UHFFFAOYSA-N 427.526 2.891 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c(C)c1 12771861 PNACENNMIAHEJN-UHFFFAOYSA-N 426.538 2.921 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC(=O)Nc1c(C)cccc1C 12802159 JPBQDXUTWLLJQL-UHFFFAOYSA-N 429.542 2.765 0 40 IFAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12998960 JDPYAMCPADXXKM-FQEVSTJZSA-N 433.961 2.666 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 13633247 YIYGVPPVQGOATM-UHFFFAOYSA-N 445.585 2.671 0 40 IFAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1Cl 13688581 WVJYUWCNJCOGQY-UHFFFAOYSA-N 444.918 2.606 0 40 IFAB CCOC(=O)N1CCN(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)CC1 14247850 TVNHYDMPLKGGJT-CYBMUJFWSA-N 438.481 2.742 0 40 IFAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 15222458 PQHXUPPMCXPBIH-ZDUSSCGKSA-N 439.493 2.555 0 40 IFAB COc1cn(CC(=O)NC2CCCCC2)c(CN2CCN(c3ccccc3)CC2)cc1=O 16974658 ASJXXGBYFJMKHU-UHFFFAOYSA-N 438.572 2.628 0 40 IFAB CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 17532220 VSWLXCJCOSQEAA-AWEZNQCLSA-N 438.933 2.842 0 40 IFAB C[C@H]1Cc2cc(C(=O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497841 HMGJRQDVXYGMKZ-INIZCTEOSA-N 446.544 2.703 0 40 IFAB COc1ccc(CC(=O)N2CC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)cc1OC 19560330 GWOGETSTEYJWQY-QGZVFWFLSA-N 434.496 2.746 0 40 IFAB COc1cccc(N(C)CCC(=O)N2CCO[C@H](c3ccc(-c4cncnc4)cn3)C2)c1 19693557 QTJGWNFVHZDJFD-QHCPKHFHSA-N 433.512 2.974 0 40 IFAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(C(=O)COC)CC2)n1 19697366 CSRKDABOCZAHRK-INIZCTEOSA-N 441.507 2.530 0 40 IFAB CCOc1cccc(OCC(=O)N2CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 19757423 BNXZORYJSIKBIT-GOSISDBHSA-N 438.528 2.815 0 40 IFAB Cc1ccc2c(c1)cc(C(=O)N1CC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C1)n2C 19757672 GGRTZRISWMKRKN-GOSISDBHSA-N 447.539 2.687 0 40 IFAB O=C(NCCN1CCOCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 20366332 QCVHKJDYWJDPOO-UHFFFAOYSA-N 430.345 2.631 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 20405028 ACLVBSQYYLSXCY-UHFFFAOYSA-N 428.436 2.570 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 21216499 LKRMXXAWQZTRBH-UHFFFAOYSA-N 425.304 2.959 0 40 IFAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)cc1OC 22252791 CUJAYALTMVQNKW-UHFFFAOYSA-N 438.502 2.759 0 40 IFAB Cc1sc2nc(CN3CCCC3)nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c2c1C 22343576 WDNIGASGIQNPFM-QGZVFWFLSA-N 429.590 2.732 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 22588431 FDDVCPCXYJOIMP-FQEVSTJZSA-N 433.530 2.985 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc2nc(O)c(-c3ccc(F)cc3)nn12 22720660 MWIBHYLYYSTIDZ-UHFFFAOYSA-N 426.433 2.770 0 40 IFAB COC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1CCN1CCOCC1 22720995 LHBFNEJRUXPQPE-UHFFFAOYSA-N 445.566 2.722 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(N3CCCC3=O)cc2)s1 25499598 UMHKNEUPDLAAPM-GOSISDBHSA-N 447.582 2.653 0 40 IFAB Cc1cc(=O)c(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)nn1-c1ccccc1Cl 25922761 PTOKTEATASMQCT-UHFFFAOYSA-N 435.864 2.989 0 40 IFAB COC(=O)C1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1 26603160 GLGABHOSIVLJLP-KRWDZBQOSA-N 442.343 2.808 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 27466050 XFABIDWKHYGSQF-FQEVSTJZSA-N 438.509 2.951 0 40 IFAB Cc1cnc2c(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)cccc2c1 29348742 NKPLRTNKZGJEEY-UHFFFAOYSA-N 439.537 2.821 0 40 IFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30531712 LIENTOMFNWIRGL-HNDWGLKSSA-N 446.481 2.711 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=S)N1CCN(c2cc(C)c3ccccc3n2)CC1 36580020 LYPITUPPHKRVNS-GOSISDBHSA-N 432.615 2.834 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc3c(c1)OCCO3)O2 38853817 IWNBTGXSESQSRY-HXUWFJFHSA-N 446.525 2.921 0 40 IFAB COCc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)s1 40267423 YDIQKDXORNALFF-OAQYLSRUSA-N 443.529 2.648 0 40 IFAB COC(=O)c1cc(Cl)c(NC(=O)NCc2ccnc(N3CCOCC3)c2)cc1OC 48368513 XBBVCDQAVCNZDJ-UHFFFAOYSA-N 434.880 2.689 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2sccc21 57486054 OFHDVANQLUTVQW-UHFFFAOYSA-N 429.498 2.696 0 40 IFAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NS(=O)(=O)N1CCc2ccccc2C1 69558274 IINDHYSXWDALLH-IBGZPJMESA-N 449.960 2.514 0 40 IFAB O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 72059506 QPRHNLPGPCVXHM-INIZCTEOSA-N 446.349 2.688 0 40 IFAB CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(Cl)c(F)c3)C2)cc1 95946328 QIDQMKNUXUFJDF-KRWDZBQOSA-N 445.925 2.961 0 40 IFAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccsc4)cc32)n1 96156468 IYDZDVFQNAWQJT-KRWDZBQOSA-N 445.570 2.762 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)cc1 220321976 JSKMSGXXFKOUIF-AWEZNQCLSA-N 432.477 2.655 0 40 IFAB COC(=O)C1CCN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 222668698 YFIAIBAKRNRDRR-UHFFFAOYSA-N 430.954 2.606 0 40 IFAB COc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1OC 223181796 RNBIFYBMEYZYEK-UHFFFAOYSA-N 448.526 2.627 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223651704 JJRMOVLJZBHIEC-LJQANCHMSA-N 445.585 2.623 0 40 IFAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)n2)c(OC)c1 223759728 KMINLGJVAKBRKC-UHFFFAOYSA-N 433.486 2.892 0 40 IFAB COc1ccc(N(CCCC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1 225228084 JPBXTYPKMNOKLP-UHFFFAOYSA-N 425.595 2.624 0 40 IFAB O=C(CN1CCC[C@H]1c1ccnc(-c2ccccn2)n1)NCCc1nc2ccccc2[nH]1 257209615 BRCVYQKIZQSPSW-NRFANRHFSA-N 427.512 2.911 0 40 IFAB O=C(Cc1ccc2c(c1)OCCCO2)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257323803 WLWGAQJRFAMMKX-OAQYLSRUSA-N 447.495 2.919 0 40 IFAB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408656490 SRABZHSMTHGNMF-HOCLYGCPSA-N 427.453 2.880 0 40 IFAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1ccc(CC)cc1 409375656 NOPALZIDBAUXRS-SFHVURJKSA-N 435.484 2.841 0 40 IFAB Cc1ncsc1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643556338 LAZFUBQDBOTRNU-JOCHJYFZSA-N 429.542 2.584 0 40 IFAB COc1ccc(-c2ncnc(N3CCN(c4nc(C)nc5c4cnn5C)CC3)c2F)cc1 1775971846 VKEHOINEJNSQQS-UHFFFAOYSA-N 434.479 2.603 0 40 IFAB COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 2076860 QXYSAWGGMLBVBG-UHFFFAOYSA-N 426.922 2.615 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)sc(C)c1C 2658362 QUNXCQLHSJJXIF-OAQYLSRUSA-N 429.498 2.947 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc3nc(C)cc(C)n23)n1 3345627 SJIATVQGIZFVNX-UHFFFAOYSA-N 425.474 2.606 0 40 IFAB Cc1cc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)n2c2ccccc12 3444925 VGXOZPWIIVEWBJ-UHFFFAOYSA-N 438.513 2.569 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCCC(C)C)C(=O)[C@]31C 4081959 XYWBRSAMTKBAQJ-PSLXWICFSA-N 426.517 2.763 0 40 IFAB biogenic COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)cc1OC 4176056 GUFOJQFEXNFJTQ-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 6149656 SBLIAQCSNVNLJH-OAHLLOKOSA-N 432.546 2.536 0 40 IFAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCN(C(=O)c2cccs2)CC1 8884456 UTVDBXQOSKZSRX-UHFFFAOYSA-N 433.839 2.567 0 40 IFAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O 8886462 FTCDLFNXSQGZMZ-XMMPIXPASA-N 428.448 2.592 0 40 IFAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CCCN2C(=O)CN(C)C2=O)cs1 8936655 WIOHNNXOJGZTDB-UHFFFAOYSA-N 430.486 2.545 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1C 9203575 UKVGDJPHBNCQEZ-UHFFFAOYSA-N 443.500 2.645 0 40 IFAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCc2ccccc21 9263360 ZJGUEVXBPKCFGU-UHFFFAOYSA-N 439.516 2.608 0 40 IFAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9336512 XKYBYGYMXMCVOH-HNNXBMFYSA-N 436.917 2.693 0 40 IFAB COc1ccc(NC(=O)CCNC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 9420999 MUAXJSLANSXTAW-UHFFFAOYSA-N 449.511 2.673 0 40 IFAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)N[C@H]1CCS(=O)(=O)C1 9544529 OJNCVSIINDPEOE-INIZCTEOSA-N 434.587 2.710 0 40 IFAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 9664036 YIXBXIBWYNEECR-KRWDZBQOSA-N 438.505 2.670 0 40 IFAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 9869625 PGMFHVJAMSSLSM-UHFFFAOYSA-N 436.493 2.686 0 40 IFAB CN(CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 10057627 ZVGLVYSLCMJKLU-UHFFFAOYSA-N 447.465 2.612 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)cc1 10255279 GLHJIXJJIHIYSH-KRWDZBQOSA-N 442.541 2.600 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 10929796 QZMVFVVWVJQKQM-AWEZNQCLSA-N 429.498 2.872 0 40 IFAB COc1ccc(-c2nccc3ccn(CC(=O)N4CCCN(C(C)=O)CC4)c23)cc1OC 12232235 DXPAAABXKHVUQW-UHFFFAOYSA-N 436.512 2.801 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1=O 12527746 YNKHQNVLVRMIBT-JOCHJYFZSA-N 442.903 2.582 0 40 IFAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 12621964 YCHIWDLRYKBRFH-GOSISDBHSA-N 436.530 2.814 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C1=O 12635046 JSBQDPZKDURWMP-UHFFFAOYSA-N 444.513 2.711 0 40 IFAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 12728168 YJWZUHMKXRKMQC-KRWDZBQOSA-N 431.495 2.960 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)cc1 12768850 KMAOIHJSCWMWNJ-KRWDZBQOSA-N 429.542 2.799 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(Cc2ccc4c(c2)OCO4)C(=O)[C@]31C 12866410 TYSVLAGJNPWPOI-DEOSSOPVSA-N 433.464 2.548 0 40 IFAB biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCO[C@H](C)c1ccccc1 12870960 SPRJONXHRBYGNK-LJQANCHMSA-N 446.569 2.914 0 40 IFAB CC(C)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 12925681 RDJXKNQQHQIRFT-UHFFFAOYSA-N 445.988 2.869 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2Cl)cc1OC 12928930 QCEJFQQPKTYRGJ-UHFFFAOYSA-N 447.340 2.995 0 40 IFAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1 12987171 IMCPQRSGNSMFOS-UHFFFAOYSA-N 429.542 2.645 0 40 IFAB Cc1cccc(C)c1N1C(=O)C[C@@H](N(O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)C1=O 13751297 ITTDHQNVGAWNQU-QZTJIDSGSA-N 435.480 2.575 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 13992237 SVXXPRZBLDRUMW-SFHVURJKSA-N 431.492 2.942 0 40 IFAB COc1cc(CC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc(OC)c1OC 14121650 ZEZICMUMNLWHRX-OKILXGFUSA-N 435.546 2.959 0 40 IFAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 16518276 GHEAKICNCILMSU-AWEZNQCLSA-N 432.933 2.644 0 40 IFAB CC(C)N1C[C@@H](C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O 19447672 XTBDWYZUSFCUQW-KRWDZBQOSA-N 441.551 2.564 0 40 IFAB COc1cc(CCC(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)on1 19448333 OPQKEYXPTUAKEU-GOSISDBHSA-N 429.521 2.632 0 40 IFAB CCc1n[nH]c(C(=O)N2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1C 19520928 MJIQQECLBTWRIV-XMMPIXPASA-N 432.528 2.688 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc(C2CCN(CC(=O)Nc3cccc(F)c3C)CC2)n1 19709690 JGLODCMNCGBSNW-UHFFFAOYSA-N 442.539 2.762 0 40 IFAB CNC(=O)c1cc([C@@H]2CN(C(=O)COc3ccc(F)cc3F)CCO2)nc2ccccc12 19762757 QRFWQNMPEOXRAS-NRFANRHFSA-N 441.434 2.852 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC 19868752 RCSOCYINFYBETK-MRXNPFEDSA-N 438.571 2.525 0 40 IFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCCc1ccc(OC)cc1 22096085 QKYCFAQPFQOJIV-UHFFFAOYSA-N 431.485 2.675 0 40 IFAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 22287392 LTKCTFJSAYUHGU-UHFFFAOYSA-N 428.558 2.756 0 40 IFAB O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)Nc1ccccc1C(F)(F)F 22916304 XSGPAOOPDLBFIT-UHFFFAOYSA-N 426.483 2.664 0 40 IFAB CCN1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 22929679 QTASYEJHAMFAKO-OAQYLSRUSA-N 440.935 2.830 0 40 IFAB O=C(c1cccs1)N1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1 23907829 HMACQSWZNUFOGM-UHFFFAOYSA-N 440.916 2.786 0 40 IFAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)c1cccc(F)c1 24772154 YUPPHXAFRICBKU-QVKFZJNVSA-N 436.443 2.547 0 40 IFAB CC(C)(C)NC(=O)NC(=O)CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 25381479 MLTICEPMCSIFHM-UHFFFAOYSA-N 436.556 2.587 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1csc2c1CCCC2 25436509 MQDZPACEJQIOMH-UHFFFAOYSA-N 426.585 2.639 0 40 IFAB CCOc1cc2c(cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1)O[C@@H](C)C2 32748139 RRMLMNFMVQUANM-JKSUJKDBSA-N 432.542 2.700 0 40 IFAB COc1ccc(-c2cc(C(=O)NCCC(=O)N3CCOCC3)c3ccccc3n2)cc1OC 32902229 BTYIGFLKNBXJJZ-UHFFFAOYSA-N 449.507 2.898 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCCc2ccccc21 34886214 SSIUBDNWCQBJEN-UHFFFAOYSA-N 439.990 2.687 0 40 IFAB CN(C)CCCN[C@H](C(=O)O)c1cn(CCC(=O)O)c2cc(Br)ccc12 36365894 XUOAFSDUVZCOKS-KRWDZBQOSA-N 426.311 2.546 0 40 IFAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1nc2ccccn2c1=O 40057951 ZEWSKSNXLDYWRS-UHFFFAOYSA-N 436.299 2.680 0 40 IFAB NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3sc4ccccc4c3Cl)CC2)o1 40154125 FRASVAVUDLFKMT-UHFFFAOYSA-N 439.946 2.753 0 40 IFAB CC[C@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)c1ccc2c(c1)OCCO2 40156970 FYCNXFNRLNBTLI-IBGZPJMESA-N 435.480 2.975 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 48290603 XKIFVXQUHHLNHJ-UHFFFAOYSA-N 443.997 2.762 0 40 IFAB Cc1cccc(Cl)c1NC(=O)Cn1ncc(SCC(=O)NC2CC2)c(Cl)c1=O 49401147 QMYMBCMVPFYHGP-UHFFFAOYSA-N 441.340 2.868 0 40 IFAB Cc1cc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n2c(N2CCc3ccccc3C2)n1 57505838 RPLFUQZRIKKFRZ-UHFFFAOYSA-N 432.459 2.540 0 40 IFAB CCOC(=O)CCCC(=O)N1CCC(Cn2nc(-c3ccc(OC)cc3)ccc2=O)CC1 57729317 ULEUEXDLMQHSIY-UHFFFAOYSA-N 441.528 2.891 0 40 IFAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)ncn3n2)cc1 67208748 GBCQYEDEULAMIS-UHFFFAOYSA-N 433.468 2.776 0 40 IFAB O=C1NCCCC[C@H]1N1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 72297829 YHIBVJVQNHDANI-HXUWFJFHSA-N 433.512 2.559 0 40 IFAB O=C1NCCN(C(=O)CCn2ncc3c2CCCC3)[C@@H]1Cc1cccc(-c2cccnc2)c1 72351721 FASXNNVYGRZCNR-XMMPIXPASA-N 443.551 2.784 0 40 IFAB O=C(NC[C@@H]1CCCOC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 72373023 KPXFVUGANPNLMH-MDNUFGMLSA-N 442.581 2.504 0 40 IFAB COc1cc(CC(=O)N2Cc3ccccc3OC[C@H]2Cn2ccnc2)cc(OC)c1OC 72394829 HAKLPUJWMZMUSI-LJQANCHMSA-N 437.496 2.941 0 40 IFAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 84692180 IDRLNYZFMULJKG-ZDUSSCGKSA-N 432.874 2.913 0 40 IFAB COc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)[nH]n2)cc1 98212513 KDKPZBMDQQANCG-UHFFFAOYSA-N 436.512 2.994 0 40 IFAB COC(=O)[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn2[C@H]1C(=O)OC 102112656 AXLVOYPILFLVGR-WOJBJXKFSA-N 448.479 2.777 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 102540566 DYBDTIJRCPYMPG-GSSZLLCSSA-N 435.451 2.976 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(F)cc1F 220085782 XITGMSFUYZWMQQ-UHFFFAOYSA-N 437.468 2.606 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)c1ccc2c(c1)OCO2 223526685 SJAXQSWOSUUPKS-UHFFFAOYSA-N 442.493 2.530 0 40 IFAB CSc1nnc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)s1 224763834 VSRTZUFSPKEXTB-UHFFFAOYSA-N 427.360 2.972 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225804644 SCXFNBDDKQDOBE-UHFFFAOYSA-N 440.403 2.974 0 40 IFAB COc1cc2c3c(c1)C(CN1CCN(C(=O)c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O 575473009 VEIZVBMJVYUBKR-UHFFFAOYSA-N 445.519 2.858 0 40 IFAB C[C@@H](CO)NC(=O)CN1CCCCCCOc2ccccc2Nc2ncccc2C1=O 643585301 XDSJKNRUTFJDNM-KRWDZBQOSA-N 426.517 2.717 0 40 IFAB C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)(c2ccccc2)CC1 1627939565 ZWNXVSUQARLRGW-IBGZPJMESA-N 425.573 2.873 0 40 IFAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775968877 YBAXNLHFKCYODJ-LBPRGKRZSA-N 430.299 2.858 0 40 IFAB CC(C)n1nc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C(C)C)C[C@H]3C2)ccc1=O 1888918234 FDEOSPBXGSRLKQ-QZTJIDSGSA-N 434.544 2.963 0 40 IFAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCN(C)CC1 901112 OODAYXXSUSUCJW-ZDUSSCGKSA-N 425.480 2.922 0 40 IFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O 2246775 HZXWPYLZVMCYFR-FUHWJXTLSA-N 434.514 2.932 0 40 IFAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc2c(c1)CCC2 3359082 YMEQXYLTAHBFMI-UHFFFAOYSA-N 428.510 2.755 0 40 IFAB CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1C 8718570 YRKKQKUSBSUXPP-NSHDSACASA-N 442.476 2.565 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 8825793 KDVJUVDQYRHAQA-MRXNPFEDSA-N 449.573 2.599 0 40 IFAB O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)Nc1ccccc1Oc1ccccc1 8883049 BYYLIACEDGFBQW-HXUWFJFHSA-N 425.416 2.889 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 9128799 GOAWHZUXOLKFSG-GOSISDBHSA-N 440.496 2.625 0 40 IFAB COc1ccccc1N1CCN(C(=O)c2c[nH]c3c(c(C)nn3-c3ccccc3)c2=O)CC1 9316359 NKHGPJSICHNNJE-UHFFFAOYSA-N 443.507 2.993 0 40 IFAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl)CS2 9396675 NNEYIJLAWHTXKL-KBXCAEBGSA-N 431.341 2.649 0 40 IFAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCc2cccnc2)c1 9416625 SBAKFJMSHGNXEI-UHFFFAOYSA-N 439.493 2.974 0 40 IFAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 9478346 XVLDZCNVUKSJMJ-UHFFFAOYSA-N 430.511 2.988 0 40 IFAB COc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(Cl)cc4F)CC3)NC2=O)cc1 9526790 RNLQTUTZIGPQDZ-UHFFFAOYSA-N 444.894 2.837 0 40 IFAB COC(=O)NCCc1cc(OC)c(OC)cc1NC(=O)CCc1ccc2c(c1)OCO2 12418151 XVHSXGWZFWKUEI-UHFFFAOYSA-N 430.457 2.902 0 40 IFAB CCCCN(CCOc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12848087 FUXDLYOJSOJVPU-UHFFFAOYSA-N 438.528 2.861 0 40 IFAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccc4c(c1)OCCO4)(C3)C2 12852589 VWCZATWHQPPPPO-DGSWBCODSA-N 442.512 2.803 0 40 IFAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4cc(F)ccc4F)C3=O)n2)cc1OC 12938681 UEOMLGMOYGMRJV-NRFANRHFSA-N 444.394 2.999 0 40 IFAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13016641 JAJPNRMHAMOLCS-GOSISDBHSA-N 434.945 2.565 0 40 IFAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 13169842 ZEVAOLKSCFUISU-GASCZTMLSA-N 432.498 2.743 0 40 IFAB COc1ccc(Cn2nnnc2[C@@H](c2ccc(Cl)cc2)N2CCC(C(N)=O)CC2)cc1 13504974 BJJIVBRKVPAPJN-HXUWFJFHSA-N 440.935 2.670 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccn3)C2)cc1Cl 13567107 SRNREAUTDPLLSO-HNNXBMFYSA-N 437.949 2.851 0 40 IFAB O=C(COc1cccc(N2CCCC2=O)c1)NCC(=O)Nc1ccccc1Br 14186267 HSPHLKYVCHXOCT-UHFFFAOYSA-N 446.301 2.710 0 40 IFAB CN(Cc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1)S(C)(=O)=O 14401613 DXOMNWJZGUVSOE-UHFFFAOYSA-N 427.320 2.858 0 40 IFAB Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 15935450 UICVYJNIYHFFAO-WJOKGBTCSA-N 443.569 2.774 0 40 IFAB COc1ccc(N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C=CS(=O)(=O)C2)cc1 16953802 MEPVHHRFAYPHTR-INIZCTEOSA-N 433.482 2.679 0 40 IFAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 17098754 NRHQLQGERNBXFU-UHFFFAOYSA-N 434.326 2.776 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H](C1CCN(C(=O)[C@H]3CCCO3)CC1)C[C@@H]2C(F)(F)F 19530954 PTRXRZIQPYYPDO-ARFHVFGLSA-N 444.454 2.765 0 40 IFAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 19597846 FZZRQFMZYLNHOF-UHFFFAOYSA-N 435.977 2.838 0 40 IFAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)n1 19690072 BADQGTRWWPNCOI-SFHVURJKSA-N 438.919 2.934 0 40 IFAB Cc1cc(C)nc(N2CCO[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)n1 19702695 AXASMKATTCHGLC-QGZVFWFLSA-N 439.541 2.753 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CCc3cc(OC(C)C)no3)C2)nc2c1CCC(=O)N2C 19741615 PWHOEVJMDUFRLW-MRXNPFEDSA-N 441.532 2.808 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 19797440 CAPBLPUEMZEQJQ-UHFFFAOYSA-N 431.901 2.860 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(F)cc1 20328449 BOCRZCSYMIZTCU-IBGZPJMESA-N 432.473 2.779 0 40 IFAB CCCCn1c(SCC2=C(C(=O)OCC)CNC(=O)N2)nnc1-c1ccc(OC)cc1 21261084 JUOKTILXZJQJJY-UHFFFAOYSA-N 445.545 2.976 0 40 IFAB CCOc1ccc(CCCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 22373227 YJOFLJMQXCSXMS-UHFFFAOYSA-N 426.485 2.879 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@H](C)O[C@H](C)C1 22611952 DVAVRHCNAWYFNI-QWQRMKEZSA-N 430.376 2.973 0 40 IFAB Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc(-c3cccc(C(=O)O)c3)o1)CC(=O)N2 36367206 RKIYEQPGHNCKTO-CQSZACIVSA-N 431.408 2.696 0 40 IFAB CSc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c1 40478092 HQLJRHXSSJFWIR-UHFFFAOYSA-N 442.451 2.675 0 40 IFAB COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855580 CIEPDZYIMTZULZ-OXQOHEQNSA-N 446.525 2.641 0 40 IFAB CCOc1ccc([C@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 44948601 UVZUKBCSCZSGOC-HNNXBMFYSA-N 436.530 2.746 0 40 IFAB CCn1c(=O)c2ccccc2n2c(CNc3ccccc3CN3CCC(CO)CC3)nnc12 58281906 HRHQQMGPPMPKTP-UHFFFAOYSA-N 446.555 2.881 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204892 BRAUZWGWEHHWDU-NRFANRHFSA-N 442.466 2.568 0 40 IFAB COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1C(F)(F)F 69563296 NPNHNEGJEOHRPZ-PBHICJAKSA-N 441.450 2.964 0 40 IFAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(O)nc(N3C[C@H](C)O[C@@H](C)C3)nc2C1 72335571 QNUMIIOHSBFBEM-ULQDDVLXSA-N 440.544 2.761 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N3CCN(Cc4cnc5ccccn45)CC3)[nH]n2)c1 90609412 ZFRSXHNWODYIJU-UHFFFAOYSA-N 446.511 2.700 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 96231364 RQLZGPRGKSTWSN-KXBFYZLASA-N 429.546 2.863 0 40 IFAB O=C(c1ccc(F)cc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251342 KZDTVFJDMRGCMA-CYFREDJKSA-N 437.519 2.501 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1F 97943473 HNXBISKNAPMJQH-OAQYLSRUSA-N 449.486 2.595 0 40 IFAB COc1ccc(CN2C(=O)/C(=C\NCCCN3CCOCC3)c3ccccc3C2=O)cc1 101478874 YQNKLXGWTVATIN-QJOMJCCJSA-N 435.524 2.531 0 40 IFAB CCOc1ccc(OCC)c(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)c1 207982592 XLGMDAYHCZOSGA-UHFFFAOYSA-N 435.550 2.741 0 40 IFAB CN(CC(=O)NCCCN1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 219699650 HWGUGQLGAJWKPW-UHFFFAOYSA-N 435.977 2.920 0 40 IFAB COC(=O)c1cn(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c2ccccc12 222607984 AYVCFFSYRGLPGR-UHFFFAOYSA-N 443.525 2.998 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3cnc(O)c(Cl)c3)CC2)n[nH]c1=O 225549786 NWIIRPLTDGGQEK-UHFFFAOYSA-N 427.892 2.718 0 40 IFAB C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1ccccc1F)S(C)(=O)=O 225840499 GTHFUDRCFARDAA-KRWDZBQOSA-N 434.533 2.845 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 226074020 PSQWFJRTRQHFIW-UHFFFAOYSA-N 448.516 2.971 0 40 IFAB Cn1nccc1CNC[C@H]1CC[C@H](c2c(C(=O)NCCO)sc3ncccc32)CC1 257316417 VFMNIAHCUCOQBE-WKILWMFISA-N 427.574 2.816 0 40 IFAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 260834415 LVEKXYPZZVMFSF-CVEARBPZSA-N 448.541 2.807 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c(OC)c1 408666022 RZIPMUWTXRINDI-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB COc1cc(=O)n(C)cc1C(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585531771 FIAKWGFMYMHCQU-UHFFFAOYSA-N 425.407 2.739 0 40 IFAB O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(CC1CC1)CC2=O)NC1CC1 958317701 FTWJNSLBLBFLEN-SFTDATJTSA-N 437.584 2.981 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4ccccc4C)C[C@@H]23)n1 1549162077 NDAJJEKAUZFXND-LJQANCHMSA-N 436.516 2.801 0 40 IFAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 1653683574 DVCXPPWEHKHROR-VIFPVBQESA-N 437.831 2.516 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888908389 BJPXCQSPMZKCMO-OAHLLOKOSA-N 431.514 2.605 0 40 IFAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCC(N)=O)cc1)N(C[C@H]1CCCO1)C3=O 2440033 CZFMXNQNNJKXRZ-VGOFRKELSA-N 448.475 2.690 0 40 IFAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1 3068983 HIQPWCGALHNQIU-KBPBESRZSA-N 427.192 2.914 0 40 IFAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3497975 SGVAGWSOBHOUQV-UHFFFAOYSA-N 429.860 2.942 0 40 IFAB CC(=O)NCc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 8881852 IKJFBQMWVNDDMP-UHFFFAOYSA-N 446.887 2.847 0 40 IFAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1 9094906 LGSUMGHFUZQOPB-UHFFFAOYSA-N 444.557 2.564 0 40 IFAB CCCNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)c1 9124996 LIZAENKMYFYSKP-UHFFFAOYSA-N 431.466 2.847 0 40 IFAB COc1ccc([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1O 9302842 RBNCACYYDMZDCI-JOCHJYFZSA-N 433.464 2.540 0 40 IFAB O=S(=O)(c1cccc(CSc2nnc(Cc3ccccc3)o2)c1)N1CCOCC1 9376554 LUVACEDLVFIDCR-UHFFFAOYSA-N 431.539 2.974 0 40 IFAB O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)Nc1cccc(C(F)(F)F)c1 9412759 CITLXENAMMWQQH-UHFFFAOYSA-N 432.337 2.774 0 40 IFAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(c2ccc(O)cc2)CC1 9716948 WHBQFOPZWNDZDQ-UHFFFAOYSA-N 440.481 2.612 0 40 IFAB Nn1c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1C(F)(F)F 11239744 SVHYCUZWFNBNRK-NSHDSACASA-N 433.843 2.978 0 40 IFAB COc1ccc(C(=O)O[C@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C 11809491 ZCOQDXZIWRAMDU-QRWLVFNGSA-N 446.525 2.642 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@@H](C)c3nn(C)c(=O)c4ccccc34)nn2c(O)c1C 12154034 IWJLVXZXNYYCHJ-LIRRHRJNSA-N 446.511 2.766 0 40 IFAB COC(=O)c1ccc2c(=O)n(CCC(=O)NCc3cccc(OC)c3)c(=S)[nH]c2c1 12415887 VMRARDOYODDPDC-UHFFFAOYSA-N 427.482 2.561 0 40 IFAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 12537148 AGIKBWMRPPDKJT-IBGZPJMESA-N 449.429 2.770 0 40 IFAB C[C@@H](Sc1nnc(CCC(N)=O)n1C1CC1)C(=O)N1CCC(Cc2ccccc2)CC1 12999427 UBQFYEIVTHABHD-MRXNPFEDSA-N 441.601 2.993 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1 13085055 AOOGJKNDLFJIEL-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB COc1ccc(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)cc1Br 14803411 GKOCLSUZJNETRS-UHFFFAOYSA-N 435.274 2.729 0 40 IFAB COC(=O)Cc1sc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)nc1C 16699322 OMQYUEXGKLTTLD-UHFFFAOYSA-N 430.511 2.648 0 40 IFAB COCCCn1c(C)cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C 18083224 JPQRJENBCOSVGQ-UHFFFAOYSA-N 425.485 2.737 0 40 IFAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2nc(C)nc2C)cc(N(C)C)n1 19285776 NLILSVCCRZMFHT-HXUWFJFHSA-N 432.532 2.641 0 40 IFAB CCOc1ccc(CCC(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)cc1OCC 19519866 FOQOUFCKAUSLHO-UHFFFAOYSA-N 440.544 2.628 0 40 IFAB CCN1CCN(C(=O)c2nc[nH]n2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527697 FDWJITAPRVWENQ-SFHVURJKSA-N 433.512 2.644 0 40 IFAB CC1CCN(C(=O)CN2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19694981 DAWQUDBYFHHHMS-NRFANRHFSA-N 441.551 2.981 0 40 IFAB CC(=O)Nc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cnn1-c1ccccc1Cl 19908688 CNDGXWIBUPCEEO-UHFFFAOYSA-N 441.875 2.675 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccc(Cl)cc21 19934670 QQHISZBQUDNCNP-GOSISDBHSA-N 449.916 2.633 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2C[C@@H]1C 20449207 NNPMWHZPGYAGFM-KRWDZBQOSA-N 443.569 2.758 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1 23882092 ZVFDBSVMMHCGAE-DEOSSOPVSA-N 431.496 2.606 0 40 IFAB COC(=O)c1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc1C 27142056 BYQIMGTZGCOHFY-GQCTYLIASA-N 440.452 2.994 0 40 IFAB NC(=O)CN1C(=O)[C@]2(CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 32074762 HDXUGKTWPLTPDQ-JOCHJYFZSA-N 435.871 2.695 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3ccc(Cl)cc3c2=O)NC(=O)N[C@H]1c1ccccc1 32745377 HNWZSDWNLIFDRG-IBGZPJMESA-N 438.871 2.921 0 40 IFAB COc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3F)C2=O)cc(OC)c1OC 32828822 CNHJDUYTWHBSHP-JOCHJYFZSA-N 445.447 2.566 0 40 IFAB O=C(Nc1cccc(N2CCCC2=O)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 40052213 FOIMAVGVVQREIB-MOPGFXCFSA-N 427.501 2.734 0 40 IFAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(OC)c(OC)c1 44856886 JEGFZNXASLILQX-IIBYNOLFSA-N 448.541 2.807 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O 67226113 FWAMZOGVCZSXPM-ZDUSSCGKSA-N 441.513 2.515 0 40 IFAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1)c1ccco1 67870849 QSGBGSNKJGUTTI-CNNODRBYSA-N 426.536 2.681 0 40 IFAB biogenic,in-vitro Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nc(-c2cccnc2)no1 69895172 MTOGUPWGPFOHEP-CQSZACIVSA-N 448.936 2.785 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 71334352 JOPXRIOXPOCWPL-HSZRJFAPSA-N 441.487 2.964 0 40 IFAB C[C@@H]1CN(Cc2ccccc2NC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@H](C)O1 71941188 QTMIGRQWAODSSP-QZTJIDSGSA-N 426.517 2.879 0 40 IFAB CN1CCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)c4ccco4)C3)n2)CC1 72347982 CXUXBHXZSNKKMI-LJQANCHMSA-N 432.528 2.903 0 40 IFAB CCN(CC)CCOc1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1 89968992 RLSRWRUVFYXUIU-UHFFFAOYSA-N 448.589 2.778 0 40 IFAB Cc1nc2cc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)ccc2n1CCCN(C)C 96224009 QHOXZWGFLCNWDI-QFIPXVFZSA-N 432.532 2.705 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@H](NCC3CCN(Cc4cccs4)CC3)C2=O)cc1 100218641 ZTJHDDTUFVYKCV-FQEVSTJZSA-N 441.553 2.668 0 40 IFAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 101075962 HOZLIFOBQUNCMT-FPCVCCKLSA-N 430.302 2.778 0 40 IFAB Cc1ccc(N(CCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 113955623 ZHQWTGJJWOFWST-UHFFFAOYSA-N 444.601 2.932 0 40 IFAB O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 252346940 KQJNAGFUOFNHFR-FCBCXNLDSA-N 427.504 2.809 0 40 IFAB biogenic CC(C)N1CC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](/C=C\COc3ccccc3C1)C2 253407746 WSPCLCPLWMVQLQ-OPCATCLCSA-N 425.573 2.979 0 40 IFAB COc1cc(C)c(S(=O)(=O)N2CC[C@H](c3n[nH]cc3-c3ccnc(N)c3)C2)cc1C 257237341 HGAUYVUIZPUIBB-INIZCTEOSA-N 427.530 2.858 0 40 IFAB Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)NCc1cccnc1 257335021 YIJGXFYEBADQSD-FQEVSTJZSA-N 446.555 2.716 0 40 IFAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 303028171 WNIPPRGRVFMAPW-UHFFFAOYSA-N 428.341 2.621 0 40 IFAB COc1cccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)c1 408627342 ZKCROEZRRXPCAK-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3CC)CC2=O)cc1 408651347 DFUVHAJHQALANV-GOSISDBHSA-N 438.480 2.961 0 40 IFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1I 408817310 WAKLWRBULVDKTO-WDZFZDKYSA-N 433.223 2.509 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1 409317964 SXEHXSRPQQOFRJ-UHFFFAOYSA-N 426.878 2.540 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc4c(cc3F)N(C)S(=O)(=O)N4C)CC2=O)cc1C 575611000 CYMJHSOJSUZKDA-AWEZNQCLSA-N 446.504 2.565 0 40 IFAB O=C(c1cccc(F)c1)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643555578 BXYYSVXBMCWDNN-DEOSSOPVSA-N 426.488 2.959 0 40 IFAB COc1cnc(C(=O)N2CC[C@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)nc1 1614940725 VIKHPZRCPRXERQ-DEOSSOPVSA-N 431.496 2.578 0 40 IFAB CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)Cc1c(C)nc(O)nc1O 1625557582 FEJYSCQIFMYCAM-OAHLLOKOSA-N 438.322 2.655 0 40 IFAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)Nc3ccc(F)cc3)C2)n(-c2cccnc2)n1 2332241742 ZGJKRDRJQMAOPM-GDIGMMSISA-N 440.479 2.767 0 40 IFAB CC(C)(C)C(=O)N1CCC(c2nc(=O)c3nnn(Cc4cccc(Cl)c4)c3[nH]2)CC1 1352152 OFMNJXHZCISPGO-UHFFFAOYSA-N 428.924 2.968 0 40 IFAB Cn1c(=O)c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccccc2)n(C)c1=O 1414841 QONLDTIRHJGVNK-UHFFFAOYSA-N 428.496 2.618 0 40 IFAB COc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)cc1 5433851 NEOGJOGZBJBBOJ-RAUXBKROSA-N 438.509 2.590 0 40 IFAB biogenic,in-vitro CC[C@H](NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2)C(=O)O 8877430 NMURRYPNGNKUPN-HNNXBMFYSA-N 429.469 2.744 0 40 IFAB biogenic COC(=O)CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 9114012 VAJCKBNMBMKEOT-UHFFFAOYSA-N 444.431 2.680 0 40 IFAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9129922 HPWWBRBPLKJYHX-UHFFFAOYSA-N 431.539 2.876 0 40 IFAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1cc2[nH]c(=O)[nH]c2cc1Br 9245734 RKGADGFOOYEBLD-UHFFFAOYSA-N 429.230 2.896 0 40 IFAB COc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 9261483 HGNLVOJVBGEZFV-UHFFFAOYSA-N 428.470 2.832 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)CC1 9576743 YPEZIOXNMDXADZ-UHFFFAOYSA-N 449.454 2.974 0 40 IFAB COc1ccc(C[C@@H](NC(=O)CCN2C(=O)NC(C)(C)C2=O)c2ccc(OC)cc2)cc1 9645888 REJVQGITRWIAEN-HXUWFJFHSA-N 439.512 2.824 0 40 IFAB COC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1Cl 9695204 YRUHOSLZAZFKQJ-CPCISQLKSA-N 443.308 2.782 0 40 IFAB O=C(Cc1cs/c(=N\S(=O)(=O)c2ccc(F)cc2)[nH]1)/N=c1\[nH]c2ccccc2s1 9818196 OYFGLENCOQUCQX-UHFFFAOYSA-N 448.526 2.718 0 40 IFAB COc1ccc(C(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)cc1Br 11317075 FOFHVVPYOKYBDI-UHFFFAOYSA-N 427.272 2.901 0 40 IFAB COc1ccc(-c2ccc(=O)n(CCNC(=O)[C@H](C)Oc3ccccc3F)n2)cc1OC 11694469 RGGZAGAFKGFPKH-HNNXBMFYSA-N 441.459 2.650 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3-c3ccncc3)CC2)cc1 12115960 MODWOGBECXLTOH-UHFFFAOYSA-N 425.514 2.998 0 40 IFAB O=C(NC[C@H](O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 12408368 GGPOEESMRLVAST-NRFANRHFSA-N 428.485 2.768 0 40 IFAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2oc1=O 12488636 IPQBJNVBXOJJDD-UHFFFAOYSA-N 448.884 2.720 0 40 IFAB COc1cc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1OC 12506769 SMOPPHJSUJGHKL-GOSISDBHSA-N 429.864 2.965 0 40 IFAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 13018458 MXRPEOXKQOYRHF-KRWDZBQOSA-N 429.467 2.843 0 40 IFAB COc1cccc(N2CCN(C(=O)[C@@H](C)Sc3nc(Cl)nc4nc[nH]c34)CC2)c1 13570779 DYZGLQAAIHFSEL-GFCCVEGCSA-N 432.937 2.844 0 40 IFAB CC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716728 NOPIZPTZKNYWIK-SFHVURJKSA-N 444.557 2.677 0 40 IFAB COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 14226347 OZSKTAUQQWVXKV-NRFANRHFSA-N 449.866 2.988 0 40 IFAB COc1ccc(OC)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c1 15512810 GGTQYUUTLFSCBG-NSHDSACASA-N 432.951 2.917 0 40 IFAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)cc1 19209600 SZWTXHMMRZSUTI-HSZRJFAPSA-N 443.551 2.938 0 40 IFAB CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 19298070 GQJXNNTUXJXTCJ-IRXDYDNUSA-N 429.521 2.999 0 40 IFAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)Nc1ccccc1C(=O)NC1CC1 19535447 XVGWMFGDXYVDQM-UHFFFAOYSA-N 441.289 2.634 0 40 IFAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cn2cncn2)C1 19579216 MGYCDPHFTGAFMD-HSZRJFAPSA-N 437.569 2.946 0 40 IFAB Cc1ccccc1CSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 20061558 XTDDZXVEQAQEDE-UHFFFAOYSA-N 448.610 2.988 0 40 IFAB COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 20611471 HJECLTDIELNFIK-BINBFKAUSA-N 433.508 2.662 0 40 IFAB biogenic CC(C)NS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 21307326 WOPUMCIRLJSYFS-UHFFFAOYSA-N 430.526 2.966 0 40 IFAB CCC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1)C2=O 23673844 AFJLCNDEFFPNSN-AZQSGLJVSA-N 444.532 2.514 0 40 IFAB COC(=O)C[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccc(OC)c(OC)c1 24492163 QLZLHQKFZPWTAH-MRXNPFEDSA-N 426.473 2.637 0 40 IFAB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccccc1OCC(F)(F)F 24990442 VAWOCVAVTGMHAF-UHFFFAOYSA-N 427.770 2.662 0 40 IFAB Cc1cc([C@@H](C)NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)c(C)s1 26834095 JOBQDIYXKDGOMJ-CYBMUJFWSA-N 434.580 2.805 0 40 IFAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(Br)cc3C)C2=O)cc1 32736636 VJBQFJFAJPHBBP-UHFFFAOYSA-N 446.257 2.700 0 40 IFAB Cc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)n([C@H]2CCS(=O)(=O)C2)n1 32752840 PCMWYUDMCIIHKC-AWEZNQCLSA-N 439.921 2.547 0 40 IFAB Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1 32991020 STXPDPYAFAFEPZ-IOUPMSCVSA-N 445.566 2.602 0 40 IFAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCN(C(=O)OCC)CC1 35999887 QMWZRHKBCAYKNN-ZDUSSCGKSA-N 434.468 2.585 0 40 IFAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 36358441 AMHDWJMJAROPGY-FQEVSTJZSA-N 426.538 2.754 0 40 IFAB CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614466 AMFREDQYSCLJRT-UHFFFAOYSA-N 441.351 2.613 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2sc(N(Cc3ccccc3)C(C)=O)nc2C)CC1 44902059 YMVUAPLOSCKECH-UHFFFAOYSA-N 430.530 2.919 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2F)c(=O)c2c(NC(=O)c3cnccn3)scc12 48984961 OXOAUSLUGGCXRF-UHFFFAOYSA-N 439.428 2.805 0 40 IFAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCN(c3ncccn3)CC2)c1 58176660 UHRSKIZOYHHTHG-UHFFFAOYSA-N 430.512 2.798 0 40 IFAB Cc1cc(S(=O)(=O)Nc2cccc(I)c2)ccc1OCC(=O)O 63476326 OCZKARJOLJGINK-UHFFFAOYSA-N 447.250 2.864 0 40 IFAB Cc1cc2nn(CC(=O)Nc3nccs3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 67239692 QFIPPEDVZNUJHC-UHFFFAOYSA-N 434.403 2.980 0 40 IFAB Cc1ccc(N2CCC(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nn1 70922877 RKAQSUDRPHCEHI-UHFFFAOYSA-N 430.452 2.879 0 40 IFAB Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)c4cnccn4)C3)on2)cc1 72396003 JCPMAXYOOUINOA-DEOSSOPVSA-N 433.512 2.993 0 40 IFAB CC(C)CCN1[C@H]2CCN(C(=O)c3cn[nH]c3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96263937 MHXFLHZEDXGCNR-ROUUACIJSA-N 432.546 2.512 0 40 IFAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccco2)cc1Cl 96347329 WPPUCUOABNANMM-UHFFFAOYSA-N 439.859 2.657 0 40 IFAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 100262104 MEQUQAJVQWRJRK-SMTRIPRVSA-N 447.443 2.619 0 40 IFAB COc1ccc(N2C(=O)NC(=O)/C(=C(/NCCN3CCCCC3)c3ccccc3)C2=O)cc1 101355022 NDRJJOJDXVCWCS-DQRAZIAOSA-N 448.523 2.765 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)cc(Cl)c1 102129777 SWMCYBFPVVOCCC-GASCZTMLSA-N 425.268 2.816 0 40 IFAB Cc1nc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Cl)cc1Cl 103333755 QUEFMKBLBYENJA-QJPTWQEYSA-N 442.299 2.742 0 40 IFAB COc1ccc(CNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 113935635 LJSFEDBHKKSKHN-UHFFFAOYSA-N 441.347 2.849 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1c(F)cccc1F 223687224 YZGTWJPWBXLTSZ-UHFFFAOYSA-N 440.468 2.566 0 40 IFAB CCc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)cc1 224769406 LYYRGUWXFKTKLQ-UHFFFAOYSA-N 429.586 2.927 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)s2)cc1 225044927 QOTUYHOTKTUKSS-UHFFFAOYSA-N 446.510 2.647 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc21 225050583 FYXDMUHNPCCJOZ-UHFFFAOYSA-N 445.566 2.781 0 40 IFAB COc1ccc(S(=O)(=O)NCC2(c3ccc([C@@H](C)O)s3)CCCC2)cc1C(N)=O 225684766 UYQLLOJCLFOKKY-CYBMUJFWSA-N 438.571 2.699 0 40 IFAB O=c1[nH]c2ccccc2c(=O)n1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 225759992 LITCVRIWIGKATC-UHFFFAOYSA-N 437.880 2.508 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(F)cc3)C2)c1 260749523 VYDCHWUEDDVDRR-HNNXBMFYSA-N 436.505 2.907 0 40 IFAB COc1cc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)c2ccccc2n1 561756712 OYGZGWUFKLEWIY-UHFFFAOYSA-N 440.521 2.883 0 40 IFAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1ccc(N2CCCCS2(=O)=O)cc1 575611892 ZXAAFZBGUXSGGT-UHFFFAOYSA-N 436.511 2.948 0 40 IFAB Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)cc1 585285058 VQJCHZHNEOKSFV-SANMLTNESA-N 440.584 2.777 0 40 IFAB COc1ccccc1CC(=O)N1CCC(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 592513000 GTVSKUBLDRJKAK-LJQANCHMSA-N 425.533 2.889 0 40 IFAB CN(C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1)S(=O)(=O)Cc1cccc(Cl)c1 1565523221 JNHVVCXITMXVIG-UHFFFAOYSA-N 448.980 2.726 0 40 IFAB COc1ccccc1C(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335012 YNNQAENLXSDTPM-KRWDZBQOSA-N 444.495 2.591 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 2481299 CONHQVGVVDODRU-INIZCTEOSA-N 435.509 2.509 0 40 IFAB CCOC(=O)c1sc2nc(COC(=O)c3cc(OC)cc(OC)c3)[nH]c(=O)c2c1C 3271310 XDJHNSDLYRHVKS-UHFFFAOYSA-N 432.454 2.844 0 40 IFAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C[C@H]1CCCO1)C(=O)C(=O)NC1CCCC1 4895601 SAUWOMUTCULRKA-UXHICEINSA-N 429.561 2.709 0 40 IFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1ccc(Cl)cc1Cl 8780325 BEPHKSQGWPJAHR-LBPRGKRZSA-N 442.368 2.751 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9283222 JFCPYSRGDWCYPX-OAHLLOKOSA-N 436.917 2.694 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCc3cc(=O)oc4cc(O)ccc34)CC2=O)c(OC)c1 9639763 NYQAVKHKHRJXJU-CYBMUJFWSA-N 439.420 2.612 0 40 IFAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9712061 FRCLZEBZBHXMPL-UHFFFAOYSA-N 425.510 2.938 0 40 IFAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(CC)cc3)n2)cc1 9844758 ZMPAUSNVXSVLKB-UHFFFAOYSA-N 427.526 2.850 0 40 IFAB Cc1ccc(NC(=O)Cc2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cs2)cc1 9908826 KXWZEUPJBKPFBS-UHFFFAOYSA-N 426.498 2.866 0 40 IFAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc2c(c1)OCO2 10021817 HKPIGKUAPTXZBK-UHFFFAOYSA-N 442.493 2.925 0 40 IFAB COC(=O)c1ccccc1NC(=O)Cn1ncn2nc(-c3ccc(C)c(C)c3)cc2c1=O 11666416 NINHMVOYQKFMMA-UHFFFAOYSA-N 431.452 2.600 0 40 IFAB COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 11915046 QHVRYVSXQMBZFF-UHFFFAOYSA-N 443.481 2.623 0 40 IFAB CC(C)Oc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1 12071540 QGQCCUIHDXGXCO-UHFFFAOYSA-N 449.486 2.998 0 40 IFAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 12140130 XRHPMDUTFTZCNW-UHFFFAOYSA-N 449.488 2.643 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4nc(C)cs4)CC3)CC2=O)cc1 12391780 HNGBNDXDBYCFJD-MRXNPFEDSA-N 442.541 2.690 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1 12553943 IUCPZVIFPIQHFF-UHFFFAOYSA-N 442.585 2.540 0 40 IFAB COc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(OC)c1 12555757 SKVUHPJNAMVNPL-JOCHJYFZSA-N 439.512 2.922 0 40 IFAB CCOc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 12662061 DOLWFAQJRSQZTQ-AOMKIAJQSA-N 440.452 2.901 0 40 IFAB biogenic Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NC2CCCC2)c1 12701334 ORAXWDJOPKGYPJ-ZDUSSCGKSA-N 429.546 2.535 0 40 IFAB Cc1nnc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 12803234 PLYNQXPKYSCXTO-UHFFFAOYSA-N 444.582 2.948 0 40 IFAB COc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 12815704 CKFDQUUKBKQQKL-UHFFFAOYSA-N 432.420 2.982 0 40 IFAB CCc1cccc(CC)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 13042239 GGUXWQNJJZSCDS-UHFFFAOYSA-N 445.585 2.765 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC[C@@H]1CCCO1 13567052 YNPQHPNNUSWJEK-IBGZPJMESA-N 444.553 2.811 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccccc1F)n2C 14789615 BBRUWSVVPUUPDG-UHFFFAOYSA-N 446.548 2.992 0 40 IFAB COc1ccc(CN2C(=O)[C@@H]3[C@@H](C(C)C)N[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1 15957075 YRMOPAGMKRTMFB-JJEXOMBSSA-N 447.535 2.889 0 40 IFAB biogenic CCCn1ncc(C)c1NC(=O)CN1CC2(CCOCC2)Oc2ccc(C)cc2C1=O 19525916 KGJGHNOZLYRKBU-UHFFFAOYSA-N 426.517 2.932 0 40 IFAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 22228700 KQJBDBKMEWXQHK-UHFFFAOYSA-N 443.569 2.775 0 40 IFAB CCCOc1ccc(N(CC(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)cc1 22392079 PEETXEKDMHOGSH-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 23883770 USKDSEPSXFSQII-MRXNPFEDSA-N 448.556 2.752 0 40 IFAB O=C(c1cccs1)c1ccccc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24776996 UIEXVYADFJQFCU-UHFFFAOYSA-N 444.520 2.917 0 40 IFAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 32843034 WGHDEEWAECJISX-QHCPKHFHSA-N 432.524 2.636 0 40 IFAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)c1ccccc1 32843440 DOPGNSDRLDKRBY-GOSISDBHSA-N 427.302 2.818 0 40 IFAB COc1cc(OC)cc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)c1 33309740 ZAFAFFPKGNJOQD-UHFFFAOYSA-N 448.435 2.949 0 40 IFAB COc1cc(-c2nc3s/c(=C/C4=Cc5ccccc5OC4)c(=O)n3n2)cc(OC)c1OC 34891169 NYKSYFDEPMCZDC-DJKKODMXSA-N 449.488 2.819 0 40 IFAB Cc1ccc(CN2C[C@H](C(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)CC2=O)cc1 40081460 QIUQNOZTESHRCK-JWQCQUIFSA-N 448.611 2.839 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1 41157315 XEQGSKCIDKSXGV-UXHICEINSA-N 428.554 2.747 0 40 IFAB Cn1nnnc1-c1cccc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 48261586 WSNWBRJTSGVMKI-UHFFFAOYSA-N 433.303 2.933 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 57478466 YUUAGGQOQJJZFL-QHCPKHFHSA-N 449.555 2.637 0 40 IFAB CNc1cc([C@@H]2CCCN(C(=O)Cc3cc(C)ccc3OC)C2)nc(CN(C)C(C)=O)n1 72370146 UBKZRANAERLLKK-GOSISDBHSA-N 439.560 2.762 0 40 IFAB O=C(Cn1ncc2c(c1=O)CCCC2)NCCn1ccc2ccc(Br)cc21 72400853 NFJVNAADASFSPK-UHFFFAOYSA-N 429.318 2.656 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 89914321 GTHBBDNETIZNGN-RUZDIDTESA-N 447.491 2.940 0 40 IFAB Cc1nc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccn23)cn1Cc1cccnc1 96154954 AUYFARGADYIUAF-UHFFFAOYSA-N 444.539 2.617 0 40 IFAB CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn23)CC1 96156033 WFCACBUPLYOQNL-UHFFFAOYSA-N 434.544 2.547 0 40 IFAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(OC)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219111910 QMWKZOIULLNQJD-QRWLVFNGSA-N 438.521 2.963 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220240924 FCPKDHMUQGELJA-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB O=C(Cn1cc(I)cn1)NCCCn1ncc2c(Cl)cccc21 223438890 ACVDFBIWJVWLOB-UHFFFAOYSA-N 443.676 2.697 0 40 IFAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccccc1)S(C)(=O)=O 224011232 PMWAFANHKNZBJZ-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCCN1CCc2ccccc21)Cc1ccccc1Cl 225121393 HRBYQBAQAWGMBV-UHFFFAOYSA-N 435.977 2.671 0 40 IFAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc4c3OCO4)CC2)c(C)c1 257213603 CIHFANBYZUBLGJ-RUZDIDTESA-N 440.540 2.944 0 40 IFAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)c4ccccc4)C3)nc2n(Cc2ccccc2)c1=O 257226028 FIVAMJOUWZKLNS-HXUWFJFHSA-N 440.503 2.773 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)C2CCCCC2)cc1 408636674 SNZQLRZVQOYCDR-UHFFFAOYSA-N 437.606 2.573 0 40 IFAB COc1cc2c(cc1OC)[C@H](NC(=O)CCN1C(=O)C[C@](C)(c3ccccc3)C1=O)CC2 524733828 STLLMGUWLRXQDC-KBMIEXCESA-N 436.508 2.914 0 40 IFAB COC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)c1ccccc1F 610894301 QAOBOLORMCCBLV-UXHICEINSA-N 429.423 2.524 0 40 IFAB COc1ccc2nc(C)c(C(=O)N3CCC[C@@H](CC(=O)NCCn4ccnc4)C3)cc2c1 1848353550 WWTAMLHCUNQXFC-SFHVURJKSA-N 435.528 2.807 0 40 IFAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)s2)cn1 1889237067 CPXCOJOHQPROAL-UHFFFAOYSA-N 442.566 2.505 0 40 IFAB COc1cccc(NC(=O)N2C[C@H]3CN(c4cc(-n5nc(C)cc5C)ncn4)C[C@@H]3C2)c1 2086896818 JKQFIHMOTIEBSH-QZTJIDSGSA-N 433.516 2.888 0 40 IFAB CCOc1ccc(-c2nnn(CC(=O)Nc3ccc(OC)cc3OC)n2)cc1OCC 932009 XBZZBXLLDUJMRQ-UHFFFAOYSA-N 427.461 2.793 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1ccc(F)cc1 2635594 NUZOALYRYOWKNI-UHFFFAOYSA-N 439.420 2.998 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)cc1 3343007 XUYIGUFLXUXQTJ-UHFFFAOYSA-N 446.573 2.535 0 40 IFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3cccs3)ccc21 8763799 JPMCNSSQEDLHBE-UHFFFAOYSA-N 441.534 2.970 0 40 IFAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl 8825365 URJCVOIWEDHZIW-UHFFFAOYSA-N 445.324 2.881 0 40 IFAB COc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc(OC)c1OC 8845259 LVDBJIFFSMVBQG-NRFANRHFSA-N 439.468 2.654 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCCCCC1 9191378 HFFXSJWQLKQJRS-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB COc1ccc(-c2noc(CN(c3ccc4c(c3)OCCCO4)S(C)(=O)=O)n2)cc1 9409652 NBSJAITZZFHAHJ-UHFFFAOYSA-N 431.470 2.873 0 40 IFAB NC(=O)c1ccc(-c2nnn(CC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)n2)cc1 9580307 FAERCWMRTIFBSH-IBGZPJMESA-N 436.472 2.545 0 40 IFAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(c2nc3ccccc3s2)CC1 9724370 SPKMIQJRPBJIEN-UHFFFAOYSA-N 448.570 2.976 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccccc4)=N3)C2=O)cc1 11182741 MCKIAEXQGVSJDJ-XMMPIXPASA-N 434.496 2.575 0 40 IFAB COc1cc(C(=O)NC2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc(OC)c1OC 12644593 BPSKNEBUBBKMJO-QFBILLFUSA-N 447.576 2.602 0 40 IFAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 12661764 MMJWYJANUZFJAW-BTYIYWSLSA-N 426.425 2.511 0 40 IFAB biogenic COc1ccc2[nH]cc(CCNC(=O)COc3ccc4nc5n(c(=O)c4c3)CCC5)c2c1 12899346 YMIZOLDSYLGSMB-UHFFFAOYSA-N 432.480 2.570 0 40 IFAB biogenic C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 16047174 BCQWUYCSUSKCOC-YVEFUNNKSA-N 436.434 2.820 0 40 IFAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc(=O)[nH]c2ccccc12 16049029 PWMNDOVMJABUFI-UHFFFAOYSA-N 426.226 2.656 0 40 IFAB CCCCCCS(=O)(=O)CCOC[C@@H](CS(=O)(=O)CCCCCC)OC(C)=O 16638344 LGRAJBZLDRHPSX-IBGZPJMESA-N 442.640 2.925 0 40 IFAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1Cl 16737661 BGKOKDSUUWOIFA-UHFFFAOYSA-N 448.416 2.929 0 40 IFAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(F)c2)c1 16960680 RJXFSESNMLYCJL-UHFFFAOYSA-N 439.472 2.675 0 40 IFAB COc1cccc([C@@]2(C)NC(=O)N(NC(=S)NCCSc3ccccc3)C2=O)c1 18144176 CWAQCGAYPOLEIX-HXUWFJFHSA-N 430.555 2.634 0 40 IFAB Cc1cn(CC(=O)N2CC[C@@](Cc3ccc(-c4ccsc4)cc3)(C(=O)N(C)C)C2)nn1 19238738 SGMKAQVNNKANOU-QHCPKHFHSA-N 437.569 2.865 0 40 IFAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)n1 19285827 MDORKMJVMPHYQD-CQSZACIVSA-N 440.573 2.824 0 40 IFAB C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459055 FTQUUPWIGVPNNY-NQIIRXRSSA-N 443.551 2.843 0 40 IFAB COc1cccc(-c2nccnc2[C@H]2CN(C(=O)c3cnc(N(C)C)nc3C)CCO2)c1 19693455 DCNJFVXVRWNUDG-LJQANCHMSA-N 434.500 2.530 0 40 IFAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 19706287 HAINPHPMEWYXEG-QFIPXVFZSA-N 435.572 2.970 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(C)CCC4)C2)c(C)n1 19706976 MCFWHKIFHRCJTF-KRWDZBQOSA-N 432.594 2.651 0 40 IFAB CC(C)(CNC(=O)c1cccn(CC(=O)Nc2nccs2)c1=O)c1ccccc1F 19751414 SURQIFPMLRKULB-UHFFFAOYSA-N 428.489 2.790 0 40 IFAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCC[C@@H]1c1ncc(C(=O)N(C)C)c(C)n1 19756040 WCYIHVDVHFYYHZ-QGZVFWFLSA-N 432.546 2.638 0 40 IFAB CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1 20014664 RDMCQYNLMBQSJQ-UHFFFAOYSA-N 429.311 2.915 0 40 IFAB CC(C)CN(C(=O)COC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 21121146 DQSQJCGHKQIZPI-GOSISDBHSA-N 439.574 2.578 0 40 IFAB Cc1cc(C)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 22227568 LJLVLNHMHORYEH-UHFFFAOYSA-N 436.599 2.917 0 40 IFAB COc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 23011324 PTNMVROLTYZGIS-UHFFFAOYSA-N 448.317 2.981 0 40 IFAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CCOc3ccc(Cl)cc3)C2=O)cc1 23763549 DFANGHRMADGPKJ-QFIPXVFZSA-N 429.904 2.953 0 40 IFAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(C)CC3)nn1-c1ccc(F)cc1)C2 31810747 OROQGSHOYRSNHI-UHFFFAOYSA-N 436.487 2.987 0 40 IFAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(OC)ccc2OC)cc1 32639735 FNYCABQCKZBDCV-HKUYNNGSSA-N 448.566 2.987 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 32845853 XMCLIWSVFANZBV-UHFFFAOYSA-N 430.526 2.580 0 40 IFAB CCOc1ccc(NC(=O)[C@H](C)OC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1 39996301 NWPGTCFWKGULJL-ZDUSSCGKSA-N 429.404 2.612 0 40 IFAB COc1cc(CCC2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc(OC)c1 40039962 UCIKUWQTZDZGMB-CALCHBBNSA-N 426.579 2.702 0 40 IFAB CCc1nn2c(nnc3c(=O)n(NC(=O)COc4ccccc4)ccc32)c1-c1ccccc1 40390802 JBJQORBHXMYVTP-UHFFFAOYSA-N 440.463 2.818 0 40 IFAB COc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 43771029 AMWHYKILXPFEQK-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1N1CCCC1=O 44903648 QOOBRPAHBPUJLS-UHFFFAOYSA-N 429.498 2.750 0 40 IFAB O=C(NCc1cccnc1-n1cncn1)N[C@@H](CN1CCCCCC1=O)c1ccccc1 58163146 MACFVKSLFKVMOY-FQEVSTJZSA-N 433.516 2.605 0 40 IFAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC(CCN3CCOCC3)CC2)CC1 64333773 NCGINRPOVKSRRE-UHFFFAOYSA-N 428.577 2.891 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768275 NPKMCPCKLAPKLI-UHFFFAOYSA-N 430.424 2.853 0 40 IFAB CCS(=O)(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)C2 72371837 JNVUVNMZTIBBSA-SFHVURJKSA-N 432.521 2.890 0 40 IFAB Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](CC(C)C)N2CCC(C(=N)O)CC2)cc1 82055966 COKDJFDAWJGRRJ-GOSISDBHSA-N 434.566 2.747 0 40 IFAB Cc1cc(NC(=O)CN2CCN(C[C@@H](O)COc3ccc(C(C)(C)C)cc3C)CC2)no1 96837093 NFDAAKKBKSNIIX-HXUWFJFHSA-N 444.576 2.585 0 40 IFAB O=C(C1[C@H]2CCCC[C@H]12)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)C1 100239302 SZOITKIURBBZOI-QYZOEREBSA-N 433.556 2.888 0 40 IFAB CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CCC1)CC3 100243259 QOTKPIGZVMVRQD-LJQANCHMSA-N 425.533 2.973 0 40 IFAB CC(=O)O[C@H]1CC[C@@]23[C@@H](O)O[C@@]4(CC[C@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119177603 XLUGVKZDVVAUBL-OHLPKJLQSA-N 446.540 2.626 0 40 IFAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)ccc12 208174054 BUCJKBMIQIMZCO-FUHWJXTLSA-N 434.492 2.850 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 222802540 SNONSVQKLVSBLY-MRXNPFEDSA-N 431.492 2.972 0 40 IFAB CC1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 225548123 WZHJEHMHJHRBKC-GOSISDBHSA-N 442.025 2.979 0 40 IFAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2 260926486 IWXZBGJLHVLJLI-OAHLLOKOSA-N 430.526 2.938 0 40 IFAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 501896036 DVWKYAKXVYMTGN-ZHRRBRCNSA-N 445.922 2.899 0 40 IFAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(COc2ccc(C3CC3)nn2)CC1 1775965830 LJZBASJSVVLWBZ-UHFFFAOYSA-N 431.514 2.605 0 40 IFAB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928929 HTCYOGSSKDNRRZ-CYBMUJFWSA-N 433.921 2.745 0 40 IFAB COC(=O)c1c(NC(=O)c2ccc(Cl)c(N)c2)sc(C(=O)N2CCOCC2)c1C 1223006 HCHGJTYVUXUPGV-UHFFFAOYSA-N 437.905 2.803 0 40 IFAB COC(=O)C[C@@H]1CN=N[C@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 6879002 FFNWZUULGQZUMN-GCJKJVERSA-N 425.441 2.998 0 40 IFAB COCCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(NC(C)=O)ccc21 8598861 XAXLWFBCWOMDRI-LNVKXUELSA-N 427.482 2.820 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8634760 WTOHZUGCYVUDBQ-QGZVFWFLSA-N 437.681 2.903 0 40 IFAB COc1ccc(C(=O)/N=c2\sn(-c3ccc(OC)cc3)nc2C(=O)N2CCCC2)cc1 8770519 YCIREPVDGLAHGW-LNVKXUELSA-N 438.509 2.928 0 40 IFAB CN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccc(OC(F)(F)F)cc1 9125141 CIIMXDXTGZQDEL-UHFFFAOYSA-N 430.427 2.614 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCC1 9226367 FTGSNPWECVWPCU-UHFFFAOYSA-N 432.498 2.529 0 40 IFAB Cc1ccc(C)c(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 9336620 UWINIMMEUMADCJ-UHFFFAOYSA-N 427.530 2.867 0 40 IFAB C[C@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2NC1=O 9604280 GDVDVTYDNFMOOB-CYBMUJFWSA-N 441.465 2.730 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 9740999 SKTMTDYBTYZVEK-IBGZPJMESA-N 439.486 2.921 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 9910190 ZFCZDKYKKDGPHC-QGZVFWFLSA-N 433.574 2.899 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2)cc1C 10301534 BGXWJAQTTMQFDP-HXUWFJFHSA-N 446.569 2.880 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 10541873 YXEWFOYQCXBWNA-UHFFFAOYSA-N 430.526 2.602 0 40 IFAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc(CC3CCCC3)n[nH]1)n2CC 11886276 YQXGPNNEEJEJPJ-UHFFFAOYSA-N 431.566 2.849 0 40 IFAB Cc1nn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2cc3ccsc3n12 12088502 OUZKIERRKHNLPM-UHFFFAOYSA-N 425.489 2.507 0 40 IFAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 12847874 OWVZBPRUYHXNEE-UHFFFAOYSA-N 431.539 2.930 0 40 IFAB CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 12925578 KQMFSHFSHBZWTF-UHFFFAOYSA-N 447.523 2.707 0 40 IFAB CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 13128910 BIABIPPBCLOLIB-UHFFFAOYSA-N 448.516 2.720 0 40 IFAB CC1(C)C(=O)NCCN1C(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1 13561686 ORYOBMBYAJQVPM-UHFFFAOYSA-N 436.541 2.522 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 13573931 TXSNURJJZQCODF-UHFFFAOYSA-N 448.884 2.720 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)OCCO2 14375040 IJPRAWCFQMDBSU-UHFFFAOYSA-N 432.498 2.893 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(OC)cc4)nn32)cc1 14607347 YVKPTTBCGFLQAG-QGZVFWFLSA-N 435.440 2.652 0 40 IFAB CC(C)(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)C4CCC4)nn3c2O)C1 19081550 YEGIKPSMSNOURW-SFHVURJKSA-N 425.533 2.829 0 40 IFAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)CC1 19085324 XBQXHRDVZJURJP-IBGZPJMESA-N 437.544 2.959 0 40 IFAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19404875 BMPKCGIIGUZWPE-NRFANRHFSA-N 449.555 2.997 0 40 IFAB CN1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)n2)CC1 19588198 CAGUAYPOZJMGQR-GOSISDBHSA-N 438.528 2.669 0 40 IFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3cccc4cccnc34)nc21 19697953 MVZWHHBHBZUBOB-UHFFFAOYSA-N 433.512 2.921 0 40 IFAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cnn(C)c4C)nc32)c1 19698677 JVYBORIRLBSLAU-UHFFFAOYSA-N 448.527 2.587 0 40 IFAB Cc1nc([C@@]2(O)CCCN(C(=O)CN(C)C)CC2)sc1CCOc1ccccc1F 19705453 TWGQWGZNIJRTPZ-JOCHJYFZSA-N 435.565 2.974 0 40 IFAB Cc1nn2c([C@H]3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)ccnc2c1Cn1cncn1 19707645 BACOCEXWQROLRE-INIZCTEOSA-N 444.474 2.928 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1C 20112062 PNNSLKDOZPQXRZ-UHFFFAOYSA-N 448.526 2.704 0 40 IFAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)n1c(=O)oc2ccccc21 21970021 KOEYSDUUGSCKKP-AWEZNQCLSA-N 441.465 2.866 0 40 IFAB COc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)S(C)(=O)=O)c1 22332374 DCEKTFKGLZYGMR-IBGZPJMESA-N 448.541 2.888 0 40 IFAB COc1cccc(N2CCN(C(=O)[C@@H]3C(=O)N(C)[C@@]4(C)C[C@@H]3c3ccccc3O4)CC2)c1 23140159 UWDNVDPAGAVDFS-JLRUASKGSA-N 435.524 2.715 0 40 IFAB CC(C)(C)c1csc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 23144981 AAUKJLBAIMQPCV-UHFFFAOYSA-N 437.587 2.718 0 40 IFAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CC(=O)N2CCN(C)CC2)cc1 23994833 QFCZZUDXVJGBDB-UHFFFAOYSA-N 445.567 2.753 0 40 IFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 30031754 HUVAEWIGQFXHEL-UHFFFAOYSA-N 425.514 2.887 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 35092927 MFKHXFHMYVBDGS-TXPKVOOTSA-N 440.374 2.513 0 40 IFAB Cc1cc(C(=O)N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)CC2)on1 40122782 PFYGOHQYSYHWOS-UHFFFAOYSA-N 428.489 2.606 0 40 IFAB CC(C)(C)n1ncc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1=O 48302636 NAQFVJTUPABKCH-UHFFFAOYSA-N 445.372 2.816 0 40 IFAB O=C(CCc1nc(-c2cc3ccccc3[nH]c2=O)no1)N1CCN(Cc2ccccc2)CC1 64790028 WZDNCAOGJJLPHM-UHFFFAOYSA-N 443.507 2.855 0 40 IFAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2cnc(C)cn2)nc1C 72345393 UWHTWMLTEGHAFP-HXUWFJFHSA-N 446.511 2.799 0 40 IFAB CCOC(=O)CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 78958461 SNJFZDUXZJIODX-UHFFFAOYSA-N 435.883 2.946 0 40 IFAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NC1CCCCC1 95544087 ZQEHASFNXQUURA-UHFFFAOYSA-N 425.529 2.790 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NCc3nn(C4CCCC4)c4c3CCCC4)cc21 96099259 UVUJDYYZZCVSJB-UHFFFAOYSA-N 430.530 2.800 0 40 IFAB COc1cccc2c1OC(=O)[C@H]1[C@H](C(=O)O)[C@H]3C[C@H]1[C@@H]1[C@@H]2c2sc(=O)[nH]c2S[C@H]31 101998805 LETQKJKEXLWDSX-ITBVHJJZSA-N 431.491 2.553 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1CC(F)(F)F 102777567 FANJOBLIHUQNIK-RRFJBIMHSA-N 440.418 2.733 0 40 IFAB Cc1ccc(CNC(=O)CSC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 113482204 BCDZZOXJYHVSSS-QZTJIDSGSA-N 427.595 2.910 0 40 IFAB CCNS(=O)(=O)c1cc(C(=O)N2CCc3cc(Br)ccc32)ccc1OC 222912301 KBVNVDDTUSXKFZ-UHFFFAOYSA-N 439.331 2.959 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1N1C(=O)CCC1=O 223027847 UYUCHVGCAURORY-UHFFFAOYSA-N 439.287 2.912 0 40 IFAB COc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 224275849 XCKTXCMXEOGSFH-UHFFFAOYSA-N 425.514 2.613 0 40 IFAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(F)c1 225118770 DYJVZIKXYRGGGT-UHFFFAOYSA-N 427.450 2.853 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccc(C)c(C)c1 225178570 UHQAIRNZDNWOHP-UHFFFAOYSA-N 434.558 2.690 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 225388848 QNVSHGYTAANGSK-UHFFFAOYSA-N 430.570 2.934 0 40 IFAB Cc1ccccc1CSCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225559235 HGWLHPDGJLVKQF-UHFFFAOYSA-N 434.583 2.679 0 40 IFAB CN1CCN(c2ccc(N)cc2NC(=O)c2ccccc2I)CC1 226258788 MDKYLKKWHUFRKM-UHFFFAOYSA-N 436.297 2.878 0 40 IFAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CC(=O)NCc2ccco2)C1=O 409214686 ZVLATAVARQLQSR-IUXPMGMMSA-N 432.454 2.658 0 40 IFAB Cc1nc2ccccn2c1CNC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1221500510 BXGZIUBRKOYKCC-IAGOWNOFSA-N 435.528 2.892 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2COC2)C12CCN(C(=O)C(C)(C)C)CC2 1549174382 ATKPIEPPOKCGLX-FQEVSTJZSA-N 441.572 2.557 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccccc1)n1cccc1)[C@@H](C(N)=O)C2 1565519099 PFOZNEFRNOVDLO-RTWAWAEBSA-N 433.508 2.728 0 40 IFAB biogenic COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(OC)c2)C1=O 2104968 PJBBSBPTBKLNPE-URXFXBBRSA-N 433.508 2.898 0 40 IFAB biogenic Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 2889314 NBFOIWUHSGFVNS-NSHDSACASA-N 435.571 2.506 0 40 IFAB O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(Cl)cc1Cl 3259210 XUUXFAOHBUWLIQ-UHFFFAOYSA-N 436.251 2.947 0 40 IFAB O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1 4004842 IGDCKRNSWXEZDI-UHFFFAOYSA-N 440.503 2.701 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 6142765 IYAZMFOEKBYHFM-YWZLYKJASA-N 442.603 2.854 0 40 IFAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 9124216 GIQODXJORRRNNL-UHFFFAOYSA-N 437.887 2.759 0 40 IFAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)cc1 9126876 PQNJXBPFJROVCV-UHFFFAOYSA-N 430.404 2.941 0 40 IFAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9184095 XMTWSZZUXFWIRN-HNNXBMFYSA-N 448.545 2.590 0 40 IFAB COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 9262961 BIKWEUIBGKCVDR-AWEZNQCLSA-N 431.562 2.856 0 40 IFAB Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 9365236 QHTWILIHFHUDJE-UHFFFAOYSA-N 428.448 2.991 0 40 IFAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 9445452 ZLXDMUGQRUICDU-UHFFFAOYSA-N 429.498 2.633 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 9452150 OCXWVYMCAVPLDJ-ZJBJCVSYSA-N 435.524 2.747 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 9455266 SFJCKSRFXYHMNM-UHFFFAOYSA-N 438.553 2.996 0 40 IFAB COc1ccc(CCN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 9646182 GETQJOZLTFDABP-UHFFFAOYSA-N 432.542 2.803 0 40 IFAB Cc1sc2nc([C@@H](C)OC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)[nH]c(=O)c2c1C 9683917 ZORBUBSEFYACKL-GFCCVEGCSA-N 446.529 2.850 0 40 IFAB CCOC(=O)c1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc(=O)[nH]c1C 10213764 RCGAPXKBAHNMQK-UHFFFAOYSA-N 431.392 2.884 0 40 IFAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCCCC2)CS(=O)(=O)C3)c(C)c1 10250619 NORZTOOQOXMACR-UHFFFAOYSA-N 444.557 2.695 0 40 IFAB O=C(NCCc1nnc2ccccn12)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 11546497 BFQPHYLPTVRCBK-UHFFFAOYSA-N 439.475 2.541 0 40 IFAB O=C(CCCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 11796397 QNNBJKNHRSYGKO-UHFFFAOYSA-N 447.576 2.807 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccccc1Cl 11904782 IQGXUXDTLNDCTL-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 12533942 MDLHSVMHXJBSSX-JTQLQIEISA-N 438.431 2.541 0 40 IFAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccccc3F)n2)o1 12704963 ATQNQAAOCKCKAJ-UHFFFAOYSA-N 440.479 2.863 0 40 IFAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12761165 JCDUFDSOVUEIQS-UHFFFAOYSA-N 435.933 2.801 0 40 IFAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(Br)cc1 12786205 CGGOBYPZQKVNGO-UHFFFAOYSA-N 430.302 2.903 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)c1cc(C)n(C2CC2)c1C 12812208 YFGKWYMPHSGHKL-IBGZPJMESA-N 432.590 2.927 0 40 IFAB CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1 12863029 SDAMGKZYWOXNJE-KRWDZBQOSA-N 439.578 2.707 0 40 IFAB CCCCn1c(CCC(=O)NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2CCC 13041822 OOSSCIQMDBIACG-UHFFFAOYSA-N 425.533 2.654 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1S(=O)(=O)N1CCOCC1 13056774 ZSAGFNLULMEJGA-YVGKDXFMSA-N 448.585 2.911 0 40 IFAB NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1 14000883 KBARBYKSCYXHSJ-INIZCTEOSA-N 441.285 2.973 0 40 IFAB CCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 14942106 SQAGVMRHXXCYJM-UHFFFAOYSA-N 436.512 2.664 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(S(C)(=O)=O)cc1 15619369 JGQDFOSOAROZCK-UHFFFAOYSA-N 425.304 2.530 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 19591022 HQKQXKHNEDRXKT-FDDCHVKYSA-N 425.554 2.591 0 40 IFAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(CC(=O)Nc2ccc(F)cc2)CCO1 19702649 KXEFGAUDZQGCPM-MRXNPFEDSA-N 428.489 2.807 0 40 IFAB C[C@H](NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)c1nc2ccccc2[nH]1 19750609 KGTZYWWLAVVQTO-HNNXBMFYSA-N 447.470 2.671 0 40 IFAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 20082129 LTTLHZSHVOGAMK-DENIHFKCSA-N 433.560 2.808 0 40 IFAB O=C(c1cnc2n(c1=O)CCS2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22225613 JAUKIJGOBFZGMD-UHFFFAOYSA-N 432.549 2.896 0 40 IFAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 22321945 LMWHMHWCBTWXIQ-UHFFFAOYSA-N 443.506 2.824 0 40 IFAB CCOC(=O)N1CCN([C@@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697691 BNWLBDLAPWHTRM-NRFANRHFSA-N 447.507 2.511 0 40 IFAB CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)CC1 22766416 SBIJAKCZYZJJNU-QGZVFWFLSA-N 440.491 2.810 0 40 IFAB O=S(=O)(c1cccs1)N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 25480640 ZGRQDZYMXGUTTC-AZUAARDMSA-N 436.599 2.510 0 40 IFAB CC[C@H](NC(=O)CNC(=O)CNC(=O)c1cccs1)c1ccc(Br)cc1 32748024 HYWKYIZZXSAFBC-AWEZNQCLSA-N 438.347 2.624 0 40 IFAB COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1cccnc1 34897627 XLXCQPSCZFIKDR-PKTZIBPZSA-N 445.475 2.865 0 40 IFAB CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1cccc2ccccc12 35736501 QPPZFMUEXZZDBD-FLEOUKIISA-N 435.476 2.923 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855438 STFPYEBJPOMYHV-OXQOHEQNSA-N 430.526 2.941 0 40 IFAB Cc1cc(C(=O)NC2CCN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)CC2)no1 48285594 UUXQQRXAIYCXSV-UHFFFAOYSA-N 433.468 2.665 0 40 IFAB COC(=O)c1cc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)ccc2o1 65589196 WPCZEDJRVSPELJ-CQSZACIVSA-N 436.420 2.982 0 40 IFAB COc1ccc(CCC(=O)N2CCCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 69930150 BDYLBUUQEXNICG-UHFFFAOYSA-N 426.561 2.672 0 40 IFAB CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F 72356019 OJNFCAJCRZRWOJ-HNNXBMFYSA-N 427.452 2.969 0 40 IFAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3ccccn3)CC2)C1 72372440 ATGJUSQJZRHWNH-NRFANRHFSA-N 448.567 2.758 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377744 HOQTWZAKQVEDAO-GOSISDBHSA-N 426.502 2.935 0 40 IFAB COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2C)cc1S(=O)(=O)N1CCOCC1 89589046 NUCSFUOOQHYZNE-XBXARRHUSA-N 434.489 2.816 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c1 95958136 VTKKWYCAKJQARE-INIZCTEOSA-N 436.965 2.685 0 40 IFAB CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 95966973 DAQFZFVIPLOPEJ-CABCVRRESA-N 435.498 2.724 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1 96103507 NFQLFAYCDRPUBX-MRXNPFEDSA-N 445.946 2.594 0 40 IFAB CC(C)Cn1c(=O)c2sccc2n2c(=O)n(Cc3ccc(N4CCCC4=O)cc3)nc12 96321837 HAZNIUHLWIOHQI-UHFFFAOYSA-N 437.525 2.704 0 40 IFAB Cc1ccc(CNC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)cc1 100036790 IVYAZAOOERWPOI-RBUKOAKNSA-N 425.876 2.566 0 40 IFAB CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CC1)CC3 100234828 UTUBNYYWMCJDDX-KUHUBIRLSA-N 425.533 2.829 0 40 IFAB CC/C(C)=N\OC(=O)[C@@H]1[C@@]2(C#N)C(N)=NC(O/N=C(\C)CC)(O/N=C(\C)CC)[C@]12C#N 102442886 OBIYNLZSQMYIHU-NVOSIIOPSA-N 429.481 2.595 0 40 IFAB COc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)cc1 107748821 IBGQGVXTUIMZLZ-UHFFFAOYSA-N 443.504 2.666 0 40 IFAB CCOc1ccccc1N(CCCC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O 222615097 CBRZHWRXDHHAEM-UHFFFAOYSA-N 433.574 2.884 0 40 IFAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 223187021 HQJNXNITOHJFDQ-SFHVURJKSA-N 428.554 2.866 0 40 IFAB COc1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 223676789 DWBKOTGKPRHMNZ-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1OC 223785381 BQQJEIMGFLVFST-UHFFFAOYSA-N 431.514 2.681 0 40 IFAB COc1ccc(C(=O)N2CCOCC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224794409 BCCLYIJVDZUBFV-UHFFFAOYSA-N 438.933 2.642 0 40 IFAB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224835062 SGTPHAQVPDJPGO-UHFFFAOYSA-N 441.889 2.878 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccccc1C 225131250 ZZEIOHHTEKKCME-UHFFFAOYSA-N 446.569 2.916 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 225482659 ORNDQVLCZMOTQM-UHFFFAOYSA-N 446.525 2.830 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)CC2=O)cc1 225732041 AUXYNSYKTVGYEP-INIZCTEOSA-N 447.461 2.814 0 40 IFAB CO[C@@H]1/C=C/[C@](C)(O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O[C@H](C)[C@@H](C)CC/C=C/1C 253390070 XBLHNZRXAORYAC-AVYQYBKNSA-N 429.579 2.520 0 40 IFAB biogenic,in-vitro O=C(COc1cccc(/C=c2\sc3ncnn3c2=O)c1)Nc1cccc(C(F)(F)F)c1 256055284 ATNKKQCCSRSEGF-PXNMLYILSA-N 446.410 2.735 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 260841329 NVQKTBJZFLDVQR-SFHVURJKSA-N 430.014 2.872 0 40 IFAB COc1ccccc1CNC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408617590 BVJXJWWIMMVPJB-UHFFFAOYSA-N 441.347 2.536 0 40 IFAB COC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)c1ccccc1F 610894302 QAOBOLORMCCBLV-VQTJNVASSA-N 429.423 2.524 0 40 IFAB CC(=O)OC[C@]1(CC(=O)N2CCOCC2)CCCN1C(=O)/C=C/c1cccc(Cl)c1 643587048 QLRFXISDGJTYBK-XYXUZSOXSA-N 434.920 2.526 0 40 IFAB O=c1c(=O)n(-c2ccc(F)cc2)ccn1Cc1cn(-c2ccc(C(F)(F)F)cc2)nn1 1775968616 HHDWMABEBIEEPP-UHFFFAOYSA-N 431.349 2.786 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(COc2ccc3nccn3n2)CC1 1888922193 GQUVAMHXZJXWMS-UHFFFAOYSA-N 436.921 2.871 0 40 IFAB Cn1c(=O)c2c(nc(SCC(=O)c3ccc(F)cc3)n2Cc2ccccc2)n(C)c1=O 930441 QHJWRBYDCGBSPO-UHFFFAOYSA-N 438.484 2.596 0 40 IFAB COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)NCc4ccco4)n3)cc2)cc1 1357996 KCJNLJFDCFPJPI-UHFFFAOYSA-N 432.440 2.510 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1 3437761 WMAGLDITMRHKJU-UHFFFAOYSA-N 438.933 2.844 0 40 IFAB O=C(NCCCN1CCCC1=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3448753 PJCGVZGDEWEUKV-UHFFFAOYSA-N 441.553 2.570 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2cccc(C)c2)n1 3533798 VPOLYYFYNJXZKX-UHFFFAOYSA-N 437.485 2.836 0 40 IFAB CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC(C)=O)cc3)N2C1=O 3636779 NQOHBBOMKJQTJR-AEFFLSMTSA-N 432.498 2.840 0 40 IFAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 4896481 IUZKUGSQHPFCLI-UHFFFAOYSA-N 427.501 2.629 0 40 IFAB C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 6531078 YGWLDMTVPHQFIX-CYBMUJFWSA-N 433.915 2.506 0 40 IFAB Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(Cl)cc1 8709858 LMVKNTKFEGHGRZ-UHFFFAOYSA-N 440.935 2.586 0 40 IFAB O=C(NCCCn1cnc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8777564 JZGKIMPXNBZKPI-HXUWFJFHSA-N 430.505 2.535 0 40 IFAB O=C(CN1C(=O)Cc2ccccc2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9376307 IJPOAXWEWWLKLK-UHFFFAOYSA-N 429.480 2.835 0 40 IFAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 9507531 KKWWNTPUSVFLMT-OAHLLOKOSA-N 439.449 2.596 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4F)ncn3n2)cc1 11666437 LFECWOUWZVLDKL-UHFFFAOYSA-N 425.395 2.874 0 40 IFAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(F)cc(F)c21 11726438 DZFNPCFAQHGQFQ-DYTRJAOYSA-N 425.482 2.992 0 40 IFAB COc1cc(OC)c(C2=CCN(C(=O)CNC(=O)COc3ccccc3)CC2)c(OC)c1 11918999 YFWNFXZTBCHTKS-UHFFFAOYSA-N 440.496 2.523 0 40 IFAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cccnc4)CC3)n2)C1 12133509 CFXINFULQZNGTL-INIZCTEOSA-N 443.573 2.531 0 40 IFAB CC(C)(C)NC(=O)NC(=O)CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12536679 DGYDHTYVGHPFFZ-UHFFFAOYSA-N 442.607 2.753 0 40 IFAB O=C(c1cc(-c2ccccc2)on1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12804037 DYPIMOOYVWOGFW-UHFFFAOYSA-N 433.436 2.767 0 40 IFAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12894963 QHLGNAOGFXQREQ-UHFFFAOYSA-N 436.892 2.788 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc(Br)o1 12911360 CXUYTTLWYOKUIE-UHFFFAOYSA-N 428.670 2.522 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1C 12982594 PWHNMFSJULETFA-HXUWFJFHSA-N 433.574 2.908 0 40 IFAB CCn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 13042374 MCZVBISQTDYKMO-UHFFFAOYSA-N 442.541 2.648 0 40 IFAB CCCN(CC(=O)NC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1nc2ccsc2c(=O)[nH]1 14324170 XLJQXOVDFNNFNI-QLFBSQMISA-N 433.578 2.847 0 40 IFAB COC(=O)c1c(NC(=O)CN2CCC(Cc3ccccc3)CC2)sc(C(N)=O)c1C 17096579 NKLVHLYEEOWRIQ-UHFFFAOYSA-N 429.542 2.835 0 40 IFAB COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN(C)Cc3ccccc3Cl)nc(=O)c12 17288674 OXGCPJXHBTVIDJ-UHFFFAOYSA-N 449.916 2.772 0 40 IFAB Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19345593 MEZAQIZJHKMUSI-UXHICEINSA-N 427.497 2.938 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)cc2)nc(C)n1 19640821 CRDFRHIEYSAUMV-CFGMGRTJSA-N 444.513 2.580 0 40 IFAB COc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)[nH]c2C(N)=O)cc1 19698890 SCMAFGSTDJENTQ-INIZCTEOSA-N 440.525 2.753 0 40 IFAB O=C(c1ccnc(N2CCCC2)c1)N1CCO[C@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704386 BDRHJTFIEKFPSK-AREMUKBSSA-N 446.551 2.882 0 40 IFAB CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)CC1 19831072 YXAMUPZTXUTTFO-OAHLLOKOSA-N 430.835 2.762 0 40 IFAB CCOc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O 20492015 ZZYVGQFEMWKURS-UHFFFAOYSA-N 442.541 2.662 0 40 IFAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)sc2c1 20745344 RZUGBLOGCXSOME-LLVKDONJSA-N 433.486 2.831 0 40 IFAB C[C@@]1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCS(=O)(=O)C1 22548082 SPTCMLNDFLVNJI-MRXNPFEDSA-N 439.887 2.664 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 23134989 QUVOGXDRGHUSQO-UHFFFAOYSA-N 432.484 2.765 0 40 IFAB Cc1nc(C2(NC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)CCCCC2)no1 23508735 KLBLRYLQNHOJDA-UHFFFAOYSA-N 437.426 2.970 0 40 IFAB C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)N1CCCCCC1 25171166 OUHGHXNERRXXLA-IRXDYDNUSA-N 440.537 2.561 0 40 IFAB Cc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 32121420 OQQWSKHHUJMUJI-UHFFFAOYSA-N 435.977 2.926 0 40 IFAB COC(=O)c1sccc1NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 32909508 BZGXAWTUMFEYHT-UHFFFAOYSA-N 429.545 2.571 0 40 IFAB CCN(CC)C(=O)CN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1 36398653 NBUYPUDKLMHZGN-UHFFFAOYSA-N 431.540 2.923 0 40 IFAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1 58203077 XXJGSXQBWQYVSI-FUHWJXTLSA-N 437.606 2.711 0 40 IFAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)N2CCCc3ccccc32)c1=O 67235211 NPYXRNRLDNIVFF-UHFFFAOYSA-N 428.492 2.685 0 40 IFAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)NCc2ccccc2F)c(=O)c1CCO 67316605 PTBFWZNWAFUHLH-UHFFFAOYSA-N 429.879 2.862 0 40 IFAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCN4CCCC[C@@H]4C3)nc2-c2cccs2)on1 72337276 DHMITAUNLLALBF-MRXNPFEDSA-N 439.541 2.632 0 40 IFAB Cc1cc2c(s1)c1cnn(CC(=O)Nc3ccccc3N3CCOCC3)c(=O)c1n2C 72389438 TXHAHIFPSQBNAA-UHFFFAOYSA-N 437.525 2.733 0 40 IFAB Cc1c(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cccc1C(=O)N1CCCC1 84041315 KCSAKYOTIUIQHG-BJLQDIEVSA-N 430.574 2.895 0 40 IFAB COc1ccccc1-c1ccc(=O)n(CC(=O)NC2CCN(Cc3ccccc3)CC2)n1 95479291 YLQOCQRQYZWUNC-UHFFFAOYSA-N 432.524 2.700 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CN(c2ncccn2)C[C@]32CCN(C)C2=O)c1 96144274 JCTKMPMCOLSZJV-VWLOTQADSA-N 433.556 2.685 0 40 IFAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O 96144449 VZIDKJZLKQLVAL-QHCPKHFHSA-N 427.549 2.537 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O)N1CCCC1 108189885 LLOOXKBCBJWALY-NSIKDUERSA-N 439.287 2.837 0 40 IFAB Cc1c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(=O)n(-c2ccccc2)n1C 222512701 WDQSIRNGGSQNEN-UHFFFAOYSA-N 448.932 2.786 0 40 IFAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224829365 XQFBNKZDUBSBDW-QGZVFWFLSA-N 434.558 2.979 0 40 IFAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1OC 224905455 GFETWGQTRNVRQK-UHFFFAOYSA-N 434.499 2.917 0 40 IFAB Cc1nonc1COc1ccccc1C(=O)N1CCC[C@](C(=O)N(C)C)(c2ccccn2)C1 257232948 GNBSSAALJYEEQK-XMMPIXPASA-N 449.511 2.614 0 40 IFAB CCc1nnsc1C(=O)N(C)[C@@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@H]1O 257270803 MVSOBDSSBVBATN-WOIUINJBSA-N 430.574 2.550 0 40 IFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306123055 ADMQFTCXBKCIGN-OFVILXPXSA-N 444.539 2.913 0 40 IFAB NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 408963872 PUQJZSRHLUBBOI-PXNMLYILSA-N 445.884 2.879 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)cc1 585176633 OOCKSZIBPSYSFQ-UHFFFAOYSA-N 425.514 3.192 0 40 IFAB CCS(=O)(=O)N1CCC(CNC(=O)N[C@H](C)c2ccccc2Br)CC1 680379168 DYKVCUGTPPAULP-CYBMUJFWSA-N 432.384 2.871 0 40 IFAB O=C1Cc2cc(C(=O)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)c(Cl)cc2N1 1116174387 VUNKUQDYPYDKQQ-INIZCTEOSA-N 427.888 2.673 0 40 IFAB COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 780438 ZCZNUHDGJBABKK-UHFFFAOYSA-N 426.469 2.981 0 40 IFAB Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)c2c1 2225133 KJDBOLWJOFSBMP-UHFFFAOYSA-N 442.493 2.683 0 40 IFAB CCOC(=O)c1ccc(-n2ncc(N3CCC(C(=O)OCC)CC3)c(Cl)c2=O)cc1 2576681 DAGHATPLPZFFDE-UHFFFAOYSA-N 433.892 2.842 0 40 IFAB COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 2621127 ATAZLZNSWPRBEY-UHFFFAOYSA-N 433.511 2.578 0 40 IFAB O=C(COC(=O)c1ccc(Br)o1)COC(=O)c1ccc(Br)o1 3279821 XDMBWWOADVJFDB-UHFFFAOYSA-N 436.008 2.981 0 40 IFAB CCc1ccccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 3557629 GPSVERTUHFNNCW-PKNBQFBNSA-N 430.526 2.930 0 40 IFAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2)c2cccnc2)cc1 9006549 LAQRAPRIEHSZAP-NRFANRHFSA-N 426.494 2.800 0 40 IFAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288717 ISLQNCGHQVXTFC-GJZGRUSLSA-N 433.505 2.894 0 40 IFAB COc1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)ccc1OCc1c(C)noc1C 9510652 UIEGVXGXIWXEBE-UHFFFAOYSA-N 445.472 2.804 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 9562872 MAIWBBUNWVYOAF-UHFFFAOYSA-N 431.514 2.710 0 40 IFAB COc1ccc(CNC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 9579767 YVASOUQSQPOMCH-QHCPKHFHSA-N 446.503 2.896 0 40 IFAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9644521 LXLNLBLKQDSJCM-LLVKDONJSA-N 449.458 2.917 0 40 IFAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)cc3)n2C)CC1 9645077 BUOVQTHKJRXVMU-CQSZACIVSA-N 432.546 2.773 0 40 IFAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 9730931 CRPJUIZGEAELOY-VAENJDROSA-N 443.861 2.800 0 40 IFAB COc1ccccc1-n1c(C)cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 9829380 OTNHBPNTWZMNMQ-UHFFFAOYSA-N 429.480 2.698 0 40 IFAB CN(C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2cc3c(cc2s1)OCCO3 10066033 ZBFWJNXIYNHDKD-IBGZPJMESA-N 441.509 2.802 0 40 IFAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 10894983 HQEOJTIPJMKQOY-IBGZPJMESA-N 428.510 2.738 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 12109364 UUKXQZFUJUWXBZ-LJQANCHMSA-N 433.505 2.660 0 40 IFAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCCCn1ncc2ccccc21 12148730 JOHJZAYAYYRXRF-UHFFFAOYSA-N 444.524 2.835 0 40 IFAB Cc1ccc(NC(=O)CN(C)CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 12745381 XVWZERMQHLYJBB-UHFFFAOYSA-N 428.964 2.863 0 40 IFAB CCOC(=O)c1sc(NC(=O)Cn2cnc3sccc3c2=O)c(C(=O)OCC)c1C 12786198 JNVFVAGCYSIZSE-UHFFFAOYSA-N 449.510 2.820 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1 12805189 SSBPFENGUFYDOI-KRWDZBQOSA-N 434.945 2.733 0 40 IFAB C[C@@H](NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 12993897 RIVXAKHPXFTTFQ-MRXNPFEDSA-N 437.512 2.539 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)Nc1ccc(F)c(F)c1F 13063250 TWHLPNWTYGIVBQ-UHFFFAOYSA-N 447.866 2.702 0 40 IFAB CCCCN(C(=O)COC(=O)c1ccc2c3c(cccc13)CC2)[C@@H]1CCS(=O)(=O)C1 14703022 BAALADWPQJUFSR-GOSISDBHSA-N 429.538 2.911 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)CC2)c1C 15791330 POIAHPUMCASYPL-UHFFFAOYSA-N 442.006 2.988 0 40 IFAB COc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1OC(F)F 16964475 MFZRKSTWCGCARD-IBGZPJMESA-N 448.422 2.563 0 40 IFAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)nc(O)c2C1 19014761 OQCFKGFYXVRMBZ-PMACEKPBSA-N 442.560 2.880 0 40 IFAB CC(C)C(=O)N1CCC(C[C@H]2CC(c3ccccc3)=NO2)(C(=O)N2CCC(O)CC2)CC1 19085163 ZJNJCOHGHXNFKM-OAQYLSRUSA-N 441.572 2.818 0 40 IFAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCC(=O)N2)C1 19449057 XAFSMKHRVVTISY-DVECYGJZSA-N 439.581 2.980 0 40 IFAB COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4cccnc4)C3)nc(O)c2C1 19570609 DEAZATYXWCXEQQ-LJQANCHMSA-N 445.523 2.774 0 40 IFAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)[C@H]2CCC(=O)N2)C1 19591025 HQKQXKHNEDRXKT-JPYJTQIMSA-N 425.554 2.591 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19591176 SHJAKPMDLUYFLX-HSZRJFAPSA-N 436.537 2.710 0 40 IFAB O=C(CCCS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2ccc(-c3cn[nH]c3)cn2)C1 19692490 KZWOTHALQIJRBI-OAQYLSRUSA-N 440.525 2.626 0 40 IFAB Cc1nc(CC(=O)N2CCC[C@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cs1 19707901 AXQSXQKKMNWCFM-HNNXBMFYSA-N 432.550 2.700 0 40 IFAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2CC1CCCCC1 19740430 UKCHYGRJLZGCAL-SFHVURJKSA-N 435.594 2.588 0 40 IFAB C[C@H](NC(=O)Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)c1nc2ccccc2[nH]1 19751549 AIOJRVOVCLXVAS-HNNXBMFYSA-N 447.470 2.671 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCc3c(C)nc4ncnn4c3C)c2C)no1 21476730 BBAOIBVMZAPUNV-UHFFFAOYSA-N 436.472 2.804 0 40 IFAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 21964660 ODEWQMMTSNUIPL-KQDNUWKFSA-N 438.553 2.869 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 22368346 SBUYVZOEACJOSO-QGZVFWFLSA-N 446.525 2.908 0 40 IFAB O=C(CN1CSCC1=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 23150440 BMBGKZYAYDDZIM-UHFFFAOYSA-N 425.919 2.612 0 40 IFAB COc1ccc([C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)N2CCOCC2)cc1 23805981 IRHPEKPQHVPSME-QHCPKHFHSA-N 437.540 2.554 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1sccc1-n1cccc1 25437274 GTAPMWRVICLZHQ-UHFFFAOYSA-N 437.568 2.551 0 40 IFAB O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 27533981 POZXIQWTQDKBIX-UQQXROCHSA-N 428.573 2.879 0 40 IFAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1[C@@H]1CCS(=O)(=O)C1 27757578 GNPQQZLMMFKCOK-MPBGBICISA-N 427.457 2.654 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 32999908 WLJRSACRWFQQJU-UHFFFAOYSA-N 446.525 2.985 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)N(S(C)(=O)=O)CC2 35313450 DYSZEUOMKAKPRY-NRFANRHFSA-N 428.510 2.761 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)c1)C1CC1 40052215 CNARWEJYXLWHCE-VQTJNVASSA-N 441.528 2.633 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc3nn(Cc4c(F)cccc4Cl)c(=O)n3c2)CC1 49408000 JLJXYRFRHUVEJE-UHFFFAOYSA-N 438.912 2.757 0 40 IFAB O=C(CSc1nnc2c(=O)n(Cc3ccc(F)cc3)ccn12)NCc1cccs1 49421437 MSUOBPXATKPFTM-UHFFFAOYSA-N 429.502 2.548 0 40 IFAB COc1cccc(C[C@@H](C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)n2nnnc2C)c1 58014118 ADYOACDIOTUKFS-UGKGYDQZSA-N 448.527 2.651 0 40 IFAB O=C(NCCN1CCS(=O)(=O)CC1)c1sc(-c2ccccc2)nc1-c1ccccc1 58441337 LXZIZZBZIOBARY-UHFFFAOYSA-N 441.578 2.937 0 40 IFAB CC(C)(NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1cccc(C(F)(F)F)c1 60377528 GDBNFHFFBUDNFF-UHFFFAOYSA-N 441.475 2.767 0 40 IFAB CCn1cc(CN(C)C(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)c(C)n1 72327589 RWLOJJRCQFWWCF-XMMPIXPASA-N 438.528 2.587 0 40 IFAB CCOc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1Cl 72329342 JOOPXQHQGPORNX-UHFFFAOYSA-N 448.932 2.749 0 40 IFAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1cnn(C)c1 72370261 BCOLVCGESYIMSO-MRXNPFEDSA-N 426.542 2.858 0 40 IFAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c(OC)c1 72394964 HPVVXWPGASGUDG-QRQCMCJISA-N 425.529 2.696 0 40 IFAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)NCCS(=O)(=O)Nc2ccccn2)c1 79019721 BRFXKEQREKOOKO-MUUNZHRXSA-N 438.575 2.692 0 40 IFAB CN1CCCN(c2ccc(CNC(=O)c3cccc(NC(=O)c4cccnc4)c3)cn2)CC1 89382475 CEFNYGYEVITYQH-UHFFFAOYSA-N 444.539 2.801 0 40 IFAB COC(=O)C1=NN(c2cccc3ccccc23)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 100937653 MVWMIPNHUXMCRQ-FPOVZHCZSA-N 429.432 2.756 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 138918849 FZZSWNILOLJCKR-MRXNPFEDSA-N 426.469 2.855 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223095284 KRSSQLIJLKDNHW-OAQYLSRUSA-N 435.524 2.925 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1I 223982452 QPODTAGRMGXOIU-UHFFFAOYSA-N 447.294 2.966 0 40 IFAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224085666 GBNXSIUJGRQVKH-IBGZPJMESA-N 445.585 2.642 0 40 IFAB CCOc1cc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)ccc1OC 224352516 KNHDBOLUGQDPJQ-UHFFFAOYSA-N 440.949 2.825 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c1 224629637 NUPSUDMFOAKTNL-SFHVURJKSA-N 445.585 2.762 0 40 IFAB COc1cccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)c1 409150837 DZYGZFCALDXNFB-UHFFFAOYSA-N 425.514 2.837 0 40 IFAB O=C(NCc1nc2cc(Br)cnc2[nH]1)[C@@H](c1ccccc1)N1CCC(O)CC1 544233121 JSMNZIFDPGADPL-GOSISDBHSA-N 444.333 2.535 0 40 IFAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cc3c(nn2)CCC3)CC1 575619072 GBNHCKPBJQBCOI-UHFFFAOYSA-N 426.464 2.636 0 40 IFAB Cc1c(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cccc1-n1cnnc1O 582997192 INWBLCZLVAMEHA-AWEZNQCLSA-N 448.476 2.637 0 40 IFAB Cc1ccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC(=O)NC(C)C)o1 585107048 OZHWQGZZMOAWNN-XMMPIXPASA-N 433.512 2.860 0 40 IFAB Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)nc2nc(O)nc(O)c12 656418900 NMQQMUJJRNSSJZ-RMJJICAUSA-N 445.523 2.727 0 40 IFAB CC(=O)N[C@@]12CN(CC(=O)Nc3cc(C)ccc3F)CC[C@@H]1[C@@H](c1ccccc1)N(C)C2 1848354247 UKMQBGJDZCEEGJ-ZPZUNKDASA-N 438.547 2.956 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CN(C)c2cc(C(F)(F)F)ccn2)CC1 1888876106 NSESQNNUKSXPOI-UHFFFAOYSA-N 445.511 2.988 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1OC 806901 UYEKNGPGNCUIMC-UHFFFAOYSA-N 446.525 2.946 0 40 IFAB CC(C)[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 3293586 QKIYZNJRXYEKLW-KRWDZBQOSA-N 432.542 2.809 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1OC 3610766 AJXCTFPXGXWOFS-RUZDIDTESA-N 447.491 2.940 0 40 IFAB CN(C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 8705042 KXAGNJRRWGRGLV-HNNXBMFYSA-N 438.575 2.781 0 40 IFAB Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 8724975 ACVYOCFXVIBNII-UHFFFAOYSA-N 436.343 2.775 0 40 IFAB O=c1[nH]c(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)nc2ccsc12 9339154 HENWTLBBYYNVLB-UHFFFAOYSA-N 444.517 2.833 0 40 IFAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9570799 OGMYXZVKHUOYMB-GFCCVEGCSA-N 431.283 2.638 0 40 IFAB COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C 10102848 PNPNBRZSKNUFDC-UHFFFAOYSA-N 431.496 2.722 0 40 IFAB COc1cc(OC)c(C2=CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(OC)c1 10672593 FAMKEEMCEDQIOQ-UHFFFAOYSA-N 447.509 2.962 0 40 IFAB Cc1c(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)c(=O)oc2cc(O)c(Cl)cc12 11865584 MGNPLPPZHVAOMF-MRXNPFEDSA-N 431.828 2.521 0 40 IFAB biogenic CCC(CC)[C@H](CNC(=O)Cn1c(-c2ccc(OC)cc2)n[nH]c1=S)N1CCOCC1 12764575 JTKAAHWOJNTCTN-IBGZPJMESA-N 447.605 2.869 0 40 IFAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1 13082929 CDISMAOYSDTUOO-KRWDZBQOSA-N 430.574 2.778 0 40 IFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(c2nc3ccccc3o2)CC1 13126597 LAKINQLJPIYXII-CQSZACIVSA-N 438.509 2.661 0 40 IFAB O=C(NCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc(OC(F)F)c1 14168691 PDSGJVMUHYYCCX-UHFFFAOYSA-N 444.438 2.525 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N[C@H]1CCSc2ccc(F)cc21 14184634 KZCDXMVLYSBDBD-KSFYIVLOSA-N 441.484 2.709 0 40 IFAB COc1ccc(OCCCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 14230340 YDCLIRZSPVTYQO-JOCHJYFZSA-N 445.947 2.878 0 40 IFAB COC(=O)c1ccc(/C=C/C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 14572039 OTTRNFKGDNHXRE-QHSLDKKCSA-N 447.491 2.931 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 14772785 HNYBXDDRQARHMK-CVEARBPZSA-N 444.509 2.829 0 40 IFAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC 17298717 OSTPHVRNZZPXFS-UHFFFAOYSA-N 436.505 2.560 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CN3C[C@H](C)O[C@@H](C)C3)CC1)N2 19128689 LKHLAJQRVURXDO-UOVPBQLFSA-N 425.524 2.530 0 40 IFAB Cc1cc(C(=O)N2CC[C@](Cc3cc(C4CCCCC4)no3)(C(=O)N(C)C)C2)nc(N)n1 19739205 DITMTWAOMAEPDQ-HSZRJFAPSA-N 440.548 2.566 0 40 IFAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 20637683 GVHWNZOHXYTMPF-PMACEKPBSA-N 439.468 2.512 0 40 IFAB COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2c1 20736946 LYKVXGQCHFBANP-ZDUSSCGKSA-N 439.468 2.724 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1OC)C(=O)OC 20761849 IMHMHQBFJNVXRB-FMEYXAORSA-N 430.505 2.672 0 40 IFAB biogenic COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(Cl)c1 22537520 BECSLENGBZNSJN-CYBMUJFWSA-N 444.912 2.660 0 40 IFAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 24085747 KSRFRZRDADKCRH-HOYKHHGWSA-N 440.496 2.672 0 40 IFAB Cc1ccc(CNC(=O)NCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 24178921 FEGAGMDQKROLAW-UHFFFAOYSA-N 432.927 2.931 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 27411494 BFKJLXQBEJVQBW-UHFFFAOYSA-N 435.480 2.756 0 40 IFAB CCCn1c(N2CCN(C(=O)c3ccccc3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555915 LOEOIDMZCBFWHO-UHFFFAOYSA-N 434.496 2.540 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(F)cc2Br)CC1 29361944 FNUGVEZSHOTWMO-CQSZACIVSA-N 426.330 2.747 0 40 IFAB CN(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 32781241 YVSLUSGZPKCILK-NRFANRHFSA-N 427.526 2.791 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 34807836 UURSGXAWWOJNMB-LLVKDONJSA-N 425.894 2.613 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(SC(F)F)cc1 34888585 RDBHZYJRSMBIAM-UHFFFAOYSA-N 441.525 2.946 0 40 IFAB NC(=O)C1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4cccnc4)n3)cn2)CC1 35425352 ZOMPBCRVVYDONX-IBGZPJMESA-N 433.516 2.565 0 40 IFAB biogenic,in-vitro O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1 36614662 LANLQWSBRISNIA-UHFFFAOYSA-N 443.613 2.944 0 40 IFAB O=C(CCn1nnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2Cl)CC1 38679956 GQDSJKGTPBBKDW-UHFFFAOYSA-N 432.311 2.837 0 40 IFAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc(-n2cncn2)nc1 40107040 HABCSSQPQBZHFG-HNNXBMFYSA-N 448.430 2.800 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380070 STNKAYHZSMJXJS-AWEZNQCLSA-N 432.458 2.638 0 40 IFAB COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)oc1C 58744333 KEOVJVSORHNVCX-GFCCVEGCSA-N 435.274 2.806 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 71869412 SCQHXFMYQSJRBI-AWEZNQCLSA-N 427.530 2.697 0 40 IFAB Cc1nccn1CCC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325547 VQHKKLINOUBIDZ-JOCHJYFZSA-N 443.935 2.568 0 40 IFAB C[C@@H](C(=O)NCCn1ccc2cc(Br)ccc21)n1nnc2ccccc2c1=O 94993151 LOJVIHWLXBWXJO-ZDUSSCGKSA-N 440.301 2.886 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 100278949 QJUQTUHYQBIKIC-IQOSAITKSA-N 443.455 2.864 0 40 IFAB COc1cccc2s/c(=N/C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)n(C)c12 101018134 XYBCBMJCUIBBIM-VNRULFPQSA-N 445.566 2.837 0 40 IFAB CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@H]2C(=O)N(C)C(=O)[C@H]12 103010912 CCJUYJPNWLJZOB-ONFVETCGSA-N 435.499 2.817 0 40 IFAB C[C@H](NC(=O)NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104241053 XLYXXQOBDYPWGY-DKIMLUQUSA-N 443.573 2.557 0 40 IFAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 220221058 JYESYMMYIUHDFM-OAHLLOKOSA-N 436.530 2.573 0 40 IFAB COc1ccccc1N(CC(=O)NCCOc1ccc(C)c(Cl)c1)S(C)(=O)=O 224135635 VHFFZHJIZOUEOQ-UHFFFAOYSA-N 426.922 2.618 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4ccc(OC)cc4)no3)ccc21 225757605 IMOCBJLJJXIHNW-UHFFFAOYSA-N 442.497 2.523 0 40 IFAB Cc1cc(C(=O)N2CC[C@@H](c3n[nH]cc3-c3ccnc(N)c3)C2)nc(N2CCCCC2)n1 257237942 HIXJCJUCHYJPOL-QGZVFWFLSA-N 432.532 2.772 0 40 IFAB Cc1nonc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n(C)n2)C1 257313934 UUSNLXPOGJDYIA-GOSISDBHSA-N 431.880 2.600 0 40 IFAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ncc(Cc3ccccc3)s2)C1 257323149 WIYFMNAFQLYDTK-HSZRJFAPSA-N 435.553 2.587 0 40 IFAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408665317 RKHLMXQRLNACDD-HFFHYZHBSA-N 426.513 2.713 0 40 IFAB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)O[C@@H]1C2 504437652 OPYGUEHXILVUGD-BKEWWYHGSA-N 438.568 2.794 0 40 IFAB biogenic O=C(Nc1ccc2nccnc2c1)[C@@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCO1 1848352772 IRNFOMSOFHPTTE-QHCPKHFHSA-N 445.523 2.705 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCc2ccccc2)C1=O 2657954 GEOLYBUZQKSZFM-HXUWFJFHSA-N 430.302 2.575 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)N[C@@H]1CCCC[C@@H]1C 4339212 HNRQDGHEHSFNCZ-KYRVCDIISA-N 426.623 2.817 0 40 IFAB Cc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1 8587939 XTMOVKWCUKALBY-UHFFFAOYSA-N 443.554 2.610 0 40 IFAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 8705771 SHXCQPANOFCJKM-UHFFFAOYSA-N 441.553 2.828 0 40 IFAB COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1cc(C)c(C)cc1OC 8768509 MXXDWSHWDPYGCO-UHFFFAOYSA-N 440.543 2.661 0 40 IFAB CCS(=O)(=O)Nc1cc2c3c(n(S(=O)(=O)CC)c2cc1OC)CC(C)(C)CC3=O 8870466 BAZGMELKPZLHKC-UHFFFAOYSA-N 442.559 2.764 0 40 IFAB Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCCC4OCCO4)s3)CC2=O)c1 8905434 QVSIXXWQMPYBRZ-ZDUSSCGKSA-N 434.543 2.693 0 40 IFAB COc1cc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 8915752 GKRIDGGZMMWRCF-MRXNPFEDSA-N 437.489 2.681 0 40 IFAB Nn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1cccs1 8981033 GGKODODNZWSCGT-UHFFFAOYSA-N 432.922 2.685 0 40 IFAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 9283726 NCLHSJCAHFIQSX-KBPBESRZSA-N 439.493 2.718 0 40 IFAB CCn1c(CNC(=O)c2ccco2)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 9328618 SGBMFXVSXMWSCV-LBPRGKRZSA-N 443.485 2.669 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1cc(C(F)(F)F)ccc1=O 9441642 YUVHDPPZWYMDNW-ZDUSSCGKSA-N 443.447 2.851 0 40 IFAB O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9516351 LXDHOIPNBZREGF-UHFFFAOYSA-N 437.481 2.588 0 40 IFAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 9516818 XBDHEJJKBDFMKD-GFCCVEGCSA-N 441.912 2.924 0 40 IFAB CN(C(=O)Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)c1ccccc1 9517802 RHWALUYAIFICGG-UHFFFAOYSA-N 444.373 2.539 0 40 IFAB COc1ccc(Cn2nnnc2SCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 9549060 UGBDNAFWUOITKB-UHFFFAOYSA-N 438.513 2.588 0 40 IFAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 9600677 NEDALZTUYWOKAR-WMZOPIPTSA-N 427.844 2.646 0 40 IFAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 9661888 IPWFQCWEECEMRZ-UHFFFAOYSA-N 438.505 2.530 0 40 IFAB CCOc1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 9674632 DBYMQIRMXQXHGT-MSOLQXFVSA-N 427.848 2.671 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cc(F)ccc4F)[C@H]3C2=O)cc1Cl 9675131 GYPDRMMKRFBZJU-IAGOWNOFSA-N 449.801 2.559 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(Br)s1)C2=O 10502425 INUVDKUECQKEJF-UHFFFAOYSA-N 428.352 2.670 0 40 IFAB O=C(COC(=O)c1ccccc1Cc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 11399140 KUMPCRRHLIKYBH-UHFFFAOYSA-N 435.480 2.720 0 40 IFAB Cc1ccc(-n2nnc3c(SCC(=O)NCc4ccc5c(c4)OCO5)ncnc32)cc1 11758594 HDGUQDOQGKLIKW-UHFFFAOYSA-N 434.481 2.656 0 40 IFAB CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11858217 LNJHCBBPNFIXJL-AWEZNQCLSA-N 438.527 2.587 0 40 IFAB CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)c1 12237812 AJFZKLPTEPSPPX-UHFFFAOYSA-N 430.468 2.796 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 12276810 CKGAJMCSKROILD-UHFFFAOYSA-N 439.472 2.771 0 40 IFAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(C)C)C(=O)O 12890745 JZLWYSPHIJJBDU-QZHFEQFPSA-N 446.548 2.819 0 40 IFAB biogenic O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 12892242 KQJNAGFUOFNHFR-LNEBKTTKSA-N 427.504 2.809 0 40 IFAB O=C(COc1ccc2c(c1)CCC2)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13037757 ZPSYNXQBNZLXGY-HXUWFJFHSA-N 433.508 2.998 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)cc1 13533553 VSYSWTTXKWJQEH-UHFFFAOYSA-N 449.532 2.792 0 40 IFAB O=C(O)c1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1 13565842 YPJVJIQRNWFBJE-SFQUDFHCSA-N 425.466 2.834 0 40 IFAB COc1ccccc1C(=O)N1CCN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC1 13725642 VMEWGSDYFLYHHC-UHFFFAOYSA-N 438.553 2.845 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(OC(F)(F)F)cc1 14018242 SCZOTOLXZLQZKZ-LJQANCHMSA-N 435.358 2.754 0 40 IFAB COc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc(OC)c1OC 15520028 KDVNUOKSDFQLLS-UHFFFAOYSA-N 433.549 2.766 0 40 IFAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15617781 OYKIPPXNVTXNQC-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB O=c1[nH]c(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc2cc(Cl)ccc12 15924457 SWVGFORMUIBORT-MDWZMJQESA-N 444.944 2.695 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 16978390 OUEGAFODGIOOBY-UHFFFAOYSA-N 449.510 2.700 0 40 IFAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 17285146 KNFDXJLEBQFKHJ-IBGZPJMESA-N 441.597 2.749 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCCCC2)cc1 17306564 IBRXVNGFNQBTMQ-UHFFFAOYSA-N 427.501 2.658 0 40 IFAB CCOCCCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 17306888 RGFQFXAQHYRGBB-OAHLLOKOSA-N 446.529 2.516 0 40 IFAB Cc1ccc(Cc2cc(C)nc(C3CCN(C(=O)CC[C@@H]4NC(=O)NC4=O)CC3)c2)cc1 19691616 RKNXOVQDSKROHN-NRFANRHFSA-N 434.540 2.983 0 40 IFAB Nc1ncc(-c2ccc([C@H]3CN(C(=O)CCN4CCCc5ccccc54)CCO3)nc2)cn1 19692499 KVZCSDAIDJPNSG-HSZRJFAPSA-N 444.539 2.864 0 40 IFAB COC(=O)C1=C(C(=O)OC)N2C(=O)c3ccccc3[C@H]1N2c1ccc(Br)cc1 19872826 BUQCIHVWPJCLKL-MRXNPFEDSA-N 443.253 2.981 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 19929785 UHVKZPCZMLCGPX-UHFFFAOYSA-N 434.514 2.830 0 40 IFAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F 22245668 DXLSJDBGBCCGNF-FQEVSTJZSA-N 428.489 2.754 0 40 IFAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@H](C)O[C@H](C)C1 22611953 DVAVRHCNAWYFNI-IYOUNJFTSA-N 430.376 2.973 0 40 IFAB COc1cc(CCNC(=O)Cn2nc(-c3cccs3)oc2=O)ccc1OC(F)F 22834721 KEJDXUURKMIMGH-UHFFFAOYSA-N 425.413 2.534 0 40 IFAB C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(S(N)(=O)=O)cc1 23445676 XNFPJPWNDVWQIQ-OAHLLOKOSA-N 448.504 2.524 0 40 IFAB O=C(CSc1ncnc2ccccc12)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 25929553 FTGBNKQQWXSGHC-CQSZACIVSA-N 433.580 2.999 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C(=O)NC(C)C 30851141 WPOWREAMJHAGDJ-UHFFFAOYSA-N 431.514 2.761 0 40 IFAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)ccc21 32753087 ILFSMOWDPDHBDD-ICSRJNTNSA-N 427.501 2.516 0 40 IFAB CN(C)C(=O)CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 35334316 YSUOXBXCACVHHV-UHFFFAOYSA-N 437.569 2.506 0 40 IFAB O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)NCc1ccco1 36708508 DJAHTJRIISCKOO-UHFFFAOYSA-N 427.505 2.944 0 40 IFAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 39477073 COQKHVCDEDIWKZ-UHFFFAOYSA-N 432.835 2.948 0 40 IFAB COC[C@H](O)CN(C)c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 48314570 JZWDODWCAAADBU-QGZVFWFLSA-N 428.558 2.634 0 40 IFAB Cn1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Br)n1 48367180 BSIZMMBZXPFYKN-UHFFFAOYSA-N 427.324 2.610 0 40 IFAB CCCn1c(=O)c2sccc2n(CC(=O)NCc2ccccc2Br)c1=O 57485870 RKUCJPHORRHACL-UHFFFAOYSA-N 436.331 2.714 0 40 IFAB CCc1cccc(NC(=O)Cn2nc3cc(C)nc(N4CCc5ccccc5C4)n3c2=O)c1 57505886 IBBCRAMGXUKBRR-UHFFFAOYSA-N 442.523 2.963 0 40 IFAB CC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccccc2)CC1 57671676 NRTHEGWIVIHCHB-OAQYLSRUSA-N 440.573 2.686 0 40 IFAB CC(=O)Nc1ccc2c(COC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)cc(=O)oc2c1 57748296 BJDJSSLIBGHDKR-UHFFFAOYSA-N 445.431 2.765 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCc1ccncc1 72327671 FDNUAGCLJCWCKH-JOCHJYFZSA-N 427.888 2.768 0 40 IFAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cc1 72380733 SEHSWEHJBGCQNX-NRFANRHFSA-N 426.517 2.577 0 40 IFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1N1CCCCC1 95945420 REXZZNRDRRFJNH-QGZVFWFLSA-N 440.569 2.763 0 40 IFAB COc1cccc(NC(=O)N2CCC3(CC2)CN(Cc2cccnc2)C[C@]32CCNC2=O)c1 96091183 VXCKAZKUQPRRQT-VWLOTQADSA-N 449.555 2.726 0 40 IFAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3c(C)nn(C(C)C)c3C)C2=O)cc1 96117172 PURQXKQYTVCKKF-SFHVURJKSA-N 427.505 2.581 0 40 IFAB CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn23)CC1 96267392 MMSUGAUMOHQPKO-UHFFFAOYSA-N 425.558 2.777 0 40 IFAB Cc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC(C)(C)C)N(CC(C)C)C(=O)[C@H]13 100431393 SMHKVONVNIZTLM-MMSOTJHASA-N 439.556 2.655 0 40 IFAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 219222212 OWSHHKGLPIUQEN-UHFFFAOYSA-N 442.497 2.693 0 40 IFAB CC(C)Oc1ccc(CCCNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 219668010 XVIXEZAIDDRNFT-UHFFFAOYSA-N 430.526 2.757 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 224182750 WQNFYDXQVANAKJ-UHFFFAOYSA-N 439.493 2.872 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)C2(c3ccc(C)cc3)CCOCC2)CCN1Cc1ccccc1 257234845 GVILFNASIHFBJW-HSZRJFAPSA-N 435.568 2.502 0 40 IFAB CCCN1CCN(C(=O)CNC(C)=O)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 257240227 HSQOVJRKNPZTKD-OAQYLSRUSA-N 439.531 2.868 0 40 IFAB Cc1cc(NC(=O)CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)no1 257244261 IKPIJKJRTVWLSF-IBGZPJMESA-N 445.907 2.993 0 40 IFAB COc1ccc2c(c1)[C@H](NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCO2 531676540 UAHUFXSRSHTXLX-OAQYLSRUSA-N 432.542 2.720 0 40 IFAB O=C(NCc1nc(-c2ccc(N3CCCC3)cn2)no1)[C@@H]1c2ccccc2C(=O)N1C1CC1 546496228 MZZCZQZVMFJLRA-NRFANRHFSA-N 444.495 2.708 0 40 IFAB O=C(NCc1nnnn1-c1ccccc1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 680277801 MSMIQGBTIYGQNJ-KRWDZBQOSA-N 429.488 2.537 0 40 IFAB COc1ccc(-c2ncnc(N3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)c2F)cc1 1775972723 SMJFMEXLWZARLQ-UHFFFAOYSA-N 446.433 2.925 0 40 IFAB CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1cc(OC)c(OC)cc1OC 1480286 MIBPKHXZZADDNP-MRXNPFEDSA-N 447.513 2.912 0 40 IFAB Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)no1 8825307 LIXTXHRWAGIYBX-UHFFFAOYSA-N 449.529 2.689 0 40 IFAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 8877609 FMMIXICJBZMEQT-QFIPXVFZSA-N 443.500 2.994 0 40 IFAB CCN1C(=O)C2(Cc3c(C)nn(-c4ccccc4)c3N3CCC[C@H]32)C(=O)N(CC)C1=S 8941533 BOYLAFXAPAQVRU-SFHVURJKSA-N 437.569 2.688 0 40 IFAB O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1cc(Cl)ccc1F 9455562 WJNBOOQLJZYBBY-UHFFFAOYSA-N 445.875 2.690 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)nc1C 9664053 OJUUKYPQNRKDHW-GFCCVEGCSA-N 443.572 2.872 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC(=O)Nc2cccc(C)c2C)cc1 9822331 LQLJJQDRLGYXQX-OAQYLSRUSA-N 443.569 2.910 0 40 IFAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc4c(c2)OCO4)CSC3)c1 10220914 CPSADTUZUGOEOQ-UHFFFAOYSA-N 436.493 2.911 0 40 IFAB COc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc(OC)c1OC 11229191 VPDZPBCBFAASSR-JXMROGBWSA-N 432.498 2.805 0 40 IFAB COc1cc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc(OC)c1OC 11611635 DHXBSJTVAAPQNT-UHFFFAOYSA-N 439.394 2.967 0 40 IFAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 12583922 FCMXKZMDTYBNTK-UHFFFAOYSA-N 427.482 2.647 0 40 IFAB O=C(NCc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@@H]13)O2 12892219 KQJNAGFUOFNHFR-WOLJRWFJSA-N 427.504 2.809 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 13038977 VPVLHYXDFLTLDX-GOSISDBHSA-N 447.576 2.962 0 40 IFAB COc1cccc(NC(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3)NC(C)=O)CC2)c1 13084873 RBDSWWALLLWBGW-QFIPXVFZSA-N 438.528 2.555 0 40 IFAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccccc2)n1 13097356 PRZQRZSCFWKYBL-UHFFFAOYSA-N 445.483 2.941 0 40 IFAB O=S(=O)(c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1)N1CCOCC1 13752559 VXEHZFSLHACBFW-UHFFFAOYSA-N 425.963 2.848 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 14266590 UYYLIQHFLKKEJE-UHFFFAOYSA-N 428.514 2.602 0 40 IFAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(C)CCOc2ccc(F)cc2)cc1 15101559 NLGLJTOFNBUCKK-INIZCTEOSA-N 437.537 2.850 0 40 IFAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(S(C)(=O)=O)CC3)ccc21 15400948 HDFRGHVTQDYXLO-INIZCTEOSA-N 428.558 2.719 0 40 IFAB Cc1cc2nc(COC(=O)c3ccc(NC(=O)COc4ccccc4)cc3)cc(=O)n2o1 15772174 LSBWOSJYGIVJFR-UHFFFAOYSA-N 433.420 2.970 0 40 IFAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 17653209 VTJBIIUHFVKBKJ-UHFFFAOYSA-N 427.457 2.731 0 40 IFAB CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)[C@H]3CCCO3)C1)C[C@@H]2C(F)(F)F 19530914 MPIRIYFEXQTVSV-SLBVQIDZSA-N 444.454 2.765 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)n1 19690134 LRARIQWOMAVKQI-GOSISDBHSA-N 438.919 2.934 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1Cl 20040435 NJARHNMFFHYUIJ-UHFFFAOYSA-N 426.878 2.686 0 40 IFAB COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20493063 RPVABGKZDZZVRS-JKSUJKDBSA-N 438.571 2.741 0 40 IFAB O=C(NCCc1ccccn1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 21899936 GVQMCGQKRWECTJ-UHFFFAOYSA-N 439.493 2.626 0 40 IFAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCN1CCOCC1)C(=O)NC1CCCC1 22358318 KGNOUWCFMUSENM-QGZVFWFLSA-N 444.601 2.658 0 40 IFAB COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 22981554 WQJHACVAEGBGEX-UHFFFAOYSA-N 449.294 2.775 0 40 IFAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606727 ZEZUDYNIUOBKFY-HNNXBMFYSA-N 435.571 2.927 0 40 IFAB COc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 24648780 GOJMPOFMEPYMPD-LJQCHSNASA-N 427.545 2.813 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(F)cccc2s1 27379291 SVONWKQMMTWVAA-UHFFFAOYSA-N 434.514 2.991 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc4nncn4n3)CC2)c(OC)c1 28107891 CHUBOAGUTMAQII-IBGZPJMESA-N 436.516 2.722 0 40 IFAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30531710 LIENTOMFNWIRGL-CZIMKVFHSA-N 446.481 2.711 0 40 IFAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 31473977 NCHAIDXPZUHXMQ-XMMPIXPASA-N 432.480 2.516 0 40 IFAB C[C@@]1(C2CC2)NC(=O)N(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1=O 32771175 XQXRZRQTCFHBCF-QFIPXVFZSA-N 425.558 2.606 0 40 IFAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 34857779 SZQPBJPYZSIVNV-PGRDOPGGSA-N 429.586 2.841 0 40 IFAB CCCN(CC1CC1)C(=O)Cn1c(=O)/c(=C/c2ccsc2)s/c1=C\C(=O)C(C)(C)C 34864764 UAPOKINDOGFJEG-OAMKOZAGSA-N 446.638 2.844 0 40 IFAB CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2NCCc2c[nH]c3ccccc23)cc1 36596554 JWSAZBZGNJQFGO-FGZHOGPDSA-N 446.594 2.502 0 40 IFAB O=C(COc1ccc(Cl)cc1/C=c1\sc2ncnn2c1=O)Nc1ccc(F)cc1 47154584 QMOOBCBRKBVBSA-PXNMLYILSA-N 430.848 2.509 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H](C)O1 48263967 DXTWXKAYWFCBQL-QWRGUYRKSA-N 443.875 2.919 0 40 IFAB O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccc(F)c(F)c1 49406058 ZAFZPYJECZJKSJ-UHFFFAOYSA-N 429.402 2.719 0 40 IFAB O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)N1CCCCCC1 56949780 JCGRRZYZRUIXKD-UHFFFAOYSA-N 443.519 2.883 0 40 IFAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccccc3)cc2c1 57642663 VMAVRRCOVVJGHE-UHFFFAOYSA-N 432.528 2.564 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)c(F)c1 58170311 GCOZTVQQKPUUQI-UHFFFAOYSA-N 438.503 2.681 0 40 IFAB Cc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)N2CCCC2)o1 58307641 VKUNGYINBAMXCC-HKUYNNGSSA-N 439.512 2.665 0 40 IFAB O=C(O)CCCOc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1F 60353782 UGHDUYKCXGHDBM-UHFFFAOYSA-N 436.461 2.997 0 40 IFAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1)c1cnccn1 67896613 LLMSPPRMGNCATL-ISKFKSNPSA-N 446.507 2.623 0 40 IFAB biogenic,in-vitro COCCn1nnn(-c2ccc(NC(=O)Cc3ccc(SC(C)C)cc3)cc2)c1=O 77100140 YBXGHJMJHNXVKH-UHFFFAOYSA-N 427.530 2.757 0 40 IFAB COc1ccc(/C=C/C(=O)N2CCc3nc(NC(=O)[C@H]4CCCO4)sc3C2)cc1OC 77192027 GIKCSIFVXGAPLF-DBWMJRBXSA-N 443.525 2.876 0 40 IFAB O=c1[nH]c2cc(Br)c(S(=O)(=O)NCCCn3ccc4ccccc43)cc2[nH]1 78967602 BSLCFWXNCHNERA-UHFFFAOYSA-N 449.330 2.942 0 40 IFAB Cc1oc(C)c(C(=O)O[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)c1Br 84008232 FCRJTNWWCKGJAU-IUODEOHRSA-N 429.311 2.564 0 40 IFAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cc(C)cc(C)c2)CC3)C1=O 96144430 IBPIKHCCOZWLBM-RUZDIDTESA-N 440.588 2.762 0 40 IFAB COc1cccc(-c2noc(CN(C)C(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 219140553 DWOKHIQOCJLDQP-UHFFFAOYSA-N 434.452 2.780 0 40 IFAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1 220093045 VESVVVPLBMRYJH-UHFFFAOYSA-N 426.441 2.855 0 40 IFAB COCCNS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1 223238813 ZKVUGSVBMDEGAV-UHFFFAOYSA-N 445.541 2.625 0 40 IFAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1C(C)C 223312099 BVXAQSZXIUGDNF-INIZCTEOSA-N 425.595 2.823 0 40 IFAB CSc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 223890234 JWXYUHFQDTXPJT-UHFFFAOYSA-N 448.566 2.894 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1cccc(OC)c1 225774116 UBBKYCGBPILQEA-OAQYLSRUSA-N 434.558 2.997 0 40 IFAB CN(C)CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225788267 CBLGKZHVKDVBEH-UHFFFAOYSA-N 439.990 2.995 0 40 IFAB S=C(NCc1ccc2c(c1)OCO2)Nc1nc(N2CCCC2)cc(N2CCCC2)n1 226011679 JJEQXRXCMXZYAJ-UHFFFAOYSA-N 426.546 2.892 0 40 IFAB O=C1CN(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C(=O)N1 257227944 FRRBQWHXUIDDBD-GOSISDBHSA-N 446.429 2.907 0 40 IFAB Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N[C@H]3Cc2ccccc2)c(=O)n1 257283314 OXTLGUMBTWADPC-FMLGWJCWSA-N 434.584 2.993 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccc(OC)c4)C[C@H]2C3)cc1 306141026 VJHNNBAGNOQEGT-MSOLQXFVSA-N 433.512 2.852 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1Cl 408581662 AAFGCWQOJRFUMT-NSHDSACASA-N 425.894 2.613 0 40 IFAB O=S1(=O)C[C@H](O)[C@@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 575422303 UUFDUFHSMBIELB-PMACEKPBSA-N 443.396 2.743 0 40 IFAB CN1c2cc(F)c(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2N(C)S1(=O)=O 575611438 FTDZMERTGZLPCU-GFCCVEGCSA-N 442.513 2.542 0 40 IFAB Cc1cc(NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)nn1-c1ccc(Cl)cc1Cl 579671296 XGNVIPMUQDJCRN-UHFFFAOYSA-N 444.278 3.559 0 40 IFAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)Cn2nc(C)nc2C)Cc2ccccc21 643565378 DLSPIYQVGRYDGZ-UHFFFAOYSA-N 440.592 2.638 0 40 IFAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCc3nn(C)c4ccccc34)cc2)C[C@H](C)O1 680568052 SWZHJWZLEHSNQD-IRXDYDNUSA-N 435.528 2.822 0 40 IFAB C[C@@H](Cc1ccccc1)n1cccc1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1638887688 PFGMSORSRMZIST-RXVVDRJESA-N 446.617 2.976 0 40 IFAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CC(=O)N2CC1CC1 1772596539 QMFVMWVSRAHFCC-UHFFFAOYSA-N 432.521 2.657 0 40 IFAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 720862 RMHWWLOVBNOWCC-MRXNPFEDSA-N 448.907 2.970 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 2643482 KKMSRIAJMDZNQO-ZDUSSCGKSA-N 431.286 2.700 0 40 IFAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 3538111 VHIUTUJFQLUPMP-CYBMUJFWSA-N 436.917 2.725 0 40 IFAB CN1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)NC4CCCCC4)c(=O)n2C3)CC1 4260367 VEODJJUQRHPIGF-ZWKOTPCHSA-N 427.593 2.816 0 40 IFAB biogenic,in-vitro COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 6283170 SUAOACBKXJPNLK-YWMUFLPLSA-N 438.532 2.524 0 40 IFAB COc1ccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 6301316 CLVKRGJZHKYOBZ-UHFFFAOYSA-N 430.526 2.727 0 40 IFAB C[C@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc2ccccc2c1 8899073 JGVZKFOEXMQTDJ-KRWDZBQOSA-N 439.537 2.663 0 40 IFAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1CCCOC 8989339 OFVHKYXDZUQMOQ-GFCCVEGCSA-N 425.942 2.961 0 40 IFAB COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccccc4F)n3N)[nH]n2)cc1 9542037 XRDSXDXYMGYXQJ-UHFFFAOYSA-N 439.476 2.928 0 40 IFAB CCn1c(CN2CCc3ccccc3C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9713039 KFGSQQFNUJUWHC-UHFFFAOYSA-N 440.569 2.635 0 40 IFAB Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 9860622 MHEKEANIQYUDEJ-OALUTQOASA-N 429.567 2.648 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)CCCC2 9909172 DFFNQWBMLTVKLK-MQNRADLISA-N 449.507 2.939 0 40 IFAB Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c4nc23)c1 10101619 PVUVVZRSWYIQIU-UHFFFAOYSA-N 435.528 2.987 0 40 IFAB Cc1nc2cc([C@H]3CCCN3C(=O)[C@@H](C)c3nn(C)c(=O)c4ccccc34)nn2c(O)c1C 12154032 IWJLVXZXNYYCHJ-IFXJQAMLSA-N 446.511 2.766 0 40 IFAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(-n2cncn2)cc1 12599141 LGIBRBFWJYZQRQ-RDJZCZTQSA-N 445.570 2.607 0 40 IFAB COc1nc(C)c(CC(=O)N2CCC[C@@H]([C@H]3CC(=O)c4cc(F)ccc4O3)C2)c(OC)n1 12736115 NJICHUJSFVFPCX-JLTOFOAXSA-N 443.475 2.756 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3ccccc3Cl)CC2)cc1 12813586 KVMYFGDCAGPBRK-UHFFFAOYSA-N 449.960 2.810 0 40 IFAB Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=S 13073447 VEDJVUDGCAODFJ-UHFFFAOYSA-N 443.598 2.723 0 40 IFAB COc1cc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc(OC)c1 13532996 GSOHLPPYAZMEQG-UHFFFAOYSA-N 441.465 2.522 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCC(N(C(C)=O)c4ccc(F)cc4)CC3)C2=O)cc1 14010950 TZERLAXXVDIVNY-JOCHJYFZSA-N 439.487 2.984 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 14233802 PKSNHCBRZWQYJY-QFBILLFUSA-N 437.496 2.872 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccccc1 14257293 ZAJLSEUBSNVJEO-CURYZJDOSA-N 434.517 2.807 0 40 IFAB COc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 16751888 PPIXPNLUTIJVSN-KRWDZBQOSA-N 449.525 2.551 0 40 IFAB O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccc2c(c1)OCCO2 17170221 QRTWCAVKEQNHAG-UHFFFAOYSA-N 448.551 2.812 0 40 IFAB COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3)CC2)cc1 19553469 DDCCHXQTCXVBKY-PKTZIBPZSA-N 434.544 2.772 0 40 IFAB CCn1ncc(Cn2cc(NC(=S)Nc3cnn(COCC(F)(F)F)c3)cn2)c1C 19635717 DLCQPVMGAZAYLF-UHFFFAOYSA-N 442.471 2.998 0 40 IFAB O=C1CCCN1CC(=O)N1CC[C@H](c2ccc3c(NCCc4ccccc4)n[nH]c3n2)C1 19705117 UYRGELMQVAGRFX-SFHVURJKSA-N 432.528 2.551 0 40 IFAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CCN(C)C2 19708831 ARSBRTYFIGMSAJ-HNNXBMFYSA-N 433.553 2.522 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19738962 IWNNTUKXGWSFJH-GOSISDBHSA-N 448.502 2.616 0 40 IFAB CN1CCN(C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)[C@@H](c2ccccc2)C1 19749462 JDIJSQAFRYRUIH-JOCHJYFZSA-N 435.503 2.719 0 40 IFAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2C[C@H]1C 20449205 RDRKPOHPPLPRFL-MRXNPFEDSA-N 431.533 2.889 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)c1 22230065 IYOUAJPTKFIEBU-OAQYLSRUSA-N 443.569 2.506 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 22928934 WVTDJTXGNQEPDZ-IBGZPJMESA-N 426.536 2.876 0 40 IFAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 26109510 MPTVPPAABCONFG-BBRMVZONSA-N 435.373 2.830 0 40 IFAB O=C1CN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c2ccccc2N1 30866901 AOMSVPWDOIUBSL-IBGZPJMESA-N 441.553 2.646 0 40 IFAB CC[C@H](C)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1)C(=O)OC 36593649 QATGDIKBGJSNQD-GMVOTWDCSA-N 430.505 2.672 0 40 IFAB biogenic Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855287 GIEIPMUNPCGPOT-OXQOHEQNSA-N 430.526 2.941 0 40 IFAB O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1cc(F)c(F)c(F)c1 44916761 QNLGDRDJIFDVGG-UHFFFAOYSA-N 443.429 2.626 0 40 IFAB O=S(=O)(c1c(F)cccc1F)N1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1 58326522 CKKXGWRMPGUKJM-UHFFFAOYSA-N 436.459 2.931 0 40 IFAB CCc1ccc(NC(=O)Cn2nc3n(Cc4ccco4)c(=O)c4sccc4n3c2=O)cc1 65305506 RVNQOHLUHPPICS-UHFFFAOYSA-N 449.492 2.715 0 40 IFAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)C1 67226257 VSCTXDPTQWRAAG-MRXNPFEDSA-N 425.558 2.838 0 40 IFAB O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccccc1SCc1cscn1 69924405 RVADCJYLDFJYAB-UHFFFAOYSA-N 429.571 2.950 0 40 IFAB CCN1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Nc3cccc(Cl)c3)CC[C@@H]12 96145327 QUQRFCIDYMHJKI-DENIHFKCSA-N 434.968 2.907 0 40 IFAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220220618 FTFIVQCDIYEJAL-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222934572 XNSQEMLORNZKPV-HXUWFJFHSA-N 445.585 2.623 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 223002974 UIRLTZGVXDPJLW-UHFFFAOYSA-N 433.482 2.948 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(SC(C)C)s1 225297372 JDGFTULDARZTOW-UHFFFAOYSA-N 442.588 2.620 0 40 IFAB O=C(Cn1ccc(O)nc1=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257234825 GVGKKRZBZZELJS-OAHLLOKOSA-N 428.876 2.587 0 40 IFAB CCc1nc2ccccc2n1CCC(=O)N(C)C[C@]1(O)CCCN(c2cc(C)ncn2)C1 257246598 IUVKFBMCVGOJFC-XMMPIXPASA-N 436.560 2.577 0 40 IFAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CC(=O)Nc2ccn(C)n2)c1 257293844 QRKHYJARMCBBLG-YDHSSHFGSA-N 425.533 2.632 0 40 IFAB Cn1c(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc(=O)n(C)c1=O 257312711 UPFSYIJNVFSWJZ-KRWDZBQOSA-N 442.903 2.684 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)N3CCC(n4nnc5ccsc5c4=O)CC3)c2O1 390828717 BRVMLWQYXLXVDG-UHFFFAOYSA-N 440.525 2.809 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408652869 DFLGQQQAPHJESD-HPSDOGTCSA-N 437.279 2.671 0 40 IFAB CNS(=O)(=O)N1CCC(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CC1 573809227 XWDWHZSVPARUFV-UHFFFAOYSA-N 439.484 2.550 0 40 IFAB CN(C)CCOc1ccc(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)cc1 585274081 VTANSASWNUEIAY-QHCPKHFHSA-N 434.964 2.923 0 40 IFAB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 1077698 GXVGIPGYMOLXTQ-MRXNPFEDSA-N 430.917 2.831 0 40 IFAB CC(=O)O[C@@H](NC(=O)N[C@H](OC(C)=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1590009 QNIZOVDYAFMFEF-PHDIDXHHSA-N 438.906 2.804 0 40 IFAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc(C)c1C 8705852 VTHKOEIIOUXIMO-NRFANRHFSA-N 445.585 2.787 0 40 IFAB Cc1ccc(Cn2ncc3c(C(=O)N4CCN(c5ncccn5)CC4)cc(C)nc32)cc1 8744909 OPCQLMDHSQQFBL-UHFFFAOYSA-N 427.512 2.849 0 40 IFAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 8942432 HNSVJFBSKGRJPK-UHFFFAOYSA-N 428.518 2.775 0 40 IFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 8994582 YDAKGAFTAHSFTI-UHFFFAOYSA-N 443.500 2.503 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1 9095634 KMAURBKBNOCNGY-KRWDZBQOSA-N 447.557 2.760 0 40 IFAB CCOc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 9243356 VRPPOWKOEPAULJ-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB COc1ccccc1-c1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n1C 9317629 JKAUKVNEKXSVPS-UHFFFAOYSA-N 443.504 2.819 0 40 IFAB COc1cccc(OC)c1C(=O)Nc1nnc(SCC(=O)Nc2nccs2)s1 9368173 DPOHRXNCDDUBIY-UHFFFAOYSA-N 437.528 2.995 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)CC2 9431208 CDCNVBIDCZGNFT-FQEVSTJZSA-N 444.553 2.750 0 40 IFAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Nn3cnc4ccccc43)CC2)c1C 9514163 FYBVMDZZYINWII-UHFFFAOYSA-N 441.557 2.940 0 40 IFAB Cn1cc(C(=O)NCc2c(F)cccc2F)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 9820090 VQRDKKGLIUDLBV-UHFFFAOYSA-N 444.825 2.879 0 40 IFAB CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccc2c(c1)OCO2 9987680 FCXDBZKSQWYTPW-UHFFFAOYSA-N 425.393 2.811 0 40 IFAB CC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 10271898 BEXFGYIKJCNZTM-ZDUSSCGKSA-N 427.892 2.867 0 40 IFAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1OC 12143384 YJCRAKIDWKEKCX-QHCPKHFHSA-N 440.519 2.980 0 40 IFAB CCCn1c(=O)n(CC(=O)c2ccc(Cl)cc2)c2c(C(N)=O)nc(-c3ccco3)nc21 12242257 ZYAMKOBXKBXHHG-UHFFFAOYSA-N 439.859 2.898 0 40 IFAB C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)Nc1sccc1C(N)=O 12774213 RXHQPZPXTWONPI-HZMBPMFUSA-N 445.526 2.607 0 40 IFAB Cc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 12910722 ZSNFVCQZZJNHMT-UHFFFAOYSA-N 430.526 2.611 0 40 IFAB Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCC3 14234935 ACWGHKVQDSYEFU-AWEZNQCLSA-N 425.510 2.917 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCC(C)CC1 14399916 YFOMTCYDTCQZIS-UHFFFAOYSA-N 446.525 2.775 0 40 IFAB C[C@H](c1nnc(SCC(=O)NCc2ccccc2)n1C)N1C(=O)COc2ccccc21 15019106 GYPCIHCNNYCIMK-OAHLLOKOSA-N 437.525 2.710 0 40 IFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 16104256 XBAMMEPXCNYVHW-CQSZACIVSA-N 428.388 2.939 0 40 IFAB CCOCCCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 17306890 RGFQFXAQHYRGBB-HNNXBMFYSA-N 446.529 2.516 0 40 IFAB Cc1ccc2cc(C)c3nn(CCNC(=O)c4[nH]c5c(c4C)C(=O)CCC5)c(=O)n3c2c1 19234287 FPELXERZZFRFJY-UHFFFAOYSA-N 431.496 2.852 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2nc(C)n3c(cc4ccsc43)c2=O)c1 19288298 XGDLJISXGKGXFH-GFCCVEGCSA-N 426.498 2.914 0 40 IFAB O=S1(=O)CC[C@@H](S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)C1 19336663 JLXGPDMDOXBTIA-SJLPKXTDSA-N 442.534 2.915 0 40 IFAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19696760 DPSBBGVBWHNCNC-QGZVFWFLSA-N 441.509 2.703 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O 19763448 BRCZZLKSLYDSFF-INIZCTEOSA-N 442.947 2.992 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3ncc(C(N)=O)c(C)n3)nn2C)cc1 19764571 LGGLHMDALVTTGJ-LJQANCHMSA-N 434.500 2.660 0 40 IFAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)N1CCCCC1 19842896 JDIZMWQRKYUVDW-UHFFFAOYSA-N 435.981 2.858 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1OC 20013081 HJWVHHJJBRADSM-AWEZNQCLSA-N 438.571 2.924 0 40 IFAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 20044086 AXNHHYJUURIGMR-UHFFFAOYSA-N 428.470 2.612 0 40 IFAB Cn1c(CCN2CCOCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 20518109 HWFMZSNDFZSHNW-UHFFFAOYSA-N 434.949 2.902 0 40 IFAB CCn1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236864 CQSGDUFRCQOYNN-UHFFFAOYSA-N 439.415 2.940 0 40 IFAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 22653837 JBQVTNNZNMOZKA-UHFFFAOYSA-N 448.907 2.812 0 40 IFAB COc1cc(NC(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc(OC)c1OC 22766976 QPOXRPGSORPGBN-KRWDZBQOSA-N 434.562 2.884 0 40 IFAB CCOc1ccc(-c2noc(CN3C(=O)COc4ccc(S(=O)(=O)CC)cc43)n2)cc1 23126632 SFSFTNNXBKBZGT-UHFFFAOYSA-N 443.481 2.855 0 40 IFAB CCOc1ccc(-n2ncc(C(=O)O[C@@H](C(=O)N3CCCC3)c3ccccc3)c2C)nn1 23572233 ZNIYYCJBCIZNEK-OAQYLSRUSA-N 435.484 2.890 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(Cl)c1F 32404476 IUQFHFJPEWZDQR-UHFFFAOYSA-N 428.869 2.900 0 40 IFAB C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 32863159 NUZNEFMXHOKLTM-INIZCTEOSA-N 429.542 2.755 0 40 IFAB CCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NCCCOC 33170741 VACWAGWMLUYYLF-UHFFFAOYSA-N 442.537 2.549 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 35400024 LSWIWYBLZFPMBE-KRWDZBQOSA-N 426.542 2.689 0 40 IFAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(N)=O)ccc12 35686244 SCORYBLOSLYSHT-HXUWFJFHSA-N 434.492 2.856 0 40 IFAB biogenic CC(C)CN1CCO[C@H](CNC(=O)Nc2cc3c(cc2Br)OCCO3)C1 40023966 KJZMXBIPLCQKAM-CYBMUJFWSA-N 428.327 2.699 0 40 IFAB Cn1c(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc2ccccc21 44443747 LMSQGWWQHFGBDS-UHFFFAOYSA-N 440.447 2.983 0 40 IFAB COc1ccccc1CN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408736 OOQAVFDUCBBJBC-LEWJYISDSA-N 428.554 2.833 0 40 IFAB Cc1oc(C2CCN([C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 72304918 BJHWLLRTXKBNFS-OXJNMPFZSA-N 445.585 2.863 0 40 IFAB O=C(OC1CN(c2nc3ccccc3s2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 77101010 BVKLBLJPAGKRQH-OAHLLOKOSA-N 449.579 2.943 0 40 IFAB C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C(=O)C(=O)NC2CC2)CC1 79098069 NYFWEWZFVZQWTI-NSHDSACASA-N 438.315 2.527 0 40 IFAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](C)(O)c3ccc(-c4ccccc4)cc3)cc21 96025775 OFTJKHBKEXBRBY-HSZRJFAPSA-N 438.505 2.985 0 40 IFAB O=C(NCCN1CCOCC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96155420 HAAKTZIJICZMFN-UHFFFAOYSA-N 433.487 2.993 0 40 IFAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)nc2ccc(Br)cn2c1=O 96220967 PPNCASVTYKDXHN-GFCCVEGCSA-N 449.257 2.572 0 40 IFAB biogenic COc1cccc(NC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(C)C)c1 135648762 IWFLRMVAYVMQBI-JKSBSHDWSA-N 438.528 2.649 0 40 IFAB Cc1ccc(CSCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219431764 YKFHSWNPALLMMS-UHFFFAOYSA-N 432.567 2.969 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c1 224793818 MCIHQUSUEJGYIG-SFHVURJKSA-N 445.585 2.762 0 40 IFAB CN(C)c1ncc(-c2ccc3c(c2)OCCO3)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257220805 DMFIODOVPDHBDP-SFHVURJKSA-N 448.527 2.584 0 40 IFAB COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H]3CCC[C@H](Cc4cncnc4)[C@H]3C2)c1 257293203 QONWGDKIUVOIPK-SFHLNBCPSA-N 437.544 2.973 0 40 IFAB COc1ccc(C2=NO[C@](C)(C(=O)N3CCOC[C@@H](Cc4nccn5cccc45)C3)C2)cc1 257325403 WSUOIDHWGBQNFB-BVZFJXPGSA-N 448.523 2.944 0 40 IFAB CCOc1cccc(N(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)c1 260845645 VMCFYTCATBMKHC-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408588190 CVVUHAXXJYAANE-OAHLLOKOSA-N 434.514 2.814 0 40 IFAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccccc3OC)c2=O)=N1 409038980 QDYKPZMWVIFPED-LUDQZLGDSA-N 434.517 2.807 0 40 IFAB COc1cc([C@@H](CC(=O)NCc2c(C)n[nH]c2C)c2oc(C)cc(=O)c2O)ccc1O 524731857 MRPSRXXOWHFRLY-OAHLLOKOSA-N 427.457 2.546 0 40 IFAB biogenic O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1ccncc1 524733762 NPRHRJCZSJZSEB-QHCPKHFHSA-N 426.476 2.945 0 40 IFAB NC(=O)[C@@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c23)CCN1 1165071470 HBICBJSPOMSPKX-HNNXBMFYSA-N 442.614 2.669 0 40 IFAB CCOC(=O)c1sc([C@H]2CCN(S(=O)(=O)c3cn(CC(C)C)cn3)C2)nc1C 1194138138 HHUIBHJGFFRFIH-AWEZNQCLSA-N 426.564 2.659 0 40 IFAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(S(=O)(=O)c3ccccc3)C1)C2)c1ccccc1 5437966 SHLCECVWDZXWOE-PKOBYXMFSA-N 449.532 2.909 0 40 IFAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(N)=O)n2-c1ccc(OC)cc1 6153373 IYTKYNNQVDQHEE-UHFFFAOYSA-N 448.570 2.642 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1 8694105 YILIWXWIPSLIPS-UHFFFAOYSA-N 435.556 2.676 0 40 IFAB Cc1ccc(N2CCn3c2nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c3=O)cc1 8849690 YFFQNYRWJFHFSJ-UHFFFAOYSA-N 445.401 2.523 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(-c2ccccc2)cc1 8895315 LUWUJQLUIQWKQS-UHFFFAOYSA-N 437.521 2.939 0 40 IFAB CCn1c(CN(C)CC(=O)Nc2cccc(F)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 9126464 HYXVYMHCOWAERD-UHFFFAOYSA-N 447.536 2.516 0 40 IFAB COCCCN1C(=O)c2ccc(C(=O)OCc3nnc(-c4cccs4)o3)cc2C1=O 9254931 ULKWIROLRGWQLH-UHFFFAOYSA-N 427.438 2.788 0 40 IFAB CN(CC(=O)NCc1ccco1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 9468828 QMSQSXZVCFLPKY-UHFFFAOYSA-N 425.514 2.605 0 40 IFAB CC(=O)NCCc1ccc(C(=O)COC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)cc1 9513513 JNYXGSUGVQAPRD-UHFFFAOYSA-N 428.485 2.915 0 40 IFAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 9516819 XBDHEJJKBDFMKD-LBPRGKRZSA-N 441.912 2.924 0 40 IFAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)C1 9635051 WTADAIOXZGONIQ-DLBZAZTESA-N 433.574 2.837 0 40 IFAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@@H]1CCCc2ccccc21 9665233 UNIMAFUPUCVDDN-JOCHJYFZSA-N 445.560 2.716 0 40 IFAB Cc1cc(S(=O)(=O)N2CCN(C(=O)NCc3ccco3)CC2)ccc1Br 9866993 YRYSKTRQYQXKGG-UHFFFAOYSA-N 442.335 2.567 0 40 IFAB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9951561 YJYWURYYWCRXTG-JTQLQIEISA-N 437.934 2.892 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cc1 9958402 LAPLHYBLMHXGSJ-UHFFFAOYSA-N 430.404 2.956 0 40 IFAB COc1cccc(CNC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)c1 10220807 CSJFWMHIEGLWGY-UHFFFAOYSA-N 428.286 2.998 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc(C)c1 10300942 MXDRCVACCUULMC-LJQANCHMSA-N 432.542 2.803 0 40 IFAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O 11905024 HOFJSAZRZFKUQE-LLVKDONJSA-N 448.444 2.819 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1C 12529541 IIRIJUZGPNCQSG-AWEZNQCLSA-N 432.498 2.900 0 40 IFAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548410 FBBPETIDHUSDPS-ZDUSSCGKSA-N 431.445 2.977 0 40 IFAB CN1C(=O)N(CC(=O)Nc2ccccc2I)C(=O)C12CCCCC2 12787611 ZTLGIAVLHWEXIU-UHFFFAOYSA-N 441.269 2.827 0 40 IFAB Cc1cc(/C=C/C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C)n1C1CC1 12948378 FWQQHQPCBVDSLY-BWAMLYQTSA-N 435.524 2.964 0 40 IFAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)S1 13120772 RTDROMJXMZDLKY-ZDUSSCGKSA-N 430.452 2.647 0 40 IFAB CC[C@H](c1nnnn1Cc1ccco1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 13495987 PRAUIDBIGSMLSR-HXUWFJFHSA-N 436.516 2.800 0 40 IFAB CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 13893051 FYNBYTRDJAHOBT-UHFFFAOYSA-N 430.526 2.684 0 40 IFAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C12CC3CC(CC(C3)C1)C2 15314434 OYXOEWHWYKRPBZ-QZGUCNERSA-N 445.629 2.957 0 40 IFAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)c(OC)c1 15858440 RQHSDVWESDBQMT-LLVKDONJSA-N 438.889 2.922 0 40 IFAB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C[C@H]1COc2ccccc2O1 16045895 OVONCUNOJSHCIE-AWEZNQCLSA-N 426.498 2.585 0 40 IFAB COc1ccccc1N1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 16444120 GRLAMCZTTRXEGM-UHFFFAOYSA-N 429.318 2.788 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)CSc1n[nH]c(=O)c2cc(-c3ccco3)nn12 16843756 GAOOAOZRDKIDFO-UHFFFAOYSA-N 439.453 2.585 0 40 IFAB COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)cnc32)cc1 16955139 SEBMDSYWRZVPPL-UHFFFAOYSA-N 444.373 2.643 0 40 IFAB CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(=O)C1CCC1)CC3 19085633 GSYAMDUAGKYRRN-IBGZPJMESA-N 425.533 2.829 0 40 IFAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337617 IFGKJWIXSSVKKN-FQEVSTJZSA-N 435.528 2.607 0 40 IFAB Cc1c(C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)oc2ccccc12 19566107 QIGLESSXHJAWBI-AWEZNQCLSA-N 439.497 2.602 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)c2N)cc1 19583497 AROKTBIUBCODSP-LJQANCHMSA-N 447.539 2.870 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744162 VLLLMQOHCFEDOD-LJQANCHMSA-N 434.475 2.574 0 40 IFAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 19824129 CIZLNRXSMUVEFP-UHFFFAOYSA-N 430.618 2.954 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccccc1 19946086 SABJNMNAKYPDBJ-UHFFFAOYSA-N 430.267 2.696 0 40 IFAB CCCN1CCN([C@H](c2cc3cc(CC)ccc3[nH]c2=O)c2nnnn2C(C)(C)C)CC1 19972933 CDJVAZWYFANRQX-OAQYLSRUSA-N 437.592 2.949 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC 20017207 JXICBKGKSCEHNR-MRXNPFEDSA-N 436.505 2.560 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)cc1 20732922 RQSVXQILTGGTCZ-KRWDZBQOSA-N 426.469 2.520 0 40 IFAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 21631924 ILEPQWKJWGAXHG-UHFFFAOYSA-N 449.530 2.702 0 40 IFAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(Cc2cccc3ccccc23)CC1 24573634 OVSMPSJOTBHDPU-UHFFFAOYSA-N 430.487 2.977 0 40 IFAB O=C(Cc1csc(-c2ccco2)n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 24615935 UGRXCMKBEUIPQQ-UHFFFAOYSA-N 435.502 2.618 0 40 IFAB COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cccc(F)c1F 27437497 OHLWEUDWMSVPMO-QFIPXVFZSA-N 430.407 2.634 0 40 IFAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1nnc(SCc2ccccc2)s1 27913081 GNNXEJIQAMHKGO-UHFFFAOYSA-N 425.499 2.824 0 40 IFAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1cnc2c(C)cccc2c1=O)CC3 29159919 DARPUIATYMBJDY-UHFFFAOYSA-N 430.464 2.558 0 40 IFAB COC[C@H](C)NC(=O)c1nc(-c2ccccc2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616458 XWCIARNQBSOOBS-WMLDXEAASA-N 442.541 2.531 0 40 IFAB NC(=O)N[C@@H](CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(Br)c1 32995819 WBRNOGURXGFMRV-CABCVRRESA-N 434.290 2.505 0 40 IFAB C[C@H](NC(=O)c1ccco1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 33527840 IOFLDUPJZUHZNG-JASJWYONSA-N 447.900 2.904 0 40 IFAB C[C@H]1Cc2cc(-c3cc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)no3)ccc2O1 35589953 QLWFWRXCSBRHQB-AWEZNQCLSA-N 441.509 2.845 0 40 IFAB O=C(NC[C@@H](c1cccs1)N1CCCC1)C1=C(c2ccccc2)S(=O)(=O)CCO1 36360526 MLHMOLCMTQFIFO-KRWDZBQOSA-N 432.567 2.815 0 40 IFAB COc1cccc(-c2cc(C(=O)N3CCN(Cc4nc5ccccc5n4C)CC3)[nH]n2)c1 49372105 DMDIMTDRRQCFIY-UHFFFAOYSA-N 430.512 2.930 0 40 IFAB COc1cc(OC)c(NC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1Cl 51316873 WLZMSHCHZWIGNI-UHFFFAOYSA-N 445.888 2.929 0 40 IFAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 58403078 XZJCJEVZFAEKST-MSOLQXFVSA-N 429.473 2.564 0 40 IFAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C2)NC(=O)c2ccccc2N1 72326968 RGUXRXXMCULTIU-JKDBKWGBSA-N 446.555 2.503 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCc1ncc(C)cn1 89702263 NLKLRNVDRNNJRX-UHFFFAOYSA-N 430.464 2.562 0 40 IFAB Cc1ccc(C)n1C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 95393925 HGUCVTSHUNVTSJ-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)COc2ccccc2)CC3)C1=O 96144334 TZQVFYBDRZWQFS-RUZDIDTESA-N 427.589 2.884 0 40 IFAB C[C@@]12CC[C@H](C[C@@H]1C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C2)NC(=O)c2ccccc2N1 100117314 RGUXRXXMCULTIU-YHPCMVROSA-N 446.555 2.503 0 40 IFAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)C1 101626501 BFOBFKLWCPQKMC-PBPSECFOSA-N 427.501 2.653 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH]c(N3CCC[C@@H](C)C3)nc(=O)c21 139085450 ATGIIJGGSJWIQH-DGCLKSJQSA-N 445.907 2.733 0 40 IFAB Cc1cccc(N([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1 220127045 SNNOHUUTGBFTNI-KRWDZBQOSA-N 442.541 2.586 0 40 IFAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 223307969 GOQWFYOZVCYVNE-UHFFFAOYSA-N 434.514 2.911 0 40 IFAB C[C@@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224509639 NWPLAKVVLROGCA-KRWDZBQOSA-N 433.549 2.892 0 40 IFAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 224886887 UWNARKHGKWIVQG-UHFFFAOYSA-N 444.431 3.000 0 40 IFAB COc1ccccc1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225537658 GKEJQCARMKQSGC-SFHVURJKSA-N 434.533 2.984 0 40 IFAB Cc1noc(C)c1CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257281838 ORFBKVDSXATGGG-SONWIMMPSA-N 441.572 2.524 0 40 IFAB Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4cccc(C)c4)CC3)C2)c1 585286057 HDYIIFLKKJDPJT-SANMLTNESA-N 440.584 2.777 0 40 IFAB CCn1c(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 8898985 MIJIRMQETSFWSE-MRXNPFEDSA-N 446.554 2.870 0 40 IFAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 8937035 OFKMYEXWYVBVCT-QFIPXVFZSA-N 429.423 2.640 0 40 IFAB CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)[C@H]1c1ccc(OC)cc1 9056600 ORMCEUQZDIQIJP-RBBKRZOGSA-N 434.500 2.999 0 40 IFAB CC[C@]1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O 9060561 XYYKDTAQDAWORL-OAQYLSRUSA-N 429.498 2.530 0 40 IFAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(Cc2ccc(F)cc2)CC1 9062722 RTQYIZGDIWJEAS-UHFFFAOYSA-N 445.560 2.877 0 40 IFAB Cc1c(-n2c(S[C@H]3CCOC3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 9317123 GBZLQBMURPGDPN-SFHVURJKSA-N 448.504 2.591 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1 9518562 QKCUJJAPLCKZHZ-UHFFFAOYSA-N 425.470 2.689 0 40 IFAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 9701664 WGSAIKOUGSPWDV-UHFFFAOYSA-N 445.453 2.667 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 9824004 CQGQJGQLLMSIRN-UHFFFAOYSA-N 429.484 2.572 0 40 IFAB Cc1ccccc1COc1cn(CC(=O)N2CCN(c3ccccc3)CC2)c(CO)cc1=O 12231243 PFDIRKXXPXQTLJ-UHFFFAOYSA-N 447.535 2.577 0 40 IFAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)C2=O)cc1 12547780 FTFYSZRXZOVCDD-GYCJOSAFSA-N 447.495 2.525 0 40 IFAB CCOc1ccccc1N1C[C@@H](C(=O)N(CC)CC(=O)NCc2cccs2)CC1=O 13004038 DCDRDXDUAGKHGO-INIZCTEOSA-N 429.542 2.665 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC[C@H](c3c(F)cccc3Cl)N(C)C)ccc21 13116912 BTPLMGXJZZYTJY-QGZVFWFLSA-N 432.883 2.535 0 40 IFAB COc1ccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC 13372593 OKIJXRJWFMQZJO-FAKFISEUSA-N 436.501 2.647 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 15615355 XOXMVQCSZFWZNQ-GOSISDBHSA-N 430.526 2.927 0 40 IFAB Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1S(=O)(=O)N(C)C 17577772 KLBDIDSJZWPFFI-HXUWFJFHSA-N 431.539 2.813 0 40 IFAB CN1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)C(C)(C)N)CC1 19080883 IWRBDSYVHNRBMV-CRAIPNDOSA-N 440.510 2.940 0 40 IFAB CCS(=O)(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)CC3)CC1 19740113 HXQHQHXJEIEVNH-UHFFFAOYSA-N 446.548 2.933 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19741367 JOMJZHUVBOUUAO-LJQANCHMSA-N 428.558 2.794 0 40 IFAB CCN1CCN(C(=O)C[C@@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)CC1 19936215 SZEVXHCCQOTCTB-QFIPXVFZSA-N 445.585 2.611 0 40 IFAB COC(=O)c1cccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1C 22392058 MQEMPXFOBCOZHN-UHFFFAOYSA-N 434.514 2.974 0 40 IFAB CCOC(=O)C1CCN([C@@H](c2ccc(OC)c(OC)c2)c2sc3ncnn3c2O)CC1 22609353 FJCAXUANDDFVLZ-KRWDZBQOSA-N 446.529 2.878 0 40 IFAB CCCNC(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(C)C 23277502 TVZTVPNEJJWVRV-RISCZKNCSA-N 439.361 2.754 0 40 IFAB CC(C)CC(=O)N1CCN([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 24928155 OEGALKBGWUMAMW-AWEZNQCLSA-N 440.466 2.569 0 40 IFAB O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)N[C@H](CO)Cc1ccccc1 33584589 XZIKOCNHAJPGGI-UZNZLNSGSA-N 428.485 2.972 0 40 IFAB CC[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856897 GMWGFYDAMZESPY-OXJNMPFZSA-N 448.541 2.888 0 40 IFAB C[C@@H]1C[C@@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)C1 49400243 VFFCURIWCGHADR-CHWSQXEVSA-N 432.887 2.805 0 40 IFAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(F)c(F)c4)CC3)nn2)cc1 49406002 XRPFWCPIDBLAQJ-UHFFFAOYSA-N 425.439 2.889 0 40 IFAB CCOc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(OC)c4)CC3)n2)cc1 54146950 JUXPTLCDXWMABB-UHFFFAOYSA-N 435.532 2.927 0 40 IFAB CCc1ccc(N2C[C@H](C(=O)N3CCN(CCCOCC(F)(F)F)CC3)CC2=O)cc1 60100849 JYJQSFBWZNAHTN-GOSISDBHSA-N 441.494 2.715 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1csc(-c2nc[nH]n2)n1 72280539 UAQHNWRUFCZZQB-UHFFFAOYSA-N 435.307 2.710 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(Cc3ccco3)CC2)Nc2ccccc21 72327031 HXLRSHTYWMWOBI-FOUAFEINSA-N 434.540 2.912 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccn3)n2)cc1C 72376359 VQLMBWPVUSVYKY-QGZVFWFLSA-N 426.502 2.853 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cc(-c2cccs2)n[nH]1 77154557 PPXPMXLNFUZWAG-UHFFFAOYSA-N 435.556 2.697 0 40 IFAB COc1cccc(N2C[C@H](C(=O)NCCc3csc(-n4nc(C)cc4C)n3)CC2=O)c1 90609334 CCSWUZNYPWUVHA-MRXNPFEDSA-N 439.541 2.666 0 40 IFAB O=C1N[C@H](CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(O)=Nc2ccccc21 95475641 RPUSFIQCDSBMLH-MRXNPFEDSA-N 447.417 2.539 0 40 IFAB CC(C)CS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242288 HDTPPOABLGTERO-HXUWFJFHSA-N 447.645 2.657 0 40 IFAB CC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@@H]1O[C@]13[C@@]1(C)CC[C@H](O)C[C@]14C=C[C@]23[C@@H](C(=O)O)[C@H]4C(=O)O 118936449 CPYNMESYXQPXTD-UPLXEQOSSA-N 444.524 2.658 0 40 IFAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC[C@@H]2CCCO2)cc(OC)c1O 199407190 QRIAPRCFJJKGKN-VQTJNVASSA-N 426.513 2.632 0 40 IFAB CN(CCCC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccccc1 219715204 WSZLMJJAUYSIAJ-UHFFFAOYSA-N 429.542 2.962 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCc4ccccc43)c2)CC1 220010459 LYLYSSXPZMLZBP-UHFFFAOYSA-N 433.961 2.869 0 40 IFAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c21 223051827 BSYQFDZSVVEYNE-KFWWJZLASA-N 439.516 2.634 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 223517659 NVBOKRYAIYJKFF-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 224229740 PAWZTNRZYKLCBI-UHFFFAOYSA-N 440.949 2.945 0 40 IFAB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(Br)cc1 224738918 JHXIIAQASHFCCI-UHFFFAOYSA-N 442.287 2.604 0 40 IFAB COCCN1C(=O)Cc2c(C)nc([C@]3(C)CCCN(C(=O)c4ccccc4F)C3)nc21 257202503 AMDLLPFOGQIQNE-HSZRJFAPSA-N 426.492 2.654 0 40 IFAB O=C1NCCN(C(=O)c2n[nH]c(=O)c3ccccc23)[C@@H]1Cc1ccccc1-c1ccccc1 257345014 ZZOQESKBKFKWAC-JOCHJYFZSA-N 438.487 2.773 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)NC[C@H]1CCCO1 409199964 GBRWOUFCZYOEGP-HRYODUOUSA-N 425.304 2.781 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CCC(=O)NCCOc1ccccc1OC)C=C2 524735645 PMXCFWHHQNWPHM-UHFFFAOYSA-N 440.496 2.653 0 40 IFAB O=S1(=O)CC[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)C1 575420581 DDBLADWKBQVPRT-INIZCTEOSA-N 444.372 2.827 0 40 IFAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254651 BWCVQCBKNKOWJG-CYBMUJFWSA-N 433.436 2.920 0 40 IFAB C[C@H](Sc1nc(CC(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cs1)C(N)=O 1531363574 GXXKJWLGVCPYML-VIFPVBQESA-N 437.497 2.969 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(Cc4noc(C5CCOCC5)n4)CC3)cnc2c1 1848669805 KHRPAIVEPLSAGN-UHFFFAOYSA-N 439.516 2.594 0 40 IFAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)Nc3cccc(C)c3)c(=O)n2n1 1889096880 WKDGXPKJOLFAJG-UHFFFAOYSA-N 435.484 2.961 0 40 IFAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc4sc(=O)oc4c4ccccc34)ccc21 1320765 CUXSMMLJNXNILV-UHFFFAOYSA-N 441.490 2.999 0 40 IFAB O=C(Nc1ccc(-c2nnn(CC(=O)N3CCc4ccccc4C3)n2)cc1)c1cccnc1 1339617 YJNYVSZCFBOLTN-UHFFFAOYSA-N 439.479 2.572 0 40 IFAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccccc2F)CC1 8593703 TXXMYSJFAXIDHA-MRXNPFEDSA-N 437.562 2.637 0 40 IFAB O=C(COc1ccc(-c2ccccc2)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9112888 YEEGLBSJSOXUPW-IRLDBZIGSA-N 429.538 2.927 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc4ccc(C)nc34)CC2)cc1 9120428 VRMBZQGDUFUBJS-UHFFFAOYSA-N 439.537 2.764 0 40 IFAB CCOC(=O)C1=C(COc2ncnc3ccccc23)NC(=O)N[C@@H]1c1ccc(OC)cc1 9128209 XELSWMRZZCYRMN-HXUWFJFHSA-N 434.452 2.889 0 40 IFAB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263675 JQAVCSQUAXOELF-UHFFFAOYSA-N 443.460 2.595 0 40 IFAB CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 9304040 GOYOQZWWRKDEGJ-LLVKDONJSA-N 431.547 2.758 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(F)cc1 9342878 KRLUUFVAMKTDKQ-UHFFFAOYSA-N 429.311 2.616 0 40 IFAB Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCC1 9356548 LNCRBJMDAVBEBI-UHFFFAOYSA-N 431.533 2.881 0 40 IFAB O=c1cc(Cc2nnc(SCc3ccc(F)cc3)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 9382052 CDSMMFDJKDCLLF-UHFFFAOYSA-N 427.436 2.805 0 40 IFAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCCC2)cc1 9469775 RLNUYFJZZFWPQL-UHFFFAOYSA-N 445.541 2.755 0 40 IFAB COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)C(C)C)c2)cc1 9510185 OKDNMUJAJBODQK-UHFFFAOYSA-N 433.530 2.927 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2ccccn2)cs1 9633430 WNIGGPZNBHBVQV-UHFFFAOYSA-N 444.538 2.787 0 40 IFAB CCN(CC(=O)NC(C)C)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9666558 CAPMNIHVMFMOAA-SDNWHVSQSA-N 435.590 2.638 0 40 IFAB O=C(CSc1nnc(-c2ccco2)o1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 9704162 RAPSKKQZXMUPOC-AWEZNQCLSA-N 425.532 2.770 0 40 IFAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)C1 9805527 LSQXEIAJPUYUEJ-BEFAXECRSA-N 448.878 2.867 0 40 IFAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 9992350 NTYLVPDNSZXZDL-XMMPIXPASA-N 435.480 2.594 0 40 IFAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 10253486 DLMWAYQNDULZMJ-UHFFFAOYSA-N 429.454 2.942 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2ncn3nc(-c4ccc(Cl)cc4)cc3c2=O)c1 11666400 IKBGJNVYDWRABX-UHFFFAOYSA-N 439.859 2.867 0 40 IFAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029823 HCRCFROMUAOMOU-INIZCTEOSA-N 447.456 2.919 0 40 IFAB COc1ccc(-c2cc3nc(CCNC(=O)c4cc5ccccc5c(=O)[nH]4)nn3cn2)cc1 12234742 FUDAVEAYVDDSHJ-UHFFFAOYSA-N 440.463 2.614 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 12413994 GEHVBBBTMFODBI-UHFFFAOYSA-N 438.509 2.514 0 40 IFAB COc1cc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12540501 QPXVVMXPWRANLP-QGZVFWFLSA-N 438.484 2.682 0 40 IFAB CC(C)(C)C(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 12560850 LOIRGAVVVFUIDV-UHFFFAOYSA-N 446.525 2.994 0 40 IFAB Cn1cnn(CN2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)c1=S 12889395 JUALRPAZYYDJBJ-UHFFFAOYSA-N 435.619 2.963 0 40 IFAB COc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(OC)c1 12981090 YIIPZFSOVCGZSG-UHFFFAOYSA-N 431.920 2.683 0 40 IFAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13014356 WOFFDGBYCGMCLK-UHFFFAOYSA-N 431.489 2.899 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12C(=O)Nc1ccc(OC)cc12 13557652 BTVXWSHGFNTNSU-DEOSSOPVSA-N 446.463 2.553 0 40 IFAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccccc1F 13566679 REYBDMIZIBMHSV-UHFFFAOYSA-N 428.869 2.518 0 40 IFAB COc1cc2cc(C(=O)NCCC(=O)Nc3ncc(C)s3)n(C)c2c(OC)c1OC 13684407 LWQDLHAMLQQSSF-UHFFFAOYSA-N 432.502 2.728 0 40 IFAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NCc3ccccc3Cl)cc2)no1 13734331 WERXSASWYRJBOG-UHFFFAOYSA-N 448.888 2.692 0 40 IFAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)NC1CCCCC1 13955848 APVJGPDFRLKWHO-UHFFFAOYSA-N 433.553 2.951 0 40 IFAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccccc2CN2CCCC2)C1=O 14249702 DZZLPKAADXQUOX-VWLOTQADSA-N 434.540 2.756 0 40 IFAB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 14271827 CDSGLROXMSEECQ-UHFFFAOYSA-N 446.960 2.990 0 40 IFAB CCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1CCc1ccc(OC)cc1 15321383 WOIVWEREGUALEA-HXUWFJFHSA-N 443.544 2.901 0 40 IFAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12 16322433 PPCYRDRGKLBEJE-LLVKDONJSA-N 439.463 2.863 0 40 IFAB NC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)COc2ccccc2F)C1 19703560 GFRHNBRKYFQKCJ-QHCPKHFHSA-N 441.434 2.945 0 40 IFAB C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1 19749248 QLLXNJYOJBQANL-CQSZACIVSA-N 433.443 2.993 0 40 IFAB CCc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 21682740 PYJVZXNVXIUDNN-UHFFFAOYSA-N 431.558 2.942 0 40 IFAB CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)cn2)CC1 22468838 APSMWOGOQATTIZ-KRWDZBQOSA-N 437.569 2.734 0 40 IFAB COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c1OC 23221202 VAVAIEYYMRQRCS-GFCCVEGCSA-N 437.470 2.512 0 40 IFAB COc1cc(OC)cc([C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2nccn2C)c1 24022658 VSXQZZNFBAWPKM-HXUWFJFHSA-N 443.525 2.669 0 40 IFAB CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 24193981 PILBGAMERNGOED-UHFFFAOYSA-N 437.525 2.924 0 40 IFAB CN(Cc1cnn(C)c1)C(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 24480689 PLTFCFZYUISHRL-UHFFFAOYSA-N 430.555 2.501 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NCC(=O)Nc2cc(OC)c(Cl)cc2OC)c1 24778628 JMZUFONPOITFJS-UHFFFAOYSA-N 436.848 2.981 0 40 IFAB CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 24985561 RMSJMHFEHJYAIL-MLGOLLRUSA-N 446.447 2.796 0 40 IFAB O=C(NOCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 25284467 JXBDNHZVXKBPOM-UHFFFAOYSA-N 438.465 2.519 0 40 IFAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCCC3)cn1C)O[C@@H](C)C2 26887528 BNGVXWHBXRYZKH-AWEZNQCLSA-N 433.530 2.784 0 40 IFAB CCOC(=O)C1=C(CN(CC)C[C@H]2COc3ccccc3O2)NC(=O)N[C@@H]1c1ccco1 31174334 YSWNZHQCVSQGQW-YCRPNKLZSA-N 441.484 2.613 0 40 IFAB CCc1ccccc1N1C[C@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1=O 32842066 XCXJRDQFJYWFDQ-CQSZACIVSA-N 431.418 2.980 0 40 IFAB O=S(=O)(NCCc1ccccc1F)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 35291187 MYRSFPKNQFMNND-UHFFFAOYSA-N 448.541 2.825 0 40 IFAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(F)cc4F)CC3)NC2=O)cc1C 35430757 CXTFQPHIUFALFL-UHFFFAOYSA-N 426.467 2.931 0 40 IFAB biogenic CN1CCN(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)CC1 38206998 VXTRFHPIUXAXML-SUMWQHHRSA-N 437.422 2.660 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 40309364 LILIOJMUKFICJX-FQEVSTJZSA-N 437.456 2.788 0 40 IFAB biogenic COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 49406763 WILWJTPRIWYIRT-UHFFFAOYSA-N 448.479 2.849 0 40 IFAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(N)c(Cl)c3)CC2)cc1 58312009 NPDCGMXXUFJVGY-UHFFFAOYSA-N 436.965 2.761 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(C(=O)NC3(c4ccc(F)cc4)CCCC3)cc2)CC1 72346513 AUKVEYHEERGTAW-UHFFFAOYSA-N 445.560 2.961 0 40 IFAB Nc1nc(C(F)(F)F)nn1CC(=O)N1CCc2nc(-c3ccccc3F)sc2C1 72392014 ZXRVCYFGDUNOOC-UHFFFAOYSA-N 426.399 2.727 0 40 IFAB COc1ccc(CNC(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)cc1OC 79104040 IRZJOBRSFUDDBT-UHFFFAOYSA-N 431.537 2.802 0 40 IFAB O=C(NCCn1ccc2cc(Br)ccc21)[C@@H](c1ccccc1)n1cnnn1 80338656 JCABMJPEIYUKJK-GOSISDBHSA-N 425.290 2.796 0 40 IFAB O=C(NCCC(=O)N1CCN(Cc2cccc(O)c2)CC1)c1ccc(Br)cc1 89780636 LCZLIVAZNOPFTE-UHFFFAOYSA-N 446.345 2.619 0 40 IFAB CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCCN12 103507539 RMUNWQPYCXCXOC-CQAGSAPUSA-N 443.503 2.735 0 40 IFAB COC(=O)c1ccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220040944 FZIAHMNINAMACS-UHFFFAOYSA-N 430.404 2.897 0 40 IFAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(S(C)(=O)=O)cc1 222465354 PKRBUXMJOARJLE-GOSISDBHSA-N 438.571 2.675 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCOc3ccccc32)CC1 222620837 AFFDYCIKTTVHOF-UHFFFAOYSA-N 434.489 2.661 0 40 IFAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222961780 KQPQLWVVYASZTM-IBGZPJMESA-N 445.585 2.786 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)ccc21 225028441 MWVGDTYPKQMMTG-UHFFFAOYSA-N 425.919 2.658 0 40 IFAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225080948 GUCGEPKACJSNKG-NRFANRHFSA-N 445.585 2.786 0 40 IFAB O=C(c1ccc(OCC2CCOCC2)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 252483373 DZWFXXGOIAMNQQ-UHFFFAOYSA-N 439.512 2.574 0 40 IFAB O=C1NCCNC(=O)[C@]2(C/C=C/COc3ccccc31)CCCN(Cc1nccs1)C2 257218151 DCAUMMKYRLIVAN-OSFWOZTASA-N 440.569 2.610 0 40 IFAB CCN1CCN(C(=O)Cc2nnc(N)s2)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257253209 JXYIVAHYFSTLRA-INIZCTEOSA-N 441.582 2.693 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408651522 BEIDHJDAXHTFPR-UVPINQTDSA-N 444.915 2.962 0 40 IFAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 408658791 RJMKYDIEDQQGRD-DOTOQJQBSA-N 426.469 2.795 0 40 IFAB COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2OC)cc1 408709945 JGDQTDZNLWJFAZ-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB O=C(Cc1ccccc1)N1CCO[C@]2(C1)C(=O)N(CC1CCOCC1)C[C@H]2c1ccccc1 585106933 LPCRWHHUKFZOHY-IGKIAQTJSA-N 448.563 2.879 0 40 IFAB CCc1cc(C(=O)N2CCC3(CCCCn4cc(nn4)COCCNC3=O)CC2)cs1 643563901 HALBHCORFCHLDI-UHFFFAOYSA-N 445.589 2.641 0 40 IFAB CCn1ncc2c1CCC[C@H]2NC(=O)CCCC(=O)N[C@@H]1CCCc2c1cnn2CC 673952513 HUKLGQQPAXBGEL-RTBURBONSA-N 426.565 2.977 0 40 IFAB O=C(NCc1ccccn1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595506 BZIITSFHLHUACK-GIWBLDEGSA-N 425.504 2.945 0 40 IFAB CC/C(NCc1cc(OC)cc(OC)c1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 1272543 SZAJFLWFSRODKU-FMQUCBEESA-N 439.468 2.749 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1sccc1C(N)=O 2663069 MUXFDDPGNXZMNV-UHFFFAOYSA-N 435.461 2.904 0 40 IFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc(Cl)c1 3525249 CNVDLICASNGWHK-UHFFFAOYSA-N 442.946 2.984 0 40 IFAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(F)cc1F 3525765 HUVBUHYIMSWBHC-UHFFFAOYSA-N 444.481 2.609 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc2c(c1)CCC2 3530292 OHGSXHSCEMSRNA-UHFFFAOYSA-N 428.510 2.755 0 40 IFAB CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(=O)N1CCCC1 8426023 AHDSAUKZWNLBIN-KGENOOAVSA-N 449.532 2.857 0 40 IFAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 9372945 OYABBZWIJWNYTE-NRFANRHFSA-N 442.468 2.526 0 40 IFAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1nc2ccccc2o1 9415184 BGNVVTIANQCASS-FDMDGMSGSA-N 428.514 2.673 0 40 IFAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 9491278 AAJSFKZIPJPULW-UXHICEINSA-N 442.537 2.805 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 9526000 XJVYCAZMRQBWST-KRWDZBQOSA-N 436.464 2.874 0 40 IFAB O=C(/C=C/c1ccccc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569827 WCOBDQKDLHHHEY-MDZDMXLPSA-N 433.961 2.621 0 40 IFAB CSCC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O 9632570 HHCHDBBFSHOCPU-AWEZNQCLSA-N 443.550 2.692 0 40 IFAB COc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)c(OC)c1 9761463 VZIMHFVIQPZZCX-UHFFFAOYSA-N 427.482 2.989 0 40 IFAB COc1ccc(CC(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1OC 11027412 BLNICTVERBXCNH-UHFFFAOYSA-N 433.468 2.546 0 40 IFAB C[C@H](Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F 11364660 GOZUZRHVKYXRDU-LSDHHAIUSA-N 435.525 2.552 0 40 IFAB O=S(=O)(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(Cl)s1 11694539 JOPOVIYGGFZQLJ-UHFFFAOYSA-N 435.918 2.864 0 40 IFAB O=C(CN(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1 12480380 BJRXWSYZUPFSFY-UHFFFAOYSA-N 442.520 2.628 0 40 IFAB O=C(COC(=O)CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 12599520 PNDZTENFNHMLJA-UHFFFAOYSA-N 438.546 2.550 0 40 IFAB Cc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1I 12797878 CNCHZNANNXBFER-UHFFFAOYSA-N 449.248 2.632 0 40 IFAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 12851459 ZBMITNOQJQNYDL-SNVBAGLBSA-N 449.537 2.898 0 40 IFAB CCN(CC)C(=O)CN1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 12860090 HDOKTFVJURNIIY-UHFFFAOYSA-N 428.558 2.627 0 40 IFAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 12882831 FGWIRGNEJNSCEJ-KSSFIOAISA-N 429.464 2.946 0 40 IFAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 13119729 DZVDQSAVIOTBKH-UHFFFAOYSA-N 448.504 2.929 0 40 IFAB CN(Cc1ccc(C(F)(F)F)cc1)c1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl 14232361 QYQAKNJCQFEVMK-CYBMUJFWSA-N 435.855 2.912 0 40 IFAB O=C1C[C@H](N2CCC(N3CCN(c4ccc(F)cc4)CC3)CC2)C(=O)N1c1ccccc1 14944099 IFDYZNHAAXEGOF-QHCPKHFHSA-N 436.531 2.744 0 40 IFAB COc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1OCc1ccc(Cl)cc1 17815681 RPJLFKLJOKEDIN-UHFFFAOYSA-N 438.933 2.645 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 18128534 JVFFOGUDNRBKIX-UHFFFAOYSA-N 434.540 2.994 0 40 IFAB Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)c(=O)[nH]c2c1C 19234210 GASZUDVPMNHVMV-JOCHJYFZSA-N 435.576 2.973 0 40 IFAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)n1 19693894 BRQPEJGINVUMLP-GOSISDBHSA-N 441.551 2.777 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2nccc3ccccc23)ncc1C(=O)N1CCOCC1 19755736 SEXLSNHSRUQVJD-FQEVSTJZSA-N 431.496 2.783 0 40 IFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)ncc1C(=O)Nc1ccccc1 19765263 KMEVKMZUKBQIRB-GOSISDBHSA-N 443.573 2.947 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](N3CCN(CCOc4ccccc4)CC3)C2=O)cc1Cl 22807874 FIWHIVUWVBNVPS-HXUWFJFHSA-N 443.931 2.677 0 40 IFAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1ccc(CC)cc1 23230865 NACYLTAQNZVQJY-UHFFFAOYSA-N 443.496 2.869 0 40 IFAB C[C@@H]1Oc2ccc(NC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)cc2NC1=O 29770626 MWXAUTZVMXFPMX-ZDUSSCGKSA-N 435.477 2.585 0 40 IFAB O=C(N1CCN(c2ncccn2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 32847787 YCKPTUDCLBWOOW-UHFFFAOYSA-N 434.949 2.565 0 40 IFAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(Cn2cncn2)cc1 32868944 WYBVLJCSXGIXDD-FQEVSTJZSA-N 427.455 2.675 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)COC(=O)CCn1nc(-c2cccs2)oc1=O 40023658 RVKVCNRKKJHFTL-UHFFFAOYSA-N 441.918 2.872 0 40 IFAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 57323064 QRHJNEVCWKBKJV-UHFFFAOYSA-N 435.572 2.967 0 40 IFAB O=C(NCc1cccnc1N1CCOCC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 58169384 USOSQJSSFVDBQU-UHFFFAOYSA-N 443.979 2.989 0 40 IFAB O=C(NCc1cc(Br)ccc1F)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 58283375 AOHLRMDZDKLNFX-WBVHZDCISA-N 439.256 2.619 0 40 IFAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 65499873 QPEVEJFTDQKJPV-MJGOQNOKSA-N 445.491 2.873 0 40 IFAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC(=O)NC(C)C)cc1 72296916 JNHDBGFDWUQWPK-KRWDZBQOSA-N 431.558 2.935 0 40 IFAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCCC2(C3OCCO3)CCCCCC2)cc1 72307413 ZZICFVVPQGEGIL-UHFFFAOYSA-N 445.603 2.862 0 40 IFAB COCCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1F)C(=O)C2 72371908 NTQMVDZMVAHEAR-IBGZPJMESA-N 426.492 2.756 0 40 IFAB CNc1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 72372343 XHUZKSNDVHJEJE-HXUWFJFHSA-N 441.507 2.695 0 40 IFAB C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C(=O)C(=O)NC2CC2)CC1 79098077 NYFWEWZFVZQWTI-LLVKDONJSA-N 438.315 2.527 0 40 IFAB COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2)c(S(=O)(=O)NC(C)C)c1 95946016 WOATUUQFEVHCLW-UHFFFAOYSA-N 426.560 2.736 0 40 IFAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc(OC)c2OC)C3)c(OC)n1 100728435 AYEJLTBPPIHKPS-IAGOWNOFSA-N 429.517 2.631 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1CC(F)(F)F 102777565 FANJOBLIHUQNIK-SOUVJXGZSA-N 440.418 2.733 0 40 IFAB O=C(CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O)N1CCCC1 106769857 CLENMBQNAAVTGU-YFHOEESVSA-N 432.239 2.543 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 107853589 HUIVVPSEYBMXHJ-JTQLQIEISA-N 431.283 2.902 0 40 IFAB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1ccc(OC)cc1)S(C)(=O)=O 222726695 YEYQXHVOYQSPEW-HNAYVOBHSA-N 448.541 2.888 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccc(F)cc1F 224793629 BEGNKDCNCSTNSK-UHFFFAOYSA-N 437.512 2.643 0 40 IFAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225714942 CEBBDCXXFGVIHC-QHAWAJNXSA-N 439.556 2.660 0 40 IFAB Cn1nc(-c2cccs2)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759283 NSWHFLRJZGIKQI-UHFFFAOYSA-N 435.509 2.629 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccc21 225851892 KKIIRIWATZRSKL-UHFFFAOYSA-N 428.558 2.538 0 40 IFAB COC[C@H](C)N1C[C@H](C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)CC1=O 253378272 ZUWITDRFGQCDNE-VPWXQRGCSA-N 437.544 2.552 0 40 IFAB COc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 408710161 QQCOHBZKSWHRSE-UHFFFAOYSA-N 431.492 2.923 0 40 IFAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO 408971574 JDEIMXQMVKCWJO-UHFFFAOYSA-N 431.341 2.683 0 40 IFAB O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 575420963 GXQPXEYMQQFQIT-IBGZPJMESA-N 444.534 2.558 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1 2056226335 PKZYTYLEQQQCQL-FYYLOGMGSA-N 432.467 2.650 0 40 IFAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 879772 IQPOVGFQAOLJIJ-OALUTQOASA-N 431.558 2.571 0 40 IFAB CCn1ncc(Br)c1CN(C)C(=O)c1cc2ncc(Br)cn2n1 2808829 RYNGFNOARIWSOQ-UHFFFAOYSA-N 442.115 2.743 0 40 IFAB Cc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)s1 3351509 AYXLZAIBBAZVOR-KRWDZBQOSA-N 432.502 2.740 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)c(Cl)c1 3411312 BCRRVZRUEVKELP-UHFFFAOYSA-N 428.869 2.900 0 40 IFAB COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3521177 OAWYBWCEPOHQGX-CYBMUJFWSA-N 428.466 2.680 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c1 8718217 FSMCPEJPBNYLDG-UHFFFAOYSA-N 437.521 2.827 0 40 IFAB COc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1S(=O)(=O)N1CCCCC1 9119215 IUGSURPUBSRVIF-UHFFFAOYSA-N 443.569 2.867 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1cccc(C(=O)NC2CC2)c1 9217407 TYGILELMNHSSIW-UHFFFAOYSA-N 447.582 2.996 0 40 IFAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 9226330 NTYACTMCHDUHJN-UHFFFAOYSA-N 445.566 2.795 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(OC)c2OC)C[S@@](=O)C3)cc1 9413807 QMMDQCOHNNAWJF-PMERELPUSA-N 427.482 2.913 0 40 IFAB COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OC(F)F 9509687 QHAJKLOBMBYRAU-UHFFFAOYSA-N 442.440 2.570 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 9741197 NNWJBMAVZHYBOV-INIZCTEOSA-N 427.525 2.843 0 40 IFAB COc1ccc(C(=O)N(CCN(C)C)c2nc3c(S(C)(=O)=O)cccc3s2)cc1 10337319 OEIMHBZJEGPUOL-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 10629363 OBADKMMFPAOOQL-SFHVURJKSA-N 443.481 2.662 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 11001109 FCDDOBIIWSQUCH-UHFFFAOYSA-N 426.494 2.638 0 40 IFAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)Nc2nnc(C)s2)c1 11613391 OCAAWCNUHRVRQT-CYBMUJFWSA-N 439.526 2.726 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1OC(C)C 11858288 YZADHYKFZWRQAM-UHFFFAOYSA-N 438.527 2.650 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OC(F)F)cc1 12745094 QGFRMOCTUVUZNS-LBPRGKRZSA-N 442.440 2.755 0 40 IFAB CCc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 12768768 NCSHSSUCFPLMTK-CQSZACIVSA-N 428.514 2.756 0 40 IFAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C[C@@H](C)O1 12989280 NKJIZXGPCKTTOV-HZPDHXFCSA-N 446.507 2.844 0 40 IFAB COc1ccc(OC)c2c1cc(C(=O)NCCC(=O)Nc1ccc3c(c1)OCCO3)n2C 13690787 QDLCSZCHYUCLGQ-UHFFFAOYSA-N 439.468 2.725 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 14360661 PTCHTVANBMRPRW-BLDHRRKUSA-N 436.574 2.778 0 40 IFAB Cc1cn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](COC(=O)c3ccccc3)O2)c(=O)nc1N 15107669 NCTJUBXGPJXNME-XUVXKRRUSA-N 449.463 2.504 0 40 IFAB O=c1c(Cl)c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1-c1ccccc1 15162217 OAIVEZBPKXYXFV-UHFFFAOYSA-N 448.907 2.536 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3nc(C)n4c(C)csc34)C2)CC1 19520269 ZXEULCHCCAEYEV-KRWDZBQOSA-N 438.619 2.780 0 40 IFAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)n1 19690074 BADQGTRWWPNCOI-GOSISDBHSA-N 438.919 2.934 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)c3oc4ccccc4c3C)C2)ncc1C(=O)N1CCOCC1 19757608 TYECFRRAMSOSFN-KRWDZBQOSA-N 434.496 2.942 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)C2)ncc1C(N)=O 19758344 KUXLBSBPQQDRHY-HNNXBMFYSA-N 428.920 2.602 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccco1 20006836 HWBAKNFLBKWPFR-LJQANCHMSA-N 428.510 2.803 0 40 IFAB O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 20735656 LUVZRZBBISVPJK-INIZCTEOSA-N 438.915 2.649 0 40 IFAB COc1cc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)sc2cc1OC 21560159 ZRGALFHBSNTJHB-JTQLQIEISA-N 439.490 2.758 0 40 IFAB COc1cccc([C@@H](CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N2CCCC2)c1 22804918 CWRNNFDPHSSPLM-NFBKMPQASA-N 446.617 2.795 0 40 IFAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 24393508 HZHCPJWTGOZXJT-OAQYLSRUSA-N 447.557 2.802 0 40 IFAB COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24612293 ZMUKHXIMAMLCEB-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CC2)c1C 35392603 IDVDRUQDCVSLPN-UHFFFAOYSA-N 448.567 2.756 0 40 IFAB O=C(CCN1C(=O)c2ccccc2C1=O)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 40161678 AJYWPDADLYOJIT-UHFFFAOYSA-N 445.353 2.671 0 40 IFAB COc1cccc(C[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)n2nnnc2C)c1 48276820 RRTGCLFYAYFQOV-NRFANRHFSA-N 440.573 2.570 0 40 IFAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c12 57286213 LDZQNNUYAFFCPV-KRWDZBQOSA-N 428.583 2.976 0 40 IFAB CC(=O)Nc1ccc2c(COC(=O)CCc3nc4ccccc4c(=O)n3C)cc(=O)oc2c1 57794491 SBBGBCLRTSXZKV-UHFFFAOYSA-N 447.447 2.674 0 40 IFAB CN1CCCN(c2ccc(CNC(=O)CCCc3nc(-c4cccs4)no3)cn2)CC1 58101558 JFHMLEJPWMHGMT-UHFFFAOYSA-N 440.573 2.974 0 40 IFAB O=C(Nc1cccc(OCCn2cccn2)c1)c1cccnc1S(=O)(=O)C(F)(F)F 58157911 NCFVMQLMAYTSGZ-UHFFFAOYSA-N 440.403 2.903 0 40 IFAB COc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(Br)c1OC 58345140 UFPUJZFQGMEVRY-UHFFFAOYSA-N 435.196 2.794 0 40 IFAB CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)c1 58355133 QTTVSGKMZOLYTG-UHFFFAOYSA-N 446.934 2.614 0 40 IFAB FC(F)(F)c1ccc2c(c1)nnn2[C@H]1CCCN(Cc2cnc(N3CCOCC3)nc2)C1 72347977 FOFFHHGIFWLNLD-KRWDZBQOSA-N 447.465 2.914 0 40 IFAB Cc1nc(C2CCN(CC(=O)N3CCC3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 72371174 OIOGXPDSJLPLDK-UHFFFAOYSA-N 433.556 2.676 0 40 IFAB CC(C)Cc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)n1 95476920 SBWXNMOXOZFVOC-SNVBAGLBSA-N 446.309 2.634 0 40 IFAB CC(C)Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2c1=O 96115490 ZVWNORROGGUXBB-BJLQDIEVSA-N 443.573 2.717 0 40 IFAB biogenic C[C@@H]1CN(C(=O)c2cnc(-c3noc4cc(N5CCN(C)CC5)ccc34)s2)C[C@@H](C)O1 96154601 AIYMAKBYUJEOHO-HUUCEWRRSA-N 441.557 2.953 0 40 IFAB COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(C)c(N2CCCC2=O)c1)OC 96385269 BIQVXIZYTJBCOC-FQEVSTJZSA-N 425.485 2.573 0 40 IFAB CSc1ccc(S(=O)(=O)N2C(=O)CNc3ccccc32)cc1C(=O)N1CCCC1 98087212 YIANNSUGWSRARP-UHFFFAOYSA-N 431.539 2.792 0 40 IFAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)[C@H](C)Cn4nc(C)nc4C)C3)nn2c1O 100138480 DJSXKFAOWUNPOF-DYVFJYSZSA-N 425.537 2.556 0 40 IFAB COc1ccccc1[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@@H]2c2snnc2C3)[C@H](C)C1=O 100214814 JROZTJHXSVBCKJ-AHEZYBDSSA-N 426.542 2.582 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)/N=c3/sccn3C)cc2)cc1 105000069 GKQKVSMAHJTNLT-QZQOTICOSA-N 431.539 2.726 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1OC 113936434 VXNHIIKBIYEINT-UHFFFAOYSA-N 441.509 2.854 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 223521552 JMUUQMDUYKTYQD-IBGZPJMESA-N 445.585 2.623 0 40 IFAB O=C(NCCCN1CCc2ccccc2C1)c1cccc(N2CCCCS2(=O)=O)c1 224392909 KIUOFSDTCMERDO-UHFFFAOYSA-N 427.570 2.795 0 40 IFAB C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1ccc(F)cc1)S(C)(=O)=O 224805636 WEXXHWXTYNBBPL-QGZVFWFLSA-N 434.533 2.845 0 40 IFAB Cc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 224831522 CYNOSURXWZTOLB-UHFFFAOYSA-N 432.527 2.765 0 40 IFAB COc1cc(/C=C/C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc(OC)c1OC 253474670 JBSVYCBBSXOYCF-VOTSOKGWSA-N 442.512 2.803 0 40 IFAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(C(=O)CCCN4CCCC4=O)CCO3)nc2)n1 257237557 HHARSXQDUWVYRH-FQEVSTJZSA-N 438.532 2.535 0 40 IFAB CCn1cnc2cc(NC(=O)C[C@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)ccc21 257267622 MIBZCXAMOKDBPF-MRXNPFEDSA-N 438.532 2.670 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc3ccccc3c2)Oc2ccccc21 260926855 JTMIURAIVAJXRU-OAQYLSRUSA-N 426.494 2.562 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCO)Cc2c(Cl)cccc2Cl)cc1 409007709 ZBCLMKAHNPVPOP-UHFFFAOYSA-N 445.368 2.991 0 40 IFAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1cc(OC)ccc1OC 575617058 WOBVMJMVBONGCN-QGCDCVKKSA-N 447.509 2.609 0 40 IFAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCn1nc(C(F)(F)F)ccc1=O 1889061995 HZWSGNOSGHMFQZ-UHFFFAOYSA-N 445.397 2.688 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1nn(CC)c(=O)c2ccccc12 3283864 HGPIQJHUWGWUCO-UHFFFAOYSA-N 425.441 2.578 0 40 IFAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C 6821097 SRGHPZQTPNDERX-OAHLLOKOSA-N 443.573 2.925 0 40 IFAB O=C(CSc1nnc(-c2cccnc2)o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 8862287 CRVPKGZDQZLLPI-MRXNPFEDSA-N 436.559 2.572 0 40 IFAB COc1ccc(CCC(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1 9016214 JDDHXMHKLKDVDH-UHFFFAOYSA-N 445.523 2.707 0 40 IFAB CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCCO2 9216873 LHUGVOQXHIHALB-VLIAUNLRSA-N 443.525 2.940 0 40 IFAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9514009 DLLRKEQFVSKWKH-RUZDIDTESA-N 449.507 2.590 0 40 IFAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)N3CCOCC3)[C@H]2c2cccs2)cc1 9603563 ULYQMXYALCNEFC-AVRDEDQJSA-N 442.537 2.943 0 40 IFAB Cc1nnc(NC(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)s1 9663723 YOUHWYCAKXXHPY-HNNXBMFYSA-N 436.497 2.730 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 9743865 JENOBIYPRZJOTH-LJQANCHMSA-N 447.532 2.822 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)NC(=O)c2ccco2)ccc1Cl 9957203 GQDWNRZUFUJFMH-GFCCVEGCSA-N 427.910 2.721 0 40 IFAB Cc1cc(F)ccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10833427 YOINEAFPIIVMKR-UHFFFAOYSA-N 431.533 2.568 0 40 IFAB COc1cc(COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)ccc1OC(F)F 12988704 RNQRIPLLQCDTAL-QFIPXVFZSA-N 446.406 2.949 0 40 IFAB CCc1cc2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc(=O)oc2cc1O 13038565 UBDDTXYADCRTEX-UHFFFAOYSA-N 428.510 2.568 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13060218 MIKDWEUKTGFYSM-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 13163588 KJXIRKBALBNSBW-QKFKETGDSA-N 439.468 2.651 0 40 IFAB COc1cc(NC(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc34)C2)cc(OC)c1OC 13549226 UOOKJROQXBLCOU-LLVKDONJSA-N 446.895 2.887 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1cccc(Cl)n1 13572537 NHNSVEGLUJJAHX-OLZOCXBDSA-N 434.974 2.973 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3C(=O)c3ccccc32)cc1 13624143 GANNFVPQFVISKS-FQEVSTJZSA-N 435.480 2.843 0 40 IFAB O=C(Cn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCC3)N1CCCCC1 13689459 PTDIMKFUMMFPDO-UHFFFAOYSA-N 434.525 2.669 0 40 IFAB Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 14171081 YUTCGAYRNFFIQH-UHFFFAOYSA-N 439.331 2.610 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)c1c[nH]c2ccccc12 14634087 WXXJWTPZLVCTHR-HNNXBMFYSA-N 444.582 2.863 0 40 IFAB COc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)cs2)cc1 15104792 RTTPNRQRBDIQLT-UHFFFAOYSA-N 448.570 2.930 0 40 IFAB CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 15925320 NFXYYFHIFKAHDT-UHFFFAOYSA-N 437.521 2.945 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCSc1nc2ccccc2o1 17440293 MTLIIFUNGVOWSM-UHFFFAOYSA-N 436.291 2.509 0 40 IFAB Cc1ccnc(N2CCC[C@@H](c3nc(N4CCN(C)CC4)ncc3-c3ccncc3)C2)n1 19238233 WTBSGDJQRVCTKV-HXUWFJFHSA-N 430.560 2.773 0 40 IFAB CCOc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)NC(=O)c3ccccc3N4)CC2=O)cc1 19533512 WEABJHBWXVUWFB-KRWDZBQOSA-N 448.523 2.612 0 40 IFAB NC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(S(=O)(=O)Cc2ccccc2)C1 19703552 SGGNHGLDLVVKTE-QFIPXVFZSA-N 443.500 2.731 0 40 IFAB COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)C1 19739394 ZVHVZMVADRHQFO-SFHVURJKSA-N 438.528 2.625 0 40 IFAB O=C(CSc1nccn1C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 21831465 LOHNUGYHQKLTJZ-UHFFFAOYSA-N 447.007 2.558 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4[nH]c3=O)CC2)cc1OC 22582775 SUFVAJMYOQMNBQ-UHFFFAOYSA-N 436.512 2.516 0 40 IFAB Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCN(C)CC2)cc1 22796649 PVAWDZYQGMWHAN-HXUWFJFHSA-N 432.927 2.831 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N1CCCc2ccccc21 22886806 MZFBVRGHTONAFX-INIZCTEOSA-N 447.582 2.563 0 40 IFAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23731800 SJUGIHMWHFKYAH-UHFFFAOYSA-N 435.553 2.904 0 40 IFAB CC(C)CC(=O)Nc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 30807439 IGPMYWQBNDRMCO-LJQANCHMSA-N 425.464 2.869 0 40 IFAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@H]2C)OCO4)cc(OC)c1O 31861686 HMMFKXIBIIUASW-DFTDMARZSA-N 429.469 2.957 0 40 IFAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 36392020 WDGAYMXZRVOJAE-RTWAWAEBSA-N 438.528 2.530 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38834560 VFAXKMFXKPDBJP-LJQANCHMSA-N 446.525 2.936 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38835162 KNROOJQXAHUUNS-LJQANCHMSA-N 446.525 2.936 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 40283793 NZXMKEXMUALGST-UHFFFAOYSA-N 439.902 2.787 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O 40478096 GKPGOQVUCULDDI-UHFFFAOYSA-N 444.829 2.915 0 40 IFAB CN(CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 44916980 HDHZHXNAUPDOAV-OAQYLSRUSA-N 445.585 2.764 0 40 IFAB C[C@H]1CN(c2ccc(NC(=O)NCc3ccnc(N4CCOCC4)c3)cc2F)C[C@@H](C)O1 48250187 NLTRGIBTXRPNKL-CALCHBBNSA-N 443.523 2.993 0 40 IFAB CCOC(=O)c1cn(Cc2cc(F)cc(F)c2)nc1S(=O)(=O)N1CCC[C@H](C)C1 49402251 QGLPBJGDENBERT-ZDUSSCGKSA-N 427.473 2.807 0 40 IFAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCCCC2)cc1OC 59444205 XRQZNJNNJCEQSZ-UHFFFAOYSA-N 446.569 2.950 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 68769781 DYCZTYRMKWGIGL-LLVKDONJSA-N 445.419 2.849 0 40 IFAB CN1C(=O)CO[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 72241260 AFZNOOBAAIHZAW-FGZHOGPDSA-N 427.932 2.583 0 40 IFAB COc1ccc([C@]2(O)CCC[C@@H]3CN(C(=O)Cn4ncc5ccccc5c4=O)C[C@@H]32)cc1 72340419 LEMNJADUNOAKCR-WSUBETFTSA-N 433.508 2.551 0 40 IFAB COc1cccc(CN2CCC(c3nnc([C@H]4CCCCN4S(C)(=O)=O)o3)CC2)c1 72344916 NOBZVMYIAFMKCL-LJQANCHMSA-N 434.562 2.944 0 40 IFAB COc1ccc2c(C)c(CC(=O)Nc3ccc4ncn(C)c(=O)c4c3)c(=O)oc2c1OC 96114752 IWOPMYYZDHONSR-UHFFFAOYSA-N 435.436 2.547 0 40 IFAB biogenic COc1ccc(N2C(=O)[C@H]3N=NN(Cc4cc(OC)ccc4Br)[C@@H]3C2=O)cc1 101167004 VIWUDRCCCUCZBH-IRXDYDNUSA-N 445.273 2.960 0 40 IFAB O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 101564938 QXNIAWXOIMCJBX-ZWOKBUDYSA-N 432.542 2.945 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC(C)=O 108092109 QIYCEXGVHCRJKS-WQRHYEAKSA-N 432.498 2.915 0 40 IFAB CCCc1cc(=O)oc2cc(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)ccc12 208175259 XRWSZKKTRVKCJW-FUHWJXTLSA-N 434.492 2.932 0 40 IFAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 219559528 CGAOTJDAOVLAPH-LJQANCHMSA-N 432.542 2.694 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)cc1 220321912 JSKMSGXXFKOUIF-CQSZACIVSA-N 432.477 2.655 0 40 IFAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220644713 XBXXZRRLUZYHMO-IBGZPJMESA-N 434.514 2.974 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224106369 DOGTZJWSLZRGIM-FQEVSTJZSA-N 445.585 2.705 0 40 IFAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244856 ZIQUPUBEDNZMBN-HXUWFJFHSA-N 434.558 2.906 0 40 IFAB CC(=O)c1cccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)c1 224850652 DORRNBGMGAPYSD-UHFFFAOYSA-N 432.542 2.939 0 40 IFAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225088116 NOXOUFRNHOHGTR-UHFFFAOYSA-N 429.498 2.623 0 40 IFAB COc1nn(C)cc1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225561949 VDWURUVVMCYHHR-UHFFFAOYSA-N 426.452 2.563 0 40 IFAB CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)s1 225592769 TZPRKCRPYLUMKZ-UHFFFAOYSA-N 444.579 2.970 0 40 IFAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 225719113 MKPREELJQBVHNW-CYBMUJFWSA-N 442.484 2.795 0 40 IFAB COCCC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n(C)n2)C1 257231189 GFQXRMMJLLTKOC-LJQANCHMSA-N 441.450 2.997 0 40 IFAB CCn1ccc(NC(=O)[C@@H]2CN(C(=O)c3nc(C)sc3-c3ccccc3)CCN2C)n1 257320393 VWPQYAKLUONKMQ-KRWDZBQOSA-N 438.557 2.730 0 40 IFAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306138425 RXGWGZYRQUZFFH-CPJSRVTESA-N 444.539 2.913 0 40 IFAB COc1ccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cc1 306142476 XAIVECPQYJGDFL-MSOLQXFVSA-N 433.512 2.852 0 40 IFAB O=c1c2cccnc2ncn1C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 575618220 UGSSZOZUOBGYGI-UHFFFAOYSA-N 438.431 2.836 0 40 IFAB CCOc1ncccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 585262372 JBNUSDXXQPUSEE-HFMPRLQTSA-N 425.529 2.588 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)CC[C@H](O)[C@H]1O 585660670 VMCFTVWDHVWSOB-MNXWYSSYSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)[C@H]4CCc5ccccc5O4)CC3)n2)n1 1775970839 SGTGLGZZFYCCKM-OAQYLSRUSA-N 433.512 2.603 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888922132 DJPURUXHZZGSLX-HNNXBMFYSA-N 432.477 2.977 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1C 3411042 ZEAQSOOKAWXZLI-UHFFFAOYSA-N 447.557 2.572 0 40 IFAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C 6631801 SRGHPZQTPNDERX-HNNXBMFYSA-N 443.573 2.925 0 40 IFAB CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@H]1CCS(=O)(=O)C1 6838836 TYKILEMHHKDAHO-KKUMJFAQSA-N 427.588 2.844 0 40 IFAB CCc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)cc1 8596643 VFOKGJNTHNRJMT-UHFFFAOYSA-N 430.501 2.909 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4)nn23)c1 8627020 LZKMNIBERZRTAI-UHFFFAOYSA-N 444.538 2.996 0 40 IFAB Cn1c(=O)c2c(nc3n(Cc4ccccn4)c(C45CC6CC(CC(C6)C4)C5)cn23)n(C)c1=O 8662367 RFURXZCEEFOOKK-UHFFFAOYSA-N 444.539 2.598 0 40 IFAB biogenic,in-vitro COc1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 8868026 OWPBSVTULDRTLF-INIZCTEOSA-N 427.478 2.631 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCCC1 9191854 DHZRNKBMVOKAOT-UHFFFAOYSA-N 432.498 2.893 0 40 IFAB C[C@@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1cccs1 9619789 PVOJWPSZMUSBHN-CQSZACIVSA-N 449.554 2.708 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 9747349 PKCMQYOQBOTVOC-UHFFFAOYSA-N 428.558 2.617 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1 12698326 NOBMKDJJIGOQND-MRXNPFEDSA-N 433.530 2.910 0 40 IFAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)no1 12769266 WXUWYGALJBPAGF-SNVBAGLBSA-N 434.337 2.846 0 40 IFAB C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)nc(O)n2C1CC1)C(=O)NCc1cccs1 12809751 FRHIBCRKAGGDGK-SNVBAGLBSA-N 443.554 2.963 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)c1C 13038993 RHHARKFGKDBQIR-OAHLLOKOSA-N 442.468 2.596 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715320 OATGEXCRRVOPPJ-LJQANCHMSA-N 449.548 2.728 0 40 IFAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC 13858185 KAWDMKPWQGBWBU-UHFFFAOYSA-N 428.894 2.625 0 40 IFAB COc1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1OC 14666992 HIFBKICUMYRJPL-UHFFFAOYSA-N 437.489 2.987 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc21 15244025 ZNUBNBAVADFTKY-UHFFFAOYSA-N 439.493 2.919 0 40 IFAB O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15340644 BHDJQTZUCYZWKS-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 15743871 ZQUDMKJKVRNWIQ-UHFFFAOYSA-N 428.432 2.861 0 40 IFAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 15956613 HZUZNQSIBXXFOD-DDOIHHOZSA-N 427.570 2.720 0 40 IFAB biogenic O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 16050586 HOLGNQMBLYGBEO-UHFFFAOYSA-N 441.440 2.991 0 40 IFAB CN1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)nn2)CC1 16916049 XIHPAOLTXZRKPN-UHFFFAOYSA-N 445.495 2.974 0 40 IFAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(=O)c3cc(C)ccc3o2)c(=O)[nH]c1=O 18119323 DDKKYZXAPDEUBP-UHFFFAOYSA-N 440.500 2.637 0 40 IFAB COc1ccc2c(c1)C[C@@H](C(=O)N[C@H](c1cc(=O)[nH]c(-c3ccccn3)n1)C(C)C)CO2 19445557 GMNVDWBKDLUPLK-ZHRRBRCNSA-N 434.496 2.905 0 40 IFAB COc1cc(CN2CCC(c3nc4c(c(=O)[nH]3)CCN(C(C)C)C4)CC2)cc(OC)c1 19448512 WUCOUOZMECWOTA-UHFFFAOYSA-N 426.561 2.933 0 40 IFAB Cc1ccc2oc(=O)n(CC(=O)N3CCO[C@H](c4ccc(-c5ccc(N)nc5)cn4)C3)c2c1 19692422 QEYUDTLCQYBFMY-NRFANRHFSA-N 445.479 2.542 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2)nc2c1CCC(=O)N2Cc1ccccn1 19740990 UHFSEHSFUPNIAK-NRFANRHFSA-N 448.571 2.809 0 40 IFAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)CC3CCCC3)nc2n(C)c1=O 19743649 WFIAGBUUPOLYPV-OAHLLOKOSA-N 438.450 2.895 0 40 IFAB CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)ccc1OC 20025032 DEPHIVRFCLQQQE-AWEZNQCLSA-N 436.530 2.892 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1Cl 20033359 IXUWDGLHBOHQCR-UHFFFAOYSA-N 429.325 2.944 0 40 IFAB CCN(CC)[C@H](CNC(=O)CN(c1ccccc1C)S(C)(=O)=O)Cc1ccccc1 23197336 BHTVAOCHTYJDMW-NRFANRHFSA-N 431.602 2.830 0 40 IFAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 27131826 LMTOUCMUFBNDAD-RNVRALISSA-N 428.562 2.513 0 40 IFAB CC(C)CNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)CC1 27554031 HAUSFKXPXRIPED-HNNXBMFYSA-N 428.549 2.718 0 40 IFAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 30125127 QHLOYJZWUAOENJ-GOSISDBHSA-N 449.477 2.936 0 40 IFAB Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 30847208 GXKPYDBMNJPCOI-GOSISDBHSA-N 426.542 2.960 0 40 IFAB Cn1c(=O)c2ccc(C(=O)Nc3cccc(COc4cccc(F)c4)c3)nc2n(C)c1=O 31397075 MJSBZZPIMBHPCZ-UHFFFAOYSA-N 434.427 2.603 0 40 IFAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCC(C)CC3)c2)CC1 31809486 WZJAMQVPIAGNFY-UHFFFAOYSA-N 427.998 2.975 0 40 IFAB CCc1cccc(CC)c1NC(=O)Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2 32616281 MWLADGFQVACFTP-UHFFFAOYSA-N 443.507 2.717 0 40 IFAB Cc1ccc([C@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1C 32946551 VXRDFBADUVXBIX-AWEZNQCLSA-N 432.571 2.807 0 40 IFAB COc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)cnc32)cc1 44166582 HOLRHANPRAUERE-UHFFFAOYSA-N 435.831 2.738 0 40 IFAB CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1OCC(=O)N(C)C 59777171 JDAZRFKTDQSEMA-SFHVURJKSA-N 436.512 2.590 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C[C@H]2CCCO2)CC1 69291753 DGLDEDDVDFSSPW-APWZRJJASA-N 440.009 2.515 0 40 IFAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 71279796 FZRIUXRLGKDXKO-KGLIPLIRSA-N 435.502 2.701 0 40 IFAB Cc1cc2ncn(C[C@@H](O)CN3C(=O)N[C@](C)(c4ccc5c(c4)CCC5)C3=O)c2cc1C 71949255 FUAMUSMYDLJIHB-CJFMBICVSA-N 432.524 2.970 0 40 IFAB COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(c4ncc(C)cn4)CC3)O2)c1 96144634 MPHJAGRPQFAQJC-IBGZPJMESA-N 434.500 2.523 0 40 IFAB COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)n2)cc1OC 97001955 WIWRGCMYNZUBNB-OAHLLOKOSA-N 447.517 2.662 0 40 IFAB Cc1cc(C)c(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cc1N 97109105 FACDVGLTBCGQEJ-UHFFFAOYSA-N 434.290 2.560 0 40 IFAB CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 113944886 XRTIRMZJRKVMEA-AWEZNQCLSA-N 448.416 2.746 0 40 IFAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 223161501 JZYGJOSWKBKJFB-IBGZPJMESA-N 448.541 2.888 0 40 IFAB COc1cccc(N(CCCC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 224173989 WIGUKGZGWYDHRX-UHFFFAOYSA-N 449.548 2.729 0 40 IFAB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Br)cc1 224728459 UTPOGAADRKYMRC-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)ccc21 225084738 QJKRPFOCAKQSMQ-ZDUSSCGKSA-N 449.554 2.885 0 40 IFAB COc1cccc(C(=O)N2CCC(c3cc(C(=O)NCC(F)(F)F)[nH]n3)CC2)c1OC 225563626 FOSLORRFXOVLMB-UHFFFAOYSA-N 440.422 2.739 0 40 IFAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(=O)N2CCOCC2)C1 225765655 YISSZKJLHMMHPU-ASJPCPMZSA-N 444.553 2.807 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1 227003473 MEGUYTZYQCPVGH-HEHGZKQESA-N 436.555 2.623 0 40 IFAB CC1(C)O[C@@](C)([C@H]2CC3(CCN(C(=O)c4ccn(C(F)F)n4)CC3)CO2)CC[C@@H]1O 257259561 KYXNNVNWJBDKEN-RZQQEMMASA-N 427.492 2.998 0 40 IFAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3C[C@H](C)O[C@@H](C)C3)C1)N2 257263620 LQTUUZBJSONWFR-IECFSIQFSA-N 425.524 2.530 0 40 IFAB O=C(c1ccco1)N1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccc(F)cc1)C2=O 306127578 GCPDOWZJYKIDGB-RDPSFJRHSA-N 435.455 2.851 0 40 IFAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 409065314 FXYRDBUJWRNRNV-HFXBMHRVSA-O 430.484 2.720 0 40 IFAB C[C@@H](C(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1)N1CCN(c2ccc(F)cc2)CC1 552812708 TVBMSYIWGXSJDT-INIZCTEOSA-N 442.510 2.765 0 40 IFAB COC(=O)c1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccnn2C)cn1 585105734 HNEIMBQVWFSHIJ-UHFFFAOYSA-N 432.480 2.977 0 40 IFAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(F)cc3)c(=O)n2n1 1889098465 UAUFHUCPGQKTOW-UHFFFAOYSA-N 439.447 2.792 0 40 IFAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccccc1 3264842 ZOXHOEKWQQNSSQ-UHFFFAOYSA-N 445.522 2.733 0 40 IFAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 3314357 UVXVUOSWPVLSCY-UHFFFAOYSA-N 446.500 2.746 0 40 IFAB CN(C)c1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(C5CCCC5)n4)CO[C@H]23)cc1 5398821 VELKIUVYPPSAAT-FNAHDJPLSA-N 437.544 2.577 0 40 IFAB biogenic,in-vitro CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(O)c1ccccc1 5541885 HGAINBGRJFALTP-VRIJDZSUSA-N 440.492 2.998 0 40 IFAB CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCC(C)C 6193393 IONWFHZOIMLZDT-UHFFFAOYSA-N 432.590 2.931 0 40 IFAB CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccccc1Cl 6544910 MEEYKWWKAAHSRV-GWCFXTLKSA-N 436.917 2.909 0 40 IFAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)C1=O 8752078 KDSOKXDQDDTZKQ-OVWNDWIMSA-N 449.558 2.767 0 40 IFAB O=C(COc1ccccc1C(=O)NCc1ccccc1)NC[C@@H]1COc2ccccc2O1 8880560 ODIQKTFSTXSHGI-LJQANCHMSA-N 432.476 2.952 0 40 IFAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(OC)cc2)cc1 9126742 GUUHWQLMLILXIE-UHFFFAOYSA-N 445.479 2.750 0 40 IFAB CCOc1ccc(NC(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1OC 9314533 DZUKRRLYMZGSEB-LJQANCHMSA-N 431.514 2.796 0 40 IFAB Cc1cccc(C(=O)Nc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)c1 9430012 PKLCDNRZSFEVJU-FQEVSTJZSA-N 446.507 2.809 0 40 IFAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)c1c[nH]c2ccccc12 9513274 BYFWAHYGBNCDRA-AWEZNQCLSA-N 431.539 2.947 0 40 IFAB CCCCCn1c(N2CCN(Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C 9714056 VVGRWADFOYIBSL-UHFFFAOYSA-N 438.576 2.553 0 40 IFAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 9731497 OVVFCLRYGWLYHK-CYBMUJFWSA-N 432.527 2.648 0 40 IFAB COc1cccc(-n2c(C)cn3c4c(=O)n(CCc5ccccc5)c(=O)n(C)c4nc23)c1 9829385 NFWDSIVCVKWPLX-UHFFFAOYSA-N 429.480 2.698 0 40 IFAB Cc1cc(C(=O)COC(=O)c2sccc2S(N)(=O)=O)c(C)n1Cc1cccs1 10933216 OURDEHUZBUSDIO-UHFFFAOYSA-N 438.552 2.963 0 40 IFAB COc1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1OC(F)F 11449613 HYNCJCLKPLMVHK-UHFFFAOYSA-N 446.497 2.941 0 40 IFAB Cc1cc(NC(=O)CSCC(=O)OCC(=O)c2cccc(Br)c2)no1 11644824 PNVIDOSNVMWBOZ-UHFFFAOYSA-N 427.276 2.843 0 40 IFAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)Nc1ccc2c(c1)OCCO2 11758448 IGKWCZCLZMWJJQ-UHFFFAOYSA-N 434.481 2.772 0 40 IFAB Cc1ccsc1CN(C)C(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086642 GNYJCGZSMTVBHH-HSZRJFAPSA-N 441.553 2.589 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237207 FBOFANSPAATHDF-QKKBWIMNSA-N 436.468 2.970 0 40 IFAB CC(=O)c1ccccc1OCCSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C 12592541 NCWPCOMNHWPYLI-UHFFFAOYSA-N 442.541 2.828 0 40 IFAB Cn1ncc2c(=O)n(CCC(=O)N3CCc4sccc4[C@H]3c3cccs3)cnc21 12872138 CIDJRKXOKFFTKR-SFHVURJKSA-N 425.539 2.817 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2c(CC)noc2C)NC(=O)N[C@H]1c1ccc(OC)cc1 13112392 PBXUSHOBZICWBE-IBGZPJMESA-N 443.456 2.582 0 40 IFAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 14701639 QQGRPOLCSVTTCV-UHFFFAOYSA-N 440.521 2.670 0 40 IFAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 15828907 HTVUCCWEYTYJOV-QGZVFWFLSA-N 444.484 2.562 0 40 IFAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCCN21 15955289 JEFJLBXDTAVNAR-UGCAPWQASA-N 431.492 2.743 0 40 IFAB biogenic CC(=O)N[C@H]1C[C@@H](CCNC(=O)CN(C)Cc2ccccn2)O[C@@H](c2ccccc2F)C1 19712409 ZDDYSNBCKUXTQC-MIZPHKNDSA-N 442.535 2.584 0 40 IFAB Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)C3)C1 19743864 CKUQYCNFPLVCAA-GOSISDBHSA-N 446.511 2.514 0 40 IFAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)c1ccccc1Br 19819736 FJCDWMKCYDOLAZ-QGZVFWFLSA-N 433.302 2.981 0 40 IFAB COc1cc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)c(OC)cc1Cl 22512175 WFQQZXZKCQMBHJ-KRWDZBQOSA-N 426.878 2.523 0 40 IFAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 22808288 WJONOXFQDAXGLI-GGAORHGYSA-N 441.597 2.788 0 40 IFAB O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1 23143070 IBIGVRNTACOWGN-UHFFFAOYSA-N 445.523 2.938 0 40 IFAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H](c1ccsc1)N(C)C 25331985 CNSGACNUNGLQJM-AWEZNQCLSA-N 426.468 2.783 0 40 IFAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 26389397 YCIKEGXXRJHFQI-UHFFFAOYSA-N 446.266 2.725 0 40 IFAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)c2s1 32616362 KPHYTZSMUZVETG-UHFFFAOYSA-N 425.495 2.628 0 40 IFAB CCc1ccc([C@H](C)NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1 32946546 KNAMSPLUEFLJRM-ZDUSSCGKSA-N 432.571 2.753 0 40 IFAB Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccc2c(c1)OCO2 33171873 BARMHWREWIXNFL-UHFFFAOYSA-N 444.900 2.967 0 40 IFAB COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NCc1ccc(CO)o1 35442599 INKCVJFQAFNFFT-TZYAJKAJSA-N 436.593 2.740 0 40 IFAB biogenic,in-vitro Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1cccc(OCc3cccnc3)c1)CC(=O)N2 36360320 MWYUEJSJSPIAOV-GOSISDBHSA-N 428.452 2.712 0 40 IFAB CC1(C)COCN1C(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 36366296 NAAJXSRYXHIYSP-UHFFFAOYSA-N 434.514 2.852 0 40 IFAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 40390659 WNHOVOOWMZLAPO-GOSISDBHSA-N 429.480 2.706 0 40 IFAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC 44900408 CMPJRKJDOCMRNT-OAHLLOKOSA-N 448.541 2.988 0 40 IFAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)NCCc1ccccc1 56949839 JBOYZAUXDYROER-UHFFFAOYSA-N 447.535 2.700 0 40 IFAB Cc1cc(I)ccc1NC(=O)CN1CCN(c2nccs2)CC1 57463536 HMAOUQXGJJKCJT-UHFFFAOYSA-N 442.326 2.817 0 40 IFAB O=C(CN(CCCN1CCOCC1)CC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 58432614 XIJBACZJJXWKFF-UHFFFAOYSA-N 446.498 2.566 0 40 IFAB CN1C(=O)N(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)C12CCCCC2 71285152 AJQHWGSHBAABKD-UHFFFAOYSA-N 433.936 2.747 0 40 IFAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1(N2CCOCC2)CCCC1 78879169 YORXHAGGXQUURF-AZUAARDMSA-N 431.552 2.828 0 40 IFAB CC(C)Cn1cnc2ccc(NC(=O)CCCn3nnc4ccccc4c3=O)cc2c1=O 95472703 YYISCUQZSXFNIT-UHFFFAOYSA-N 432.484 2.576 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 96024220 CKTBFONTGAHIOX-CSKARUKUSA-N 446.507 2.551 0 40 IFAB O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H]1CCCO1 96115146 OQATXAZXDGQCGD-INIZCTEOSA-N 428.492 2.870 0 40 IFAB biogenic CS(=O)(=O)[C@](Br)(I)[C@H](O)c1ccc(Cl)cc1 96520979 ORXRQPJAGDSCDS-RKDXNWHRSA-N 439.496 2.902 0 40 IFAB C[C@@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N=C=O)cc1 114672423 SDAXBDFPLILPQN-HZPDHXFCSA-N 440.408 2.942 0 40 IFAB Cc1cc2c(cc1S(=O)(=O)Nc1ccc(I)cc1)oc(=O)n2C 223334848 COMFPUFCJPYSBH-UHFFFAOYSA-N 444.250 2.845 0 40 IFAB CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 224026320 JEYFMZJVVUHNOX-UHFFFAOYSA-N 446.569 2.777 0 40 IFAB CCn1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)c(C)n1 257210722 BVVXIUFQZVVFPZ-JOCHJYFZSA-N 447.587 2.617 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)S(=O)(=O)c2ccccc2F)CC1 257269125 MORCJXNIKKYFGA-QNWVGRARSA-N 448.560 2.824 0 40 IFAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)S(=O)(=O)CC 260939212 QVVXMPZTURESBH-OAHLLOKOSA-N 438.571 2.757 0 40 IFAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 408590630 KCLNKQKHXWKKKI-UHFFFAOYSA-N 446.569 2.916 0 40 IFAB CNC(=O)c1cc(O[C@H]2CCCN(C(=O)COc3ccc(C(F)(F)F)cc3)C2)ccn1 521669936 UFCCRRJYLTVAKE-KRWDZBQOSA-N 437.418 2.909 0 40 IFAB COCCN1C(=O)C[C@@H](c2ccccc2)C12CCN(C(=O)Cc1ccc(F)cn1)CC2 585113190 LTXYQHYBGNVNFL-NRFANRHFSA-N 425.504 2.787 0 40 IFAB CC(=O)c1cc(C(=O)N2CC[C@@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)n[nH]1 1565556837 ZTPNDBSNCCKLAF-XMMPIXPASA-N 431.496 2.705 0 40 IFAB O=S(=O)(c1cccc2nsnc12)N1CC[C@@H](Oc2ccncc2Br)C1 1775972571 LGWAOXQHMABKPQ-SNVBAGLBSA-N 441.332 2.691 0 40 IFAB O=C(CCc1ccccc1)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 1775974454 SECIVBPKYOEGQY-UHFFFAOYSA-N 427.512 2.858 0 40 IFAB COCCCN1CCC[C@]2(CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)C1 2056223317 FWPPEJGEFCNXHR-NRFANRHFSA-N 426.579 2.607 0 40 IFAB COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC[C@H]3CCCO3)cc2c1 880109 XTOIOLGDPSKFCI-MOPGFXCFSA-N 431.558 2.571 0 40 IFAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 3531073 YIXBXIBWYNEECR-QGZVFWFLSA-N 438.505 2.670 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 8650905 HHMYTUJHCHPWPO-UHFFFAOYSA-N 426.494 2.951 0 40 IFAB NC(=O)c1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)cc1 8727521 WFHROHLVICYMEE-WYMLVPIESA-N 439.493 2.820 0 40 IFAB CCOC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 8769901 PAVDOKHBDHWHIM-UHFFFAOYSA-N 442.537 2.882 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1 9263749 NQECPDKAQSYCHA-YOEHRIQHSA-N 431.562 2.792 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cccs1 9309868 SUIMLJWQUUJXNR-OTMARIDSSA-N 443.550 2.519 0 40 IFAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N1CCS[C@H]1c1ccccc1F 9413882 MLNWPNFLGJPVSV-SIKLNZKXSA-N 441.484 2.630 0 40 IFAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1 9575639 KFXGGKWJUDLCRB-INIZCTEOSA-N 440.518 2.636 0 40 IFAB COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1S(=O)(=O)N1CCOCC1 9632014 RBBGITVNTFJPBC-UHFFFAOYSA-N 447.538 2.887 0 40 IFAB O=C(c1cnc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9671520 JGGTUPKMKZSDKB-UHFFFAOYSA-N 432.505 2.930 0 40 IFAB COc1ccccc1OC[C@H](O)CN(C)S(=O)(=O)c1ccc(Br)cc1 9851306 ONVSBGUCGSWBEM-CQSZACIVSA-N 430.320 2.518 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C1 9955830 RUGAZAJAZXKDKO-INIZCTEOSA-N 442.541 2.758 0 40 IFAB O=C(Cc1ccsc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 9956490 XQSXDMASGJDCMK-UHFFFAOYSA-N 449.598 2.941 0 40 IFAB Cc1ccc(NC(SCC(=O)N2CCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 9973921 XNJOMWMSUBRKCO-UHFFFAOYSA-N 444.557 2.723 0 40 IFAB CCOc1ccc2nc(NC(=O)[C@@H](C)N3C(=O)c4ccccc4S3(=O)=O)sc2c1 10188068 XDBGYLBFUSLWMW-LLVKDONJSA-N 431.495 2.867 0 40 IFAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)NCc1ccc(F)cc1 10255480 ZCMQQJSARVRJPY-KRWDZBQOSA-N 431.533 2.849 0 40 IFAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc(NC(C)=O)cc4)ncnc32)cc1 11758683 PLDZFCFXVPCPAM-UHFFFAOYSA-N 449.496 2.908 0 40 IFAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCC3CCCCC3)CC1)NC2=O 12086546 DNOBABRNGLWZRU-XDHUDOTRSA-N 426.561 2.944 0 40 IFAB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 12180687 METXFTNAENNYAY-UHFFFAOYSA-N 427.408 2.558 0 40 IFAB CN(CCc1ccccn1)c1nc(N2CCOCC2)nc2c1CCN(Cc1ccccc1)C2 12222425 RHEGAYBFVTWFMV-UHFFFAOYSA-N 444.583 2.945 0 40 IFAB Cc1nc(C)c(-c2nnc(SCc3nnc4n(C)c(=O)c5ccccc5n34)o2)s1 12760094 CHNYRQULVUGIQN-UHFFFAOYSA-N 425.499 2.997 0 40 IFAB CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](c2ccccc2)C1 12763813 YJHRHTADPFEIBD-QHCPKHFHSA-N 441.597 2.919 0 40 IFAB COC(=O)c1ccc(OC[C@@H](O)CSc2nnnn2-c2c(C)cccc2C)c(OC)c1 12849045 TVKGGSVKBCLFFX-MRXNPFEDSA-N 444.513 2.606 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 12975692 RGFQYKLJWSCWHN-INIZCTEOSA-N 444.329 2.861 0 40 IFAB CCc1cccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 12979247 TVZOOBFZFBLSHD-UHFFFAOYSA-N 443.525 2.970 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1 13138222 WEFZZJVHZDAMJO-UHFFFAOYSA-N 449.529 2.612 0 40 IFAB Cc1cc(C)cc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1 13501951 FXWBDBWPYNOJAH-GOSISDBHSA-N 444.557 2.807 0 40 IFAB COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(C[C@@H]2CCCO2)CN3)cc1OC 13577219 PPCAGCKXXGXXAK-HNNXBMFYSA-N 432.546 2.530 0 40 IFAB CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)ccc1Cl 16591675 VRZXFCXBFYPKKT-NSHDSACASA-N 427.876 2.803 0 40 IFAB Nc1nc(SCC(=O)NCc2ccc(F)cc2)ncc1S(=O)(=O)c1cccs1 16842500 ACZPKQPNRHATCC-UHFFFAOYSA-N 438.531 2.501 0 40 IFAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 18151203 MWKNEVLPQBBAEV-UHFFFAOYSA-N 446.569 2.814 0 40 IFAB Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 18285165 QBZFOJBKWDXBPC-ROUUACIJSA-N 444.491 2.617 0 40 IFAB Cc1nc(C)n(CCNC(=O)C2(C[C@@H]3CC(c4ccc(F)cc4)=NO3)CCOCC2)n1 19286025 LJHAAAMFKVVQKT-IBGZPJMESA-N 429.496 2.530 0 40 IFAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)cn1 19290563 SULQHMFMRVSDPP-NRFANRHFSA-N 438.576 2.809 0 40 IFAB NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)C1 19293347 VKPPJBOBAIKKOE-INIZCTEOSA-N 444.919 2.685 0 40 IFAB O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 19348155 PSTQVYLDFCNKCH-HXUWFJFHSA-N 438.503 2.500 0 40 IFAB COc1ncc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)cn1 19572012 XPVSHRIUICNPHC-LJQANCHMSA-N 438.532 2.649 0 40 IFAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19739430 MPEGYXNLWWMQDC-MRXNPFEDSA-N 432.521 2.543 0 40 IFAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 19741362 RZRVJPKADNYNCH-SFHVURJKSA-N 432.521 2.890 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1Cl 21181620 HLLZEGYFZGIBJM-UHFFFAOYSA-N 429.876 2.563 0 40 IFAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 22483631 SOKZEBDZQLXELO-SFHVURJKSA-N 441.507 2.800 0 40 IFAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 25404479 JTJFBKDWNPUZLH-XMMPIXPASA-N 446.503 2.766 0 40 IFAB O=C1CCSc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2N1 26539022 QLPKOGLUWSCBKX-UHFFFAOYSA-N 425.510 2.808 0 40 IFAB O=C(c1cccc(F)c1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 28039718 CYAQXMDUHYRVAH-UHFFFAOYSA-N 434.489 2.524 0 40 IFAB O=C(Nc1ccc(Br)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 30873055 ROLGYTCPICUITG-UHFFFAOYSA-N 439.331 2.863 0 40 IFAB CCCNC(=O)[C@H]1CN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2O1 32678564 GVLZTTFCNMKQRR-JOCHJYFZSA-N 448.523 2.724 0 40 IFAB CNC(=O)c1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1 32893484 VZGSPDINCJUZQG-UHFFFAOYSA-N 425.514 2.538 0 40 IFAB CCS(=O)(=O)N1CCCc2cc(NC(=O)CCS(=O)(=O)c3ccccc3)ccc21 38700206 ZMPQYUMLGBTDID-UHFFFAOYSA-N 436.555 2.591 0 40 IFAB Cc1cccc(-c2noc(CS(=O)(=O)[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)n2)c1 48235405 RMVSZITWYVHCSB-CQSZACIVSA-N 443.481 2.758 0 40 IFAB COc1ccccc1CNC(=O)Cn1cc(C(=O)N2CCCCC2)c(=O)c2ccc(C)nc21 49002188 IRMWTEHVIGPLHQ-UHFFFAOYSA-N 448.523 2.656 0 40 IFAB CN(C(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)c1ccccc1 49411532 STWRPWZTDUCCNR-UHFFFAOYSA-N 426.473 2.984 0 40 IFAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1C 60266384 XMFRCJFRSVCCAL-UHFFFAOYSA-N 436.555 2.985 0 40 IFAB Cc1oc(CN2CCOCC2)cc1C(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 72348213 MCGRXFXDNMJEKY-UHFFFAOYSA-N 448.523 2.826 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1OC 96114667 ZUWJEYUMBUGFCT-KRWDZBQOSA-N 436.468 2.645 0 40 IFAB biogenic COc1ccc(CN2C(=O)C[C@H](N3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 100210007 IVIDTPHIHNXCRS-FQEVSTJZSA-N 437.496 2.628 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21)Nc1cccc(F)c1 102001593 LHBZJKUSTCADTK-HOTGVXAUSA-N 446.236 2.520 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)O[C@H](C)C(=O)NC1CCCCCC1)C2=O 105126334 GCVOYEFPLIJPDS-CKNGIIGNSA-N 435.565 2.894 0 40 IFAB COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224877577 OVLGNVMSDZRSFR-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc21 225072693 LRFBAMJVZUKPHC-CYBMUJFWSA-N 449.529 2.779 0 40 IFAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 225197522 FRKASSVZXKKNQE-OAHLLOKOSA-N 436.505 2.953 0 40 IFAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 225220046 LHDDKPANECOPNO-UHFFFAOYSA-N 434.558 2.911 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1cc(Cl)ccc1Cl 225247490 AIHKRBLQWANGMI-CYBMUJFWSA-N 445.324 2.716 0 40 IFAB CCc1ncc(CN2CCO[C@H](c3cc(CCOc4ccccc4OC)n(C)n3)C2)cn1 257331227 XRXJBVIUECCBBS-QHCPKHFHSA-N 437.544 2.976 0 40 IFAB CCc1ccc(CN2CC[C@@]3(C2)CN(CCOC)S(=O)(=O)c2ccccc2O3)cc1 306123452 ANMWMROJZISIIL-HSZRJFAPSA-N 430.570 2.923 0 40 IFAB Cc1ccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)cc1O 585107427 VOQSWQLHVZRHJU-RUZDIDTESA-N 445.523 2.536 0 40 IFAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Br)cc4)[C@H]3C2=O)cc1 2786999 XYFJKFDMRHZTCA-DLBZAZTESA-N 442.273 2.689 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8634759 WTOHZUGCYVUDBQ-KRWDZBQOSA-N 437.681 2.903 0 40 IFAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CCN(c4ccccc4)C[C@@H]32)C1=O 8768169 KYJQXUSOYBKPOD-LJQANCHMSA-N 438.915 2.628 0 40 IFAB Cc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)[C@H](c3ccco3)C2)cc1 8966196 RTBKXEJWNHSLHD-IBGZPJMESA-N 448.479 2.999 0 40 IFAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)N2CCOCC2)c1 9138916 MFWQGIBHIXIAPK-UHFFFAOYSA-N 447.553 2.650 0 40 IFAB CC1CCN(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 9284733 BSPBNLOCFAWBQN-UHFFFAOYSA-N 430.526 2.927 0 40 IFAB CCn1c(=O)c2sccc2n2c(CCCC(=O)NCc3cccc(OC)c3)nnc12 9431391 DTMOZTXFBGCPOG-UHFFFAOYSA-N 425.514 2.773 0 40 IFAB O=C(NCc1nnc(SCC(=O)N2CCc3ccccc32)o1)c1c(F)cccc1F 9518623 MSHOAKKCDOOYPR-UHFFFAOYSA-N 430.436 2.959 0 40 IFAB O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(c2ccccc2)CC1 9597147 XYQLEAZNKQCIEQ-UHFFFAOYSA-N 449.580 2.907 0 40 IFAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1OC 9615141 HRAUUYKWVTYBGR-GFCCVEGCSA-N 446.558 2.985 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccnc2OCC)NC(=O)N[C@@H]1c1ccccc1 9630388 LYWNBSVTOPLWCN-GOSISDBHSA-N 425.441 2.508 0 40 IFAB Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 9744506 YGAFFSWNMRAVSK-SFHVURJKSA-N 447.532 2.822 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 9807136 ZVJYBCUMHMZNSE-GOSISDBHSA-N 449.960 2.865 0 40 IFAB Cc1ccc(C2=NN(C(=O)Cn3nnn(-c4ccccc4)c3=O)[C@@H](c3ccco3)C2)cc1 9910445 FXJMUXINCMFWBJ-HXUWFJFHSA-N 428.452 2.708 0 40 IFAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 9960272 FPHRTEQWKDUXRD-UHFFFAOYSA-N 440.525 2.600 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)c4csc(NC(C)=O)n4)C3)nn2c1O 12134717 GHBLYFYGYDJCPR-CYBMUJFWSA-N 428.518 2.740 0 40 IFAB CC(C)C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)O 12798127 YBUPCVYSXKFKSB-ZIAGYGMSSA-N 438.575 2.893 0 40 IFAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2 12945921 AQOIKAYNCSDWMC-UHFFFAOYSA-N 434.851 2.944 0 40 IFAB COCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 13533275 UQEIVHGUBKJFQQ-UHFFFAOYSA-N 425.869 2.692 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 13729641 CKLGQEQMNVWABG-UHFFFAOYSA-N 441.491 2.790 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 14095894 IGNXETBTWOBDAJ-OWJWWREXSA-N 435.480 2.766 0 40 IFAB CCOC(=O)c1c(NC(=O)CSc2nc(=O)n3ccc(C)cc3n2)sc2c1CCC2 16689517 BCDDKLDHKQMCBH-UHFFFAOYSA-N 444.538 2.856 0 40 IFAB CCN(CC)CCN1C(=O)[C@@H]2CN(Cc3cccc(C)n3)C[C@]2(C)NC(=O)c2ccccc21 19526397 AOZOHLMEUXPGAE-NVQXNPDNSA-N 449.599 2.699 0 40 IFAB CNc1nc([C@@H]2CCCN2C(=O)CCc2ccccc2OC)nc2c1CCN(C(C)=O)C2 19707357 VDUUSYHIVBFJPE-FQEVSTJZSA-N 437.544 2.728 0 40 IFAB Cc1nc(C2CCN(C(=O)CN3CCCC3)CC2)nc2c1CCCN2Cc1ccccn1 19752654 SUFVZCXVDZVBCJ-UHFFFAOYSA-N 434.588 2.935 0 40 IFAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC 20018850 YIWCPZIBOUOFGJ-HNNXBMFYSA-N 436.530 2.647 0 40 IFAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 22283865 KYDGJBXCIQKVRZ-HNNXBMFYSA-N 448.445 2.953 0 40 IFAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 22799576 LLZYFHLYTCGFCH-QGZVFWFLSA-N 445.633 2.738 0 40 IFAB CCOc1ccc([C@H](c2nnnn2CCOC)N2CCN(Cc3ccccc3)CC2)cc1 22928875 OGRAYXBEHBXDNY-HSZRJFAPSA-N 436.560 2.625 0 40 IFAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 25284498 YKRZRAIYORFYJQ-OAQYLSRUSA-N 439.537 2.749 0 40 IFAB COc1ccc(-c2nnc3sc(SCC(=O)N(C)c4ccccc4)nn3c2=O)cc1 27526592 HQOQTFQRHACTDS-UHFFFAOYSA-N 439.522 2.977 0 40 IFAB CCN1CCN(CCNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 32579028 HJUNFKAMYGEARP-UHFFFAOYSA-N 435.528 2.536 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cccs3)CC2)cc1 32809951 XNTADKGTTQHIQQ-UHFFFAOYSA-N 426.585 2.772 0 40 IFAB O=C(CSc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(F)cc1F 32927123 XIDFAGXCXGXHCY-ZDUSSCGKSA-N 432.452 2.980 0 40 IFAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)cc1S(=O)(=O)NC1CC1 36037934 BVPZTWVIJQBSEK-UHFFFAOYSA-N 430.530 2.774 0 40 IFAB CCCCCN(Cc1ccc(F)cc1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O 40072303 MAOKSGLQOIUPKI-UHFFFAOYSA-N 426.286 2.657 0 40 IFAB COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c(OC)c1 44792384 MUARCIYIPMHVGP-UHFFFAOYSA-N 441.509 2.611 0 40 IFAB Cc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2n1 49002198 AFCMYSUNCOQVPT-UHFFFAOYSA-N 448.479 2.698 0 40 IFAB COc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)c(OC)c1 57315797 WUIMNLIQTATTSM-UHFFFAOYSA-N 443.266 2.830 0 40 IFAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 58167778 BHNUJWGKKIVIAT-ZDUSSCGKSA-N 433.421 2.817 0 40 IFAB O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58167926 OOFROAOSUPSVCJ-OFNKIYASSA-N 433.556 2.635 0 40 IFAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)cnc23)c1 67235623 RKJVEKNQHKRBKX-UHFFFAOYSA-N 432.436 2.778 0 40 IFAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)CCN3C(=O)CCNC3=O)n2)sc1C 72375852 WAIJAWILLLBCNZ-MRXNPFEDSA-N 442.545 2.894 0 40 IFAB Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 89669148 HYLUSFAUFBQDJC-BWKNWUBXSA-N 435.524 2.778 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101322958 ZWLDBYMBWNRDLB-HZPDHXFCSA-N 439.530 2.992 0 40 IFAB CCc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 224215858 XSHOIZANXUWHDT-LJQANCHMSA-N 446.569 2.854 0 40 IFAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)ccc21 225124125 IJLGVSNYWGUPEP-ZDUSSCGKSA-N 449.554 2.885 0 40 IFAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 225253688 JFDNHUSBRIOJAL-GOEBONIOSA-N 438.933 2.759 0 40 IFAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)n[nH]c1=O 225547881 WLGDELZFSWUADI-UHFFFAOYSA-N 432.484 2.947 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)N[C@H](CN3C(=O)COC3=O)c3ccccc3)cc2)co1 225639071 GXKFCPJBBCZAJQ-GOSISDBHSA-N 441.465 2.648 0 40 IFAB CSCC[C@@H](NC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027828 FCEJUIWAMCQBAA-RTBURBONSA-N 429.494 2.842 0 40 IFAB Cc1ccc2occ(CN3CCc4c(O)nc(N5C[C@H](C)O[C@@H](C)C5)nc4C3)c(=O)c2c1 257202577 AMLRJHOGWVUOPT-HOTGVXAUSA-N 436.512 2.769 0 40 IFAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@]3(Cc4ccccc4)CCCN3C)CC2)n1 257270007 MSJVKJUDVMEGGE-AREMUKBSSA-N 449.599 2.732 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)c2cccnc2Oc2ccc(C)nc2)CCN1Cc1ccccc1 257299478 RQFIYUUFIHBBOH-JOCHJYFZSA-N 445.523 2.650 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H]1CC(C)(C)Oc3ccccc31)O2 260578930 WYYMNJWYMOBYBX-OXJNMPFZSA-N 430.526 2.941 0 40 IFAB CN(C)CCn1ccc(-c2nc(C(=O)N3CCN(c4ccncc4)CC3)c3ccccn23)c1 306138966 SLWXBQZLOCQGMV-UHFFFAOYSA-N 443.555 2.722 0 40 IFAB Cc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 306142570 XDNHAUNNAALRLY-ILBGXUMGSA-N 429.524 2.577 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2F)CC1 408595721 STXHLSLQULRFGR-KRWDZBQOSA-N 441.528 2.995 0 40 IFAB CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NC3(c4ccc(F)cc4)CC3)c2)CC1 531463443 SVEPAIPPJYEMCU-UHFFFAOYSA-N 446.548 2.963 0 40 IFAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)c12 578921962 HGPPYJKDZGPVBC-GYCJOSAFSA-N 446.511 2.537 0 40 IFAB CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 2267132 VZHSXXUPQZBDOT-UHFFFAOYSA-N 436.531 2.885 0 40 IFAB CCN(CC)CCCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 2347851 CHZWLDGEHNEEBI-UHFFFAOYSA-N 430.578 2.960 0 40 IFAB C[C@H]1CCc2c(sc3nc(CSc4nnc(-c5cccnc5)n4N)[nH]c(=O)c23)C1 3275408 RNVBGMGPVCONGC-JTQLQIEISA-N 425.543 2.769 0 40 IFAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 3421086 QPRWREIEEVVVOX-UHFFFAOYSA-N 430.468 2.726 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O 3479963 ABBWKBNPWNGZBH-LLVKDONJSA-N 436.342 2.752 0 40 IFAB CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2OC)no1 8587228 BBMABVOIUDIBLH-UHFFFAOYSA-N 446.504 2.958 0 40 IFAB COc1ccccc1CNC(Nc1ccccc1Cl)=C1C(=O)N(C)C(=O)N(C)C1=O 8757643 KIPMYUQOJMJNPT-UHFFFAOYSA-N 428.876 2.812 0 40 IFAB Cc1cccc(NC(=O)CNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 9156206 KMZJDGOYMQWGMJ-ZDUSSCGKSA-N 438.553 2.955 0 40 IFAB O=C(NCCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9305028 MECLFYPZIMUJIJ-KRWDZBQOSA-N 444.582 2.841 0 40 IFAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N(CCc1ccccc1)Cc1ccccc1 9439065 MTLAALAMEQKAEE-UHFFFAOYSA-N 433.508 2.991 0 40 IFAB COC(CNC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2)OC 9661663 XPOTXFIKQKHPFI-UHFFFAOYSA-N 432.480 2.536 0 40 IFAB COCCn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713357 VHOKHYIGPBUTPH-UHFFFAOYSA-N 433.443 2.591 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O 9985691 KNDLITRGKXMGRH-UPCLLVRISA-N 441.528 2.646 0 40 IFAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 10009173 KNLSOAOBGUVENE-FOIQADDNSA-N 445.541 2.771 0 40 IFAB CCn1nc(C(=O)N2CCC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c2ccccc2c1=O 12134358 WOLUUDJCMLWOTR-MRXNPFEDSA-N 446.511 2.801 0 40 IFAB Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc(Cc2ccccc2)c1=O 12348148 USBABAKTNOIGEH-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2N)cc1OC 12348783 VMESNGRNWKFRHW-UHFFFAOYSA-N 427.486 2.610 0 40 IFAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 12741235 OCSXYIGPZHQTBF-IAQYHMDHSA-N 433.313 2.694 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CCN(Cc2ccccc2F)CC1 12792913 TWFARNSLMPGCLR-UHFFFAOYSA-N 432.927 2.694 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C(=O)O)C(C)C 12891046 VUXYGWVIHPLBTM-OAOYMFHYSA-N 446.548 2.819 0 40 IFAB biogenic CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12986164 SUBBRYZUKZIVBM-UHFFFAOYSA-N 449.920 2.668 0 40 IFAB CN1CCN(c2ccc(NC(=O)CCCNC(=O)C34CC5CC(CC(C5)C3)C4)cn2)CC1 14520719 NCWSAAITBVEWBB-UHFFFAOYSA-N 439.604 2.885 0 40 IFAB COc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 15026240 NNEUWSHGAANVEA-UHFFFAOYSA-N 438.496 2.733 0 40 IFAB COc1cccc(Cn2nccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1OC 15238737 LBJRMMKAUJQIGP-UHFFFAOYSA-N 434.452 2.573 0 40 IFAB CC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 16694346 ZGWICPFXZBPBKN-UHFFFAOYSA-N 429.542 2.704 0 40 IFAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H]4CC(=O)N(C(C)C)C4)C3)cc2n1 19522358 QBLJXXXIBMDGOM-KBPBESRZSA-N 437.466 2.883 0 40 IFAB CCN1CCN(C(=O)CCn2cnnn2)C[C@@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527514 HXRLMQRAZOZACW-JOCHJYFZSA-N 446.555 2.588 0 40 IFAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4S(=O)(=O)N(C)C)nc32)cc1 19740421 JXMDEYNFUSAXBZ-LJQANCHMSA-N 443.573 2.516 0 40 IFAB COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760650 ZRJFMTDPFDBRMJ-KRWDZBQOSA-N 441.532 2.515 0 40 IFAB Cc1ccn2cc(C(=O)N3CCCC[C@@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)nc2c1 19765666 YRKGHAKWPBXYHG-HXUWFJFHSA-N 448.527 2.581 0 40 IFAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 20459513 MUFMCNYKPGQXCC-CQSZACIVSA-N 428.470 2.692 0 40 IFAB O=C(NCc1cccc2ccccc12)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 21150839 UEDHNLYWFOOLJN-UHFFFAOYSA-N 445.502 2.982 0 40 IFAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 22932680 VOPDEDZYKIRZLZ-WMZOPIPTSA-N 440.510 2.956 0 40 IFAB CC1CCC(N(C)C(=O)CSc2nc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C2CC2)CC1 23563025 FUQWSBODTQDOLA-UHFFFAOYSA-N 443.573 2.821 0 40 IFAB C[C@]1(C2CC2)NC(=O)N(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)C1=O 32771177 XQXRZRQTCFHBCF-JOCHJYFZSA-N 425.558 2.606 0 40 IFAB CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 32818976 HNNSHKRJLKRVDT-UHFFFAOYSA-N 447.539 2.996 0 40 IFAB CN(C)[C@H](CNC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1)c1ccc(Cl)cc1 36358201 UCSVBEYUXMUYIG-GOSISDBHSA-N 434.945 2.873 0 40 IFAB CS(=O)(=O)N1CCC(NC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 36398011 DEYBLXLBZGIRLR-UHFFFAOYSA-N 447.504 2.912 0 40 IFAB Cc1oc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCC1 40133450 RRKCVSKNMKUKKW-CQSZACIVSA-N 437.587 2.611 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 40159117 AYXMUKNHXZBMML-CHWSQXEVSA-N 440.905 2.586 0 40 IFAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)o1 48231687 LYNIEAZVLMOORD-KRWDZBQOSA-N 442.541 2.842 0 40 IFAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn(C(C)(C)C)c1C 48261975 ZEWJGPCDIVKTON-UHFFFAOYSA-N 427.505 2.863 0 40 IFAB COc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc1OC 49007238 WZSUIKPJHRKPFM-UHFFFAOYSA-N 440.525 2.606 0 40 IFAB O=C(Cn1cnc(-c2cccs2)cc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 49028358 ZJBUQHDVURSGNJ-UHFFFAOYSA-N 449.458 2.734 0 40 IFAB Cc1cc2nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)n2c(Nc2ccccc2C)n1 49410629 QOFRFFMHIOAZSA-UHFFFAOYSA-N 446.467 2.661 0 40 IFAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2OC)c(=O)c2sccc21 57490683 SVHACOPUDDJCIP-UHFFFAOYSA-N 437.477 2.870 0 40 IFAB COc1ccc(-c2cnc(CN3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)o2)cc1 60105749 CTJWEXZXUXSMBU-JOCHJYFZSA-N 435.480 2.977 0 40 IFAB C[C@@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)Nc1ccccc1C(F)(F)F 72312591 NLMAQRYIRQMXGR-BIBXISHDSA-N 449.385 2.944 0 40 IFAB COC(=O)[C@]1(NC(=O)C2=Cc3cccc(OC)c3OC2)CCCN(Cc2ccccc2)C1 79071327 GGAJSSZRQFSCPT-VWLOTQADSA-N 436.508 2.795 0 40 IFAB COc1ccc(C[C@@H](CO)CNC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1O 79076256 WTHCCQFLARPOFU-FUHWJXTLSA-N 442.556 2.784 0 40 IFAB CCOC(=O)Cn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2ccccc21 100877255 VHDAZFOAXBQVGU-FCQUAONHSA-N 437.477 2.660 0 40 IFAB CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918478 OTLJDTMBQKLRPK-CJKSMWKJSA-N 448.556 2.715 0 40 IFAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1CCN1CCOCC1 223126938 APORXRLDGGUEEX-YADHBBJMSA-N 434.569 2.572 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(Cl)cc2)S(=O)(=O)N(C)C)c1 224186831 MQRHPXQJYLZCJM-UHFFFAOYSA-N 439.965 2.765 0 40 IFAB CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 225496831 YNHVVIFHRQXGDK-UHFFFAOYSA-N 432.542 2.811 0 40 IFAB CO[C@@H]1CCN(c2ccc(C(=O)N3CC(n4cc(COc5ccccc5)nn4)C3)cc2)C1 245053426 OTYFDUCXWCGQPT-HSZRJFAPSA-N 433.512 2.779 0 40 IFAB C[C@@H]1CCCN(c2ncc3c(n2)C[C@H]2CC[C@H]3N2Cc2ccnc(N3CCOCC3)n2)C1 257287063 POIHGVMYUKNCST-SFGWALBWSA-N 435.576 2.601 0 40 IFAB CCNC(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 306133319 MIJADIWKIAQMDL-URXFXBBRSA-N 442.535 2.957 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4ccccc4C)C[C@@H]2C3)cc1 306136602 PXUJCXRZUCHNRU-IRXDYDNUSA-N 431.496 2.792 0 40 IFAB Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1C 408591043 IANGBGVYCGHOEK-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2F)CC1 408595722 STXHLSLQULRFGR-QGZVFWFLSA-N 441.528 2.995 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408651520 BEIDHJDAXHTFPR-NHQIJDEQSA-N 444.915 2.962 0 40 IFAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(OC)c1 408666284 HBLKZQSIURDHMZ-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1 409146422 UAVXXRRJKBAWHO-LICLKQGHSA-N 442.449 2.834 0 40 IFAB Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](COc2ccc(-c3cccc(F)c3)nn2)C1 1888921891 VDKLMJJFZFYUEC-HNNXBMFYSA-N 431.493 2.712 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 2655960 NRAWEDFFNPLFLY-UHFFFAOYSA-N 429.476 2.807 0 40 IFAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC(C)=O)cc3)N2C1=O 3636777 NQOHBBOMKJQTJR-WMZOPIPTSA-N 432.498 2.840 0 40 IFAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)nc1 6156808 FTPLHQVNFQCOMD-UHFFFAOYSA-N 430.313 2.970 0 40 IFAB O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8675408 SRQGQBHTNYAIRK-QFIPXVFZSA-N 438.505 2.513 0 40 IFAB Cc1nc2c(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)nc(-c3ccc(F)cc3)c2s1 8955531 GYZQQFFWCVVOQZ-UHFFFAOYSA-N 437.456 2.705 0 40 IFAB O=C(O)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)c1ccccc1 8970943 ARZXOGOUZVJXHQ-NHCUHLMSSA-N 443.459 2.828 0 40 IFAB biogenic CCOC(=O)c1ccc(-n2c(C)cn3c4c(=O)n(CCC(C)C)c(=O)n(C)c4nc23)cc1 9829429 BJTOLAGVGMSKFY-UHFFFAOYSA-N 437.500 2.670 0 40 IFAB CC(C)[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 10494421 DNAPNGIUEVOICY-LJQANCHMSA-N 437.587 2.966 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 11582646 IHWMJSAGIIWPGA-UHFFFAOYSA-N 436.917 2.981 0 40 IFAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccccc3F)CC1)NC2=O 12086539 XLEMGYUUEKODHW-VOIUYBSRSA-N 438.503 2.703 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@H](C)Oc2ccccc2)NC(=O)N[C@@H]1c1cccs1 12804768 URJAHKXTDAFIAK-FZKQIMNGSA-N 430.482 2.930 0 40 IFAB CSCC[C@H](C(=O)O[C@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O 12813846 CLDXTHJTSQRUTP-RDTXWAMCSA-N 432.542 2.785 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCCCC3)CC2)cc1 12896770 SXIUKBNLDHLRAN-SFHVURJKSA-N 437.606 2.619 0 40 IFAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2cccs2)CC1 14244626 PPQMALTYRBYWHX-SFHVURJKSA-N 441.553 2.641 0 40 IFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C(=O)c1ccc(OC)cc1 15676419 AUQDYBPBGDFUJJ-NRFANRHFSA-N 435.480 2.689 0 40 IFAB biogenic,in-vitro O=C(CN(Cc1ccc(Cl)cc1)C(=O)c1csnn1)NCc1ccc2c(c1)OCO2 15936169 XAFUFFSHHBHULT-UHFFFAOYSA-N 444.900 2.879 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)n(C)c1 18396531 JWWZMYUNKUGWJO-UHFFFAOYSA-N 448.497 2.528 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cc(=O)[nH]c(-c2cccnc2)n1 19573949 ZORDBZYVDVBDLC-AEFFLSMTSA-N 449.536 2.868 0 40 IFAB O=C(NC1CCCC1)c1ccc(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)nc1 19705805 SPXNTVWUPDMIKX-UHFFFAOYSA-N 432.528 2.905 0 40 IFAB CCN(CC)C1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 19748308 CJFJPYPGBVPTCZ-UHFFFAOYSA-N 439.597 2.949 0 40 IFAB O=C1CCCN1c1ccc(S(=O)(=O)NCCc2csc(-c3ccncc3)n2)cc1 19942575 WISLBJKNNOYISK-UHFFFAOYSA-N 428.539 2.853 0 40 IFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1F 20716372 VSTHLZSUYUJKEL-BJOHPYRUSA-N 425.258 2.530 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(OC)nc2)c1 21184151 ATMRUODNPILOQH-UHFFFAOYSA-N 432.546 2.973 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)c1 21965576 GORWZXYMMZQPOG-KOSHJBKYSA-N 426.561 2.780 0 40 IFAB O=C1C[C@H](C(F)(F)F)N(C(=O)CN2CCN(c3ccccc3O)CC2)c2ccccc2N1 22240697 KTWVRYJILTXIFX-LJQANCHMSA-N 448.445 2.821 0 40 IFAB O=C(NCc1nnc2n1CCC2)c1ccccc1SCC(=O)N1CCc2ccccc21 24444440 XCFNZAIODXZSED-UHFFFAOYSA-N 433.537 2.836 0 40 IFAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 24984744 UHVMLKFNIWZAAX-DNVCBOLYSA-N 430.530 2.777 0 40 IFAB CNC(=O)c1cccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)c1 25629297 LRVHOUUXCFQUTL-UHFFFAOYSA-N 443.550 2.767 0 40 IFAB COc1ccc2c(C)c(CCC(=O)OCCN3C(=O)c4ccccc4C3=O)c(=O)oc2c1 26086606 RXYDUCQTPATOOW-UHFFFAOYSA-N 435.432 2.882 0 40 IFAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)OCCCO2 29243519 DOGMXQNQDXZMSE-LJQANCHMSA-N 430.526 2.662 0 40 IFAB Cc1ccccc1-c1noc(CN2CCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)CC2)n1 29835569 RAEVRCBKDSLVSM-IBGZPJMESA-N 449.486 2.954 0 40 IFAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 32131448 VXSJVZPJFPQGTN-SQGPQFPESA-N 442.537 2.958 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(Cc4ccncc4)CC3)c(Cl)cc12 36366701 DCNHVOZOSXXZEB-UHFFFAOYSA-N 427.888 2.873 0 40 IFAB COc1ccc(OC)c(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)c1 38486456 OTQQRPUCFFXMJC-UHFFFAOYSA-N 439.497 2.640 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)Nc2cccs2)CC3)cc1 38634127 LLLPDTMGCMMYLM-UHFFFAOYSA-N 437.543 2.802 0 40 IFAB CCc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccc(OC)cc4)c3=O)n2)cc1 44166606 NEDDDDSVVSAXHC-UHFFFAOYSA-N 429.440 2.647 0 40 IFAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1cccnc1-n1cncn1 48231562 LIGNFWRIMIGVGZ-OAHLLOKOSA-N 448.430 2.800 0 40 IFAB O=C(COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O)N1CCCC1 56949770 VIYGOMJXLZVGMZ-UHFFFAOYSA-N 431.920 2.617 0 40 IFAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O 57477535 OAPMZZGYXNRDGI-UHFFFAOYSA-N 431.876 2.883 0 40 IFAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)c(=O)c12 72347759 TVCMPUXAZGRFQW-INIZCTEOSA-N 430.574 2.895 0 40 IFAB Cc1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c2n1CCCC2 89708958 WTYSEEBRDDFOIM-LBPRGKRZSA-N 444.479 2.530 0 40 IFAB C[C@@H]1CCc2c(sc3ncnc(N[C@H](Cc4ccccc4)C(=O)NCCC(N)=O)c23)C1 95443210 KIIUGZNGHBOIFD-RHSMWYFYSA-N 437.569 2.831 0 40 IFAB O=C(C1CCC1)N1CCc2nc3cc([C@H]4CCCCN4C(=O)C4CCC4)nn3c(O)c2C1 100243279 OUIVCIUWIOZQDQ-HXUWFJFHSA-N 437.544 2.973 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2=O)cc1Cl 100791436 UPWHPEORGVZSOG-BZUAXINKSA-N 441.915 2.509 0 40 IFAB biogenic COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 102321286 SZRSFSBFNZSHFC-WOJBJXKFSA-N 433.464 2.837 0 40 IFAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3N3CCCN23)cc1 102681091 PZSBHXCUDDXJAN-GUDVDZBRSA-N 442.313 2.993 0 40 IFAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218157340 KFEZPHKSZLBFFM-IPJJNNNSSA-N 446.525 2.577 0 40 IFAB COC(=O)c1cccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)c1 219190947 JXYZFQUTCZYLPS-UHFFFAOYSA-N 446.481 2.640 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)CCCN(C)S(=O)(=O)c3ccccc3)n2)cc1 219728761 AUXQILJGHSAULH-UHFFFAOYSA-N 428.514 2.762 0 40 IFAB COC(=O)c1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 223242367 YRTCFYQLNAQSKE-LLVKDONJSA-N 442.440 2.553 0 40 IFAB Cc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1C 223777713 DAYMOHSYMRPAPB-UHFFFAOYSA-N 430.570 2.934 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)cc1 224488962 SWJBSUJRZMTPBK-OAQYLSRUSA-N 432.542 2.670 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1N1C(=O)CCC1=O 225529161 CHOUYMLNPYEQNS-UHFFFAOYSA-N 442.544 2.501 0 40 IFAB CCN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 226056434 BSAXZTFKAMKAMA-UHFFFAOYSA-N 447.532 2.640 0 40 IFAB Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1 408590395 GOPAYWOQYXYPTA-UHFFFAOYSA-N 438.933 2.995 0 40 IFAB O=C(O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 408869114 RCDGQYRSOJNBTF-SXGWCWSVSA-N 430.413 2.964 0 40 IFAB CCN1CCN(Cc2ccc([C@@H]3C[C@H]4[C@@H](N[C@H](C)c5ccccc5)NCN[C@H]4N3)cc2)CC1 604940865 FZKTWZZPPTUYSG-GJVZRYLUSA-N 448.659 2.628 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643555876 GNPLROHFEAKUTN-VWLOTQADSA-N 440.515 2.887 0 40 IFAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)C[C@@H](N2CC[C@H](n3cncn3)C2)C1=O 681590229 GDBJTFDCHWXACX-FXAWDEMLSA-N 449.898 2.741 0 40 IFAB CC(C)(C)OCc1cc(Cn2c(-c3cnccn3)nnc2N2CCOC(C)(C)C2)no1 1541227863 LWCKIEFSGKXKHR-UHFFFAOYSA-N 427.509 2.702 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(Cc4cc5ccccc5n4C)C[C@@H]23)n1 1549161134 DOAVIBYYHZEOOP-JOCHJYFZSA-N 446.555 2.952 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cc1C 1888990284 NLYGGQDVNDOXKH-UHFFFAOYSA-N 445.516 2.954 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 3384137 IEXMWSLUFNKCKY-UHFFFAOYSA-N 427.482 2.712 0 40 IFAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c23)C1 3416933 KOBDYNZIRHPFFW-NEPJUHHUSA-N 425.601 2.554 0 40 IFAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1S(=O)(=O)N1CCCCC1 8686729 YMLMYXBVDNYSSC-UHFFFAOYSA-N 438.527 2.669 0 40 IFAB CN(C)S(=O)(=O)c1cccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 8776015 NIKBDARIIVKODT-UHFFFAOYSA-N 425.506 2.916 0 40 IFAB CC(C)N(C(=O)CO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12)c1ccccc1 8833985 NJHYYAKMLCLPQN-QNDFHXLGSA-N 435.517 2.841 0 40 IFAB biogenic CSc1nc(NCC(C)C)c2cnn(CCNC(=O)COc3ccc(F)cc3)c2n1 8942776 IRCWYSIKEIGSDZ-UHFFFAOYSA-N 432.525 2.950 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 9155756 BFQMDJODMNPTRM-OAQYLSRUSA-N 442.313 2.801 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 9184479 DXFNPKMJZXKAQB-IBGZPJMESA-N 432.498 2.664 0 40 IFAB Cc1ccccc1OC[C@@H](O)CNC1CCC(NC[C@@H](O)COc2ccccc2C)CC1 9509786 ADCIBYAOLKOWOK-ULBZPVTCSA-N 442.600 2.973 0 40 IFAB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1 9571145 HSGUEFVKCTWJLO-UHFFFAOYSA-N 427.408 2.558 0 40 IFAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 9670958 MXOPERUNMHEYGS-UHFFFAOYSA-N 429.542 2.569 0 40 IFAB O=C(c1ccccc1Cl)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851716 OIDBGZKZIFNOCP-UHFFFAOYSA-N 433.903 2.885 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=S)NC[C@@H]2CCCO2)c1 9981083 GANASJZNRCDHDH-INIZCTEOSA-N 440.635 2.783 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)cc2)n1 10021952 VNXIFXFIQHMKKV-UHFFFAOYSA-N 438.459 2.882 0 40 IFAB CCn1c(C)cc2c(c1=O)[C@H](c1cc(Cl)c(OC)c(OC)c1)C(C(=O)OC)=C(N)O2 10166099 AJVRBXPRPZSZRC-HNNXBMFYSA-N 434.876 2.715 0 40 IFAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(OC(F)F)cc1 10294038 DVJRWYVJUUQWMD-UHFFFAOYSA-N 447.438 2.601 0 40 IFAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 10584952 HLZGKZUXBWLWOC-UHFFFAOYSA-N 444.509 2.859 0 40 IFAB CC(C)Oc1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030618 HCYRFKIYXFKNMS-QGZVFWFLSA-N 437.539 2.687 0 40 IFAB Cc1nc2cc([C@@H]3CCCN(C(=O)CCn4ncc5ccccc5c4=O)C3)nn2c(O)c1C 12134366 NGCNWEVBWCWWLK-GOSISDBHSA-N 446.511 2.558 0 40 IFAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12918380 RYBDMYQQJIFORC-SFHVURJKSA-N 436.530 2.814 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1 13017981 NZTCXNGYAFYRFN-UHFFFAOYSA-N 428.514 2.742 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccccc4)n(C)c3=S)CC2)cc1 13071860 AWRITASEQYMZAK-UHFFFAOYSA-N 443.598 2.891 0 40 IFAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CNC(=O)[C@@H]2CCCO2)n3C)cc1OC 13688049 FRBKRHWDGJWOAO-IBGZPJMESA-N 438.484 2.638 0 40 IFAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1 14093563 FZRFETJAURJFRJ-UHFFFAOYSA-N 444.388 2.818 0 40 IFAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 14129553 VPCQYHPSBHPMDJ-UHFFFAOYSA-N 449.617 2.626 0 40 IFAB CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCCC1 14232481 FTRUZYGYBIAMFM-UHFFFAOYSA-N 425.570 2.607 0 40 IFAB COc1cc(OC)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 14716608 JSGXWNRWSSKNOA-UHFFFAOYSA-N 441.889 2.931 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 14909853 XFGOURVTAYZVOK-SFHVURJKSA-N 445.585 2.525 0 40 IFAB CCOc1cc(C(=O)Nc2cc(OC)cc(OC)c2)ccc1OCC(=O)N1CCOCC1 15075436 LGYDZXBNYKQCAX-UHFFFAOYSA-N 444.484 2.592 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1 15470167 REJYUQIJEIDJRE-OAQYLSRUSA-N 449.507 2.846 0 40 IFAB O=c1/c(=C\c2ccccc2Br)sc2nc([C@H]3COc4ccccc4O3)nn12 16805678 QBAIKAJRRZLNOM-INQNZLQJSA-N 442.294 2.974 0 40 IFAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19572443 FBNTWECIDKXXPR-QFIPXVFZSA-N 448.560 2.555 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738823 GTGMHZIBIQNZDQ-LJQANCHMSA-N 444.539 2.670 0 40 IFAB C[C@H](CNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCCCCC1 19748201 HBSBNJVSLRUOOC-GOSISDBHSA-N 439.597 2.997 0 40 IFAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)ncc1C(=O)Nc1ccccc1 19755786 BUFISIDRQJQXST-SFHVURJKSA-N 440.529 2.687 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19920635 NVYLJMJIVWXQST-KRWDZBQOSA-N 441.915 2.766 0 40 IFAB CCCc1cc(=O)oc2cc(OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)ccc12 21619449 OXJYSKPJNTZJDS-KRWDZBQOSA-N 435.542 2.796 0 40 IFAB CC(C)OCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22231304 ZZZPJUNFDCQSCM-UHFFFAOYSA-N 434.558 2.963 0 40 IFAB Cc1noc(C)c1CSCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22323659 QPAJNAHWMCGGSV-UHFFFAOYSA-N 433.559 2.981 0 40 IFAB CCCOc1ccc(N(CC(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1 22401216 HECASBHPQHGKGM-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O 28947872 KJXURXZSTDFOKH-GFCCVEGCSA-N 433.563 2.779 0 40 IFAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 30753380 IKYVMGAESFSMDI-UHFFFAOYSA-N 434.468 2.541 0 40 IFAB CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)N(C)c4ccccc4)c(N)c23)C1 31808179 MPKWNXHCMLEIAH-UHFFFAOYSA-N 437.569 2.980 0 40 IFAB O=C1COc2cc(Br)ccc2N1CC(=O)N1CCn2c1nc1ccccc12 32924515 AVMBWGFDWMVEFU-UHFFFAOYSA-N 427.258 2.571 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)s1 33231563 HIEVSYMEIYXXMT-INIZCTEOSA-N 436.555 2.588 0 40 IFAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1)[C@@H]1Cc2ccccc2CN1 35807639 SAPRKDGLPXUFSO-BJKOFHAPSA-N 430.552 2.969 0 40 IFAB biogenic COc1ccc(C(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 36056658 PRTCGQRTMLEBJQ-GPMSIDNRSA-N 438.358 2.528 0 40 IFAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 36382466 MXDLDUWRLWADJC-GOTSBHOMSA-N 437.540 2.580 0 40 IFAB COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(S(N)(=O)=O)o3)cc2)cc1 36393286 AGWQGIYZTOJCDE-UHFFFAOYSA-N 430.438 2.545 0 40 IFAB Cc1ccc(N2C[C@@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1C 56925356 CNXNFFOVJRBNKE-NRFANRHFSA-N 435.572 2.530 0 40 IFAB CC(C)[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nc(-c2cccnc2)no1 58277637 UASLOHAFSWCJBV-BQFCYCMXSA-N 425.489 2.510 0 40 IFAB Cc1ccc(S(=O)(=O)C2(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)CCCC2)cc1C 58314639 MHGCOFCQVWRADG-QFIPXVFZSA-N 449.661 2.778 0 40 IFAB COc1ccc(Cc2nnc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)s2)cc1 62001441 ICMOJEHIFSRVKX-MPGHIAIKSA-N 447.586 2.802 0 40 IFAB biogenic Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3cc(-c4ccco4)on3)s2)s1 70635134 WFDLCJNKEYCKGG-UHFFFAOYSA-N 449.499 2.929 0 40 IFAB CS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3ccnc(-c4cccnc4)n3)C2)cc1 72335826 IMJKGFXOGLWXII-IBGZPJMESA-N 436.537 2.891 0 40 IFAB COCc1ccc(OC)c(CN2C[C@@H](c3c(F)cccc3F)[C@@]3(COCCC(=O)N3)C2)c1 72390469 OBCKHQRTIRULCT-UUOWRZLLSA-N 446.494 2.995 0 40 IFAB NS(=O)(=O)NC[C@H]1CCCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1 78990429 YLTQFJQVXPVNSK-CQSZACIVSA-N 435.981 2.685 0 40 IFAB COc1cc(C(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc(OC)c1OC 96096627 SAGZIZDKUYGGSI-UHFFFAOYSA-N 444.513 2.564 0 40 IFAB CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5cccnc5)CC4)nn3c(O)c2C1 100232650 RTASBVAAGVIKBJ-UHFFFAOYSA-N 434.544 2.894 0 40 IFAB CCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)c2ccccc21 101641623 QJROJJSJNZKVIF-VWLOTQADSA-N 434.540 2.886 0 40 IFAB COc1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(OC)c1OC 222570594 PBOOLSBDYGFPAE-UHFFFAOYSA-N 448.541 2.881 0 40 IFAB COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCCO)cc1OC 222806519 BVDZTYZGZHCDGX-MRXNPFEDSA-N 448.947 2.816 0 40 IFAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OCC)c(NC(C)=O)c2)nc1C 223262114 OZAFZYIHENGYCZ-UHFFFAOYSA-N 427.504 2.786 0 40 IFAB COc1ccc(C)cc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224599945 QWOCKUXICKZCBS-UHFFFAOYSA-N 445.585 2.682 0 40 IFAB COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)cc1 224734530 HNOURPJDEPATHQ-UHFFFAOYSA-N 442.287 2.589 0 40 IFAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CN(CC(=O)Nc3nc(C)c(C)s3)CCO2)n1 257223573 DXYYQXYNQGEDJP-LJQANCHMSA-N 426.546 2.876 0 40 IFAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)S(C)(=O)=O 260800819 YKTYQQZGAZQOIO-OAHLLOKOSA-N 436.530 2.746 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408657415 JYWUQWYSXIBAPG-QZTJIDSGSA-N 434.448 2.946 0 40 IFAB CCC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2sccc2C1 589075457 HFWGTLJMVBJXKA-RDTXWAMCSA-N 439.537 2.602 0 40 IFAB CN(c1ccccc1)c1ccc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cn1 589846804 WYHHGSRVEXYQIM-UHFFFAOYSA-N 432.528 2.865 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 983538 OQUQEFCEPGURGW-UHFFFAOYSA-N 434.514 2.958 0 40 IFAB C[C@H](CNC(=O)c1cncc(Br)c1)NC(=O)c1cncc(Br)c1 2311525 GMFQVRMRQWUSHB-SECBINFHSA-N 442.111 2.550 0 40 IFAB O=C(N[C@H](C(=O)O)C1CCS(=O)(=O)CC1)OCC1c2ccccc2-c2ccccc21 2583461 CFGFSMGWGYVIDH-FQEVSTJZSA-N 429.494 2.803 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NC[C@H]1CCCO1 2653606 FDDOGQVRPHQQFF-QGZVFWFLSA-N 427.501 2.971 0 40 IFAB CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1 2691778 RXQWNTCAWDWTIK-UHFFFAOYSA-N 429.523 2.896 0 40 IFAB CCOC(=O)c1c(NC(=O)Cn2nnc3ccccc3c2=O)sc2c1CC[C@H](C)C2 3617805 UNDHRNRKVKQUNQ-LBPRGKRZSA-N 426.498 2.793 0 40 IFAB CC(C)[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc2c(c1)OCCCO2 8276201 CPGMJRMUMVVZQW-FQEVSTJZSA-N 429.517 2.916 0 40 IFAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCO3)C1=O 8634895 ZPKSKZJSYGAGGV-LJQANCHMSA-N 431.242 2.828 0 40 IFAB CC[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 8725378 HDPJXMZXFVIEAP-INIZCTEOSA-N 429.952 2.900 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 8878134 ODIVOGBZXBNPLY-GGUYLBOXSA-N 446.503 2.839 0 40 IFAB O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)c1ccc(Cl)cc1 9016660 XRALQYZGBSMFFT-UHFFFAOYSA-N 425.851 2.864 0 40 IFAB Cn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1-c1ccco1 9166539 FTXXEBSDKAXSHX-UHFFFAOYSA-N 447.542 2.590 0 40 IFAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O)c1cc2ccccc2o1 9665972 HUNRUGGDVNUWMC-JBEBIEQOSA-N 449.463 2.848 0 40 IFAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3Cc2cccc(Cl)c2)n(C)c1=O 9707478 BEIUYYGOXXUGRV-UHFFFAOYSA-N 434.887 2.512 0 40 IFAB CC[C@@]1(C)NC(=O)N(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1=O 9750927 VZDMPIJZMQTRLF-HTAPYJJXSA-N 442.903 2.953 0 40 IFAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OCC)c3n2)cc1OC 10188017 RQEMYDNEZDFMAA-UHFFFAOYSA-N 449.467 2.681 0 40 IFAB CCCc1nc(SCC(=O)Nc2ccc(C)c(Cl)c2)c2c(=O)n(C)c(=O)n(C)c2n1 11758090 TYLFNXWVBZATAI-UHFFFAOYSA-N 447.948 2.672 0 40 IFAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCCCCCC3)CC2)Nc2ccc(Cl)cc21 12085642 RRMWIEHWLFHKAI-QFIPXVFZSA-N 432.952 2.997 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12770664 VPYUWGBLKSNABJ-OAHLLOKOSA-N 439.940 2.954 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)NCc1ccccc1 12798666 TYBMJOYROSLGKB-UHFFFAOYSA-N 447.333 2.654 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCCC[C@@H]3C)CC2)cc1C 12825688 DZORHUYXYGORGS-SFHVURJKSA-N 436.574 2.648 0 40 IFAB CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1 13011286 QEHUFKSOFSGAJV-HXUWFJFHSA-N 427.526 2.791 0 40 IFAB CCn1c(CN(C)CC(=O)Nc2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 13061696 MRDUTVZMXXZIGC-UHFFFAOYSA-N 443.573 2.685 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)NCc2ccco2)c1 13097959 RCFSGEUJTOEUMA-UHFFFAOYSA-N 445.522 2.588 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 13495978 PHJSTPGDPLWRKY-NRFANRHFSA-N 440.548 2.974 0 40 IFAB O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCCC1 13502757 QHGKTNMPPUIGGO-UHFFFAOYSA-N 449.598 2.504 0 40 IFAB COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c(OC)cc1Cl 15079582 NAXVRISHSMMDOL-UHFFFAOYSA-N 446.934 2.692 0 40 IFAB CN(C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)[C@H]1CCS(=O)(=O)C1 15513183 CAMOUBZYXLHTOY-KTZOAPACSA-N 437.514 2.617 0 40 IFAB CC(=O)N1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1 15674230 XNULQNFOMPHICH-WBVHZDCISA-N 440.422 2.754 0 40 IFAB biogenic,in-vitro CC(C)N(CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(C)C 16600103 IVBLSLJMSGPKET-UHFFFAOYSA-N 435.634 2.811 0 40 IFAB CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 18281230 LXWXMYJLHQNTFH-DEOSSOPVSA-N 434.496 2.501 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCn2c(=O)oc3ccccc32)c1 18699749 KNRZYIITHCCCLY-UHFFFAOYSA-N 431.514 2.962 0 40 IFAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19238672 CCHYIZACWYYFQG-MSOLQXFVSA-N 428.558 2.541 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 19313791 MKKYHIMYOKYEQL-HXUWFJFHSA-N 449.294 2.759 0 40 IFAB COc1ccc2c(c1)C[C@H](C1CCOCC1)N(Cc1ccc(OCC(N)=O)c(OC)c1)C2 19562510 MOLWHAHTCOFSEZ-JOCHJYFZSA-N 440.540 2.921 0 40 IFAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 19572122 GMCVMKGDPMPSSD-QGZVFWFLSA-N 433.512 2.505 0 40 IFAB COc1cc([C@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)cc(OC)c1OC 19589813 OFOWWZVVCXWPFT-HXUWFJFHSA-N 430.553 2.541 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 19695276 XUXPAQXJEUMBIC-UHFFFAOYSA-N 444.536 2.651 0 40 IFAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(C)c(C)c3)CC1)C2=O 19699516 QXRXMSFVTWEDOA-UHFFFAOYSA-N 442.560 2.811 0 40 IFAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN(C(=O)c3cccc(OC)c3OC)C2)n1 19709886 SQFDKFOKGWYTPC-INIZCTEOSA-N 441.532 2.534 0 40 IFAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 20013619 YVILDFHPCZLQCG-HNNXBMFYSA-N 436.530 2.600 0 40 IFAB O=C1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c2ccccc2N1 21009878 UOBNTXFDTWSZNM-CQSZACIVSA-N 439.946 2.930 0 40 IFAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3nn(CC)cc32)cc1 21713798 IOXPCOYBOXKXEW-UHFFFAOYSA-N 445.523 2.937 0 40 IFAB O=c1c2nnn(Cc3ccccc3Cl)c2ncn1Cc1nc(-c2ccc(F)cc2)no1 23126551 CAGIQRLWWHWMAJ-UHFFFAOYSA-N 437.822 2.927 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(Cl)c3c(c2)OCCO3)C1=O 23947840 RSUJKDNQHHZXIZ-OAQYLSRUSA-N 429.860 2.699 0 40 IFAB O=C(NCc1ccccc1)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 32744840 ZFAIIQQKSZYAAX-LJQANCHMSA-N 425.554 2.908 0 40 IFAB Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)cc1 33048507 KPVRSNQUTFLZIW-UHFFFAOYSA-N 426.564 2.503 0 40 IFAB O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 40024423 WYZFTQYISJBDJJ-UHFFFAOYSA-N 438.435 2.748 0 40 IFAB CSCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1nc2ccccc2[nH]1 40156180 GJQRZPAHKGJJOY-BEFAXECRSA-N 446.598 2.981 0 40 IFAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 57489826 TZTYENDHFYIQCA-UHFFFAOYSA-N 449.488 2.567 0 40 IFAB COc1ccc(OC)c(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 57506833 IHYYTWXYYFZJJQ-UHFFFAOYSA-N 447.542 2.671 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C[C@@H]2C)c1 60003657 LHAIHZNXGFPJCX-JXQFQVJHSA-N 443.613 2.950 0 40 IFAB COCCN1C[C@H](c2cc(N(C)C)nc(CN(C)Cc3cccc(Cl)c3)n2)CC1=O 72352056 JCVHBKJMPINRIQ-QGZVFWFLSA-N 431.968 2.790 0 40 IFAB CN(C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1S(C)(=O)=O 83855554 JLCGXPJZLGJICT-SJORKVTESA-N 449.495 2.971 0 40 IFAB COc1ccc(CN2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 96056148 BRCVXAOOMNLZAV-OFVILXPXSA-N 435.572 2.730 0 40 IFAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4ccc(Cl)cc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143790 VJTGZXQMRRTFIR-WMZHIEFXSA-N 431.964 2.909 0 40 IFAB O=C(NCC(=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1)OCc1ccccc1 96371051 RZZFYPNJAMHSPW-SFHVURJKSA-N 436.917 2.641 0 40 IFAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)nc12 100147060 UBESCYAKGBKWTD-AWEZNQCLSA-N 440.500 2.961 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3cc(OC)ccc3Br)C2=O)cc1 101167006 VIWUDRCCCUCZBH-SJORKVTESA-N 445.273 2.960 0 40 IFAB CC(=O)OCC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935725 KQTAJQABUFCAQB-VGOHEOHKSA-N 440.552 2.562 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1OC 220239256 BYJUJWRSYWDUJQ-KRWDZBQOSA-N 434.558 2.916 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(SCC(C)C)s2)cc1 223485692 WMFXGPYWTLCEEV-UHFFFAOYSA-N 430.577 2.554 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 225869566 HOKORWYTYGWLGE-UHFFFAOYSA-N 445.541 2.581 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 257261852 LJAAFOSLRIJNFF-DNQXCXABSA-N 437.584 2.972 0 40 IFAB Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)CCCS(=O)(=O)c3ccccc3)ccc12 257264861 LWGXUGNGUVTXQV-SFHVURJKSA-N 427.530 2.848 0 40 IFAB CC(=O)N(C)[C@H]1CCOC2(CCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)CC2)C1 257285003 PFFKRZUOMPFKPK-QHCPKHFHSA-N 441.616 2.960 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc3ccccc31)O2 260578923 WYYMNJWYMOBYBX-JXFKEZNVSA-N 430.526 2.941 0 40 IFAB COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)c(OC)cc1Cl 408591724 KAJNYDUSDKYBTQ-LBPRGKRZSA-N 442.921 2.980 0 40 IFAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1cc(C)ccc1C 409374867 ASWJLJZASOWWQL-GOSISDBHSA-N 435.484 2.896 0 40 IFAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 514288940 HCWHCAJDMCZNKO-GMAHTHKFSA-N 431.939 2.872 0 40 IFAB biogenic,in-vitro C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4cnc5c(c4)c(O)nc(=O)n5C)cc3)ccc2O1 533863277 HWFDCGZSIZEDJW-CQSZACIVSA-N 442.475 2.955 0 40 IFAB CC(C)(C)CCNC(=O)[C@@H]1CN(Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 585102010 WZTSJKUHBGAOEC-NRFANRHFSA-N 444.620 2.699 0 40 IFAB Cc1ccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)cc1O 585107428 VOQSWQLHVZRHJU-VWLOTQADSA-N 445.523 2.536 0 40 IFAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc2ccccc2s1 3231091 LVVVKELGVIRPSI-JXMROGBWSA-N 429.523 2.969 0 40 IFAB COc1ccc(CNC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1OC 3352825 LWLJAPFGBKYCGJ-KRWDZBQOSA-N 428.510 2.738 0 40 IFAB C[C@@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(N)=O 4574701 NLTGCWQJVYQJHP-UZLBHIALSA-N 441.528 2.691 0 40 IFAB COc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 8825794 KDVJUVDQYRHAQA-INIZCTEOSA-N 449.573 2.599 0 40 IFAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 8965582 GECRAKFKWWSYPL-IBGZPJMESA-N 433.464 2.887 0 40 IFAB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12C(=O)Nc1ccc(F)cc12 9446602 HZDYOIJXRNORLZ-HSZRJFAPSA-N 434.427 2.684 0 40 IFAB COc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)cc1 9556245 MZYXECBYUMYERN-KRWDZBQOSA-N 439.512 2.838 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2ccccc21 9613005 MKSHVZQOMIQGIN-UGKGYDQZSA-N 444.553 2.955 0 40 IFAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)NCc1ccc2c(c1)OCO2 9780774 DHAOABSFHOATNO-KRWDZBQOSA-N 427.438 2.719 0 40 IFAB CCOc1ccc(CC(=O)N(c2ccc(OC)cc2OC)[C@H]2C=CS(=O)(=O)C2)cc1 9833895 QHZVKTSEYPVRLG-KRWDZBQOSA-N 431.510 2.989 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(Cl)c1OCC(N)=O 10034759 UZHRVWWSYQJEAM-MRXNPFEDSA-N 446.887 2.961 0 40 IFAB O=C(NCCCn1ccnc1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 10188259 MNJWVJGKBXRTOG-UHFFFAOYSA-N 430.921 2.614 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10217832 RDCRFRAVTVFIAV-PXNSSMCTSA-N 449.548 2.773 0 40 IFAB CCN(Cc1ccccc1Br)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431116 HQCIAJYJPHXCPH-UHFFFAOYSA-N 429.318 2.956 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl 10455477 LFJLKACUMVOTEJ-UHFFFAOYSA-N 447.296 2.753 0 40 IFAB O=C(CCN(c1nccs1)S(=O)(=O)c1ccccc1)NC(=O)NCc1ccccc1 10844703 MHVOTBBHMJYZBN-UHFFFAOYSA-N 444.538 2.755 0 40 IFAB C[C@H](SCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)Nc1ccc(F)c(F)c1 11097766 FWIWRQIHHBENNT-NSHDSACASA-N 426.466 2.870 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1OC 12197425 PNUZHDMHKUQOIT-QGZVFWFLSA-N 434.514 2.548 0 40 IFAB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c[nH]c2ccccc12 12536396 XKNUJJHLDSCMTD-UHFFFAOYSA-N 442.541 2.802 0 40 IFAB COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 12686978 MENPSAOJPIFZRU-UHFFFAOYSA-N 438.933 2.941 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCSCc2cccs2)cc1 12887590 AJPUGGHMMIZQKM-GOSISDBHSA-N 440.612 2.959 0 40 IFAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)C[C@H](C)O1 12989292 NKJIZXGPCKTTOV-HOTGVXAUSA-N 446.507 2.844 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3cccc(Cl)c3)CC2)cc1 13030205 YZQDGYZBPTZKGC-KRWDZBQOSA-N 435.977 2.832 0 40 IFAB O=C(CCCc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036820 RQDFQANXMVRNMX-UHFFFAOYSA-N 427.512 2.882 0 40 IFAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2)C1 13040009 DSMRSTVBBVSWGB-MRXNPFEDSA-N 447.532 2.957 0 40 IFAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13164081 IEJKGNGBSQNIAG-FQEVSTJZSA-N 425.510 2.563 0 40 IFAB O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 13625011 JILUMUKGSFOFQH-IBGZPJMESA-N 441.553 2.531 0 40 IFAB CC(C)C[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)OCN1C(=O)c2ccccc2C1=O 14018948 MEDOMKCHDMBWEL-QGZVFWFLSA-N 429.860 2.676 0 40 IFAB COc1ccccc1NC(=O)Cc1noc(Cn2cnc3ccc(Cl)cc3c2=O)n1 14245767 YCXYIPVVDQZKRH-UHFFFAOYSA-N 425.832 2.671 0 40 IFAB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C[C@@H]1COc2ccccc2O1 16045894 OVONCUNOJSHCIE-CQSZACIVSA-N 426.498 2.585 0 40 IFAB COC(=O)c1ccc2c(=O)n(CC(=O)NCCc3ccc(Cl)cc3)c(=S)[nH]c2c1 16942344 MYKMWJFUSNUGNL-UHFFFAOYSA-N 431.901 2.858 0 40 IFAB Cc1cccc(Nc2nc(N3CCN(CCO)CC3)nc3c2cnn3-c2ccccc2)c1 17135420 JJFNISISAQXRBM-UHFFFAOYSA-N 429.528 2.982 0 40 IFAB Cc1cn(CC(=O)N2CC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)NC(C)C)C2)nn1 19238740 BTLLHDFXJCXXHA-VWLOTQADSA-N 446.555 2.635 0 40 IFAB O=C(CN1CCOCC1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 19346387 NNSYNLRCEWRFSL-UHFFFAOYSA-N 426.542 2.770 0 40 IFAB Cc1c(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cnn1C 19553896 WYUMWLZJUBTBKU-KRWDZBQOSA-N 449.577 2.595 0 40 IFAB COc1ccc(-c2noc([C@H]3CN(S(=O)(=O)c4ccc(F)c(F)c4)CCO3)n2)cc1 19558547 JOXUCDRQKRZFAB-QGZVFWFLSA-N 437.424 2.786 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CCc4ccncc4)C3)c2N)cc1 19558631 IVJWVASJFBAOJW-GOSISDBHSA-N 433.512 2.912 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(=O)N(C)C)C1 19582369 MFMDCRDSWBUXNA-DEOSSOPVSA-N 432.528 2.728 0 40 IFAB Cc1nc([C@@H]2CCCCN2C(=O)CCn2c(=O)cc(C)c3ccccc32)ncc1C(N)=O 19764678 QKTNOMIKTNDFQT-FQEVSTJZSA-N 433.512 2.651 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)cc2)c1 22612202 FNRYUPAFDIEIAB-ROUUACIJSA-N 441.528 2.552 0 40 IFAB COc1ccc(OC)c(CN2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 22931359 LDHCIHHYJZXTBI-UHFFFAOYSA-N 428.920 2.912 0 40 IFAB O=C1c2ccccc2C(=O)N1C[C@H](O)Cn1nc(-c2cccs2)c2ccccc2c1=O 25233660 ZGZYVGBFWANMBW-AWEZNQCLSA-N 431.473 2.782 0 40 IFAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 30257742 SEWVZBCJKDOTAJ-HNNXBMFYSA-N 428.439 2.694 0 40 IFAB O=C(C[C@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1 30937570 DTZLBSDOIOUMMQ-NRFANRHFSA-N 433.512 2.675 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CCN2CCCC[C@@H]12 32931758 QSWNRXUFUBCOEN-RTWAWAEBSA-N 433.508 2.848 0 40 IFAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 33653421 UGABDTYSWYXQQX-ZROIWOOFSA-N 445.431 2.802 0 40 IFAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1 35380393 OOWPPLNGLONDQO-NRFANRHFSA-N 442.947 2.690 0 40 IFAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3ccncc3)CC2)c2ccc(Cl)cc21 36357906 FXQLTBCAVMHWKJ-OAQYLSRUSA-N 442.903 2.718 0 40 IFAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)N2CCN(c3ccccn3)CC2)cc1 40142997 IKLDXJCPQGAHPM-UHFFFAOYSA-N 430.574 2.578 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 40149792 NATZWEPUCSOKKP-GOSISDBHSA-N 436.917 2.769 0 40 IFAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1OC 40161426 LKCVZSRVIFLODN-QPJJXVBHSA-N 435.454 2.764 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1ccsc1 48249140 ZTJMUDXYRNBCGF-OXJNMPFZSA-N 449.598 2.933 0 40 IFAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N3CCCCC3)c2=O)cc1 57428125 XQDWYUXCUFIHCN-UHFFFAOYSA-N 427.526 2.684 0 40 IFAB CCOC(=O)c1c(NC(=O)CNCc2ccccc2OC)sc(C(=O)N(C)C)c1C 57523059 NDBFXTYWUXUAOG-UHFFFAOYSA-N 433.530 2.672 0 40 IFAB COc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1S(=O)(=O)NC1CCCC1 58160175 WGKMLDNBXSGFFY-UHFFFAOYSA-N 432.546 2.659 0 40 IFAB O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCC(Cn2ccnc2)CC1 62128717 WKKCVIAPMQXQDR-MRXNPFEDSA-N 431.334 2.937 0 40 IFAB O=C1C[C@@H](N(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C2CC2)C(=O)N1 65534020 XOOAAXJEULHAOP-OAHLLOKOSA-N 430.258 2.656 0 40 IFAB C[C@]1(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCS(=O)(=O)C1 69084666 MHHHRCUBLQJJSF-RXVVDRJESA-N 434.945 2.895 0 40 IFAB Cc1nc(CN(C)C(=O)Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72371016 JYXAAJQSEGYCMX-UHFFFAOYSA-N 433.487 3.000 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cn2cncn2)C1 72391201 UFAPRRLTNCRMBV-QHCPKHFHSA-N 437.569 2.994 0 40 IFAB CC(C)(C)C(=O)COc1coc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 79486082 OIWZTUWVJCGVFJ-UHFFFAOYSA-N 442.512 2.680 0 40 IFAB CO[C@@H]1CCN(c2cc(C(F)(F)F)nc3ncnn23)[C@@H](CNC(=O)OC(C)(C)C)C1 96005721 LPDJPVGLTUFRRF-VXGBXAGGSA-N 430.431 2.652 0 40 IFAB CCOc1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 113964893 AZNXTNPEEIVTNJ-UHFFFAOYSA-N 448.541 2.719 0 40 IFAB CC(=O)O[C@@H]1CC[C@@]23[C@@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119177750 XLUGVKZDVVAUBL-DOLZXFHXSA-N 446.540 2.626 0 40 IFAB O=C(O)COc1ccc(Br)cc1/C=c1\sc2nc3ccccc3n2c1=O 144622710 JOUGRBYAMWIPRP-NVNXTCNLSA-N 431.267 2.683 0 40 IFAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N1CCC(C(=O)OC)CC1 219477610 RHLMRWUBPIPICR-UHFFFAOYSA-N 442.537 2.836 0 40 IFAB C[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222678257 IZEINMLCTLUSQS-LBPRGKRZSA-N 442.896 2.894 0 40 IFAB CCCSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)s1 223211335 MHUATKFUNNEZGU-UHFFFAOYSA-N 444.604 2.870 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)cc1N1CCCC1=O 223606122 NAFHQXNEJWANQD-UHFFFAOYSA-N 442.497 2.659 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3)no2)c1 223912823 PZLNVSXXUZAIAQ-UHFFFAOYSA-N 437.861 2.664 0 40 IFAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)n[nH]1 225563208 RMITYIMQHGTRCA-UHFFFAOYSA-N 436.394 2.705 0 40 IFAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 226401482 NQAKXRMWKLZAAY-OBRKIGFESA-N 432.398 2.795 0 40 IFAB COc1cccc(S(=O)(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)c1 257262528 LLTKCDFMZRPJTD-LIRRHRJNSA-N 438.933 2.682 0 40 IFAB CCOc1ccc(Cc2cccc([C@H]3CN(C(=O)c4cnc(N)nc4C)CCO3)n2)cc1 257269197 MOZGXOSNUYEERZ-JOCHJYFZSA-N 433.512 2.965 0 40 IFAB CCn1cc(CN2CCO[C@H](c3cc(CCOc4ccccc4OC)n(C)n3)C2)cn1 257272459 NCMDZJBBITXLHT-QHCPKHFHSA-N 425.533 2.840 0 40 IFAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(C)c1 408627083 XZXHSTZCPDLSRT-UHFFFAOYSA-N 434.514 2.878 0 40 IFAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@]12CCCN(Cc1cccnc1)C2=O 585106434 GULBABKHXIPBMX-CYFREDJKSA-N 447.543 2.631 0 40 IFAB Cn1ncc(C(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1Cc1ccccc1 1618130523 OXEOVWQDDASXMD-SFHVURJKSA-N 440.544 2.909 0 40 IFAB CCOCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 2655546 TYEWDNKLUKZXBJ-UHFFFAOYSA-N 440.525 2.653 0 40 IFAB aggregator CC1(C)CC(=O)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2C1 3199213 FFZFRNIRBMGIRA-UHFFFAOYSA-N 449.554 2.571 0 40 IFAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)s2)cc1 3247407 ZHSKDOFJBLZFJV-UHFFFAOYSA-N 435.556 2.968 0 40 IFAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c23)C1 3416936 KOBDYNZIRHPFFW-NWDGAFQWSA-N 425.601 2.554 0 40 IFAB CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)N1CCC(C(=O)OC)CC1 8635999 LWTBHAJVNSEDPH-HKUYNNGSSA-N 436.574 2.525 0 40 IFAB biogenic,in-vitro CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@H]1C 8706122 VKQFWQVTWYTRMY-KRWDZBQOSA-N 428.496 2.902 0 40 IFAB CSCC[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N1CCC[C@H]1C(=O)O 8792024 XLJXBPKOEOCTPH-HOCLYGCPSA-N 437.949 2.759 0 40 IFAB biogenic CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 9253730 TUBRIGMLJAQQEY-UGCAPWQASA-N 435.499 2.835 0 40 IFAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1 9263750 NQECPDKAQSYCHA-RHSMWYFYSA-N 431.562 2.792 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1=O 9413138 UHTSLHQDLSVROY-PSLXWICFSA-N 441.459 2.631 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 9442869 RMWBDBKXPXFZJJ-FQEVSTJZSA-N 432.432 2.590 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(F)c(F)c1 9761908 WYXIJRUBAZBLMC-UHFFFAOYSA-N 429.379 2.705 0 40 IFAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807131 RYPMFIJYTXVMTN-LJQANCHMSA-N 429.542 2.520 0 40 IFAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccccc1C(=O)Nc1ccccc1 9868214 AEAWUFXVXGKZPV-INIZCTEOSA-N 438.513 2.835 0 40 IFAB CS(=O)(=O)Nc1cccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 10548205 PTGUWCBDNTVRKG-UHFFFAOYSA-N 430.530 2.618 0 40 IFAB C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCC1 11411113 BYJDXJXPQPCIIY-AWEZNQCLSA-N 426.510 2.604 0 40 IFAB COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(Br)c3)nc21 12080849 WOKFCZXCBSOBIR-UHFFFAOYSA-N 440.257 2.646 0 40 IFAB Cc1ccc(CNC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccc(C)cc2N3)cc1 12086524 FVGDPJFKKQMKKR-AVRWGWEMSA-N 434.540 2.872 0 40 IFAB CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)nc2)C1 12157726 HCTHWKUFQDUHEZ-WIYYLYMNSA-N 429.590 2.854 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C)c3C)c2=O)cc1 12237809 SDZRQMVLHRXCRF-UHFFFAOYSA-N 431.452 2.624 0 40 IFAB CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCCC3)cc2OCc2ccccc2)C1=O 12391748 WEBADJKUEFRJGD-UHFFFAOYSA-N 443.525 2.839 0 40 IFAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1 12601156 IQZXAWXBBNQCHA-LLVKDONJSA-N 435.483 2.651 0 40 IFAB Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 12773051 SOEBSWUMLFCGOK-UHFFFAOYSA-N 437.949 2.743 0 40 IFAB CCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 12887670 CFPVYVPWJQGPJO-PRPYNDMISA-N 430.508 2.669 0 40 IFAB biogenic CSc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 13101473 DTBGYDLZGIPKDY-UHFFFAOYSA-N 435.571 2.694 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCC2)c2ccc(C)cc2)cc1 13646295 FWDMFYPDTNBYJL-UHFFFAOYSA-N 445.585 2.801 0 40 IFAB O=C(CSc1nn2c(=O)c3c(nc2s1)CCN(C[C@@H]1CCCO1)C3)c1ccccc1 15414336 TYWGLVFBNDTUQH-HNNXBMFYSA-N 442.566 2.663 0 40 IFAB CCCn1cc(S(=O)(=O)N2CCO[C@H](c3nccnc3-c3ccccc3F)C2)c(C)n1 19693357 GPVNYJJGCCTDQZ-SFHVURJKSA-N 445.520 2.960 0 40 IFAB CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)nc1-c1ccc(OC)cc1 19698982 IQQNBWWPYJFRJD-QGZVFWFLSA-N 433.512 2.789 0 40 IFAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccc1 19706551 HLYRZYRIARBCMW-HXUWFJFHSA-N 443.617 2.766 0 40 IFAB Cc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1C 19991820 CKXXQHCCWFDJGY-JXMROGBWSA-N 441.597 2.927 0 40 IFAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 20005649 HERQQPATWJBJHW-APWZRJJASA-N 434.558 2.898 0 40 IFAB CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc1ccc3c(c1)CCC3)C2=O 23673766 GCHCMXSLDISKSQ-UVOCGCJZSA-N 427.501 2.546 0 40 IFAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23956195 MNCFZXUPKATHPQ-INIZCTEOSA-N 441.578 2.908 0 40 IFAB CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 24613072 BUUIPNQBDNTXSD-UHFFFAOYSA-N 433.505 2.965 0 40 IFAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1C 25203605 PQXFVLVKOFMLRZ-KRWDZBQOSA-N 436.464 2.874 0 40 IFAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CS2 26308575 CAHFSNLFECDYLX-KDOFPFPSSA-N 428.480 2.593 0 40 IFAB Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 27662638 NFKOQEORYZONSB-UHFFFAOYSA-N 427.482 2.923 0 40 IFAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(c2ncc(Br)cn2)CC1 32104690 TZTLWIWYYDSONS-INIZCTEOSA-N 434.269 2.807 0 40 IFAB CCN(C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCS(=O)(=O)C1 32797217 JACBJQUJVSKVKD-RDJZCZTQSA-N 435.615 2.900 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 32967213 ZULSDJCLUDATNX-HXUWFJFHSA-N 449.573 2.690 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2nnc(CC(C)C)s2)C(C)C)cc1 59873860 QQDJMHKDWIBUPX-INIZCTEOSA-N 426.564 2.687 0 40 IFAB O=C1CN(C2CCCCCC2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 63376415 MMOFNVSYNNVNOS-ROUUACIJSA-N 441.391 2.986 0 40 IFAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4cccc(C)c4)CC3)nc2N)cc1 67336315 DMSVNAIMYJPRKB-UHFFFAOYSA-N 439.541 2.535 0 40 IFAB CC(=O)NC1(c2noc(CCC(=O)NC[C@H]3COc4ccccc4O3)n2)CCCCCC1 70009374 FKFLONNALOUHKA-KRWDZBQOSA-N 442.516 2.644 0 40 IFAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)COc2ccccn2)C1 72344824 ZUCDHOUOHXLPTH-IBGZPJMESA-N 433.512 2.862 0 40 IFAB NC(=O)[C@H](NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)c1cccc(Br)c1 89774391 NZKDUMVMICTASF-SMDDNHRTSA-N 442.722 3.000 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCCN2CCC(C(=O)OC)CC2)c2ccccc12 95954749 LNPTYLQTSDYCBK-UHFFFAOYSA-N 434.558 2.792 0 40 IFAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(Cc2nccs2)CC3)C1=O 96036463 NLNQDLQYLQRAHN-HSZRJFAPSA-N 425.602 2.875 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(=O)(=O)N(C)C)c1 224188130 TURSSOJYSMXXHM-UHFFFAOYSA-N 433.574 2.728 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CSCc2ccc(F)cc2)cc1 224240930 VGNCFSKPSIVHQZ-UHFFFAOYSA-N 426.535 2.504 0 40 IFAB O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742614 YIFVFGRMCICISD-UHFFFAOYSA-N 430.434 2.984 0 40 IFAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(CC(=O)Nc4ccccc4F)CCO3)n2)cn1 257304938 SNTKCIBIRCDVOK-QFIPXVFZSA-N 449.486 2.654 0 40 IFAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2C)CC1 408674607 CEYZCOLVBBYWOA-UHFFFAOYSA-N 445.585 2.956 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 408702132 CXPBJAVQYSOLGG-UHFFFAOYSA-N 437.512 2.860 0 40 IFAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cccn2c(O)nnc12 508537585 IXJWZVBUBXLBTO-UHFFFAOYSA-N 445.407 2.766 0 40 IFAB O=C(N[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1)c1ccc2ccccc2c1 532031669 VRNYWKALAZPCIC-IBGZPJMESA-N 427.460 2.758 0 40 IFAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)C)cc1 575422687 MRHPTWINHJWTGV-LJQANCHMSA-N 430.636 2.720 0 40 IFAB Cc1cc(OC[C@]2(O)CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cc(C)c1Cl 585282081 XNGGMZSGOXPHES-FQEVSTJZSA-N 430.998 2.587 0 40 IFAB Cc1cc(N2CCN(CCc3ccc(Br)cc3)CC2)nc(N2CCOCC2)n1 1889139528 SNOTXWKFPOOGSI-UHFFFAOYSA-N 446.393 2.749 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)c(C)n1 2037834599 UGXXNCXNBYJSTD-MRXNPFEDSA-N 448.574 2.877 0 40 IFAB COc1c2c(cc3c1[C@H](c1c(O)n(-c4ccccc4)c(S)nc1=O)N(C)CC3)OCO2 1322287 XPLWETOKXLDOMT-QGZVFWFLSA-N 439.493 2.541 0 40 IFAB biogenic CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C1 4325453 FYLZQLHJWXPYGZ-CQSZACIVSA-N 431.489 2.567 0 40 IFAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1=O 8754749 UQIUBLSZUPKZOD-RDPSFJRHSA-N 437.496 2.833 0 40 IFAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc(F)c1 8825159 ANCPOHJZDNHXJL-GOSISDBHSA-N 442.896 2.964 0 40 IFAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2N)c(OC)c1 9226870 DWXLZLQVIHHVOF-UHFFFAOYSA-N 444.879 2.730 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(Cl)cc3)n2C)s1 9263984 DWNKMHZFDGGOFA-UHFFFAOYSA-N 437.938 2.540 0 40 IFAB Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCN1Cc1ccco1 9518812 CWIXXOUEYVCWDW-UHFFFAOYSA-N 427.464 2.711 0 40 IFAB CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)cc1 9745827 SOQBFXKVXLXKRG-UHFFFAOYSA-N 428.558 2.617 0 40 IFAB CCc1cccc2c(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)c[nH]c12 9789035 HCJVIMMNGGGPTN-CYBMUJFWSA-N 432.571 2.811 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 10228408 ZYYUSXBJXUSCHA-SFHVURJKSA-N 433.549 2.535 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)c(OC)c1 12197445 NYPGQAJQPFEYTJ-KRWDZBQOSA-N 434.514 2.548 0 40 IFAB CSCC[C@@H](C(=O)O[C@@H](C)C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O 12813833 CLDXTHJTSQRUTP-KSSFIOAISA-N 432.542 2.785 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 12981891 KNXYHSYCDIEOKZ-NRFANRHFSA-N 430.844 2.850 0 40 IFAB COc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)ccc1OC(F)F 13041198 ZRSHDOQSNRQCIP-NRFANRHFSA-N 432.379 2.709 0 40 IFAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(Cl)cc3Cl)[C@@H]4C2=O)no1 13628580 HIRQDSRUPIDXSW-XNWPKKHHSA-N 434.279 2.893 0 40 IFAB O=S1(=O)C[C@H]2N=C(SCCCOc3ccccc3)N(c3ccc4c(c3)OCO4)[C@@H]2C1 13720757 QFZOQAOCVZSNJP-QZTJIDSGSA-N 446.550 2.959 0 40 IFAB C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 14230266 RQICSZYDCOEIMX-VIFPVBQESA-N 435.786 2.561 0 40 IFAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)COc2ccccc2C)CC1 17095015 GQPHRFCPYQIOKD-UHFFFAOYSA-N 426.542 2.556 0 40 IFAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1ccncc1)C2 19695745 WAZAXLFUAQBQLY-OAQYLSRUSA-N 432.503 2.894 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CCN(C)C2 19708641 IHTBIFDERCHPET-NRFANRHFSA-N 448.571 2.606 0 40 IFAB CCOC(=O)[C@H](C)n1c(=O)n(CC)c(=O)c2c3c(sc21)CN(Cc1ccccc1)CC3 19819682 UBDRKDZAYYJRFN-HNNXBMFYSA-N 441.553 2.927 0 40 IFAB O=C1C[C@H](C(F)(F)F)N(C(=O)CN2CCN(c3ccc(O)cc3)CC2)c2ccccc2N1 22240674 RNUJTPAADSQWHL-LJQANCHMSA-N 448.445 2.821 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 23110344 CILHKLXNSQJMFL-UHFFFAOYSA-N 447.601 2.907 0 40 IFAB CN(Cc1cnn(C)c1)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 24474406 IIMRLYQIQYDMHN-UHFFFAOYSA-N 445.372 2.786 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)CC(=O)c3ccc(F)cc3)s2)cc1 27664623 WHLMJBPMXQLEEB-UHFFFAOYSA-N 435.458 2.595 0 40 IFAB O=C1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H](c3cccs3)C3CCCC3)cc2)CCN1 32397904 MFYAOCRIXAWFMU-HXUWFJFHSA-N 447.582 2.530 0 40 IFAB COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccccc2)N2CCCCC2)cc1 36684925 MSDFYVJPJVDZKI-JOCHJYFZSA-N 445.585 2.707 0 40 IFAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 40390459 GRBSWAYYMRBNTN-IRXDYDNUSA-N 437.500 2.806 0 40 IFAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)COc3ccccc3Cl)s2)CC1 41077650 YHFWUAPQPSRSKC-UHFFFAOYSA-N 430.939 2.630 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cccc(F)c1 44874066 FYFBNOKZNFZGJF-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB CCN1C[C@@H](CN(C)C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)Oc2ccccc21 48355725 QYPPQAAZABUNQX-TZIWHRDSSA-N 438.507 2.650 0 40 IFAB CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 57350748 STOWUAHQLDEXHG-KRWDZBQOSA-N 429.567 2.948 0 40 IFAB CCn1c(=O)c2ccccc2n2c(CN3CCCN(Cc4ccc(F)cc4)CC3)nnc12 69929398 AQBPKAPRYQRJBU-UHFFFAOYSA-N 434.519 2.911 0 40 IFAB O=C(COc1ccc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)cc1)N1CCCC1 72339905 UXEIQIDCAVNJSP-UHFFFAOYSA-N 445.523 2.804 0 40 IFAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)[C@@H]2CCCO2)CCO1 72389320 DVSLNTREAMLXIU-XUZZJYLKSA-N 426.488 2.558 0 40 IFAB C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)N1CCC2(CC1)OCCO2 80356086 OFBQGIHKCULTFF-MRXNPFEDSA-N 435.480 2.979 0 40 IFAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(CNC(C)=O)cc1 95377711 BODLNMCFCIKRNB-HXUWFJFHSA-N 440.496 2.643 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cc1 95945439 ZSWVYSLTRKUOJU-WDJPJFJCSA-N 441.597 2.568 0 40 IFAB CCOC(=O)CN1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2Cc1ccccc1 96230404 ZXDSXEPUBDHLMK-UHFFFAOYSA-N 436.556 2.637 0 40 IFAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 101490858 VCSIXMQSIXAOHY-HXUWFJFHSA-N 437.496 2.774 0 40 IFAB COc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)c(OC)c1 102818735 UPXKLTKGDSBJDF-KBPBESRZSA-N 429.498 2.941 0 40 IFAB CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 106530216 QCYAKHFZJSIUPG-ZIFCJYIRSA-N 441.544 2.706 0 40 IFAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 208186515 KRMUSJBFIHWDDU-QRXMYIDTSA-N 441.531 2.851 0 40 IFAB CCOC(=O)c1cc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224870762 BKIKOJUMTCMLAS-UHFFFAOYSA-N 441.889 2.894 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 225207591 VVIZQUXHJWYBNF-LJQANCHMSA-N 445.585 2.705 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225528060 HMYIBQYEJLPYPQ-RBUKOAKNSA-N 446.569 2.988 0 40 IFAB O=C(CCN1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1)N1CCOCC1 257220674 DLROKKDXUKHHPE-JOCHJYFZSA-N 429.948 2.948 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257292346 QLBPOQSDKBOXLY-KRWDZBQOSA-N 445.476 2.525 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)Cn3c(C)cc4ccccc43)C2)nc2c1CN(C(C)=O)CC2 257322749 WHGAWVJZIOCMPM-IBGZPJMESA-N 446.555 2.702 0 40 IFAB CN(C)C(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(Oc3ncccn3)c2)C1 257334095 YEMMQDRPOFTYFQ-XMMPIXPASA-N 431.496 2.926 0 40 IFAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)cc1 260897544 MWYOPFMMBNYRJX-GOSISDBHSA-N 445.585 2.762 0 40 IFAB Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C[C@H](C(=O)NCc2ccc(F)cc2)O3)s1 306137739 REPGDNCTMYCEJP-LJQANCHMSA-N 445.560 2.817 0 40 IFAB O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1)Nc1ccccc1 408615163 MTNQETVQKCYQEI-KRWDZBQOSA-N 433.464 2.966 0 40 IFAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)Nc4cccc(F)c4)C[C@H]23)n1 1549161156 DVNWWACSLJURMO-SFHVURJKSA-N 440.479 2.632 0 40 IFAB COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C 642316 HSVYZLHRZWRURY-UHFFFAOYSA-N 429.477 2.624 0 40 IFAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCCCCC2)cc1 831445 MAWZERGAHUBBJM-FQEVSTJZSA-N 431.558 2.824 0 40 IFAB O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 2435175 SGGNUWMCYCOYSD-IRZJEQJZSA-N 449.507 2.721 0 40 IFAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1 8383905 KQAXOMJKMAJWFS-KRWDZBQOSA-N 425.437 2.651 0 40 IFAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)C1=O 8752093 KDSOKXDQDDTZKQ-DGIBIBHMSA-N 449.558 2.767 0 40 IFAB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 8753426 WMBRNBZZPWBXAM-VWLOTQADSA-N 448.523 2.891 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCC(C(=O)OCC)CC1 9235661 GTGBOJZBOFOUNF-UHFFFAOYSA-N 445.516 2.957 0 40 IFAB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9288694 DOEBUPWMQSDTDF-CQSZACIVSA-N 433.505 2.894 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Cl)c1 9615275 XPZJWRJOTGMIDG-UHFFFAOYSA-N 434.848 2.560 0 40 IFAB COc1ccc(NC(=O)CN2CCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 9635557 SPZCFGLKSHONPF-UHFFFAOYSA-N 429.542 2.871 0 40 IFAB CCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4OC)c(-c4ccccc4)cn23)n(C)c1=O 9713328 YYLJTPHWJGJWHU-UHFFFAOYSA-N 445.479 2.843 0 40 IFAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccncc1)c1ccccc1 9973015 DUGJNAUXOYHNSK-MOPGFXCFSA-N 434.404 2.556 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1C 9974556 MTVJNRDEMCCTTD-HNNXBMFYSA-N 432.498 2.772 0 40 IFAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4ccc5c(c4)OCCO5)nn3cn2)cc1 12085185 JNWDDEBTKOAPMR-HNNXBMFYSA-N 445.479 2.991 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)CC1 12195548 WNAFCWVKFUODCM-UHFFFAOYSA-N 443.953 2.621 0 40 IFAB O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCc2ccccc21 12521221 UTNLNSXPRLFAML-UHFFFAOYSA-N 434.477 2.860 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C(C)C 12697186 LYTHXDBATOJVJY-UHFFFAOYSA-N 448.541 2.857 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 14594885 ANYNMGYDUCWIPR-INIZCTEOSA-N 426.469 2.786 0 40 IFAB COc1cc(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 16742213 XLDYTSAKGJUQFV-OAHLLOKOSA-N 439.555 2.912 0 40 IFAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc3c(c2)OCO3)c2ccco2)cc1 16954368 ACNRBVFQFBPROT-FQEVSTJZSA-N 429.450 2.962 0 40 IFAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19527349 IWDTZIPGAHNBGP-IBGZPJMESA-N 448.498 2.739 0 40 IFAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(C2CCCCC2)CC1 20290891 SWRYJJYDYFBNFI-UHFFFAOYSA-N 428.533 2.852 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 20898390 XZIAUFOHTGTUIO-UHFFFAOYSA-N 430.526 2.962 0 40 IFAB COc1ccc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1OC 23777487 ATRVQSYBNZHXOX-UHFFFAOYSA-N 429.517 2.620 0 40 IFAB O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cc(Br)ccc1F 25134882 JNFRUHQTLXWDCZ-UHFFFAOYSA-N 435.702 2.950 0 40 IFAB O=C(NC[C@H](c1cccs1)N1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32761332 IJWMSYXUGFWSMN-FUHWJXTLSA-N 441.553 2.826 0 40 IFAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O 32830382 MSYVQNQRGCRWNO-HJPURHCSSA-N 439.468 2.572 0 40 IFAB O=S(=O)(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 33047635 FFKKYAZMZMKNSZ-UHFFFAOYSA-N 440.974 2.524 0 40 IFAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@H]1c1cccnc1 34897629 XLXCQPSCZFIKDR-GOTSBHOMSA-N 445.475 2.865 0 40 IFAB COC(=O)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1 35023261 IBMSVYIXYROWOT-VCBZYWHSSA-N 438.427 2.742 0 40 IFAB O=C(Nc1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)s1)C1CCC1 35316131 LAFQEJDRZTWGTA-UHFFFAOYSA-N 435.550 2.857 0 40 IFAB COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)cc1OC 36358779 MZDZZLIBHHRURB-UHFFFAOYSA-N 436.390 2.864 0 40 IFAB O=C(NC1CCCC1)c1cnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 40149432 SADMGTIJRFUJIK-UHFFFAOYSA-N 448.976 2.918 0 40 IFAB Cc1nc2c(-c3ccco3)nc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c2s1 41105074 BMAYCDRYHZYEEH-UHFFFAOYSA-N 435.509 2.770 0 40 IFAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855286 GIEIPMUNPCGPOT-JXFKEZNVSA-N 430.526 2.941 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 44910000 LYJFTFJFXLGJGQ-NRFANRHFSA-N 432.542 2.670 0 40 IFAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 48277845 CXUODXGUASQVCX-MRXNPFEDSA-N 430.530 2.644 0 40 IFAB COc1ccc(C(=O)Nc2ccccc2CN2CCSCC2)cc1S(=O)(=O)N(C)C 60220427 TWDJYFXAWBGKGV-UHFFFAOYSA-N 449.598 2.747 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)O2 64988627 NEVPOKLOAQGSEF-HXUWFJFHSA-N 445.541 2.689 0 40 IFAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 65499866 QPEVEJFTDQKJPV-IEBWSBKVSA-N 445.491 2.873 0 40 IFAB O=C(Cn1nnnc1-c1ccccc1F)Nc1cc(C(F)(F)F)ccc1-n1cncn1 72307036 PNYKCYMFQARCTN-UHFFFAOYSA-N 432.341 2.717 0 40 IFAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 78664234 HUURAYOCQSLEQO-CABCVRRESA-N 448.488 2.770 0 40 IFAB CN(C(=O)CCNC(=O)c1ccc(F)cc1F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 89335245 JMGGKBJHCWTGKE-INIZCTEOSA-N 442.871 2.725 0 40 IFAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCN2CCN(c3ccccc3)CC2)n1 95364997 ZQWRMGJHRISEDX-UHFFFAOYSA-N 430.984 2.918 0 40 IFAB COC(=O)CCC(=O)[C@@H](C(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)OC 104274383 WLXIRJYJEYZDHR-QGZVFWFLSA-N 432.256 2.593 0 40 IFAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1 139117433 YXXVEYCJSOKWTF-CHWSQXEVSA-N 431.443 2.882 0 40 IFAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 222802601 SNONSVQKLVSBLY-INIZCTEOSA-N 431.492 2.972 0 40 IFAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 225426413 JLCSEPNUMIQCFN-UHFFFAOYSA-N 434.905 2.913 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 225871025 FGSCOKPWWROLLK-UHFFFAOYSA-N 446.447 2.805 0 40 IFAB Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c2ccccc2c1=O 257198670 FRVAKXNDVPTLIH-DDOGDFNNSA-N 432.568 2.898 0 40 IFAB COc1ccccc1OC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 260895265 HMYIBQYEJLPYPQ-OALUTQOASA-N 446.569 2.988 0 40 IFAB CC(C)n1cc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306133771 MVQLOZSXLGNLNT-NOZRDPDXSA-N 446.555 2.651 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408661360 MMHNPRMOTSYGNP-NXKWAJLKSA-N 439.295 2.896 0 40 IFAB CN(C)[C@H](CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 530601970 DCHIURZOAWBOFW-FYYLOGMGSA-N 430.980 2.879 0 40 IFAB Cc1cc(C)n2nc(C(=O)N3CCC(Cn4nc(-c5ccccc5)ccc4=O)CC3)nc2n1 585147544 NHZQFUSZCSBBQQ-UHFFFAOYSA-N 443.511 2.517 0 40 IFAB C[C@H]1Cc2ccccc2N1C1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 620943550 ZKBHOEJXUMEHNH-AWEZNQCLSA-N 440.525 2.645 0 40 IFAB CCOC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(Cl)c(F)c3)c3c2CCC3)CC1 1587535764 GPRPHAXWONQCFJ-UHFFFAOYSA-N 448.926 2.865 0 40 IFAB COC(=O)Nc1ccc(OC(=O)COCC(=O)Oc2ccc(NC(=O)OC)cc2)cc1 2061000090 HFLJVSSUTFGDAB-UHFFFAOYSA-N 432.385 2.571 0 40 IFAB Cc1c(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)c(=O)oc2cc(O)ccc12 2098884 JNKHFKXZZWKRHX-SFHVURJKSA-N 427.478 2.852 0 40 IFAB biogenic COC(=O)[C@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)OC(N2CCOCC2)=N1 2322336 ZQAXONDMCZEBTI-HNNXBMFYSA-N 440.205 2.890 0 40 IFAB CCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6194063 QFBOXSAYQOWFOJ-UHFFFAOYSA-N 439.493 2.882 0 40 IFAB COc1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 6320687 SPVIOTKGTBCXRS-UHFFFAOYSA-N 430.526 2.727 0 40 IFAB COc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccc3ccc(=O)oc3c2)cc1OC 8878044 UNWKPKROKKBYIF-MRXNPFEDSA-N 427.409 2.521 0 40 IFAB biogenic CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1CCCc2ccccc21 9095846 PWSHXGYVWWBWCU-UHFFFAOYSA-N 425.514 2.893 0 40 IFAB COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2)c(N)n1 9152149 GDUSHMPCSSPKNQ-UHFFFAOYSA-N 444.538 2.939 0 40 IFAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)CN3C(=O)NC(C)(C)C3=O)n2)cc1 9388201 HYSCPQMSGNSXSH-LBPRGKRZSA-N 444.513 2.573 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 9497901 ABLHDOFKYOYOFY-VOIUYBSRSA-N 434.496 2.694 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@H]3C2=O)cc1Cl 9675015 FELOWRWIMVWPIA-RTBURBONSA-N 441.875 2.897 0 40 IFAB CCn1c(=O)c2cc(Br)ccc2n(CC(=O)Nc2ccc(OC)cc2)c1=O 9698389 ZIQCFIINEXIVBI-UHFFFAOYSA-N 432.274 2.593 0 40 IFAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9789175 RNFUFTDWKYMPTE-IBGZPJMESA-N 443.525 2.523 0 40 IFAB CCCCn1c(=O)c2c(nc3n(CCc4ccc(OC)c(OC)c4)c(C)cn23)n(C)c1=O 9829449 GHFOGBLARMBGJY-UHFFFAOYSA-N 439.516 2.518 0 40 IFAB Cc1cc(N(CC(=O)NCCCN2CCCCC2)S(C)(=O)=O)ccc1Br 10278675 XBXACUJIABUBOW-UHFFFAOYSA-N 446.411 2.516 0 40 IFAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1c(C)cc(C)cc1C)CC2 10705576 FTQAGUZPGSWAQW-UHFFFAOYSA-N 446.569 2.747 0 40 IFAB COc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1Cl 11906042 QFUCWVJKKVQWHO-UHFFFAOYSA-N 444.918 2.524 0 40 IFAB Cc1cnc(C(=O)N2CCC(O)(Cn3ccc4nc(-c5ccncc5)ccc43)CC2)cn1 12089174 OGYGISBYWWRTHK-UHFFFAOYSA-N 428.496 2.864 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 12140131 OFGOYEATELNWDH-UHFFFAOYSA-N 441.509 2.776 0 40 IFAB CCN(C(=O)CN1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1)[C@H]1CCS(=O)(=O)C1 12187921 SJCWNWHOYKYBAD-FQEVSTJZSA-N 432.586 2.579 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F 12591282 HUFFURRRVMBHCR-LBPRGKRZSA-N 427.473 2.513 0 40 IFAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OC(F)F)cc1 12745091 QGFRMOCTUVUZNS-GFCCVEGCSA-N 442.440 2.755 0 40 IFAB O=C1COc2ccc(S(=O)(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)cc2N1 12809028 QAFMYDFFCXRZFA-UHFFFAOYSA-N 430.482 2.537 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccccc1 13040183 TZOYJJLFKVMPTA-UHFFFAOYSA-N 443.447 2.530 0 40 IFAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13074176 ODEBUYQOMNEJSI-UHFFFAOYSA-N 436.917 2.648 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)[C@@H]2CCCO2)CC3)cc1 13696653 OHCDCJQOLIPPFJ-FQEVSTJZSA-N 429.498 2.514 0 40 IFAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 15560018 IVVKXJYDQJAOEB-UHFFFAOYSA-N 428.963 2.876 0 40 IFAB CC[C@H](C)N(C(=O)CN(C)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 16388254 BBYKZNXUBXIRBA-HOCLYGCPSA-N 431.396 2.695 0 40 IFAB COCCN(C(=O)c1nnc(O)c2ccccc12)c1nc2c(s1)CCc1c-2cnn1C 19289592 WJVKJJNSYDMKBK-UHFFFAOYSA-N 436.497 2.584 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)C[C@@H]2O 19563073 VFFQYEKVNPEETF-PMACEKPBSA-N 427.497 2.851 0 40 IFAB COc1ccc(CN2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC 19694975 HTOSWJWOHCKTDB-NRFANRHFSA-N 436.516 2.590 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1 19937996 UAXJITBYDRUWDF-UHFFFAOYSA-N 442.541 2.602 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1C 20008639 NECDVEUEZVEUPB-OAQYLSRUSA-N 439.537 2.605 0 40 IFAB NC(=O)CSc1nnc(SCc2nnc(-c3ccc(Br)o3)o2)s1 21370877 SXAMOHMCWIUYFV-UHFFFAOYSA-N 434.322 2.813 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCC1(N3CCOCC3)CCCCC1)C2=O 22462427 KUMROPAFERLPQU-UHFFFAOYSA-N 427.545 2.523 0 40 IFAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2N2CCCC2)cc1OC 22643176 PVFBDMVCAMGUTJ-UHFFFAOYSA-N 433.530 2.611 0 40 IFAB C[C@@H](OC(=O)CNC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 28849963 ZAWZRIUREYKRAA-OAHLLOKOSA-N 434.448 2.546 0 40 IFAB CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1nc(C)cs1 32074569 UFTWVSUMCJOKOW-ZBFHGGJFSA-N 432.571 2.681 0 40 IFAB CC(C)c1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)n1Cc1ccco1 32865345 XBSBHGGHLFLBMP-UHFFFAOYSA-N 426.546 2.879 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)O2 44918682 WYYMNJWYMOBYBX-UZLBHIALSA-N 430.526 2.941 0 40 IFAB COC(=O)c1cccc(NC(=O)c2c(S(=O)(=O)Nc3ccc(C)cc3)n[nH]c2C)c1 49003337 CNZCJEVXJAZYEJ-UHFFFAOYSA-N 428.470 2.866 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4ccc(C)cc4C)cc3c2=O)cc1 51316982 FIWFVFJUUVJJMS-UHFFFAOYSA-N 431.452 2.600 0 40 IFAB Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N(Cc1ccccc1)c1ccccc1 56999910 FNKUIEMOPQKUEY-UHFFFAOYSA-N 431.540 2.813 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O 65196619 UDSKHTDLUAOUBH-UHFFFAOYSA-N 431.452 2.682 0 40 IFAB COc1ccc(-n2c(O)nc3nc(NCCc4ccc(OC)c(OC)c4)ncc3c2=O)cc1 67263541 NJXWTFKOGCJJHV-UHFFFAOYSA-N 449.467 2.562 0 40 IFAB COC(=O)c1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1 70638620 DBMRLHQQGQVQIN-UHFFFAOYSA-N 447.494 2.522 0 40 IFAB C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1cccc(Br)c1 71328820 WGEUIJIIUAJRKJ-CQSZACIVSA-N 432.322 2.703 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc4c(s3)CCCCC4)C2=O)cc1 95473840 ZSVSBLJBBDCMOU-INIZCTEOSA-N 428.514 2.870 0 40 IFAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)ccc21 96967666 AEEISQRUFXSKRF-UHFFFAOYSA-N 428.558 2.538 0 40 IFAB CSc1cccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 220064622 IMJXNGJJXFTXAV-UHFFFAOYSA-N 437.562 2.662 0 40 IFAB COc1cccc(N(CCCC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 222590427 FGCQVGRLICWNAI-UHFFFAOYSA-N 445.585 2.586 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225387447 ROZCGHJNLALSOW-ZDUSSCGKSA-N 440.547 2.722 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N2CCCCC2)cc1 257214997 COFYAZHYJPEGCA-IBGZPJMESA-N 432.546 2.960 0 40 IFAB O=C1NCCN(C(=O)COc2ccc(F)cc2F)[C@H]1Cc1ccc(-c2ccncc2)cc1 257220073 DJKSQRITCWWGPN-NRFANRHFSA-N 437.446 2.975 0 40 IFAB CNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCC[C@H](C)C2)n1 260742485 WOVNCCVBFWTQJU-KRWDZBQOSA-N 425.606 2.956 0 40 IFAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 408662644 XFVAAQISVVWFKK-OAHLLOKOSA-N 428.416 2.537 0 40 IFAB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)Nc1ccc(Br)cc1Cl 408668358 WJNLZNHXVPXIKU-FKFWPICOSA-N 428.666 2.782 0 40 IFAB COc1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2OC)c1 408709485 BGYZAYZGDMWQEV-UHFFFAOYSA-N 447.491 2.889 0 40 IFAB CCn1c(SCC(=O)Nc2ncccn2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409160588 UPKUEQBQGCPYJK-KRWDZBQOSA-N 439.545 2.946 0 40 IFAB Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCc4ccc(C(C)(C)C)cc4C3)ccc21 511680864 GMAGUIGBOBWJAC-UHFFFAOYSA-N 449.555 2.873 0 40 IFAB C[C@H](C(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1)N1CCN(c2ccc(F)cc2)CC1 552812709 TVBMSYIWGXSJDT-MRXNPFEDSA-N 442.510 2.765 0 40 IFAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1=O 575614724 CPFMHYFJPXCXFN-UHFFFAOYSA-N 438.385 2.607 0 40 IFAB CCn1c(SCC(=O)Nc2nccs2)nc2nc3c(cc2c1=O)COC(C)(C)C3 2372133 XASSILYXOMXRIH-UHFFFAOYSA-N 431.543 2.850 0 40 IFAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 2660144 JALPNKDAZUKJDB-UHFFFAOYSA-N 434.514 2.674 0 40 IFAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NC1CCCCC1 8849840 GQDMOCNFPPWURR-OAHLLOKOSA-N 440.537 2.607 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 9203627 HHHIYQLYXLTZLA-UHFFFAOYSA-N 431.514 2.838 0 40 IFAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)cc1Cl 9253166 MVVLAHKMMLXRDI-LLVKDONJSA-N 426.325 2.779 0 40 IFAB COc1ccc([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c(OC)c1 9348845 GQMSGQPEGXUWIW-QHCPKHFHSA-N 447.491 2.843 0 40 IFAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)c1 9518561 VSEUJEQGGVEPHG-UHFFFAOYSA-N 425.470 2.689 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9549957 FBDMJPLAUYPING-UHFFFAOYSA-N 446.525 2.721 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc(Br)cc2c1=O 9821317 KEOHVESZUCMSBL-GFCCVEGCSA-N 441.285 2.923 0 40 IFAB COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1F 9863490 LCBFDLJFPOXFLO-KRWDZBQOSA-N 436.505 2.564 0 40 IFAB COc1cc(C(=O)N[C@H](C)C(=O)N2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC 9901303 XXXDGXVZLMKOTL-CQSZACIVSA-N 437.496 2.897 0 40 IFAB NC(=O)c1ccsc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 10771744 GYYAIOXCIFWAHU-SECBINFHSA-N 433.964 2.601 0 40 IFAB O=C1N[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 11859172 BODOZRWTHTUGOG-WWGRRREGSA-N 444.207 2.948 0 40 IFAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c32)c(C)c1 12228682 RUECNHGMIOEPQS-UHFFFAOYSA-N 431.452 2.875 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12268788 MDHNIHVPPYSOAG-LRYXAPPNSA-N 447.553 2.885 0 40 IFAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 12533941 MDLHSVMHXJBSSX-SNVBAGLBSA-N 438.431 2.541 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)n2n1 12554472 GTEBSRPDZIFQDL-UHFFFAOYSA-N 428.537 2.884 0 40 IFAB C[C@H](OC(=O)/C=C/c1nc2ccccc2o1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 12908141 JTJXKOKXZWFZOG-FBOQAHMBSA-N 447.369 2.945 0 40 IFAB CN(C)[C@@H](CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)c1ccccc1 12951060 IQXVPCMPQCYJEL-INIZCTEOSA-N 442.610 2.995 0 40 IFAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1C 13164188 IUKCULALDHHGKF-HSZRJFAPSA-N 439.468 2.645 0 40 IFAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)Nc1ccc2c(c1)OCO2 13533597 WFEVEQINDCSOQW-UHFFFAOYSA-N 449.488 2.835 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1 13564824 LWGRZEMEPKONPK-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCN(c2cccc(Cl)c2)CC1 17149972 QETPKDNRGSKLPY-MRXNPFEDSA-N 430.961 2.771 0 40 IFAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(-n2ccnc2)cc1 18047757 JTUQMRDRBAHHMX-FUHWJXTLSA-N 432.480 2.874 0 40 IFAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 18287026 PGVYIIWDSOEZLN-CYBMUJFWSA-N 431.470 2.914 0 40 IFAB COc1cc2cc(CNc3cc4c(cc3NC(C)=O)OCCO4)c(=O)[nH]c2cc1OC 19022221 KQVAMFPUAMEGKB-UHFFFAOYSA-N 425.441 2.887 0 40 IFAB Cc1csc2c(C3CCN(C(=O)CCCN4C(=O)NC(C)(C)C4=O)CC3)nc(C)n12 19240542 ZIMPCCFHNRGNLJ-UHFFFAOYSA-N 431.562 2.829 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 19313789 MKKYHIMYOKYEQL-FQEVSTJZSA-N 449.294 2.759 0 40 IFAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2N1 19520684 MGHNZQZAGVVGQK-CTHBEMJXSA-N 434.484 2.679 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19528368 DQZBSAWCXSVUGK-HFZDXXHNSA-N 448.567 2.514 0 40 IFAB Cc1nn(C)cc1CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697681 NLPAYRHDBMIYOC-IBGZPJMESA-N 440.569 2.989 0 40 IFAB Cc1nn2c([C@@H]3CCN(C(=O)CC4(O)CCCCC4)C3)ccnc2c1Cn1ccnc1C 19707659 JIRGCJANAJYWPL-LJQANCHMSA-N 436.560 2.992 0 40 IFAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19739449 DMFDQOJNFVRWRR-IBGZPJMESA-N 442.585 2.836 0 40 IFAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 20082131 LTTLHZSHVOGAMK-KNQAVFIVSA-N 433.560 2.808 0 40 IFAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccc(Cl)cc1 21944440 YGHYRIXKSIUNKO-AWEZNQCLSA-N 437.901 2.789 0 40 IFAB CCOC(=O)C1=C(CN(C)Cc2cnn(C)c2C)N(CC)C(=O)N[C@@H]1c1ccccc1 22469403 VHUQMZXWAYOSKN-OAQYLSRUSA-N 425.533 2.764 0 40 IFAB CNC(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 22616516 VJRQJYCYWZGBHC-AWNIVKPZSA-N 439.493 2.770 0 40 IFAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)C 26642805 DPWXHYLUOQEQAX-HXUWFJFHSA-N 431.558 2.947 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NCc2cccnc2)c1 27682863 DKXYVMHVVOIPNQ-UHFFFAOYSA-N 426.336 2.805 0 40 IFAB COc1ccc([C@H](CNC(=O)c2nn(-c3ccc(OC)cc3)ccc2=O)N2CCCC2)cc1 28293381 GIQCQIRSCNSXPR-QFIPXVFZSA-N 448.523 2.817 0 40 IFAB Cc1cccc(N2C[C@@H](C(=O)NCCCN3CCN(c4ccccc4)CC3)CC2=O)c1C 31241242 DUZCGOBOKWDKTB-QFIPXVFZSA-N 434.584 2.985 0 40 IFAB COc1cccc2c([C@@H](C(=O)O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c[nH]c12 32074133 ZCPHYGSMRUPHIO-NRFANRHFSA-N 443.525 2.617 0 40 IFAB COC(=O)c1ccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 32741765 DQGKTOUZCAXUEE-GTQSFZMJSA-N 441.524 2.695 0 40 IFAB CCCn1c(=O)n(CC(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)c2ccccc21 48312072 KRIVHLHURFQRLQ-NRFANRHFSA-N 449.599 2.930 0 40 IFAB Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)n1 57316649 CZZDARBDOQZSOG-VQHVLOKHSA-N 433.291 2.759 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)NCc4cccc(Cl)c4)c(=O)n3c(C)n2)cc1 67319397 QHDXDJSFOYOJGX-UHFFFAOYSA-N 437.887 2.845 0 40 IFAB O=C(NCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCN1C(=O)C1CCCCC1 69978867 SKNCBPVZPZSPBP-JOCHJYFZSA-N 430.568 2.635 0 40 IFAB CCOc1ccc(CC(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)cc1 72325231 ONHUHCVRDLZHQK-VWLOTQADSA-N 435.524 2.961 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)C(C)(C)O)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72371110 PEJUNBUSTKQBPR-GOSISDBHSA-N 426.492 2.838 0 40 IFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 90609659 ONFMIKCLFCDPAP-OAHLLOKOSA-N 430.549 2.751 0 40 IFAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95938931 FLJARLFRPUHVQQ-JKSUJKDBSA-N 439.578 2.716 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 223698155 IJYHFLHPJFWCDE-KRWDZBQOSA-N 434.558 2.997 0 40 IFAB CC(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 223799156 NPEHDLDFOSAGST-UHFFFAOYSA-N 445.585 2.555 0 40 IFAB Cc1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 224479526 YMHCYLWTTOABDJ-IBGZPJMESA-N 438.933 2.679 0 40 IFAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)C1 247951958 SZOITKIURBBZOI-IPMKNSEASA-N 433.556 2.888 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)N1CCOCC1 257218814 DEMNSMZUVZJUHN-LJQANCHMSA-N 440.519 2.654 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCN2CCCCC2)CC1 257321463 WBUIWZFOPNEVFE-VDKIKQQVSA-N 429.605 2.698 0 40 IFAB CCOCC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3ccccn3)C2=O)C1 306134992 ODZLWGKTSYYJKU-GBXCKJPGSA-N 439.560 2.630 0 40 IFAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306138424 RXGWGZYRQUZFFH-CJFMBICVSA-N 444.539 2.913 0 40 IFAB CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)cc1 408662136 MXRPFQBAPQUGES-UHFFFAOYSA-N 449.419 2.978 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408668741 VJPQPUANZUZWIH-WPCMGHOJSA-N 426.513 2.841 0 40 IFAB Cc1sc(-n2cnnn2)c(C(=O)Nc2n[nH]c(CCc3c[nH]c4ccccc34)n2)c1C 524732535 OBRPKGNQEWDTMF-UHFFFAOYSA-N 433.501 2.978 0 40 IFAB COc1ccc(-c2csc(NC(=S)N[C@@]3(C)CCS(=O)(=O)C3)n2)cc1OC 575423830 RLOAXYIGPBDWID-KRWDZBQOSA-N 427.573 2.691 0 40 IFAB O=C1NC[C@@]2(CCCCCOc3ccccc31)CCCN(C(=O)CCN1CCCC1=O)C2 643559668 YLJHWDOXKWXZAM-RUZDIDTESA-N 441.572 2.991 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 1889231426 BCCLZFQFZLFXKI-CZUORRHYSA-N 432.402 2.746 0 40 IFAB CCn1cc(N2CCC[C@H](Nc3ncnc4ccc(Cl)cc34)C2)c(=O)n(CC)c1=O 2298230534 OBWAJZVAGXJUNZ-HNNXBMFYSA-N 428.924 2.727 0 40 IFAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 2144567 YRSBQAIGRHOXLH-UHFFFAOYSA-N 435.937 2.618 0 40 IFAB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)N1CC(=O)Nc3ccccc31)CCCC2 2644234 UGTLFXNTYLLXMJ-UHFFFAOYSA-N 427.482 2.727 0 40 IFAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 4340416 QRWASOFZNRAVAH-UHFFFAOYSA-N 448.527 2.749 0 40 IFAB O=C(O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccco1 4354055 KNLCKYHGXYWDEI-UHFFFAOYSA-N 448.526 2.548 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 8744999 GOIBPXPTXXYHAD-GOSISDBHSA-N 427.530 2.737 0 40 IFAB O=C1CCN(S(=O)(=O)c2ccc(I)cc2)c2ccccc2N1 8873614 GGFIQCUZJAFSBO-UHFFFAOYSA-N 428.251 2.829 0 40 IFAB COc1ccc(C(=O)NCCn2ncc3c(N4CCCC4)nc(SC)nc32)cc1OC 8946498 TUFBXKYMEAMDLN-UHFFFAOYSA-N 442.545 2.596 0 40 IFAB COc1ccc(CCC(=O)NCCn2ncc3c(N4CCCC4)nc(SC)nc32)cc1 8946939 QHELDLYAUMPHDJ-UHFFFAOYSA-N 440.573 2.906 0 40 IFAB COc1cc(NC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)cc(OC)c1 9431281 BWOOOHJFYCJMEK-UHFFFAOYSA-N 427.486 2.621 0 40 IFAB CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)sc2c1CCCC2 9544494 XRPKTINFFHXIST-GFCCVEGCSA-N 433.530 2.995 0 40 IFAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9588921 HWUHFWNOABYXRT-UHFFFAOYSA-N 429.542 2.950 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(OCC)cc1 9761656 KAVODOQVLFGATQ-UHFFFAOYSA-N 444.465 2.576 0 40 IFAB C[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(S(C)(=O)=O)cc1 10966445 UCSGXUFKPTVNQL-CQSZACIVSA-N 441.505 2.941 0 40 IFAB Cn1c(=O)c2c(nc3n2CCN3c2ccc(OCc3ccccc3Cl)cc2)n(C)c1=O 11692413 WWDMRKSEHWFGOB-UHFFFAOYSA-N 437.887 2.818 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)[C@H]1CC=CCC1 12527495 HZCVPYIQEHQNGX-ZWKOTPCHSA-N 449.573 2.593 0 40 IFAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 12544858 HVEGAZUFGWEIBG-ZIAGYGMSSA-N 428.514 2.775 0 40 IFAB C[C@H]1CN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C[C@@H](C)O1 12620792 FMNMAOKCWHINLH-OWCLPIDISA-N 443.997 2.951 0 40 IFAB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)N[C@@H](Cc1ccccc1)C(C)=O 12633772 PDLJSNBGCUDJNU-NRFANRHFSA-N 429.948 2.595 0 40 IFAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N2CCN(Cc3ccccc3F)CC2)c(C)c1 12799834 WRIPWJRGYUWIGA-UHFFFAOYSA-N 440.563 2.966 0 40 IFAB COc1ccc(CC(=O)N[C@H](C)CCCC(C)C)cc1S(=O)(=O)N1CCOCC1 12811874 DWQVIPJOOAXJHN-QGZVFWFLSA-N 426.579 2.590 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 12897133 NHTXSFNQTYRIRI-IBGZPJMESA-N 445.585 2.577 0 40 IFAB O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 12927034 DOHZNAFAUGKFBD-HNNXBMFYSA-N 449.479 2.765 0 40 IFAB CC(C)N(CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(C)C 13004581 VHEHUGXFCIEKLE-UHFFFAOYSA-N 431.549 2.601 0 40 IFAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 13018181 VGIPIGOYANGSKI-UHFFFAOYSA-N 431.905 2.958 0 40 IFAB Cn1c(-c2ccccc2)nn(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=S 13071862 JDJXGCMGCIMNPE-UHFFFAOYSA-N 447.561 2.721 0 40 IFAB C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13117139 XSUFDSFPXMQTHC-UBHSHLNASA-N 425.466 2.817 0 40 IFAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O 13988508 CVTSRKZFPHPRQX-KRWDZBQOSA-N 441.296 2.560 0 40 IFAB C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2NC1=O 14162677 HIHIEDCNZVQXPS-CYBMUJFWSA-N 441.465 2.730 0 40 IFAB CN1CCN(c2ccc(NC(=O)c3nn(-c4ccccc4C(F)(F)F)cc3O)cn2)CC1 14521138 TWIWCSXSWWZOHB-UHFFFAOYSA-N 446.433 2.996 0 40 IFAB O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 15824923 ALFGGAFGOZEVAB-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1 19370665 XICHFURBLIPHHO-NRFANRHFSA-N 443.551 2.672 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19404936 QNNNPJSRBDCYBR-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB CCN1CCN(C(=O)[C@@H]2CCC(=O)N2)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527458 CXOUSVXKMCQSRP-UNMCSNQZSA-N 437.515 2.621 0 40 IFAB O=C(c1ccccc1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699391 IONVZXCBZQIJIH-JOCHJYFZSA-N 446.551 2.878 0 40 IFAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ncccc2C(=O)NCc2ccccc2)C1 19709381 WIXJEHRJHWXXOQ-LJQANCHMSA-N 430.574 2.778 0 40 IFAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 19739443 XGGZUJFBCCSIEE-KRWDZBQOSA-N 446.548 2.585 0 40 IFAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 19857818 DXSUDLIXNAYHLU-QGZVFWFLSA-N 430.526 2.962 0 40 IFAB COc1ccc(-c2coc3cc(OCC(=O)N4CCN(C)CC4)ccc3c2=O)cc1OC 20649527 LHRFKCLIUFMJNX-UHFFFAOYSA-N 438.480 2.630 0 40 IFAB biogenic CSc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 23235760 QWCYDHBNEAXBHE-QGZVFWFLSA-N 434.539 2.972 0 40 IFAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2cccs2)CC1 23737190 PGDNAOZSHUULBH-UHFFFAOYSA-N 445.566 2.778 0 40 IFAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 27025363 DATWFLTZESFLSZ-BXBHGGAKSA-N 428.897 2.963 0 40 IFAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Br)cc2)cc1 32903690 HGJUDWXMSORMTC-UHFFFAOYSA-N 441.347 2.646 0 40 IFAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 36398871 KVJOZXVKUIKRRD-MRXNPFEDSA-N 427.998 2.874 0 40 IFAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NCc1ccncc1 36594174 ZARHCOPYCMALAL-LJQANCHMSA-N 439.903 2.980 0 40 IFAB COc1ccc(CN2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1OC 39978300 RNXXQKHGXUJPJA-UHFFFAOYSA-N 428.920 2.912 0 40 IFAB COc1cc(CC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc(OC)c1OC 40081455 PNCZHLLDQZLJAI-NRFANRHFSA-N 441.572 2.750 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2cccc(C(F)(F)F)c2)c1=O)Nc1ccccc1F 40477152 QCKCZMCMCFMRRJ-UHFFFAOYSA-N 446.364 2.833 0 40 IFAB CCOC(=O)c1ccn(-c2cccc(NC(=O)NCc3cccnc3-n3cccn3)c2)n1 48252230 DWINKPGRTIYMMC-UHFFFAOYSA-N 431.456 2.951 0 40 IFAB CC(=O)N[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)C1 58179518 JEYQGAHUIIIDGH-FQEVSTJZSA-N 429.542 2.845 0 40 IFAB CCC(=O)c1ccc(OCC(=O)N(c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 58391655 BHMRNVHJYRDJOK-GOSISDBHSA-N 431.510 2.887 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3cnc(-c4ccccc4)cc3=O)[nH]n2)c1 70655831 AJMJLLGBRQUDGH-UHFFFAOYSA-N 445.479 2.748 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 72328027 JLWFUXSIFTWIKN-RHGYRFJNSA-N 427.545 2.692 0 40 IFAB CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)CC3CCCC3)CC2)n1 72341543 JENGWNBVYJJVTE-LJQANCHMSA-N 443.592 2.767 0 40 IFAB COCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@@H]2CC=CCC2)CC4)CC1 72398762 XTSOBTVJJYMGMF-QGZVFWFLSA-N 439.560 2.502 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1 90582793 UFLCWIFMUZSWAI-UHFFFAOYSA-N 440.481 2.772 0 40 IFAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCn1ccc2cc(Br)ccc21 94993140 NBRRBXHJEIZESA-UHFFFAOYSA-N 429.318 2.656 0 40 IFAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)nn2c(O)c1C 100138775 CJDNHRAXJUSMPK-BEFAXECRSA-N 432.484 2.686 0 40 IFAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 138967479 QMOIOGAVHOQPKB-HNNXBMFYSA-N 443.887 2.632 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224642738 HKDKEOHFTKIJIW-IBGZPJMESA-N 445.585 2.705 0 40 IFAB COc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 225537692 LBWPOKPSOAFTIX-GOSISDBHSA-N 434.533 2.984 0 40 IFAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)CC1 225826349 LFHRPGBIHJFRSB-UHFFFAOYSA-N 429.586 2.515 0 40 IFAB S=C(NC[C@@H]1CCCO1)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225910710 OJPBAKSDBZRZEK-INIZCTEOSA-N 432.981 2.922 0 40 IFAB CCOC(=O)[C@]1(C)N[C@H](c2sccc2C)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 231431132 GOVUQBBUCNXHLN-DBHNTLKXSA-N 428.510 2.837 0 40 IFAB O=C(C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2ccno2)C1)N1CCOCC1 257289479 PYUXSPMUMJUFOV-JOCHJYFZSA-N 447.919 2.878 0 40 IFAB O=C(O)CN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2O)C1=O 409144776 PWMVTCNRYCCKNK-KRXBUXKQSA-N 439.614 2.771 0 40 IFAB CN1CCN(CC(=O)N(C)c2ccc(NC(=O)NC3(c4ccc(F)cc4)CC3)cc2)CC1 591513620 HRTLIHIFBGWYLC-UHFFFAOYSA-N 439.535 2.847 0 40 IFAB COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418865 NYUGNJKDTGKJLC-HNNXBMFYSA-N 431.876 2.882 0 40 IFAB CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc1ccccc1 4806388 KNENAMJIAODDGM-RTBURBONSA-N 426.579 2.615 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2ccnc2)cc1 8720166 RGWZXQZHAFRFHM-AVRWGWEMSA-N 445.523 2.993 0 40 IFAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8825548 LYSIHEYUVMCORK-UHFFFAOYSA-N 437.521 2.993 0 40 IFAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 8964410 YYBWDBNHQVNJJY-RBUKOAKNSA-N 435.576 2.638 0 40 IFAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9056856 XPJUAERQGZHUET-UHFFFAOYSA-N 425.422 2.636 0 40 IFAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 9495195 NHKKPDNSCAAPKX-BXKMTCNYSA-N 437.496 2.696 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1 9541859 LQADKUCQVWCXMP-UHFFFAOYSA-N 448.512 2.738 0 40 IFAB COc1ccc(N2C[C@@H](C(=O)OCc3cc(=O)oc4cc(O)ccc34)CC2=O)c(OC)c1 9639771 NYQAVKHKHRJXJU-ZDUSSCGKSA-N 439.420 2.612 0 40 IFAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c(C)c1 9640353 CSWJSCNCJUEUTH-UHFFFAOYSA-N 438.553 2.944 0 40 IFAB COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N1CCCC1 9668037 WGBKPCTXBQBGBY-UHFFFAOYSA-N 447.532 2.581 0 40 IFAB CCCCn1c(CSc2nnc(C(F)(F)F)n2C)nc2cc(S(N)(=O)=O)ccc21 9670617 YYNIREIDPJLYQT-UHFFFAOYSA-N 448.496 2.923 0 40 IFAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9712136 JBAIIPUKWCVSCI-UHFFFAOYSA-N 444.495 2.704 0 40 IFAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1 10201780 FAQGQJMQBKNYBA-UXHICEINSA-N 427.501 2.994 0 40 IFAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)N3CCC(c4ccccc4)=N3)C2=O)cc1 11182738 MCKIAEXQGVSJDJ-DEOSSOPVSA-N 434.496 2.575 0 40 IFAB COc1cc2cc(C(=O)N[C@@H](C)C(=O)Nc3ncc(C)s3)n(C)c2c(OC)c1OC 12325060 XXELNKPOMROZKC-NSHDSACASA-N 432.502 2.726 0 40 IFAB CCOc1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C 12552340 FUIQSLCFBMPFBD-UHFFFAOYSA-N 434.562 2.958 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12820749 YZIIGVFVCMQZJR-AWEZNQCLSA-N 445.903 2.950 0 40 IFAB O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c2cc(Cl)c(O)cc2o1 13037875 UPQDEWWLMGNHRM-UHFFFAOYSA-N 434.901 2.659 0 40 IFAB C[C@H]1C[C@@H](C)C[C@H]([C@@H](CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)c2ccccc2)C1=O 17147955 BCMABKOQTPATAU-BAAGSCJXSA-N 427.497 2.865 0 40 IFAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2)c1ccccc1 19459274 XIEYBRVGLVUATI-IIBYNOLFSA-N 434.540 2.922 0 40 IFAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19572446 FBNTWECIDKXXPR-JOCHJYFZSA-N 448.560 2.555 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19738827 GFMQOQUWCYWBSE-QGZVFWFLSA-N 448.502 2.767 0 40 IFAB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 19817568 ZGQSDRDEQWKIGV-QFBILLFUSA-N 448.479 2.903 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Br)cc2F)Oc2ccccc21 20041363 ZDCJQPKJOUZYBI-OAHLLOKOSA-N 429.267 2.754 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 20565961 QKWYHISIVFQWLP-ZKNHNOBHSA-N 434.334 2.626 0 40 IFAB CCOC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)s1 21333120 XZZZXMQFNUSHQD-UHFFFAOYSA-N 435.936 2.503 0 40 IFAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(N)=O 21739316 CPFYWJRPDVFAQV-UHFFFAOYSA-N 442.251 2.914 0 40 IFAB O=C(CSc1ncn(-c2ccccc2)n1)NC(=O)Nc1ccc2c(c1)OCCCO2 21757038 MULRSIQEQUXWFT-UHFFFAOYSA-N 425.470 2.869 0 40 IFAB COc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1OC 24143859 FQSHJIGKIGRYIO-UHFFFAOYSA-N 426.469 2.852 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1CN1CCCCC1 24182350 GWKUNPYCDLXKJG-UHFFFAOYSA-N 441.553 2.524 0 40 IFAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCOCC2)c1 25290399 JKRVKMPUSWLICE-HXUWFJFHSA-N 430.936 2.642 0 40 IFAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccc2nc(N3CCOCC3)sc2c1 26392853 ASMPHBZGWCSWBW-UHFFFAOYSA-N 438.509 2.887 0 40 IFAB C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)cc2)C[C@@H](C)O1 31413558 DXNUTDYWHJQKHE-OPYAIIAOSA-N 425.529 2.554 0 40 IFAB O=C([C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1)N1CCOCC1 32741724 UXXMBZLZJQNYRE-REWPJTCUSA-N 438.505 2.759 0 40 IFAB CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1 35315450 OMSXPCYKFKLHEZ-NRFANRHFSA-N 445.922 2.947 0 40 IFAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 36365264 GVXBVCLUIATPPJ-JOCHJYFZSA-N 440.475 2.594 0 40 IFAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3cc(-c4ccccc4)n[nH]3)c2n1 36655534 GVKXJFYWGHPLBO-UHFFFAOYSA-N 448.556 2.969 0 40 IFAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Cc2sc(S)nc2C)CC1 40033895 POGYATFEZORMEW-KRWDZBQOSA-N 439.990 2.995 0 40 IFAB CCC(=O)Nc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 59363745 LNMBOECNFXRLOK-UHFFFAOYSA-N 433.505 2.711 0 40 IFAB Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3CN3CCC[C@@H]3CO)c2c1C 72313866 WKNMYJDJDRXGTD-RBUKOAKNSA-N 445.633 2.566 0 40 IFAB COc1ccc(CC(=O)Nc2ccc([C@H]3OCC(=O)N(CC(C)C)[C@@H]3CO)cc2)cc1 72321143 BJLCMFBWJSOYKC-ZJSXRUAMSA-N 426.513 2.793 0 40 IFAB biogenic,in-vitro Cc1nc(NC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)sc1C 72326840 ARJIISVEFGDBPB-ASSNKEHSSA-N 427.530 2.651 0 40 IFAB Cc1ccc([C@H](C)C(=O)N2CCC(c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)CC2)cc1 72398913 HCTOLNIVXIRJSQ-KRWDZBQOSA-N 448.567 2.883 0 40 IFAB COCCN(Cc1ccsc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 77200837 NAXQAVAAQFWSRS-UHFFFAOYSA-N 444.600 2.515 0 40 IFAB Cc1cc(NC(=O)CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)ccc1Br 78950547 YGDGJGNQHNXCHT-QGZVFWFLSA-N 438.366 2.799 0 40 IFAB O=C(OCC(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 89861188 RMVSFPCVNUYDLP-UHFFFAOYSA-N 442.537 2.603 0 40 IFAB COc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ccccn4)C[C@@H]3C2)cc1 96251434 FDMVDMUMSHHISN-LVXARBLLSA-N 448.567 2.975 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)C4CCCC4)nn3c(O)c2C1 100234835 YCKNFTRSIBWLPW-FQEVSTJZSA-N 437.544 2.973 0 40 IFAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(N3CCOCC3)c3nonc13)[C@H]2C(=O)O 102639559 AQSHUXMEBUYNTN-OSLDLMBLSA-N 426.473 2.691 0 40 IFAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C(C)=O)cc1 139108560 GRBSWAYYMRBNTN-DLBZAZTESA-N 437.500 2.806 0 40 IFAB O=C1OC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c2ccccc21 211109778 GOMNXNASYNJMIX-UHFFFAOYSA-N 440.521 2.773 0 40 IFAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 223001711 PYRKVNCCSQQVTK-GCJKJVERSA-N 426.513 2.787 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccnc(OCC3CCOCC3)c2)c1 253472530 MYKFCPHHPSPQFB-UHFFFAOYSA-N 428.441 2.713 0 40 IFAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260800784 XBHTWLUYXAKLOA-ROUUACIJSA-N 425.595 2.621 0 40 IFAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)c(C)c2)cc1 408674702 GCMLCPJCKHBHSC-IBGZPJMESA-N 448.541 2.869 0 40 IFAB O=C(NCc1ccc(F)cc1)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972747 UHBHEOTXZLNTIL-UHFFFAOYSA-N 437.401 2.704 0 40 IFAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 665349 NVQOIQSTIKSUGV-UHFFFAOYSA-N 446.331 2.760 0 40 IFAB CC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1 3304218 UGWCCMITIGANLB-UHFFFAOYSA-N 437.237 2.618 0 40 IFAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2C)no1 3480265 JLZJUWMKXZFVLH-OAHLLOKOSA-N 435.436 2.801 0 40 IFAB O=c1ccc(-c2cncnc2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccc(Cl)cc2)C1 5441123 PVAFCSQUAFSLHR-LSDHHAIUSA-N 442.928 2.767 0 40 IFAB biogenic,in-vitro COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccc(F)c2)C(C)C)c1 8693974 OTCONRIPVFDVLA-FQEVSTJZSA-N 432.448 2.779 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C 8824375 LMWRDWIXCZKOPE-GFCCVEGCSA-N 442.390 2.803 0 40 IFAB COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1c(F)cccc1Cl 9194475 PJZCJNITGPAPGB-UHFFFAOYSA-N 449.870 2.552 0 40 IFAB COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 9288690 CKOPPPYIZRXGNB-GFCCVEGCSA-N 445.522 2.700 0 40 IFAB Cc1cccc(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1C 9596594 LQRKENCNUOZCOB-UHFFFAOYSA-N 427.530 2.867 0 40 IFAB Cc1ncsc1C(=O)N1CCC[C@H](c2nc(-c3ccncc3)ncc2S(C)(=O)=O)C1 12132913 UNLOFYYFCXXHNT-HNNXBMFYSA-N 443.554 2.727 0 40 IFAB COc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4)no3)C1)O2 12237204 FBOFANSPAATHDF-LHSJRXKWSA-N 436.468 2.970 0 40 IFAB O=C(c1csc(-c2cccs2)n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12792027 QDAFIUPASDUSCY-KRWDZBQOSA-N 441.534 2.996 0 40 IFAB Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(Cl)nc4)CC3)n2)cc1 12867197 DCIQNXJODQXCNG-UHFFFAOYSA-N 433.921 2.600 0 40 IFAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 12941136 YBHZGBPFHUARJG-UHFFFAOYSA-N 427.457 2.585 0 40 IFAB CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 13038753 GUHAMDHOSREEMO-UHFFFAOYSA-N 432.546 2.973 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 13128088 WZFFOEHOBAXHRX-UHFFFAOYSA-N 438.556 2.623 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)CC1 13695003 ZPRLRSDASHHJSA-UHFFFAOYSA-N 433.555 2.561 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cccc(C(F)(F)F)c1 14429974 VONIYZYVIUDFEV-UHFFFAOYSA-N 434.461 2.969 0 40 IFAB O=C1CC[C@H](C(=O)N2CCc3nc(-c4ccncc4)nc(Nc4cccc(F)c4)c3C2)N1 19293993 NLCMLMNKNUKNET-LJQANCHMSA-N 432.459 2.585 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2c[nH]nc2O)C1 19528894 CPEIKVMMKPGJJO-RUZDIDTESA-N 432.524 2.922 0 40 IFAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1 19552870 DFQJJDFPKUWXJG-UHFFFAOYSA-N 445.495 2.632 0 40 IFAB CCOc1ccccc1C(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(C(C)=O)C2)n1 19709709 OQRFQHUXEHBANT-GOSISDBHSA-N 439.560 2.939 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc12 19940864 OLFWWERYUJPYIT-QFIPXVFZSA-N 435.576 2.973 0 40 IFAB COc1ccc(CCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20237129 QEEGGRFJRGSMAA-UHFFFAOYSA-N 430.448 2.839 0 40 IFAB Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccccc4N4CCN(C)CC4)c3c2c1 20321916 MFMOPHUIDZZWJE-UHFFFAOYSA-N 431.496 2.842 0 40 IFAB O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 21976055 AQZBUSAQIVNCBB-UHFFFAOYSA-N 448.928 2.892 0 40 IFAB CCOC(=O)c1ccc(OC[C@H](O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 24989120 FCCPIVRWJFRDOU-QGZVFWFLSA-N 427.478 2.965 0 40 IFAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 25154109 UCIUEWYYTLIJQW-IBGZPJMESA-N 448.976 2.897 0 40 IFAB COc1cc(C(=O)NCc2cccnc2N2CCOCC2)ccc1OCc1cscn1 30309682 WYQUHGGGTQJGEX-UHFFFAOYSA-N 440.525 2.892 0 40 IFAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCOc1ccc2ccccc2c1 30446713 QTWHMXZMOUQUCT-UHFFFAOYSA-N 437.521 2.929 0 40 IFAB CCc1ccc([C@H](CNC(=O)c2cnn(-c3ccc(O)nn3)c2C(F)(F)F)N(C)C)cc1 32734922 VHTMCXBOQWZGPO-INIZCTEOSA-N 448.449 2.982 0 40 IFAB COc1ccc(-c2nn(CN3CCC(C(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)c(=S)[nH]2)cc1 32926841 IRSGOVYBAGZZFB-HZPDHXFCSA-N 445.589 2.922 0 40 IFAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O 32947208 RCZKUKOBUCVMPP-NWDGAFQWSA-N 442.379 2.793 0 40 IFAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48353934 GTJKZIDLYKXLON-GHTZIAJQSA-N 448.995 2.757 0 40 IFAB COc1ccc2c(c1)CN(C(C)=O)C[C@]1(CCCN(C(=O)c3cnn(C)c3C)CC1)O2 72394795 SUJMZKVECHJAOO-HSZRJFAPSA-N 426.517 2.543 0 40 IFAB C[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@@](C)=O)cc1 89904876 JISNVGFEPRTYPA-LBNMNUBVSA-N 434.558 2.583 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 89909777 KMZVURWAQQAEKT-FQEVSTJZSA-N 433.556 2.876 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)[C@H](C)Cn4nc(C)nc4C)C3)nn2c1O 100138476 DJSXKFAOWUNPOF-CXAGYDPISA-N 425.537 2.556 0 40 IFAB COCCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(NC(C)=O)ccc21 100873113 XPFAHBBTQLGGGV-NKWDDMGQSA-N 427.482 2.575 0 40 IFAB O=C(c1ccc(F)c(F)c1F)N1CC(O)([C@@H]2CCCCN2[C@H](CO)c2ccccc2)C1 207644759 KAXYRJIPEGDXGR-MOPGFXCFSA-N 434.458 2.879 0 40 IFAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 223907547 MLNJDZUSLIZNNH-UHFFFAOYSA-N 436.515 2.976 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 224226877 HZBOKZJYEWRXEP-UHFFFAOYSA-N 445.585 2.732 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 224678638 ZMVTVZPKJSKLLN-LJQANCHMSA-N 445.585 2.705 0 40 IFAB CCc1ccc(CC)c(CNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 225763172 SSSINVALMCMTNB-UHFFFAOYSA-N 430.570 2.903 0 40 IFAB C[C@H](C(=O)N1CC[C@@H](c2ccccc2)C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 253374436 MIFNXXLMGPXENM-YMJPAYASSA-N 447.535 2.922 0 40 IFAB CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(Cc4ccccc4)CCOCC3)CCN2C)c1 257257532 KQAVWZISKVZGKN-QHCPKHFHSA-N 435.568 2.901 0 40 IFAB O=C(NCCO)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(c2ncnc3[nH]cnc23)C1 257314502 UXGPEWIPGJZVLF-RUZDIDTESA-N 442.523 2.568 0 40 IFAB O=C(NCc1cccc(F)c1)[C@H]1CCc2nnc([C@@H]3CCN(C(=O)c4ccccc4)C3)n2C1 306123887 AZOYDSCBJJVAHE-UXHICEINSA-N 447.514 2.926 0 40 IFAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NC[C@H]1CCCO1 408597611 ZOHCFOFAIMTINX-OAHLLOKOSA-N 442.896 2.954 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408651956 BWOQYLXCBPZCFZ-CESHALSISA-N 439.295 2.895 0 40 IFAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCc1ccccc1 409110122 RQCSCGRWUBKTII-UHFFFAOYSA-N 438.549 2.945 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1cc(C)cc(C)c1 409388717 FCTZLFUNEQGVQJ-UHFFFAOYSA-N 445.585 2.590 0 40 IFAB C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1sccc1S(=O)(=O)N1CCCC1 561620144 AOHXFYQCOZZGCS-AWEZNQCLSA-N 449.602 2.999 0 40 IFAB COC(=O)c1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C 924601 YTRVTRYXFWQXOZ-UHFFFAOYSA-N 436.497 2.731 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O 3287372 CGXRVUIDAJDESQ-HXUWFJFHSA-N 431.395 2.890 0 40 IFAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)C[C@H]1CCCO1)Nc1ccccn1 4240857 ZVIJJBLKUWWTNX-LJQANCHMSA-N 430.549 2.647 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSc3nnc(N)s3)cc2)cc1 8814350 WGZBUPDAPPEJRA-UHFFFAOYSA-N 435.556 2.960 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1coc2cc(C)ccc12 9587100 TXEUIOMRNHFUDT-UHFFFAOYSA-N 444.509 2.952 0 40 IFAB CC1=NN(Cc2cccc(C)c2)c2nc3c(c(=O)n(Cc4cccc(C)c4)c(=O)n3C)n2C1 9707507 BKADKNAZPGLWIH-UHFFFAOYSA-N 442.523 2.958 0 40 IFAB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1CC(F)(F)F 10792231 SKBDCAMCLNWYBT-UHFFFAOYSA-N 446.447 2.957 0 40 IFAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccccc1OC(C)C 11858093 NHCHUJFBLCUXGU-UHFFFAOYSA-N 438.527 2.650 0 40 IFAB CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cs1 13040254 OKRFIDJZUNIQEW-UHFFFAOYSA-N 430.555 2.761 0 40 IFAB Cc1cccn2cc(CN3CCN(S(=O)(=O)c4cccc(Br)c4)CC3)nc12 13063323 RCIBUPPVUVHPCR-UHFFFAOYSA-N 449.374 2.912 0 40 IFAB CCOc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1ccc2c(c1)OCO2 13109592 OFOLTQFPYUQUQK-UHFFFAOYSA-N 427.486 2.540 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)cc1Cl 13567106 SRNREAUTDPLLSO-OAHLLOKOSA-N 437.949 2.851 0 40 IFAB O=S(=O)(/C=C/c1ccccc1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13848338 PMEZJGOKYMPNCO-MHWRWJLKSA-N 436.497 2.507 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1 14160366 NROMGDDIJGUZHA-XMMPIXPASA-N 430.464 2.605 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-c2nnn[nH]2)cc1 14183876 IQFIAZWRDFEJEA-UHFFFAOYSA-N 429.278 2.648 0 40 IFAB CN(Cc1ccc(OCC(=O)Nc2ccccc2Br)cc1)S(C)(=O)=O 14400291 ACVQCWXLQITFSH-UHFFFAOYSA-N 427.320 2.858 0 40 IFAB O=C(OCCOc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 15187543 YEDAEAAOAAYNLK-UHFFFAOYSA-N 443.880 2.736 0 40 IFAB Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5ccco5)CC4)nc32)c1 15987587 RDGKALFUXVIASD-UHFFFAOYSA-N 432.484 2.793 0 40 IFAB COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 19222158 DILNJUBBTOUFLB-UHFFFAOYSA-N 432.528 2.714 0 40 IFAB COCCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nc2c(s1)CCc1c-2cnn1C 19289587 HJPPKKVTHWYUPC-UHFFFAOYSA-N 442.541 2.882 0 40 IFAB O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 19405035 LFJZULJDCNALNL-OAQYLSRUSA-N 435.572 2.560 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19696010 QPLBKBLWFDOKLE-HXUWFJFHSA-N 435.572 2.575 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc12 20412120 CJGBLKVAFDTJSL-UHFFFAOYSA-N 436.464 2.553 0 40 IFAB biogenic O=C(O)[C@@H](c1c[nH]c2cccc(Cl)c12)N1CCN(S(=O)(=O)c2ccccc2)CC1 20745888 ATFBMKOQWFQOTP-LJQANCHMSA-N 433.917 2.954 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3nc(-c4cccs4)no3)C2)cc1 22256327 SSFMYNZNACKPRN-HNNXBMFYSA-N 446.554 2.824 0 40 IFAB CC(=O)Nc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 22511771 OGKMUABKKPZAKZ-KRWDZBQOSA-N 433.505 2.501 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCC[C@H](C)C3)CC2)cc1C 23077381 CSHLRSTTYWUISJ-INIZCTEOSA-N 436.574 2.506 0 40 IFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 23475647 DPELBCUCNDHCOR-JOCHJYFZSA-N 428.558 2.689 0 40 IFAB CC(=O)N[C@@H]1[C@@H](Oc2ccc3ccccc3c2)O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 27515961 XCMZMJFBJIDKSB-GVOYAPIASA-N 435.476 2.923 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnnn2-c2cccc(OC)c2)sc2c1CCC2 28166639 DWHXXJIHTBJTMH-UHFFFAOYSA-N 445.526 2.739 0 40 IFAB Cn1c(=O)n(CCC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c2ccccc21 30566136 DSZCHWYRDREVRY-UHFFFAOYSA-N 442.947 2.607 0 40 IFAB CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)CC1 32865912 OKOUDRIZMRXKJA-QGZVFWFLSA-N 433.574 2.683 0 40 IFAB Cc1cccc(C(=O)N[C@@H](C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C(C)C)c1 32958279 ZUPUOBWSICFTLD-QVKFZJNVSA-N 438.480 2.895 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c(C)c1 33476306 ZFBQYECZIVZEDX-UHFFFAOYSA-N 446.960 2.700 0 40 IFAB O=C(CN1C(=O)N/C(=C\c2ccccc2I)C1=O)Nc1ccccc1 35401641 OEQFDHDGWYTJNY-GDNBJRDFSA-N 447.232 2.823 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 39996264 YZIHPHTVRPWWAP-STQMWFEESA-N 444.431 2.943 0 40 IFAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 40135678 MURZPZTYTNPTLQ-UKRRQHHQSA-N 435.933 2.867 0 40 IFAB CCNC(=O)CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 40149426 BJLQGMYIUBNNPP-UHFFFAOYSA-N 431.587 2.824 0 40 IFAB O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 70641488 CVYBPCFNRMOUOE-FQEVSTJZSA-N 447.457 2.782 0 40 IFAB CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H]1CCN2CCCC[C@H]12 71842124 HWSQTBDIFYDHFB-HLAWJBBLSA-N 426.586 2.829 0 40 IFAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)NCc1cccnc1 72405824 SWHAAMWAHGQYOJ-AWEZNQCLSA-N 436.343 2.925 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2)c1cnccn1 77196323 PLOGEOVDKMILKD-UHFFFAOYSA-N 435.918 2.586 0 40 IFAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCN([C@H]4CCOC4=O)CC3)c12 89567456 JEGQEVBQRYPTPV-IBGZPJMESA-N 438.459 2.847 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(Cl)nn4)CC3)C2)cc1 89629630 WHVGBVQOHPLTBH-GOSISDBHSA-N 427.936 2.639 0 40 IFAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)C1 95989520 MGZUDMOBPAESAS-AEFFLSMTSA-N 431.489 2.573 0 40 IFAB Cc1cc(NC(=O)c2ccc3nnc([C@@H]4CN(Cc5ccccn5)CCN4C)n3c2)ccn1 96268024 VZFYGAPLZUXPIV-NRFANRHFSA-N 442.527 2.569 0 40 IFAB O=C(Cn1nnc(-c2ccccc2Br)n1)Nc1cccc(N2CCCC2=O)c1 97134460 PQESVPFVGLTVQC-UHFFFAOYSA-N 441.289 2.868 0 40 IFAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CCS(=O)(=O)c1ccc(F)cc1 100143029 AMELYIMOUPJSFT-CRAIPNDOSA-N 428.489 2.629 0 40 IFAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)[C@H]2C(=O)O 102246229 MGSFTDAWOKSRAH-DTDBQYNISA-N 426.473 2.575 0 40 IFAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1 220183951 DKSMIVMNBFZMQA-HNNXBMFYSA-N 431.514 2.615 0 40 IFAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222638813 JATIHFZAZNUHCH-SFHVURJKSA-N 445.585 2.785 0 40 IFAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCCN3CCc4ccccc4C3)ccc21 223215556 ZJPGWVMKPWANFN-UHFFFAOYSA-N 439.581 2.712 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCCc2ccccc21 223927470 MHLBYZQFZVMSDK-UHFFFAOYSA-N 444.553 2.628 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3cccc(C)c3C)C2)cc1 223934998 YZOLUOAWFYGCGV-LJQANCHMSA-N 446.569 2.908 0 40 IFAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224003544 XBHTWLUYXAKLOA-QZTJIDSGSA-N 425.595 2.621 0 40 IFAB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224832310 GQRUPIBBHZQNRG-UHFFFAOYSA-N 441.889 2.878 0 40 IFAB Cc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC1)O2 225817281 AXOUOGTXIRUEGQ-UHFFFAOYSA-N 429.494 2.955 0 40 IFAB CC(C)OC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCC[C@H]21 252516748 WJWHJJCWHNPKTH-RQXATKFSSA-N 430.545 2.772 0 40 IFAB NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 257281689 OQNCWPQEXFDATN-DEOSSOPVSA-N 442.563 2.564 0 40 IFAB CN(C)C(=O)c1cnn2c([C@H]3CCCCN3C(=O)CCn3ncc4ccccc43)ccnc12 257297451 RHHHIHYSEWRLTC-HXUWFJFHSA-N 445.527 2.925 0 40 IFAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)c1 257342429 ZOOQKIGUYKXIEW-QGZVFWFLSA-N 440.544 2.761 0 40 IFAB COC[C@@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 408622478 QPKHOWAJYBPSCD-CQSZACIVSA-N 428.913 2.821 0 40 IFAB COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)sc2c1CCC2 408629969 LKZPGNZHLXRFAD-UHFFFAOYSA-N 426.491 2.567 0 40 IFAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 408657836 PLKDQOVNVXQCGO-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 408666967 IGUOOSHMBQLTID-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB O=C(Cc1ccccc1)N1CCO[C@@]2(C1)C(=O)N(CC1CCOCC1)C[C@@H]2c1ccccc1 585106935 LPCRWHHUKFZOHY-SHQCIBLASA-N 448.563 2.879 0 40 IFAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c2ccsc2)n1 618255538 DYQXVDSIHLSRTJ-QGZVFWFLSA-N 432.527 2.574 0 40 IFAB Cc1cccnc1OCC1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1775969321 LELVVMGOBOOTHF-UHFFFAOYSA-N 443.525 2.523 0 40 IFAB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 3617923 GSZWEFSGRANURM-QGZVFWFLSA-N 430.464 2.933 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 8650149 MZVVCLQSZTYCIV-UHFFFAOYSA-N 443.525 2.841 0 40 IFAB COc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 9110005 LYNYLQRTUMQIOX-KRWDZBQOSA-N 445.523 2.936 0 40 IFAB O=C(N[C@@H](C(=O)O)c1ccc(O)cc1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 9435446 HPOJIXKMQZIEKG-AEJJIKPWSA-N 435.480 2.851 0 40 IFAB COc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1S(N)(=O)=O 9441058 PKUGSSVASKXPQT-UHFFFAOYSA-N 442.493 2.939 0 40 IFAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 9525878 GMXNJWHAPVDEFJ-HNNXBMFYSA-N 428.416 2.537 0 40 IFAB COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(C)CC1 9673280 DIDJBQWMNNSBSV-QUDVFMAMSA-N 434.602 2.951 0 40 IFAB Cc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)cc1 9823423 PCDJWODIEGMPBL-FQEVSTJZSA-N 430.302 2.841 0 40 IFAB C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(Cl)c1 10277061 SECZDJBYJSUBRF-CYBMUJFWSA-N 443.978 2.983 0 40 IFAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 10548749 UJBIPJZSCGBVAC-UHFFFAOYSA-N 435.509 2.781 0 40 IFAB COc1ccc(Nc2nnc(SCC(=O)Nc3nc(OC)cc(OC)n3)s2)cc1 11308861 OLQNPEHDOLWYOP-UHFFFAOYSA-N 434.503 2.828 0 40 IFAB Cc1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12981447 BHRIDNSVLNQIGS-SFHVURJKSA-N 427.570 2.817 0 40 IFAB COc1cc2nc(C3CC3)n(NC(=O)c3cccc(OC)c3OC)c(=O)c2cc1OC 13084210 GTOVJWUKPUXQEC-UHFFFAOYSA-N 425.441 2.692 0 40 IFAB CCOc1ccccc1-n1nnnc1SCc1c(C(=O)OC)sc(N)c1C(=O)OC 13163728 NTDBRWXVBIKIFU-UHFFFAOYSA-N 449.514 2.570 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc(Cl)cn1 13572477 NGHZHDKFNAPOEH-QWHCGFSZSA-N 434.974 2.973 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCSCc2ccc(C)cc2)Oc2ccccc21 13678870 CORHEGILVKEAQQ-HXUWFJFHSA-N 434.583 2.962 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713213 JOSWQSLHZLZYAT-HXUWFJFHSA-N 445.585 2.897 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@@H]1CCC[C@@H]1Cc1ccco1 16027752 AUDRWADRXKYILE-QEUVDIPISA-N 437.540 2.695 0 40 IFAB biogenic Cc1nn(C)cc1[C@@H]1Oc2ccc(O)cc2C2=C1[C@@H](c1cn(C)nc1C)n1ncnc1N2 17096859 BUSDNXYLHAFKSX-RTWAWAEBSA-N 430.472 2.627 0 40 IFAB O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 17179140 NEYLJPBIOMGIRK-LJQANCHMSA-N 446.525 2.835 0 40 IFAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502699 SQQDKOQYXSYEBR-JOCHJYFZSA-N 444.535 2.990 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O 19699784 SRCSIYFZXKGLAM-OAQYLSRUSA-N 440.588 2.653 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 19712127 ANNMCELKYVBMKL-NZSAHSFTSA-N 435.521 2.864 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2CCc1ccc(F)cc1 19744294 NMOOFLCYVAEPMA-LJQANCHMSA-N 448.502 2.767 0 40 IFAB CCc1noc(CCC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cnc(C)cn3)CC2)n1 19747125 VFTIOXUCRHOUJY-LJQANCHMSA-N 440.548 2.597 0 40 IFAB CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)c4cccnc4)C3)nc3ccccc23)CC1 19759223 OJBGLCDFAUQEEF-IBGZPJMESA-N 429.524 2.647 0 40 IFAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2C(N)=O)S1(=O)=O 20063463 BGSHTLOTAXJTSP-UHFFFAOYSA-N 433.489 2.963 0 40 IFAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 20491019 WHDGTPNGEDICOH-UHFFFAOYSA-N 445.541 2.689 0 40 IFAB C[C@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 21830995 DCCIBUFGBYJWHI-ZDUSSCGKSA-N 444.542 2.928 0 40 IFAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)C1 22295298 RNFVIONDHHBPMU-KBPBESRZSA-N 430.530 2.718 0 40 IFAB CCOc1ccc(-n2c(SCC(=O)NCCCOC)nnc2-c2ccncc2)cc1 24952242 WLNNUDAEGWKYQN-UHFFFAOYSA-N 427.530 2.973 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 26114012 IBDHNPUODAIBTR-UHFFFAOYSA-N 436.555 2.989 0 40 IFAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)N[C@@H]1CCOc2ccccc21 27675489 DMZPLCDKTITZNF-GOSISDBHSA-N 425.510 2.511 0 40 IFAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 29808508 HMNGMRWLUYUZHW-BGVYSJOJSA-N 442.516 2.664 0 40 IFAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCN3CCN(Cc4ccccc4)CC3)C2)cc1 32064969 OTEBQQULTMUHSY-VWLOTQADSA-N 448.611 2.781 0 40 IFAB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O)[C@H]1CCCc2ccccc21 32571521 YIVUKXMIHORRGD-DFBJGRDBSA-N 449.507 2.761 0 40 IFAB CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2C)nn1 32899348 KNWHDBLCINMCFZ-CXHZTBPHSA-N 429.521 2.856 0 40 IFAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 36396022 LWVYTAMMTLVINX-OKILXGFUSA-N 447.395 2.720 0 40 IFAB Cc1cc(C(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)c(C)c1C 39569224 GPDWINRQGGXZNC-INIZCTEOSA-N 428.510 2.773 0 40 IFAB CCCn1nc(C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1=O 40107806 NMZWPFCDTGMGDN-KRWDZBQOSA-N 436.434 2.766 0 40 IFAB CCCn1nc(C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1=O 40107807 NMZWPFCDTGMGDN-QGZVFWFLSA-N 436.434 2.766 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 44841667 UVIWLQJXVSDEQE-UHFFFAOYSA-N 433.530 2.732 0 40 IFAB CCc1cc(=O)n(CC(=O)NCc2cccc(OC)c2OC)c(-c2cccc(F)c2)n1 57508254 YENVQMUOYLZHLA-UHFFFAOYSA-N 425.460 2.945 0 40 IFAB COCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 57773990 RUHUAFHZJAZHGV-QHCPKHFHSA-N 443.544 2.823 0 40 IFAB CCc1ccc(N2C[C@@H](C(=O)N3CCN(CCCOCC(F)(F)F)CC3)CC2=O)cc1 60100851 JYJQSFBWZNAHTN-SFHVURJKSA-N 441.494 2.715 0 40 IFAB CCCCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)OC)c12)OC(C)(C)CC3 62001480 KAHKMZGXULULEQ-UHFFFAOYSA-N 431.485 2.907 0 40 IFAB biogenic O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)c1ccco1 70638596 XIDLCHLHZXINRE-UHFFFAOYSA-N 447.494 2.507 0 40 IFAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccnc4)nn3c(O)c2C1 100233907 XJHQWDCNIDURPJ-NRFANRHFSA-N 432.528 2.852 0 40 IFAB COc1ccc(C)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 100890820 BYJIJEYTAYEKQH-ROUUACIJSA-N 427.848 2.589 0 40 IFAB COC(=O)C1=NN(c2cccc3ccccc23)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12 100937658 MVWMIPNHUXMCRQ-TZIWHRDSSA-N 429.432 2.756 0 40 IFAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940104 NCWQRXYNENXEPO-JTQLQIEISA-N 430.313 2.886 0 40 IFAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1C 223859583 YDQKSDYXTUNCHM-UHFFFAOYSA-N 432.542 2.733 0 40 IFAB C[C@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224509689 NWPLAKVVLROGCA-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225517202 HWRQNDVTSAUEQI-FQEVSTJZSA-N 442.581 2.952 0 40 IFAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2S(=O)(=O)c1cn(C)cn1 257235389 GXQALHZCCOXDCR-HVJVJISESA-N 442.585 2.584 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(Cc3ccccn3)CC2)Nc2ccccc21 257300990 RWLVOPPXSZCDPN-FBRPZDKASA-N 445.567 2.714 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257330509 XOSJRUKEFPMTEK-FQEVSTJZSA-N 426.498 2.618 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 408609467 RMAURAKAMHHLGI-LLVKDONJSA-N 425.894 2.613 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408671420 YATHBYRLRYKMQZ-WIOUJZMWSA-N 432.904 2.877 0 40 IFAB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)s1 408691369 ZNKGGRBGTUNLLU-UHFFFAOYSA-N 448.501 2.702 0 40 IFAB COc1cc2nc(N3CCC4(CC3)C[C@@H]4C(=O)N3CCCCC3)nc(N)c2cc1OC 540028065 OFNYQSURPDKPMK-MRXNPFEDSA-N 425.533 2.848 0 40 IFAB Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccccc4C)CC3)C2)c1 585287794 RZXLXZNTHJWBFP-SANMLTNESA-N 440.584 2.777 0 40 IFAB Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 585287904 USZSJEITCZIKIP-RUZDIDTESA-N 444.547 2.608 0 40 IFAB O=C1NCCOCCCCC2(CCN(C(=O)c3cc[nH]n3)CC2)COc2ccccc21 643571300 DVQOUUHXMZQNKK-UHFFFAOYSA-N 426.517 2.641 0 40 IFAB O=C(N[C@@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)c1cccn(Cc2ccccc2)c1=O 1633627864 ZGOSSYKXBACMEE-SFHVURJKSA-N 438.850 2.722 0 40 IFAB CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 678973 NQDPWLSGWHSYEN-UHFFFAOYSA-N 446.337 2.945 0 40 IFAB O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2646562 CEUYIGKOJMRSOK-UHFFFAOYSA-N 444.738 2.644 0 40 IFAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 2889862 HEVAUQAFPUDBDZ-UHFFFAOYSA-N 435.502 2.744 0 40 IFAB CN(CC(=O)NC[C@H](c1ccco1)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 3439258 IQBXTPDWUBAFOA-QGZVFWFLSA-N 425.938 2.507 0 40 IFAB CCCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 4073852 XDSRDKQMPDPDID-PSLXWICFSA-N 426.517 2.907 0 40 IFAB biogenic CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 6631764 LNJOHORCYMNVNS-AWEZNQCLSA-N 449.964 2.962 0 40 IFAB CCn1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(=O)c2ccc(C)nc21 9223307 NTCCINPLMDTMRH-UHFFFAOYSA-N 442.522 2.990 0 40 IFAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 9263925 AUFXSGDAABIWNS-UHFFFAOYSA-N 429.546 2.515 0 40 IFAB CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 9444355 KYIWLCVIVOVHDH-JTNHKYCSSA-N 425.201 2.575 0 40 IFAB C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)Nc1cccc(F)c1 9484603 PHPRZZIHOKWKAJ-HNNXBMFYSA-N 437.475 2.802 0 40 IFAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(C)c(Cl)c1)c(=O)n2C 9571811 FDCFMKNXMCUWKF-UHFFFAOYSA-N 430.892 2.657 0 40 IFAB COc1ccc(-c2nc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)sc2C)cc1 9640309 XTNKAHMMFVELGL-UHFFFAOYSA-N 430.511 2.563 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 9665317 MHNVKMIZAGVSKE-INIZCTEOSA-N 430.526 2.852 0 40 IFAB Cc1oc2cc(O[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 9666033 BMKTXQDWQOBCMN-DOTOQJQBSA-N 441.505 2.839 0 40 IFAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 9708719 IRYATVAQTRIVLS-HXUWFJFHSA-N 433.464 2.925 0 40 IFAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCCc5sccc54)C3=O)n2)cc1 9778979 SPSBFWKTWICITJ-NRFANRHFSA-N 435.513 2.851 0 40 IFAB CC(C)c1ccc(OCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4)cnc32)cc1 9822667 QHVOUTCGRZMSDL-UHFFFAOYSA-N 445.523 2.960 0 40 IFAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1-c1ccccc1O 10233684 XWUYNXOHZSBJPK-UHFFFAOYSA-N 433.443 2.648 0 40 IFAB COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1S(=O)(=O)N1CCOCC1 11178672 QBNBTHYKTZECHH-UHFFFAOYSA-N 444.553 2.568 0 40 IFAB COc1ccc(NC(=O)Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1Cl 11666382 QLSXKQYJZPCCEH-UHFFFAOYSA-N 427.823 2.998 0 40 IFAB O=C(Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1ccc2c(c1)OCCO2 11666404 CCUMUJLOXPYUOG-UHFFFAOYSA-N 437.843 2.621 0 40 IFAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 12117269 CNHLSXAQEJPQCA-XFDIAKHOSA-N 444.535 2.752 0 40 IFAB COc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc(OC)c1OCC(N)=O 12603713 NJVVNPKQMPNDQC-UHFFFAOYSA-N 438.484 2.896 0 40 IFAB Cc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCCC1 12643023 XRYOVIKJFFTGGF-UHFFFAOYSA-N 445.541 2.676 0 40 IFAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 12650146 KMXKCYILNGIVPC-UHFFFAOYSA-N 425.224 2.634 0 40 IFAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12779019 BUALPSQHCRRWGR-UHFFFAOYSA-N 446.422 2.756 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCN1CCSC1=O 12789826 UMOSQDGXNXKZKM-UHFFFAOYSA-N 441.575 2.757 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 12792328 KYFFCSDAJHKFGY-UHFFFAOYSA-N 431.539 2.838 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 12804052 HBSIGNCYMZXTID-UHFFFAOYSA-N 448.570 2.744 0 40 IFAB CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12813394 KIKLIABANTZUPG-CQSZACIVSA-N 438.579 2.548 0 40 IFAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1cccc(Cl)c1 13031188 NHEZDVOQPGEDLW-OAHLLOKOSA-N 439.940 2.663 0 40 IFAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1C 13032596 FBNIEKKQVJRICV-INIZCTEOSA-N 432.498 2.711 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 13038976 VPVLHYXDFLTLDX-SFHVURJKSA-N 447.576 2.962 0 40 IFAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13156601 QEGFUKDSDKBRGF-IBGZPJMESA-N 438.480 2.784 0 40 IFAB NC(=O)C1CCN(C(=O)CSc2nccc(-c3ccc(Br)cc3)n2)CC1 13561660 ZMSZUDPAOORBPV-UHFFFAOYSA-N 435.347 2.722 0 40 IFAB O=C(Cn1nnc(-c2ccsc2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 14237426 RCSSGRDDBNVJSL-UHFFFAOYSA-N 446.558 2.605 0 40 IFAB O=C(NCc1ccccn1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 16845555 DAHPVHZADJBKAT-UHFFFAOYSA-N 442.566 2.584 0 40 IFAB Cn1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 17149105 VLOXLCHNECPMSN-UHFFFAOYSA-N 445.498 2.773 0 40 IFAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)OCCO2 18109773 HPNUGHIOVUGCPQ-WBVHZDCISA-N 448.516 2.875 0 40 IFAB COC(C)(C)C(=O)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19697710 MEPCTPMRPAZHHL-MRXNPFEDSA-N 432.542 2.699 0 40 IFAB NC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)COc2ccccc2F)C1 19703559 GFRHNBRKYFQKCJ-HSZRJFAPSA-N 441.434 2.945 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccccc1C 20328459 SGJQPPIYCFOBHU-FQEVSTJZSA-N 428.510 2.948 0 40 IFAB COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)N1CCc2ccccc2C1 20886944 QHYMVNGNEVJHDS-SFHVURJKSA-N 434.583 2.680 0 40 IFAB CCOC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)cc1 21932165 RILLHBCESNBSGD-UHFFFAOYSA-N 446.463 2.987 0 40 IFAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc(Cl)sc1Cl 22023524 PPTKIZYPAOLPKL-ZETCQYMHSA-N 427.356 2.842 0 40 IFAB O=C(O)C[C@@H]1S[C@]2(C(=O)Nc3ccc(Br)cc32)N(c2ccc(O)cc2)C1=O 22996491 JQIHEIDOZZYZID-KBXCAEBGSA-N 449.282 2.883 0 40 IFAB Cc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)ccn3n2)cc1 24007506 NUGCWELISZHYSV-UHFFFAOYSA-N 445.498 2.959 0 40 IFAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)NCc2cccnc2)c1OC 25132901 CUQXMYFJGDVMAD-UHFFFAOYSA-N 445.472 2.969 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1cc(Cl)c2c(c1)OCCO2 29156874 VNNPCTIDECCRIN-UHFFFAOYSA-N 442.946 2.887 0 40 IFAB COc1cc(OC)cc(-c2nnc(SCC(=O)NC[C@@H](C)c3ccccc3)n2N)c1 32721602 XBMWWRMIZXBXKG-CQSZACIVSA-N 427.530 2.688 0 40 IFAB CCOC(=O)C1=C(CSc2nnnn2C2CCCC2)NC(=O)N[C@@H]1c1cccs1 32805955 TVIFFJFEJDAXEE-OAHLLOKOSA-N 434.547 2.813 0 40 IFAB CCn1nnc2cc(C(=O)N3CCN([C@H](C(=O)OC)c4ccccc4Cl)CC3)ccc21 32882065 YUFVRKKRMBOQFM-FQEVSTJZSA-N 441.919 2.777 0 40 IFAB CSc1nc2nc(C)c(CCC(=O)NC[C@@H](O)CO[C@H](C)c3ccccc3)c(C)n2n1 32933038 IQWACAZENFZMTA-SJLPKXTDSA-N 443.573 2.651 0 40 IFAB COc1ccc(C(=O)Nc2ccnn2Cc2ccco2)cc1S(=O)(=O)N1CCCC1 32988108 JHVPWHABRVWZHM-UHFFFAOYSA-N 430.486 2.570 0 40 IFAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)O)c(Cl)c3)C2=O)o1 35086566 FBCWKHDOFHYGGN-WULZRQGASA-N 448.815 2.664 0 40 IFAB CCOc1ccccc1OCCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 36384774 OVQCQDRNCTYIGD-UHFFFAOYSA-N 429.492 2.776 0 40 IFAB COc1ccc(CN2CC(=O)N(c3ccc(C(C)C)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 36597109 KFAIVIJYKNHWBC-FGZHOGPDSA-N 428.554 2.833 0 40 IFAB COc1ccc2c(c1)CCN(C(=O)c1cc(-c3ccco3)n([C@H]3CCS(=O)(=O)C3)n1)C2 36708438 ZIVCYEMLJQXMAF-KRWDZBQOSA-N 441.509 2.710 0 40 IFAB Cc1ccc(C(=O)CCC(=O)CCC(=O)NS(=O)(=O)N2CCc3ccccc3C2)s1 65591138 CLGZARTTXDNIBM-UHFFFAOYSA-N 448.566 2.788 0 40 IFAB Cc1cc(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)[nH]n1 67255501 CSXGBGZAPWGCIL-UHFFFAOYSA-N 429.893 2.507 0 40 IFAB C[C@H]1CSc2ccccc2N(S(=O)(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 89941248 WTPWQBGTXOIFBJ-LLVKDONJSA-N 432.976 2.925 0 40 IFAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 95475483 NYQXSYKQQRFHML-GFCCVEGCSA-N 425.420 2.661 0 40 IFAB CCOC(=O)c1[nH]c(COC(=O)/C(=C\c2ccccc2)NC(C)=O)c(C(=O)OCC)c1C 97653878 SNAVITNXCIOVFJ-SFQUDFHCSA-N 442.468 2.897 0 40 IFAB COc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)cc1OC 101272283 ZKPRPZXTLSJEIQ-RBUKOAKNSA-N 448.439 2.556 0 40 IFAB Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)n1 216345957 FKHBVFCAICHKMY-UHFFFAOYSA-N 432.527 2.836 0 40 IFAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)CC1 219973490 BRSGERMLCFOISD-QFIPXVFZSA-N 427.570 2.571 0 40 IFAB COc1cc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c(OC)cc1Cl 220058022 BAIAABJLELRUJH-UHFFFAOYSA-N 430.885 2.579 0 40 IFAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224245049 MTGVTFQZUHXORO-FQEVSTJZSA-N 434.558 2.906 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCCO2 224870013 DIUKPHLZGLUCMB-UHFFFAOYSA-N 446.403 2.761 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)NC1CCN(c2nc(C)nc3c2CCCC3)CC1 225740327 FMDPVVISYJQBMB-UHFFFAOYSA-N 434.537 2.759 0 40 IFAB CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C(=O)OCC)C3)C2=O)cc1 226318340 FCYOHSVNGFHIEL-IEBWSBKVSA-N 430.501 2.551 0 40 IFAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260836450 PRSBMJCJJYBBIB-HZPDHXFCSA-N 448.541 2.888 0 40 IFAB CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@@]12CCN(Cc1ccccc1)C2 306143856 YORAQIPWHFLKBE-BJKOFHAPSA-N 427.614 2.745 0 40 IFAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 408558968 KSYOTXLQERNJSS-OAHLLOKOSA-N 434.514 2.752 0 40 IFAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1 408655727 LWJQDZBPNWSQKZ-MRXNPFEDSA-N 442.443 2.927 0 40 IFAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1 409156058 SWJPZSOPJCMOTP-UHFFFAOYSA-N 439.541 2.896 0 40 IFAB Cn1nc(-c2cccs2)cc1C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147678 QQIXUVSMQMYSAF-UHFFFAOYSA-N 443.554 2.612 0 40 IFAB CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)CC[C@@H](O)[C@@H]1O 585660672 VMCFTVWDHVWSOB-TXQWMBIZSA-N 433.589 2.782 0 40 IFAB biogenic,in-vitro CO[C@@H]1CCn2cc(C(=O)N[C@@H]3CCc4nc(-c5ccc(F)cc5F)cn4C3)nc2C1 1615613407 UZZOWURXLHMENF-HUUCEWRRSA-N 427.455 2.731 0 40 IFAB CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2ccc(N3CCCCC3)cc2)c1 1848354000 FLTAFMFLZLYPMD-QHCPKHFHSA-N 435.572 2.622 0 40 IFAB COC(=O)CSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@H](Cc3ccccc3)N12 1399029 XXEFJTQZCLGDOQ-INIZCTEOSA-N 439.493 2.811 0 40 IFAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCCCOC(C)C)CC3)CC2=O)cc1 4998912 RUOWNZCBOWFNKT-FQEVSTJZSA-N 429.561 2.518 0 40 IFAB COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC)[C@@H]1OC 5063186 FPGCYQVKNKEGRQ-KNQAFTFISA-N 428.529 2.935 0 40 IFAB CCOCCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 8430600 BNDMTUBKLRXDQG-UHFFFAOYSA-N 440.949 2.740 0 40 IFAB Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 8724940 XBWQSDYIOGSANT-UHFFFAOYSA-N 436.343 2.775 0 40 IFAB CCOC(=O)c1cnc(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)nc1N 9153485 DFZYUCKPBQXWNH-UHFFFAOYSA-N 426.882 2.637 0 40 IFAB Cc1csc(=O)n1CC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 9155462 FJWGVCGMHWPIAZ-UHFFFAOYSA-N 425.466 2.516 0 40 IFAB COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 9243075 GGQKKIINWSWFBC-OAQYLSRUSA-N 439.468 3.000 0 40 IFAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 9593951 YUUTZSKWCNGSDC-HNNXBMFYSA-N 434.514 2.956 0 40 IFAB CC(=O)N1C[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)Oc2ccccc21 9642992 AEPBHPXGKPSTKU-LJQANCHMSA-N 438.509 2.886 0 40 IFAB Cc1cc(C)c(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(=O)[nH]1 10458425 AZZWEMCFDMDDKS-GJZGRUSLSA-N 431.558 2.588 0 40 IFAB Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[nH]2)c1 12033103 NKQIJDVSQQPBPK-UHFFFAOYSA-N 427.461 2.783 0 40 IFAB CC1(C)C[C@H](CC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)C(=O)O1 12188542 SOCUNROWPLCEPU-LBPRGKRZSA-N 425.411 2.581 0 40 IFAB CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12876609 BJLNUBUORVZSKO-KFSOKAEPSA-N 438.528 2.523 0 40 IFAB biogenic NC(=O)C1CCN(C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 13117730 MWGCLYYVJNXAFP-UHFFFAOYSA-N 439.896 2.617 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C1 13580885 GSQXZQWENXDKKP-HNNXBMFYSA-N 449.504 2.832 0 40 IFAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@H](C)c1cc2ccccc2o1 15345154 JNHVUDDTVNNTMX-KGLIPLIRSA-N 448.472 2.659 0 40 IFAB COc1ccccc1CCNC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1Cl 15858340 HRBFAYFKAGFSFI-CYBMUJFWSA-N 436.917 2.634 0 40 IFAB CCCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(OC)cc4)sc3nc2=O)cc1 16736724 PLZHKQXJBFGCJI-QNGOZBTKSA-N 449.532 2.837 0 40 IFAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 18088610 DPNRKCNRXAEVHC-UHFFFAOYSA-N 438.347 2.638 0 40 IFAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)[C@@H](C)N 19449782 NDFFDCQDPHAPKQ-LWIMQRDRSA-N 448.611 2.780 0 40 IFAB Cc1nccn1CC1(O)CCN(Cc2c(C)n(CC(=O)NC3CC3)c3ccccc23)CC1 19581890 XEZLZWUEXIMHDD-UHFFFAOYSA-N 435.572 2.760 0 40 IFAB Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccc5c(c4)OCCO5)nc13)O2 19635636 QGWMPFXLSMWHQG-QGZVFWFLSA-N 442.439 2.613 0 40 IFAB C[C@H](NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1 19749306 BOBOCJBTJVWNCV-HNNXBMFYSA-N 447.470 2.671 0 40 IFAB Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)NCc1ccccc1 19764379 PSBQGHPASQFYCZ-OAQYLSRUSA-N 445.523 2.781 0 40 IFAB Nc1nc(C2CCN(S(=O)(=O)C3CCCC3)CC2)ccc1C(=O)Nc1nccs1 19765776 XWNXHNQXGVPFJX-UHFFFAOYSA-N 435.575 2.824 0 40 IFAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930239 UAWRVYPYUOORJC-UHFFFAOYSA-N 439.921 2.956 0 40 IFAB O=C(CON1C(=O)c2ccccc2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl 20405221 KKAOPQUMQLLNHZ-UHFFFAOYSA-N 442.781 2.510 0 40 IFAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@H]2[C@@H]1C 20466820 LFNAFXSHQQEKBG-NARJSYQGSA-N 436.618 2.955 0 40 IFAB biogenic,in-vitro CC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 22511766 OGKMUABKKPZAKZ-QGZVFWFLSA-N 433.505 2.501 0 40 IFAB COc1cc(NC(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc(OC)c1OC 22766973 QPOXRPGSORPGBN-QGZVFWFLSA-N 434.562 2.884 0 40 IFAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ccccc2O)CC1 23936101 YGQXCEYZVAMSOC-UHFFFAOYSA-N 442.519 2.967 0 40 IFAB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 31002477 UQMCXPNNQUTEEG-QGZVFWFLSA-N 437.452 2.927 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl 32074430 JSVUIPDDWUUMSU-GMXABZIVSA-N 436.361 2.833 0 40 IFAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32102849 VKPCLUNWJSOALE-UHFFFAOYSA-N 439.537 2.994 0 40 IFAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21 33938635 FRNWPTRXNLTCSJ-KGYLXKDPSA-N 426.469 2.840 0 40 IFAB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2cc(C)ccc2C)CC1 35289874 NJZMDBULHNTRRI-HSZRJFAPSA-N 436.560 2.857 0 40 IFAB COCCN(Cc1ccccn1)S(=O)(=O)c1cc(C(=O)OC)sc1Br 40156735 VZFXHKFIZSHSLB-UHFFFAOYSA-N 449.348 2.530 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21 40388950 ATGIIJGGSJWIQH-AAEUAGOBSA-N 445.907 2.733 0 40 IFAB Cc1ccc2c(c1)N(Cc1ccccc1Cl)N=C(C(=O)N1CCOCC1)S2(=O)=O 49402753 GUMHCIRIZDUDSY-UHFFFAOYSA-N 433.917 2.615 0 40 IFAB COC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1cccs1 57416044 UBSZEGGYLIFLGX-FQEVSTJZSA-N 426.542 2.660 0 40 IFAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 58029255 MDUKUFPZHWRMFO-FQEVSTJZSA-N 432.542 2.767 0 40 IFAB Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)c4cc(C)oc4C)CC3)cc2)cc(=O)[nH]1 58087822 ALHUYGJKXPLBGS-UHFFFAOYSA-N 435.484 2.945 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)cc1 71328297 JWDGDLHOAYDKLM-UHFFFAOYSA-N 447.451 2.879 0 40 IFAB Cc1cccc(C)c1OCCNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 72301550 GIZYQYDJXYITRE-UHFFFAOYSA-N 435.546 2.695 0 40 IFAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCCN2CCc1ccccc1 72373779 HSQYFHSHSSSXDC-HXUWFJFHSA-N 429.590 2.724 0 40 IFAB CCCCN1CCC(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 95457534 BTSVRBPAWHSOSE-UHFFFAOYSA-N 429.652 2.996 0 40 IFAB COc1ccccc1CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCc2ccccc2C1 95477581 RFAVMSYZWKSTEW-UHFFFAOYSA-N 447.535 2.740 0 40 IFAB CC(C)c1noc(CCCNC(=O)CCc2ncc(-c3ccc(S(C)(=O)=O)cc3)o2)n1 95946542 AOKYJVKJDSWOMZ-UHFFFAOYSA-N 446.529 2.933 0 40 IFAB Cc1ccncc1NC(=O)c1ncn2c1CN(CC(C)C)S(=O)(=O)c1ccccc1-2 96147394 UPJJZRVZAGZULT-UHFFFAOYSA-N 425.514 2.988 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccccc1 104150362 DHAQSDRMYVTXOT-IEBWSBKVSA-N 449.532 2.909 0 40 IFAB CCOC(=O)[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218226913 GZGANBDTTBPFOX-AOIWGVFYSA-N 438.343 2.958 0 40 IFAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC 220227876 JHQGFEGGUIXQJO-ZDUSSCGKSA-N 438.502 2.514 0 40 IFAB CN(c1ccc(Cl)c(C(=O)NCc2nc(-c3cccs3)no2)c1)S(C)(=O)=O 222506461 AOCZBMDBJWLIAK-UHFFFAOYSA-N 426.907 2.777 0 40 IFAB CCCc1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)cc1 224488908 SWJBSUJRZMTPBK-NRFANRHFSA-N 432.542 2.670 0 40 IFAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225001291 GTBFRHRKFRZCJF-UKAVVXHISA-N 439.556 2.660 0 40 IFAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1Cl 225029637 QFSRHSVIRVHCIR-UHFFFAOYSA-N 439.946 2.967 0 40 IFAB Cn1c(=O)sc2cc(NS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)ccc21 225070764 QPLMCFRIDMBOEY-UHFFFAOYSA-N 429.523 2.700 0 40 IFAB CCOc1ccccc1N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 225276653 RAPFMYJRWWWALH-QGZVFWFLSA-N 448.541 2.588 0 40 IFAB NC(=O)Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 226008648 CFTVLFNRHDFMEQ-UHFFFAOYSA-N 447.532 2.816 0 40 IFAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CC(C)(C)CC(=O)O)C2)c2cnccc2n1 257201957 AJUOURRNXBKIHW-HSZRJFAPSA-N 428.533 2.619 0 40 IFAB CC(=O)N[C@@]12CCN(S(=O)(=O)Cc3ccccc3F)C[C@@H]1[C@@H](c1ccccc1)N(C)C2 257288161 PTCXCXNYECDOIW-YMPZKCBVSA-N 445.560 2.539 0 40 IFAB CNc1nc([C@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 257295965 RAPZZGKABZWYFM-SFHVURJKSA-N 439.535 2.901 0 40 IFAB NC(=O)C[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CC[C@@H]1Oc1ccc(Cl)cc1 257334413 YFTRZKSHSOJTAI-SJCJKPOMSA-N 444.887 2.952 0 40 IFAB CN1c2ccccc2N(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)S1(=O)=O 390829175 DEKSPXLYSMXIJZ-UHFFFAOYSA-N 439.493 2.599 0 40 IFAB O=C1C[C@@H](c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)N2NC=NC2=N1 409377923 KPVVAOBMFCUUCH-INIZCTEOSA-N 442.273 2.643 0 40 IFAB COCC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 585284096 UZLOEGJOFHGRKI-QFIPXVFZSA-N 426.504 2.588 0 40 IFAB Cc1cc(N2CCOCC2)nc(N2CCN(CCc3ccc(Br)cc3)CC2)n1 1889139512 LOMZVQRBMZIWPN-UHFFFAOYSA-N 446.393 2.749 0 40 IFAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2)N1CCN(C(=O)c2ccco2)CC1 793188 QQZOXZBHASSWBN-BBRMVZONSA-N 437.422 2.772 0 40 IFAB COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 2616558 KUQVZHMAKJEBKC-UHFFFAOYSA-N 425.514 2.843 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCc3ccccc32)ccc1C 3288510 PWMDOAIZNRECKV-UHFFFAOYSA-N 430.526 2.772 0 40 IFAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3593343 CKNOHEFZRVWJKM-IBGZPJMESA-N 446.257 2.584 0 40 IFAB COc1ccc(CC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C3CCOCC3)C2)cc1 4260343 RNJZAHYXWBWNEH-RBUKOAKNSA-N 437.540 2.636 0 40 IFAB biogenic,in-vitro CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)Cc1ccccc1 4806392 KNENAMJIAODDGM-OALUTQOASA-N 426.579 2.615 0 40 IFAB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1 8601548 RGQGXYVFPHIGLA-NRFANRHFSA-N 440.521 2.844 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21 9000958 VLVGIUHXYKFENB-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 9223737 RMLBKDWDDOCDGI-UHFFFAOYSA-N 437.529 2.793 0 40 IFAB O=C(COc1cccc(Cl)c1)OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 9445612 JGOJNADYZASUHC-KRWDZBQOSA-N 443.949 2.610 0 40 IFAB O=C1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)CCN1 9516861 NCNRHPKAMMLPCH-HSZRJFAPSA-N 441.531 2.504 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 9592866 UGRRRCCHRWFYDP-UHFFFAOYSA-N 447.582 2.904 0 40 IFAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)Nc1ccc2c(c1)OCO2 9761992 ZTVCJTFIXDUCGE-UHFFFAOYSA-N 425.875 2.911 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1 9852741 CLCMAZCAVZVGFV-UHFFFAOYSA-N 427.482 2.678 0 40 IFAB CCN(CC)CCn1c(C)cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 10233410 VNRAQYIVJXFYBH-UHFFFAOYSA-N 442.951 2.501 0 40 IFAB CC1CCN(C(=S)SCC(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 11011633 GOZOYMQHZNLRIR-UHFFFAOYSA-N 449.598 2.811 0 40 IFAB Cc1cc(=O)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)nn1-c1ccccc1Cl 11529839 JIWGNXVYMZRKFV-UHFFFAOYSA-N 440.887 2.822 0 40 IFAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 11634827 CUKMLFHGGHOARW-HNNXBMFYSA-N 448.501 2.620 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3c(F)cccc3F)CC2)c1 11796650 MAXYWLLIFXJYSF-UHFFFAOYSA-N 437.512 2.545 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)co2)CC1 11963406 ATCKDOIUHDPUFD-UHFFFAOYSA-N 430.457 2.578 0 40 IFAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(C(=O)c3ccco3)C2)on1 12184126 VYKDPPYIWKUVSX-QGZVFWFLSA-N 436.516 2.805 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C1 12591926 VMSMRVWPZXGPGV-HDICACEKSA-N 444.553 2.826 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cccc(NC(C)=O)c2)NC(=O)N[C@H]1c1cccs1 12719330 OXWCWLJEUOEOBW-SFHVURJKSA-N 443.481 2.735 0 40 IFAB Cc1nc2c3ccccc3nc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2n1 13230565 IHDCEQQUEYCTDJ-UHFFFAOYSA-N 436.453 2.755 0 40 IFAB O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(F)c1)NCc1ccco1 13501993 HETXHRGMFXYTIR-UHFFFAOYSA-N 430.461 2.944 0 40 IFAB Cc1cccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 16047022 ITZJVSCJOAUXES-UHFFFAOYSA-N 444.431 2.640 0 40 IFAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 16523695 TUDUGKUXIIUTNX-UHFFFAOYSA-N 442.419 2.855 0 40 IFAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1 19123296 PWRLTCRBWIIYEL-UHFFFAOYSA-N 437.548 2.698 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3c(C)[nH]c4cc(C)ccc34)CC2)cc1 19219628 SIJVYBGPTRNJKN-QFIPXVFZSA-N 443.569 2.833 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)NCCc1ccccc1 19371365 ZLZQNVHVSFUGMP-UHFFFAOYSA-N 428.496 2.624 0 40 IFAB CC(C)N1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 19448198 BLEVLBKHQRNMQF-LJQANCHMSA-N 434.537 2.591 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19528366 MBLCNGGJUHMXEY-QFQXNSOFSA-N 448.567 2.514 0 40 IFAB Cc1nonc1C(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19558757 VJNGXVSEXUIHFL-CQSZACIVSA-N 440.529 2.513 0 40 IFAB NC(=O)C1CCN(C(=O)CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)CC1 19690545 MJRJPJGOOPNTJY-UHFFFAOYSA-N 438.547 2.715 0 40 IFAB CC(=O)N1CCc2cc(S(=O)(=O)NCCc3csc(-c4cccnc4)n3)ccc21 19942469 IJSPNGROJDMNBI-UHFFFAOYSA-N 428.539 2.635 0 40 IFAB COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCc2ccccc2C1 19973174 GFQOOOXBRFGUOI-QHCPKHFHSA-N 444.539 2.926 0 40 IFAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 20481710 JYGUTVJPLLRRJR-GFCCVEGCSA-N 428.457 2.625 0 40 IFAB COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 20493064 RPVABGKZDZZVRS-CVEARBPZSA-N 438.571 2.741 0 40 IFAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(O)=N2 20674140 WYAOJYGAEOQBMD-JTQLQIEISA-N 437.287 2.916 0 40 IFAB C[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 21499852 BZQGJBJLEWJQQY-LBPRGKRZSA-N 432.429 2.917 0 40 IFAB O=C(Nc1nc2c(ccc3ccccc32)s1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 22364884 WRYRKAWJSHCBLJ-ZDUSSCGKSA-N 442.522 2.554 0 40 IFAB Cc1ccc(CNC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1F 22934684 DPMTVXLEAOSSQF-UHFFFAOYSA-N 432.927 2.660 0 40 IFAB C[C@H]1CN(CCNC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C[C@@H](C)O1 22971072 VWUDJHINTCWYMF-GASCZTMLSA-N 429.521 2.974 0 40 IFAB O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2cccs2)CC1 23844449 WUTYTLPTFSDVQF-HXUWFJFHSA-N 433.599 2.636 0 40 IFAB CC(=O)c1ccc(N2CCN(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c(F)c1 24752772 RMQHSVREEPYWBG-JOCHJYFZSA-N 438.547 2.541 0 40 IFAB Cc1cc(C)c(-c2cc(NC(=O)CN3C(=O)C(=O)N(C)C3=O)n(-c3ccccc3)n2)cc1C 32667636 UFFWUNIWBZZGGZ-UHFFFAOYSA-N 445.479 2.824 0 40 IFAB COC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 32894903 YQLNEXBSTGGZCF-UHFFFAOYSA-N 433.313 2.880 0 40 IFAB CCOC(=O)c1sc(NC(=O)CN2C(=O)C(=O)c3ccccc32)c(C(=O)OCC)c1C 33581841 YHHNCZMJXUZAFJ-UHFFFAOYSA-N 444.465 2.578 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F 36569684 ALCVYUZHQVXZOY-SJLPKXTDSA-N 436.509 2.509 0 40 IFAB CCCS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1 40057557 OCMUNPVXHYOCLP-UHFFFAOYSA-N 429.498 2.632 0 40 IFAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 40390705 NWPWFTCROJBMGK-SFHVURJKSA-N 443.507 2.960 0 40 IFAB O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 48276577 YCVMPOFJGACLDU-QGZVFWFLSA-N 449.477 2.865 0 40 IFAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)C1 48325974 FFHKRTGRTBNYDN-INIZCTEOSA-N 432.498 2.604 0 40 IFAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1C 57589659 XQZTVKRSVGRUOF-QHCPKHFHSA-N 444.539 2.726 0 40 IFAB COC(=O)CN(Cc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 59327027 RFBBEZDPJDUQEI-IBGZPJMESA-N 428.916 2.933 0 40 IFAB NC(=O)c1ccc(NC(=O)CN2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 77191099 UQHHBAOMLSCPSM-UHFFFAOYSA-N 445.401 2.892 0 40 IFAB COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(-c4cccnc4)cs3)C2=O)cc1 95472332 ISKVUWMXNWCBHH-MRXNPFEDSA-N 437.481 2.663 0 40 IFAB Cc1ccc(CS(=O)(=O)N2C[C@H](C(=O)NCc3cccs3)C3(CCOCC3)C2)cc1 96078718 UFGKWMCSBSSGBL-HXUWFJFHSA-N 448.610 2.931 0 40 IFAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 100454575 BZKSKLWMOVIDOD-HOTGVXAUSA-N 430.892 2.914 0 40 IFAB CC(=O)O[C@H]1CC[C@@]23[C@@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@@H]3CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]14 119177873 XLUGVKZDVVAUBL-UBDPLUTDSA-N 446.540 2.626 0 40 IFAB CSc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 220065917 CYEBYFIOGXZTEN-UHFFFAOYSA-N 435.571 2.951 0 40 IFAB COc1cccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 223678815 WQDPMLWZVCVRKD-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2cnccn2)CC1 257296190 RBPZEOUQANBJRR-UHFFFAOYSA-N 444.539 2.923 0 40 IFAB NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)NC(c2ccccc2)c2ccccc2)C1 257336561 YOZMVZAACOEVNH-AREMUKBSSA-N 428.536 2.806 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)N1CCCC1 408611460 XAUVEWHDGQAYPF-UHFFFAOYSA-N 431.533 2.881 0 40 IFAB COC(=O)c1cn(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc2c(O)nnc1-2 524734054 RHEGKPDKIRZHOV-LJQANCHMSA-N 428.448 2.951 0 40 IFAB CN(CCn1cccn1)C(=O)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 550162231 ZDFQATPLEOPVRW-UHFFFAOYSA-N 442.523 2.570 0 40 IFAB Cc1cccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccccc4F)CC3)C2)c1 585286841 JKYUVRPUHQAHJS-VWLOTQADSA-N 444.547 2.608 0 40 IFAB Cn1nccc1C(=O)N1CCC2(CCCCOCCNC(=O)c3ccccc3OC2)CC1 643571439 MRPIYFNBPKJCRC-UHFFFAOYSA-N 440.544 2.652 0 40 IFAB O=C1NCCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)[C@@H]1c1ccccc1F 680128237 CGVNEMSOVTUHAQ-OAQYLSRUSA-N 434.471 2.575 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1C(N)=O 1775977711 KOANFYUDSFOHMN-QGZVFWFLSA-N 432.523 2.535 0 40 IFAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2CN(c3nc4ccccc4n3C(C)C)C[C@H]2C1 1888918131 DAVKUSDAGGMONV-ROUUACIJSA-N 442.589 2.724 0 40 IFAB Cc1nc2cc(C(=O)NCC3(O)CCN(c4ccnc5ccncc45)CC3)ccc2n1C 2037880137 FZMKTFHMOVAQDL-UHFFFAOYSA-N 430.512 2.586 0 40 IFAB COc1cccc(NC(=O)N2C[C@@H]3CN(c4cc(-n5nc(C)cc5C)ncn4)C[C@H]3C2)c1 2086896819 JKQFIHMOTIEBSH-ROUUACIJSA-N 433.516 2.888 0 40 IFAB Cc1cc(=O)oc2cc(NC(=O)c3ccn(Cn4nnc(-c5ccccc5)n4)n3)ccc12 2793553 ZSMXQLPWRWOOPB-UHFFFAOYSA-N 427.424 2.710 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1Cl 3489106 FFLXAONXYFKYLT-SFHVURJKSA-N 442.896 2.964 0 40 IFAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 3538110 VHIUTUJFQLUPMP-ZDUSSCGKSA-N 436.917 2.725 0 40 IFAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3ccco3)CO[C@H]12 4222864 GQKROQKHRYNIQQ-LCGIIJARSA-N 426.347 2.812 0 40 IFAB biogenic,in-vitro Cc1cc(C)c(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 8285043 LZABERUGEXFRKC-UHFFFAOYSA-N 425.529 2.924 0 40 IFAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCC1)Cc1ccccn1 8991692 XYKCMJBTYSVREK-UHFFFAOYSA-N 440.953 2.500 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1 9306303 WHZCKVKFAGPDLS-SFHVURJKSA-N 443.525 2.887 0 40 IFAB COc1ccc(OC)c(/C=C/C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 9491234 BDCJXZOYWPPJCY-NYYWCZLTSA-N 439.512 2.651 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 9500504 RVSWULHQRRABIR-UWJYYQICSA-N 440.993 2.894 0 40 IFAB C[C@H]1CCCN(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCC[C@H](C)C2)C1 9583670 CXKZLXSRDCMLMA-IRXDYDNUSA-N 433.574 2.848 0 40 IFAB COc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 12342328 UVGCVOJZNRVORL-UHFFFAOYSA-N 433.555 2.917 0 40 IFAB Cc1nc2ccccc2n1CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 12534924 BJXMLTMPCDRJNH-UHFFFAOYSA-N 440.569 2.878 0 40 IFAB O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1ccc(OCc2ccccc2)cc1 12599968 KFBFQZZUMHIKMM-NRFANRHFSA-N 439.443 2.676 0 40 IFAB CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1C 12893087 IOSAZKOERPLFJJ-CSODHUTKSA-N 432.929 2.952 0 40 IFAB O=C(CSc1ccc(F)c(F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13015203 GNJIKXZPGAYJJE-UHFFFAOYSA-N 428.482 2.717 0 40 IFAB COCCNC(=O)[C@H](c1ccc(C)o1)N(CCC(C)C)C(=O)Cn1nnc2ccccc21 13508379 PMCPLAGLMRLTFN-QFIPXVFZSA-N 441.532 2.711 0 40 IFAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1 13688627 GZUAAWHZPRMSGB-UHFFFAOYSA-N 449.960 2.886 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 13858196 FEHZXNZLIZWLMH-UHFFFAOYSA-N 441.347 2.882 0 40 IFAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)c1c[nH]c2ccccc12 14634086 WXXJWTPZLVCTHR-OAHLLOKOSA-N 444.582 2.863 0 40 IFAB COc1ccc(C(=O)Oc2coc(CSc3nnc(NC(C)=O)s3)cc2=O)cc1 16047721 XRRCYGVRAZAIHP-UHFFFAOYSA-N 433.467 2.970 0 40 IFAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(C)C3)C1 19499387 KEVVMLYFPQQZKR-IERDGZPVSA-N 440.544 2.742 0 40 IFAB COc1ccc2c(c1)C[C@@H](c1cccnc1OC)N[C@H]2c1ccc(OCC(N)=O)c(OC)c1 19562601 AQGWINWJXHADEW-RDPSFJRHSA-N 449.507 2.948 0 40 IFAB CC(C)(C)CN1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699415 OGLXTMSMDRYIGX-UHFFFAOYSA-N 426.561 2.724 0 40 IFAB Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)n1 19767043 SWHGLEBHSJJTTE-GOSISDBHSA-N 447.561 2.932 0 40 IFAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc21 20214963 NGBXWMGELUORKN-UHFFFAOYSA-N 442.585 2.971 0 40 IFAB CCOC(=O)N1CCN(C(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1 20765434 PDVSYDYNAMMQDV-UHFFFAOYSA-N 435.480 2.914 0 40 IFAB CC1CCC(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 21331825 BXKCUYNXGYGAFD-UHFFFAOYSA-N 432.542 2.746 0 40 IFAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)C2=O 24067314 FYBNOXKYJXCUMG-XAPDGSRCSA-N 429.517 2.772 0 40 IFAB C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(N)nc(N(C)C)n1 24904237 YLRZTAFTXRJSFF-RYUDHWBXSA-N 431.545 2.716 0 40 IFAB O=C(COc1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 24926464 XXKATNSCKHACFR-UHFFFAOYSA-N 446.422 2.756 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3c2C(F)(F)F)NC(=O)N[C@H]1C 25986734 DFYLGLKXZAIAMB-JTQLQIEISA-N 437.374 2.929 0 40 IFAB Cc1cc2oc(=O)cc(Cn3c(=O)c4ccc(C(F)(F)F)nc4n(C)c3=O)c2cc1C 26129904 FCGCTXJQACYCIG-UHFFFAOYSA-N 431.370 2.886 0 40 IFAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)s1 29268473 PTSNIKCVEDTEQC-UHFFFAOYSA-N 432.571 2.736 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32768941 QKIYSMMQSBUMHN-UHFFFAOYSA-N 441.557 2.874 0 40 IFAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 35684847 BGHYCHLCKCRBED-INIZCTEOSA-N 425.470 2.677 0 40 IFAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 40157726 OJHOXQXAWKKJGR-GTJPDFRWSA-N 427.482 2.647 0 40 IFAB Cc1ccc2c(c1)N(C(=O)Cn1nc3ccc(Sc4ccccc4)nn3c1=O)CCO2 49001638 GBUPOMDFLCTFRT-UHFFFAOYSA-N 433.493 2.776 0 40 IFAB COc1ccc(CNC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1 57489806 SKDPFRFXCKWALC-UHFFFAOYSA-N 435.505 2.847 0 40 IFAB COC(=O)c1cc2cc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)ccc2o1 65589198 WPCZEDJRVSPELJ-AWEZNQCLSA-N 436.420 2.982 0 40 IFAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c2s1 67225785 BBYLDUHAHARBHR-UHFFFAOYSA-N 449.492 2.857 0 40 IFAB Cc1cc(-c2csc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)c(F)cc1F 72313250 DHVFISUWJORGAF-UHFFFAOYSA-N 443.435 2.595 0 40 IFAB CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 72321121 OVSAXZWGLDOZPX-IFMALSPDSA-N 432.542 2.545 0 40 IFAB biogenic,in-vitro CC(C)OCC(=O)N(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 72352064 YJHICKLDZAAMJF-MRXNPFEDSA-N 443.523 2.586 0 40 IFAB CN1CCCc2ccc(S(=O)(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)cc21 79061530 ANGMURCRPZMXOL-UHFFFAOYSA-N 428.558 2.572 0 40 IFAB CCC(CC)[C@@H](CNS(=O)(=O)c1cc2c(cc1Br)OCCO2)N(C)C 97166141 SAJHBPXTPYUFMX-CQSZACIVSA-N 435.384 2.865 0 40 IFAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(Cc3ccccn3)CC2)Nc2ccccc21 100117660 RWLVOPPXSZCDPN-BFFCPOFVSA-N 445.567 2.714 0 40 IFAB Cc1ccc(Cl)cc1N1C(=O)/C(=C\N[C@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 102583367 WXEOBIUYQUXUGG-GZQZNAIASA-N 430.913 2.953 0 40 IFAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)s2)cc1F 103117895 BIVOPTAIZAAEHP-LSOMNZGLSA-N 425.485 2.927 0 40 IFAB CCOc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 113936919 QKEIZPFSWCKPNU-UHFFFAOYSA-N 449.548 2.630 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@@H]1CCC[C@H]1Cc1ccco1 139261365 AUDRWADRXKYILE-CTAFRAEOSA-N 437.540 2.695 0 40 IFAB biogenic CN(CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 219397808 QMAAXLHZCIKVKK-LJQANCHMSA-N 437.949 2.510 0 40 IFAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)ccc1Cl 220172728 GKMXKJHMUWSSEK-LBPRGKRZSA-N 440.905 2.928 0 40 IFAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225001166 GTBFRHRKFRZCJF-JYAXBFRTSA-N 439.556 2.660 0 40 IFAB COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccc4c(c3)OCO4)C2)cc1 306139724 TYOHPUCQYWPHBZ-DEOSSOPVSA-N 432.480 2.590 0 40 IFAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2OC)cc1 408661153 BFSXWFHHUMEFBG-UHFFFAOYSA-N 428.441 2.773 0 40 IFAB COC(=O)c1cn([C@H]2CCCN(c3nnc(-c4cc5c(s4)CC[C@@H](C)C5)n3C)C2)nn1 507961002 IDJRTAWYEPXNSC-HIFRSBDPSA-N 441.561 2.888 0 40 IFAB Cn1c([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 524734836 QWUOJXGRCACRTL-AZUAARDMSA-N 431.496 2.768 0 40 IFAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3nsc(Cl)c3Cl)cc2NC1=O 585281633 NPHJMZIAEUPBMB-MRVPVSSYSA-N 436.298 2.678 0 40 IFAB Cc1ccc(OC[C@@]2(O)COCCN(CC3(O)CCN(c4ccc(C)cc4)CC3)C2)cc1 585285277 WVUMQPQJFPKUQA-SANMLTNESA-N 440.584 2.777 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NC3CCN(C(=O)c4ccncc4)CC3)C2)c1 613871215 RYMWXGVUYPRWEN-OAQYLSRUSA-N 448.567 2.972 0 40 IFAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ocnc3C)CCO2)C1=O 643556311 IXBIEUAKTFXALX-DEOSSOPVSA-N 441.528 2.848 0 40 IFAB COCCn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)CO1 2056225723 ZWZUBERJNSWIAM-NRFANRHFSA-N 444.551 2.860 0 40 IFAB COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)CC(=O)N23)cc(OC)c1OC 2093788 HDSPLXCEIFWXMZ-VGSWGCGISA-N 435.480 2.508 0 40 IFAB biogenic COC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc32)sc2c1CCCC2 3279996 CAWYCBRBZMYZNF-UHFFFAOYSA-N 427.482 2.945 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC3CC(C)(C)NC(C)(C)C3)CS[C@H]21 4295713 KZZYZKIFZWAXDW-VBKZILBWSA-N 433.574 2.699 0 40 IFAB CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2OC)no1 8587223 GAPCIGUKXHUMTD-UHFFFAOYSA-N 446.504 2.958 0 40 IFAB O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 8992249 SKTJXOVKIFUGNT-CYBMUJFWSA-N 438.879 2.589 0 40 IFAB Cc1sc2nc(-c3cccc(NC(=O)CSc4n[nH]c(N)n4)c3)[nH]c(=O)c2c1C 9282833 NPJCKGBTTJXUJO-UHFFFAOYSA-N 427.515 2.700 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(F)cc3)C2)cc1 9305076 TYNTUULJVDHEGC-GOSISDBHSA-N 447.532 2.544 0 40 IFAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)C1=O 9465563 IBSUYQZEVZGBIO-QFIPXVFZSA-N 441.415 2.553 0 40 IFAB COc1ccccc1Nc1nc(N)nc(CSc2nnnn2Cc2cccs2)n1 9789394 ALJBORJJTHMYEQ-UHFFFAOYSA-N 427.519 2.595 0 40 IFAB COC(=O)C1=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 10232161 UJHXRYUZBVUEKA-INIZCTEOSA-N 440.803 2.560 0 40 IFAB COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029738 KNVCRKBOGYYMMX-OAHLLOKOSA-N 443.930 2.562 0 40 IFAB Cc1nnc(SCC(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)s1 12086461 KHLFNNVUNGLQPM-YWZLYKJASA-N 432.571 2.960 0 40 IFAB Cc1csc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 12322432 MPIVYJVXORFJAT-OAHLLOKOSA-N 430.505 2.821 0 40 IFAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)c(C)c2)CC1 12522696 BHQYIXHFEWSUKV-QGZVFWFLSA-N 448.564 2.582 0 40 IFAB CCc1cc2c(=O)n(CC(=O)Nc3ccc(S(=O)(=O)N(CC)CC)cc3)cnc2s1 12765378 QJICEARZXHJDQA-UHFFFAOYSA-N 448.570 2.690 0 40 IFAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12918385 RYBDMYQQJIFORC-GOSISDBHSA-N 436.530 2.814 0 40 IFAB Cc1nc(Cc2nnc(SCC(=O)Nc3ccc(CN4CCOCC4)cc3)o2)cs1 13120749 AZEXCJZFSGHKPG-UHFFFAOYSA-N 445.570 2.988 0 40 IFAB CCn1nc(C(=O)N(CCN2CCOCC2)c2nc3ccc(OC)cc3s2)cc1C 13703100 RIBJEGDWXGBWEW-UHFFFAOYSA-N 429.546 2.809 0 40 IFAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(F)c(F)c1 13956389 DCSFIABZQSTWSR-UHFFFAOYSA-N 435.431 2.893 0 40 IFAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 17052302 FBHJNHQATNSYMM-UHFFFAOYSA-N 429.325 2.905 0 40 IFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 18047297 XGUORRHBOCQQIB-QUCCMNQESA-N 429.517 2.818 0 40 IFAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19339353 VRBZQVJWRKMUGH-JOCHJYFZSA-N 447.514 2.769 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743702 MYEFUGCVCXWWPH-LJQANCHMSA-N 444.539 2.670 0 40 IFAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 20898383 MUDFCKCJJSZOPA-UHFFFAOYSA-N 441.597 2.573 0 40 IFAB COc1cc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c(OC)cc1Cl 22230803 HJLOOZSVGVBAIT-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB COC(=O)C1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CC1 26457428 WAMDDZKBJKUJRD-QGZVFWFLSA-N 442.343 2.808 0 40 IFAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 29871561 QZSKXSNDACHUEM-HXUWFJFHSA-N 432.542 2.508 0 40 IFAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 30850343 DYEQGIHVSBZDNL-OAHLLOKOSA-N 434.514 2.848 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1S(=O)(=O)N1CCOCC1 37224350 HBQUHFZMVVBXFM-UZKLJGFLSA-N 436.574 2.670 0 40 IFAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38855198 RBEFHGYYVZDACW-FQEVSTJZSA-N 445.541 2.628 0 40 IFAB CCOc1ccc(-n2ncc(C(=O)Nc3ccccc3N3CCN(CC)CC3)c2C)nn1 40040022 JVWNDQAVXSWRQE-UHFFFAOYSA-N 435.532 2.764 0 40 IFAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)ccc21 40081822 KCSZBVJDKOETNM-LJQANCHMSA-N 443.507 2.762 0 40 IFAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)n2)c[nH]1 48236710 PDQCQFXDIQRCII-CYBMUJFWSA-N 431.518 2.791 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c(C)c1 49409204 LUCASCWEOZJIAM-UHFFFAOYSA-N 431.558 2.977 0 40 IFAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)NCc1ccccc1 57493673 WZWQFJOPHVKDAM-UHFFFAOYSA-N 425.535 2.845 0 40 IFAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)N[C@@H](C)c3ccco3)CC1)O2 72328019 AWCARCYGRPGVNU-WOGXIUBCSA-N 439.512 2.727 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)CN2CCOCC2)nc2c1CCCN2CCc1ccccc1 72372919 CDLHEVODLAEDNL-HSZRJFAPSA-N 449.599 2.776 0 40 IFAB CC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1noc(-c2cccc(Br)c2)n1 84734878 NSNPMGRPIOILCV-FZMZJTMJSA-N 442.335 2.891 0 40 IFAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)Nc3ccccc3C)CC2)O1 96144880 WGWGAYTVMDQFIK-LJQANCHMSA-N 425.533 2.982 0 40 IFAB COc1cccc(N(CCCC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)c1 222594527 VDMUVQQMXMYYNU-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 223445169 ALLZUHRFTDDIQT-GJZGRUSLSA-N 436.530 2.744 0 40 IFAB COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)CC1 224123462 RTYWZECVQSPZCM-UHFFFAOYSA-N 430.526 2.845 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 226037694 GOKONJVGHBDABL-UHFFFAOYSA-N 432.542 2.977 0 40 IFAB CC[C@H](OC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3C)C[C@@]23C=C[C@H]1O3)C(=O)NC(C)(C)C 245227594 PYTPVJGHIUBBRS-DBECHEOZSA-N 440.540 2.826 0 40 IFAB COc1ccc(C(=O)[C@@H]2[C@@H]3[C@H]4CO[C@@H](O4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)c(OC)c1 247905811 SENZXLJEQCKYHY-NPTCQADSSA-N 433.460 2.727 0 40 IFAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)N[C@@]12C(=O)Nc1c(C)cccc12 248328309 BQDLWEHAVJYOKK-ORIGJIQFSA-N 429.904 2.802 0 40 IFAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 252394280 DNMISKGVNCVSCQ-DQLDELGASA-N 442.512 2.934 0 40 IFAB O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1)NCc1ccccc1 408614484 CSNJPYPWPYVUQO-IBGZPJMESA-N 447.491 2.644 0 40 IFAB Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 408655735 LXEOVWKKQJLBMI-SFHVURJKSA-N 445.475 2.823 0 40 IFAB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408672460 ZEZBYWRSVCNFDE-QZTJIDSGSA-N 434.448 2.946 0 40 IFAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1 409211541 ODAKCAPAMKURSN-RQNDZEIBSA-N 432.498 2.676 0 40 IFAB COCCNC(=O)c1ccc2c(c1)[C@H](C1CCN(C(=O)Cc3ccccc3)CC1)C(=O)N2 585113259 WQRYSDAMEUTJDY-QHCPKHFHSA-N 435.524 2.580 0 40 IFAB Cc1cccc(OC[C@]2(O)COCCN(Cc3cccc(OCCn4cccn4)c3)C2)c1 585274788 NVSBSVCCVLQXMR-RUZDIDTESA-N 437.540 2.913 0 40 IFAB Cc1ccccc1OC[C@]1(O)COCCN(CC2(O)CCN(c3ccccc3F)CC2)C1 585287771 QVFVLAYQZRYXBH-RUZDIDTESA-N 444.547 2.608 0 40 IFAB CCC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)N1CCc2sccc2C1 589075455 HFWGTLJMVBJXKA-KSSFIOAISA-N 439.537 2.602 0 40 IFAB O=C1Cc2cc(S(=O)(=O)N3CCC(COc4cc(C5CCC5)ncn4)CC3)ccc2N1 1775970499 OPRRHHGIHGZZKS-UHFFFAOYSA-N 442.541 2.718 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)NC3CCCC3)o2)cc1 922198 ZUESNDFUCTVYGA-UHFFFAOYSA-N 438.575 2.918 0 40 IFAB CN(C)C[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)CN(C)C)cc2)cc1 1288616 JAASKQSZJDOJLJ-SZPZYZBQSA-N 430.589 2.615 0 40 IFAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN(C)C)cc12 4132912 MQXHDTFNJJQZBQ-IBGZPJMESA-N 430.618 2.952 0 40 IFAB COCCNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6239053 VGQCIBDZRYSWNF-UHFFFAOYSA-N 425.510 2.780 0 40 IFAB Cn1c(=O)c2c(nc3n(C[C@H]4CCCO4)c(-c4ccc(Cl)cc4Cl)cn23)n(C)c1=O 9110410 PGIGAYUUJPVGSJ-GFCCVEGCSA-N 448.310 2.839 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)cc1 9285234 BTZHOGFJTVBVFR-UHFFFAOYSA-N 445.522 2.696 0 40 IFAB C[C@@H](OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)NC(N)=O 9334415 OFMDLKYWPBNSAJ-GFCCVEGCSA-N 446.916 2.957 0 40 IFAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nccs1 9614917 VKJQFWZKHVHCON-UHFFFAOYSA-N 434.522 2.597 0 40 IFAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCCC[C@H]1c1nc2ccccc2s1 9742213 VBKWLCALRJATPS-INIZCTEOSA-N 428.539 2.848 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(Cl)c2)c1 9807139 ZVJYBCUMHMZNSE-SFHVURJKSA-N 449.960 2.865 0 40 IFAB COc1ccc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c(OC)c1 11133261 SCURWYPNUOIIOJ-HNNXBMFYSA-N 435.498 2.521 0 40 IFAB CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12793892 CMAZCJQYZUCBOP-UHFFFAOYSA-N 448.516 2.656 0 40 IFAB COc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(OC)c1OC 12855539 RRRPIDVLZNRQOP-HNNXBMFYSA-N 427.501 2.908 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN[C@@H](C)c3cccc(F)c3)cc2)C[C@@H](C)O1 13096464 FBRIVQXFKBCLNB-BBWFWOEESA-N 449.548 2.913 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCN1C(=O)c1cccs1 13136227 PQTHGFXZEWCZIG-KRWDZBQOSA-N 433.555 2.776 0 40 IFAB COc1cccc(CNC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 13533601 PLWLWXBAHCZORQ-UHFFFAOYSA-N 449.532 2.792 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)NCCSCc2ccccc2Cl)ccc1OC 13678036 XWOPSAZONJEHFD-UHFFFAOYSA-N 428.963 2.920 0 40 IFAB C[C@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc(N)nc(N(C)C)n1 14184786 KBAYLCGLAKFBDU-AWEZNQCLSA-N 430.472 2.686 0 40 IFAB C[C@@H](C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)n1c(=O)oc2ccccc21 14316335 UALUQQBNJWNUOF-AWEZNQCLSA-N 437.452 2.762 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c(=O)c2C1 19239449 YBLZJYVMYQWYCS-LAUBAEHRSA-N 447.539 2.692 0 40 IFAB Cc1cc(NS(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N3CCC(C)CC3)c2)no1 20024955 LFHULOGXHNWTIQ-OAHLLOKOSA-N 435.502 2.588 0 40 IFAB O=S(=O)(/C=C/c1ccccc1)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 23437356 BOQUOVDQMHVAHM-KLCVKJMQSA-N 432.567 2.996 0 40 IFAB CN(c1ccc(-c2csc(NC(=O)CCNC(=O)C(C)(C)C)n2)cc1)S(C)(=O)=O 25246096 DUFPNKFZWIUGDD-UHFFFAOYSA-N 438.575 2.697 0 40 IFAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cnccn2)CC1)OCc1ccccc1 25344102 WNPPALQIKNRNKC-QFIPXVFZSA-N 445.523 2.663 0 40 IFAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)C 26642810 DPWXHYLUOQEQAX-FQEVSTJZSA-N 431.558 2.947 0 40 IFAB O=C(C1CCN(C(=O)[C@H]2CCCN(c3cnccn3)C2)CC1)N1CCc2ccccc2C1 29883632 RXXCWUMETQMXJT-QFIPXVFZSA-N 433.556 2.517 0 40 IFAB CCc1cc2oc(=O)cc(COC(=O)c3cc(S(=O)(=O)NC)cn3C)c2cc1Cl 32850547 DEFLCIBIYMBCCM-UHFFFAOYSA-N 438.889 2.612 0 40 IFAB COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cccc(C(=O)O)c2)cc1OC 35685343 FEYAYRNOSGITBX-INIZCTEOSA-N 436.424 2.788 0 40 IFAB COc1ccc([C@@H]2SCC(=O)N2[C@H]2C(=O)N(c3ccccc3)N(C)[C@H]2C)c(OC)c1 36108837 VZOZFTFPRORIHG-OTPBECDQSA-N 427.526 2.929 0 40 IFAB CCN(CC)Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 38755048 KXLDQAVTDBOGHK-UHFFFAOYSA-N 436.553 2.919 0 40 IFAB Cc1nc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nn1-c1ccc(F)cc1 40072284 GSLPBRPQCHXAPK-UHFFFAOYSA-N 426.427 2.844 0 40 IFAB Cc1nc2ccccc2c(=O)n1CCC(=O)OCC(=O)N(C)[C@H](C)c1ccc(F)cc1 40072564 FASULNRSUHNFIJ-OAHLLOKOSA-N 425.460 2.997 0 40 IFAB COC(=O)c1cn(Cc2cccc(F)c2)nc1S(=O)(=O)N1CCc2ccccc2C1 49402186 FSHNOMMRUPTEQF-UHFFFAOYSA-N 429.473 2.604 0 40 IFAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(OC(F)F)cc1OC(F)F 59000277 ZROCOWHAUDFTSN-UHFFFAOYSA-N 447.366 2.567 0 40 IFAB COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(Br)ccc1F 61720693 LUAKAXGPUAXTNP-VFZGTOFNSA-N 425.258 2.530 0 40 IFAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC(N(C)C)CC1 72027694 ZUYJGIHWJZGSGZ-KRWDZBQOSA-N 442.423 2.853 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)cc5)nn4ccn3c2=O)cc1 85643017 LZUJMOWYUCQADM-UHFFFAOYSA-N 428.452 2.766 0 40 IFAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@H]1CS(=O)(=O)CCO1 95454262 HVDCDJCKPDYVPI-LBPRGKRZSA-N 442.946 2.506 0 40 IFAB COCCNC(=O)[C@@H]1CCC[C@@H](NCc2ccc(C(F)(F)F)cc2)CN(C)C(=O)C1 96113436 NIWMGOMSFKOELY-SJLPKXTDSA-N 429.483 2.575 0 40 IFAB biogenic,in-vitro CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O 96144385 HPIFXEHZLGBPOB-VWLOTQADSA-N 433.556 2.766 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)Cc1ccccc1F 223575353 HIXOHLLUAQXVMV-UHFFFAOYSA-N 430.501 2.936 0 40 IFAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223823447 GXOIAHTUPULJGX-MRXNPFEDSA-N 439.487 2.755 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc2ccccc12 260888546 BHRVSWINUGADLH-KRWDZBQOSA-N 426.494 2.562 0 40 IFAB CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@]12CCN(Cc1ccccc1)C2 306143858 YORAQIPWHFLKBE-RPWUZVMVSA-N 427.614 2.745 0 40 IFAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(Cl)c1 408636862 VDDGAFZTHBOCRI-UHFFFAOYSA-N 442.921 2.599 0 40 IFAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 408670762 XDMVGDUERBIJEN-MRXNPFEDSA-N 439.468 2.579 0 40 IFAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 409393512 XHADWYPOINEJEF-UHFFFAOYSA-N 432.498 2.584 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc23)N(C)C)cc1C(N)=O 575618813 CSUPGTNPBHPCCL-KRWDZBQOSA-N 433.555 2.590 0 40 IFAB COCCOc1cc(CN2CC[C@@](O)(CN(C)Cc3ccc(OC)cc3)C2)ccc1OC 585269610 BIUOCRXSBPGZPW-RUZDIDTESA-N 444.572 2.798 0 40 IFAB Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)ncn2)n1 585291456 PSKDXOHNWGZNBS-IPLHWJFFSA-N 432.532 2.855 0 40 IFAB CCCC(=O)N1CCC2(CCCCc3ccccc3OCCNC(=O)[C@H](C)NC2=O)CC1 643565333 WXMMFNXRFMHDMN-IBGZPJMESA-N 443.588 2.822 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CN(C(=O)c1ccncc1)C2 1549166216 BNSQEMGXWNVOFP-NRFANRHFSA-N 432.524 2.547 0 40 IFAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2129979 HQVRAAHWGUMKGD-CWTRNNRKSA-N 436.420 2.559 0 40 IFAB biogenic Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)(=O)C2 3008509 ZQRPOKYDRIGTSO-UHFFFAOYSA-N 435.461 2.968 0 40 IFAB Cc1ccnc2nc(C(=O)OCC(=O)NCCC(c3ccccc3)c3ccccc3)nn12 3385330 WNNHUJMIGCMDIZ-UHFFFAOYSA-N 429.480 2.928 0 40 IFAB COc1ccc(CNC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 3535592 RIDCFKJFNLFWRW-UHFFFAOYSA-N 435.456 2.677 0 40 IFAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 8676984 ITRKVJJQWKYLQN-HXUWFJFHSA-N 447.557 2.736 0 40 IFAB Cc1cc(O[C@@H](C)C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2c(C)cc(=O)oc2c1 8879208 NIYUNFSVJZLKDB-KSZLIROESA-N 434.492 2.985 0 40 IFAB biogenic O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NC(=O)NCCC1=CCCCC1 8942829 JHNWOCZPSJOIEK-NRFANRHFSA-N 430.530 2.548 0 40 IFAB COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 9314516 SQQKIWCETYTWMD-LJQANCHMSA-N 426.469 2.800 0 40 IFAB Cc1cccc(N2CCN(C(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)c1C 9669077 HLBWSJSDEIEPJA-UHFFFAOYSA-N 437.512 2.696 0 40 IFAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4)nc32)cc1OC 9739344 DGTWECXVWMLMJG-UHFFFAOYSA-N 425.832 2.545 0 40 IFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)c1ccc(Br)s1)C2=O 10758017 SCYBWPOVJFHQOD-DYZYQPBXSA-N 443.319 2.737 0 40 IFAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cc1Cl 11866600 SLCQJHRMHPGNRD-CQSZACIVSA-N 437.924 2.781 0 40 IFAB COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030589 SNSLJUHTIPMEPI-HNNXBMFYSA-N 443.930 2.562 0 40 IFAB Cc1nn(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)c(C)c1C 12231942 JYHCIPOTURCZGC-UHFFFAOYSA-N 447.326 2.900 0 40 IFAB Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1 12628547 IGOAERVYUKGJSM-FQEVSTJZSA-N 442.516 2.863 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccccc2Br)CC1 12790437 LKHPNHFHQHIKRQ-UHFFFAOYSA-N 442.335 2.591 0 40 IFAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)C1=O 12855167 REFBUMJSODLRAT-DEOSSOPVSA-N 434.496 2.718 0 40 IFAB NC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 12904071 WKBDTWMDJUOXRD-UHFFFAOYSA-N 429.542 2.922 0 40 IFAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1C 13074358 ULILOMLGLZPIPS-HLIPFELVSA-N 436.574 2.571 0 40 IFAB COc1cccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(F)cc4)nn23)c1 13706441 ZOFLDATUXACMKT-UHFFFAOYSA-N 437.431 2.513 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc4nnc(C)n4n3)cc2)c1 14057074 BAFFLKWJDMIPCO-UHFFFAOYSA-N 425.470 2.918 0 40 IFAB O=S(=O)(c1ccc(Nc2ccc3c(c2)nc2n3CCCCC2)nc1)N1CCOCC1 15115094 VVMMJUAJMLEXTM-UHFFFAOYSA-N 427.530 2.922 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)CC2=Nc3ccccc3S(=O)(=O)N2)CC1 15678491 LHGFMGPDDXQOLT-UHFFFAOYSA-N 432.933 2.709 0 40 IFAB COc1ccccc1CCNC(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1Cl 15858339 HRBFAYFKAGFSFI-ZDUSSCGKSA-N 436.917 2.634 0 40 IFAB Cn1cc(C(=O)N2CCN(CCc3ccccc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 16839099 NACPUFPNMKCLKC-UHFFFAOYSA-N 441.535 2.676 0 40 IFAB C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459053 FTQUUPWIGVPNNY-GHTZIAJQSA-N 443.551 2.843 0 40 IFAB CCN(CC)CCN1C(=O)[C@@H]2CN(Cc3ncccc3C)C[C@]2(C)NC(=O)c2ccccc21 19526396 AVMXFEUCEYQGQT-LVXARBLLSA-N 449.599 2.699 0 40 IFAB NC(=O)c1[nH]c(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)nc1-c1ccc(F)cc1 19697020 RBLGLEPJQXDQDI-SFHVURJKSA-N 444.507 2.606 0 40 IFAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCC3CCCC3)CC1)C2=O 19701350 OWIKDLGLEMOGPL-UHFFFAOYSA-N 432.609 2.990 0 40 IFAB CC(C)Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)c2ccccc2c1=O 23675451 OBLDCSBYIKGMLZ-UHFFFAOYSA-N 426.561 2.817 0 40 IFAB CC(C)[C@H](NC(=O)CN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1)c1ccc(F)cc1 24760858 ZZXGUYDXZRDROO-DFIYOIEZSA-N 446.611 2.761 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1OC 26112116 AQKVTGAMFAGZFX-UHFFFAOYSA-N 445.541 2.872 0 40 IFAB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 32741649 PREGNVTUPSJDKU-JOCHJYFZSA-N 444.553 2.960 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 40154112 ADJYHLQAZZEDTO-LJQANCHMSA-N 433.530 2.676 0 40 IFAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)CC1 48262714 QDBMTCJGDUIWFK-IMSXRSKXSA-N 444.620 2.520 0 40 IFAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCCC2)c1 48264439 YKTRSKKUDLTTGA-RXVVDRJESA-N 430.549 2.696 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC1CCCCC1 56945711 DLRCOCMFQHUELU-NRFANRHFSA-N 442.535 2.847 0 40 IFAB CC[C@H](C)NC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O 57503266 LIVZUSSITWRRFE-LBPRGKRZSA-N 426.864 2.781 0 40 IFAB CCC(=O)c1ccc(OCC(=O)N(c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 58391656 BHMRNVHJYRDJOK-SFHVURJKSA-N 431.510 2.887 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)C2)cc1 95945441 ZSWVYSLTRKUOJU-VEXUSMLFSA-N 441.597 2.568 0 40 IFAB CN(CCO)C1CCN(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1 95996503 SEWUQHYPWLRZEI-UHFFFAOYSA-N 426.517 2.625 0 40 IFAB O=C1CCc2cc(S(=O)(=O)NCC3(c4cccs4)CCOCC3)cc3c2N1CC3 96119230 QPKAYAOYNPUXDC-UHFFFAOYSA-N 432.567 2.610 0 40 IFAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3cccnc3)cn12 96156799 OYHADKCVMADNJZ-JOCHJYFZSA-N 447.587 2.574 0 40 IFAB C[C@H](Oc1ccc(N=C=O)cc1)C(=O)OCCOC(=O)COc1ccc(N=C=O)cc1 114670076 OEBHFUOYJOLKNE-HNNXBMFYSA-N 426.381 2.554 0 40 IFAB COC(=O)c1cccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1C 222581511 AHKFIHHSOOBKTB-UHFFFAOYSA-N 434.514 2.975 0 40 IFAB C[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224403150 CBZYOHNOTWOKDV-GOSISDBHSA-N 432.542 2.824 0 40 IFAB CCN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 226048169 OZNMYGOQJOSKPR-UHFFFAOYSA-N 443.569 2.809 0 40 IFAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 238941880 WBGMOOWXJRXTLR-LJQANCHMSA-N 429.565 2.840 0 40 IFAB CCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)ccc21 257267621 MIBZCXAMOKDBPF-INIZCTEOSA-N 438.532 2.670 0 40 IFAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 257292142 QKENTFNSFWKHJF-ZPFZUWPUSA-N 444.959 2.760 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccccc1)O2 260844145 FNYFHDYARVJXGB-HXUWFJFHSA-N 432.542 2.706 0 40 IFAB Cc1nc(C(=O)N2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)cs1 306137728 REHBGJHQNFPEDJ-UHFFFAOYSA-N 428.562 2.584 0 40 IFAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1 409346327 KGRGCKGEUAGBMP-PDGQHHTCSA-N 446.525 2.923 0 40 IFAB C[C@@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC12CCC2 536590481 HHFJQRYUCYEMKF-GOSISDBHSA-N 435.590 2.570 0 40 IFAB C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC1CCN(S(=O)(=O)C2CC2)CC1 540217979 WVKLLEBGUKEPMW-OAHLLOKOSA-N 427.998 2.623 0 40 IFAB Cc1ccc(N2CC[C@]3(CN(C(=O)c4cn(C)nc4C(F)F)CCC3(F)F)C2)nn1 585101888 KIUGFWNMTODEPX-GOSISDBHSA-N 426.418 2.834 0 40 IFAB Cn1ccnc1S(=O)(=O)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888976920 UJAGGLYKDIPNEI-UHFFFAOYSA-N 434.525 2.994 0 40 IFAB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccccc3F)C2)cc1 645106 GJQVPMNSUYCZAY-GOSISDBHSA-N 425.507 2.698 0 40 IFAB COc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C)cc1 912637 XCAQDQKXKVTOTQ-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB COC(=O)CSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@@H](Cc3ccccc3)N12 1399028 XXEFJTQZCLGDOQ-MRXNPFEDSA-N 439.493 2.811 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1510436 CPEHHLWQAOZSST-UHFFFAOYSA-N 442.541 2.767 0 40 IFAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]12 6136143 ONLBMTKUPJXPHO-CXDKZYLESA-N 438.094 2.848 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc(C)ccc4[nH]3)C2)cc1 6150620 DYBCXQHOIZITPS-UHFFFAOYSA-N 430.555 2.762 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 8717993 ZWIVRZOCEJWYBV-OAQYLSRUSA-N 446.550 2.892 0 40 IFAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccccc2O)CC1 9207074 WRVZFOCSXWLUHG-UHFFFAOYSA-N 443.569 2.919 0 40 IFAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnnn2C)cc1OC 9491167 MQBTZMKOABJUCS-CQSZACIVSA-N 444.542 2.759 0 40 IFAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccccc3C(=O)N3CCCC3)c2c1 9577012 GFBVAGDQCNFMMW-UHFFFAOYSA-N 434.496 2.710 0 40 IFAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)n1Cc1ccco1 9779267 WVMDYHYMFOWMMH-UHFFFAOYSA-N 425.466 2.981 0 40 IFAB Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc3ccsc3n12 12088501 LSMMTQRTZVODAI-UHFFFAOYSA-N 425.489 2.507 0 40 IFAB O=C1C[C@H](Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1Cc1ccccc1 12535976 SWHNXYWENQKFNT-KRWDZBQOSA-N 442.522 2.684 0 40 IFAB CCCn1ccn(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1=S 12740367 RNPAHDGPLPQOGU-UHFFFAOYSA-N 434.509 2.810 0 40 IFAB COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12761069 WNJIWTVHWKVZSA-IYBDPMFKSA-N 446.525 2.548 0 40 IFAB CN(Cc1ccco1)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 13127927 ZJQYGLMPRHJXGK-UHFFFAOYSA-N 427.530 2.507 0 40 IFAB CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)n1C[C@@H]1CCCO1 13322492 WSXXPZYPHVRMLO-LBPRGKRZSA-N 426.340 2.908 0 40 IFAB Cc1cc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1C 13499222 WQCLNTHSUYWVOI-FQEVSTJZSA-N 442.537 2.751 0 40 IFAB COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc(OC)c1OC 15137041 TZPIEILHFHKYID-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB CSCC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 16026200 OSHQNXPZTMFVRG-NRFANRHFSA-N 437.565 2.749 0 40 IFAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)CCCN1CCCC1=O)cn2C 19287120 GNOSGDQFKBMAGR-UHFFFAOYSA-N 435.528 2.971 0 40 IFAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4ccncc4)C3)[nH]c(=O)c2C1 19342784 BEDCHVQRIPABLT-KRWDZBQOSA-N 435.553 2.805 0 40 IFAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 19522988 GAGUPGUVPVDSQT-JOCHJYFZSA-N 448.502 2.686 0 40 IFAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)c2ccc(C)[nH]c2=O)cc1 19526288 BWPCVOWBVDOJHP-UHFFFAOYSA-N 433.512 2.861 0 40 IFAB CN(C)c1ccc(NC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccccc4)c32)cc1 19584999 XNEUIZPIGYGOMQ-UHFFFAOYSA-N 429.484 2.579 0 40 IFAB COc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)CCCN3C(=O)CNC3=O)nc2)cc1 19688419 BHXMDAHJDZNGSD-NRFANRHFSA-N 436.512 2.677 0 40 IFAB COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccc(OC)c3OC)C2)cc1 20052131 YNALFFOFKCPBSZ-NRFANRHFSA-N 439.512 2.722 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C)CC2)cc1OC 22246617 CFESIZBIGUAXNK-HXUWFJFHSA-N 446.569 2.852 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCCC2)cc1OC 22246638 TVRKWFCDUDMURU-FQEVSTJZSA-N 446.569 2.996 0 40 IFAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 23053405 CMVKEGDCJYHCDW-UHFFFAOYSA-N 445.501 2.665 0 40 IFAB CCCN1C(=O)C(=O)N(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)C1=O 23842286 HDYJTOUQNSXRME-NRFANRHFSA-N 437.496 2.810 0 40 IFAB COc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1Br 23863749 LNSDMZJNSLAILV-UHFFFAOYSA-N 447.395 2.771 0 40 IFAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cccc(Nc2ncccn2)c1 24871144 GCIFZBSZHHKIAZ-UHFFFAOYSA-N 432.484 2.810 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 25129185 QXYFNJORAUMKKY-UHFFFAOYSA-N 443.573 2.725 0 40 IFAB O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 27664419 DDDPLLOHRYKKSO-RKVPGOIHSA-N 426.322 2.658 0 40 IFAB COc1cc(N2C[C@H](C(=O)/N=c3/sc4ccccc4n3C)CC2=O)cc(OC)c1OC 30808812 MFCZOMJPTMBRJI-IKYLFJRQSA-N 441.509 2.746 0 40 IFAB O=C(Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1)N[C@H]1CCS(=O)(=O)C1 31813417 FPXUHFMGQJZFBI-AWEZNQCLSA-N 430.511 2.857 0 40 IFAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1-n1cnnn1 32095626 FBXMUPRMYAMEKT-UHFFFAOYSA-N 441.333 2.819 0 40 IFAB C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32672002 TZLNAPOGZFNPON-CQSZACIVSA-N 430.482 2.613 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1nc(C)cs1)n2C 32882216 YVQPSYPPULBOIO-UHFFFAOYSA-N 449.602 2.618 0 40 IFAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCCNc1cc(-n2ccnc2C)ncn1 35598109 WKTRSNOWSRTWJO-UHFFFAOYSA-N 444.561 2.667 0 40 IFAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 40390665 KZORVGXKHXXASI-IBGZPJMESA-N 443.507 2.960 0 40 IFAB O=C(c1ccccc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 41077465 IEUDEXCPROFXMM-UHFFFAOYSA-N 449.511 2.915 0 40 IFAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccc3c(c1)OCCO3)CN(Cc1ccccc1)CC2 49400833 CWXZIGCWYJZEDG-UHFFFAOYSA-N 446.507 2.520 0 40 IFAB CCOc1ccc(OCCNC(=O)CN2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 58018043 WZJPOTOQWQIDFR-SFHVURJKSA-N 435.565 2.960 0 40 IFAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 71186436 GASWUZURCIAPIN-RMKNXTFCSA-N 439.516 2.670 0 40 IFAB Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 71889579 UVFANNKCAIKSRN-UHFFFAOYSA-N 438.454 2.734 0 40 IFAB CC(=O)N1CCC(CCNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 84718302 HRCIZZAUNKXHNQ-UHFFFAOYSA-N 432.524 2.823 0 40 IFAB O=C(c1ccc(-n2cncn2)nn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 96097839 QOVYTTIAWAXTGT-UHFFFAOYSA-N 425.496 2.605 0 40 IFAB COc1cc([C@@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)ccc1OCCC(C)C 104279766 ZZXJNMJWMJUKSF-OAQYLSRUSA-N 441.532 2.646 0 40 IFAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 218094325 AYXRSYVHBPGNIT-RBUKOAKNSA-N 432.494 2.748 0 40 IFAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C(C)C 223339779 VFJKBAXMHWKLPM-IAGOWNOFSA-N 425.595 2.823 0 40 IFAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2Cl)s1 224561637 VAUQTGNUAVHTCR-UHFFFAOYSA-N 434.996 2.998 0 40 IFAB CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 225485467 TUVJZMQQCJHFHG-GOSISDBHSA-N 425.528 2.615 0 40 IFAB CCOCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 306138616 SCFYLOSIUIALPW-GCJKJVERSA-N 445.589 2.610 0 40 IFAB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1ccc(O)c(OCC)c1)N=2 408733069 VOYQCBHLDNSURX-VZZQTLFRSA-N 430.526 2.763 0 40 IFAB COC(=O)[C@H](CNC(=O)[C@](C)(O)c1ccc(F)cc1)Oc1ccc(Br)cc1 1627224735 UDKAVTDUIRWPRT-QFBILLFUSA-N 440.265 2.533 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775973254 KYHFOYYIWSBNEX-UHFFFAOYSA-N 429.402 2.990 0 40 IFAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CCc2ccccc21 3544695 FTVXREYPQXZENB-QGZVFWFLSA-N 442.537 2.996 0 40 IFAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1 4039347 ZWVFLZNSCANANB-UHFFFAOYSA-N 435.459 2.635 0 40 IFAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(N)cc3)n2C)cc1OC 4124991 NVBXURWKHDVQCN-UHFFFAOYSA-N 427.530 2.533 0 40 IFAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc(F)cc3)c2)C[C@@H](C)O1 9141156 JDKJZIBXOHSNAX-HUUCEWRRSA-N 435.473 2.663 0 40 IFAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 9514388 LTHJTSYEWGBUKB-UHFFFAOYSA-N 436.512 2.744 0 40 IFAB COc1ccccc1N1CCn2c1nc1c2c(=O)n(CCCc2ccccc2)c(=O)n1C 10249878 PFNPEEOBZJLWKS-UHFFFAOYSA-N 431.496 2.690 0 40 IFAB COc1ccc(CNC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10334954 LFTYFBODFQGUSV-CYBMUJFWSA-N 426.922 2.828 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(Cl)ccc2oc1=O 10386842 DLRUXIGYVMEZRG-UHFFFAOYSA-N 448.884 2.720 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 10454739 PGXWMXNSVUNIBG-SNVBAGLBSA-N 446.403 2.545 0 40 IFAB COC(=O)CCNC(=S)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 12507930 WAKHVNRFBUVXJK-UHFFFAOYSA-N 437.543 2.654 0 40 IFAB Cc1nnc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1Cc1ccccc1 12600982 GQSVTHRYHALCLY-UHFFFAOYSA-N 441.582 2.773 0 40 IFAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12693811 DIYVGDJGURQVLF-AWEZNQCLSA-N 426.897 2.780 0 40 IFAB CN(C)[C@@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 12922772 AMPYGDDROPIKRH-JOCHJYFZSA-N 443.613 2.693 0 40 IFAB COC(=O)c1sc2nc(CN(C)Cc3ccc(OC)c(OC)c3OC)[nH]c(=O)c2c1C 13135223 KUWFUKOHTGNOEJ-UHFFFAOYSA-N 447.513 2.737 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13427359 PRTCGQRTMLEBJQ-MDZRGWNJSA-N 438.358 2.528 0 40 IFAB Cc1c(NC(=O)CSc2nnc(-c3cnccn3)s2)c(=O)n(-c2ccccc2)n1C 13495698 JENAAGTXYCQBRP-UHFFFAOYSA-N 439.526 2.524 0 40 IFAB CCc1nnc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)s1 13567147 FOCJLYMKXAGYFH-SNVBAGLBSA-N 449.537 2.590 0 40 IFAB Cn1ncc2c(N3CCN(Cn4nc(-c5ccc(Cl)cc5)oc4=S)CC3)ncnc21 14242297 HEICFAPWEBSQAK-UHFFFAOYSA-N 442.936 2.982 0 40 IFAB CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 14255095 OXWMTMXPMNSDSY-KRWDZBQOSA-N 432.542 2.640 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1F 15588442 MTAYEGVBVNTKMI-UHFFFAOYSA-N 428.869 2.761 0 40 IFAB CCOC(=O)c1sc2nc(CSc3nnc(C(F)(F)F)n3C)[nH]c(=O)c2c1C 16684492 HJWAGJPDPGORJV-UHFFFAOYSA-N 433.437 2.909 0 40 IFAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)COc2ccccc2)CCO1 19591831 HCZHOXDLCLVJOM-SANMLTNESA-N 445.519 2.714 0 40 IFAB Cc1nc2ccccc2c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 19620905 ZGLGDSDMKOUOIW-CQSZACIVSA-N 427.482 2.683 0 40 IFAB CC(=O)N1CCC(c2nc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc(N(C)C)n2)CC1 19697474 ZLCLIGUHLBQUBT-QGZVFWFLSA-N 425.508 2.928 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@H]3CCCN(C(=O)c4cnccn4)C3)nc2C)cc1 19765113 ACMHROWSKMSOOT-INIZCTEOSA-N 432.484 2.856 0 40 IFAB COc1cc2c(cc1OC)[C@@H](CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCC2 19933903 CBVGGFVGOHDVCK-XMMPIXPASA-N 426.513 2.864 0 40 IFAB O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(Cc2cccs2)CC1 22201120 YBHNCEYOOKNSHZ-UHFFFAOYSA-N 439.990 2.800 0 40 IFAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 22362717 LKDLDUNYMRVVGQ-QGZVFWFLSA-N 448.541 2.888 0 40 IFAB CC(C)[C@H](NC(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)c1ccc(F)cc1 24760866 ZZXGUYDXZRDROO-FHAGJXEFSA-N 446.611 2.761 0 40 IFAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 26163573 NWTPRWPZZSZLIS-OAQYLSRUSA-N 430.844 2.893 0 40 IFAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CCn1c(=O)oc2ccccc21 26907983 NWJRNRRJTZMZHR-JOCHJYFZSA-N 431.496 2.570 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CC1 31192091 BAWGSHFJGIEMDW-UHFFFAOYSA-N 425.489 2.834 0 40 IFAB C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)n1ccnc1 40145087 HIPLQJCWNPIKSR-CQSZACIVSA-N 428.470 2.655 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c(C)c1 44912212 PFMZTSWWIZEAQR-LJQANCHMSA-N 432.498 2.728 0 40 IFAB CC(C)CCC[C@@H](C)NC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O 44921387 FTEHIELAEPTDOH-HXUWFJFHSA-N 425.577 2.901 0 40 IFAB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccncc4)c(=O)n32)c1 59143990 PDYHPNBIOPMYRX-SRKIZSPNSA-N 449.532 2.590 0 40 IFAB COc1cc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc(OC)c1OC 71769060 FVGGOUFNYDBPHD-UHFFFAOYSA-N 429.448 2.858 0 40 IFAB CCn1nc(CC(=O)N2CCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)c2ccccc2c1=O 100138749 YDXGJOQOMJODFO-FQEVSTJZSA-N 446.511 2.688 0 40 IFAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CCN(CCOc2ccccc2)CC1 101373418 LSVXSJVRRSHRMY-UHFFFAOYSA-N 441.572 2.918 0 40 IFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 208171516 HKBYEHNTKISRIN-DLBZAZTESA-N 446.503 2.858 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccccc1Cl 219660987 JJWSEPVBSAOVAM-UHFFFAOYSA-N 438.958 2.924 0 40 IFAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3nc(-c4ccc(OC)cc4)no3)ccc21 225699704 QKPNIAKKSVENLF-UHFFFAOYSA-N 446.510 2.620 0 40 IFAB CCC(CC)C(=O)N1[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N[C@H]2CCCC[C@H]21 250740468 NTJMUTZDJGUNKR-RCCFBDPRSA-N 429.517 2.818 0 40 IFAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1 253403075 PHPUGPWHSFSPGW-LJQANCHMSA-N 436.580 2.726 0 40 IFAB CC(C)(C)c1ccc(OCC(=O)O)c(CN2CCC[C@@H]3[C@H]2CCCCN3CC(N)=O)c1 257288588 PUWDGCUYMREAAU-WOJBJXKFSA-N 431.577 2.752 0 40 IFAB CC[C@@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OC 408549421 SMYIJAYKTJSMFQ-SRMXYGTFSA-N 441.278 2.701 0 40 IFAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408667974 SOFPBTFZVJNXJW-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB NC(=O)CC1CCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 532921723 JBNHQCDARLAKAH-UHFFFAOYSA-N 445.567 2.802 0 40 IFAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 552960321 MJAYHIJUKPPSQU-RCCFBDPRSA-N 435.509 2.506 0 40 IFAB O=C(NCCCc1ccc(Cl)cc1Cl)C(=O)N1CCC(Oc2cnccn2)CC1 565797370 QVYJJNSCAGKIKA-UHFFFAOYSA-N 437.327 2.902 0 40 IFAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)c2ccc(-n4nc(C)cc4C)nn2)C3)nc1 1888922039 SGEQCGUKACPZBN-JPYJTQIMSA-N 433.516 2.699 0 40 IFAB Cc1nc2ccccc2n1CCCC(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1 2037880163 KTWIALCFZYZMQP-QHCPKHFHSA-N 425.508 2.807 0 40 IFAB Cc1ccc(OC[C@]2(O)COCCN(Cc3cccc(OCCn4cccn4)c3)C2)cc1 2037931672 HNVVZXFXDJMUNW-RUZDIDTESA-N 437.540 2.913 0 40 IFAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 720863 RMHWWLOVBNOWCC-INIZCTEOSA-N 448.907 2.970 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1 1464730 WYZSCJCBXZCLKJ-UHFFFAOYSA-N 445.501 2.907 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1ccccc1C(=O)OC 2221576 NVQOFBWOEPCTHU-UHFFFAOYSA-N 432.454 2.941 0 40 IFAB CC(C)C[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O 8924862 AMDKBGAYUPCYEF-FOIQADDNSA-N 442.537 2.978 0 40 IFAB CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C)c(F)c1)c(=O)n2Cc1ccccc1 9129108 RZOLFYJVKKTJRA-UHFFFAOYSA-N 435.459 2.514 0 40 IFAB O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9134086 ZLSZFBOHRMTNPK-KRWDZBQOSA-N 427.526 2.853 0 40 IFAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9284424 MFJMEMFKFFBBMA-UHFFFAOYSA-N 449.602 2.910 0 40 IFAB O=C(Cc1ccccc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9491924 UMCCLIFIWJEGMZ-UHFFFAOYSA-N 447.532 2.628 0 40 IFAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12 9787233 ZXDAXYPFUFGUFD-AWEZNQCLSA-N 439.493 2.801 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O 10166429 WWDDDFRFVOGNSG-JTQLQIEISA-N 430.288 2.974 0 40 IFAB Cc1cnc2c(c1SCC(=O)Nc1cccc(C(F)(F)F)c1)c(=O)n(C)c(=O)n2C 10216319 QJGGTCZVDSZAGE-UHFFFAOYSA-N 438.431 2.690 0 40 IFAB CCN1CCN(c2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)c(C)c2)CC1 12522697 BHQYIXHFEWSUKV-KRWDZBQOSA-N 448.564 2.582 0 40 IFAB CNc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)s1 12764273 KUWFTNITGUTNFB-MRVPVSSYSA-N 435.984 2.603 0 40 IFAB Cc1c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cnn1-c1ccccc1F 12874865 WYIZAQHRWSIYEX-UHFFFAOYSA-N 448.545 2.964 0 40 IFAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 12928718 ZUGMYNGIPOYBRZ-HNNXBMFYSA-N 438.933 2.599 0 40 IFAB COc1ccc(C(=O)NCc2nnc(S[C@H](C)C(=O)NC3CCCCC3)n2C)cc1 13956404 AUXYIQCVSORMCD-CQSZACIVSA-N 431.562 2.683 0 40 IFAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)C1 14129094 WSSJQJQCQNZLHL-CYBMUJFWSA-N 449.964 2.661 0 40 IFAB CCOc1ccc(C(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC 15565837 YBQKHFMERJEHSS-UHFFFAOYSA-N 435.498 2.920 0 40 IFAB COc1ccc(N(CC(=O)NCC(F)(F)F)S(=O)(=O)c2ccc(F)cc2F)cc1 16047099 SFAAUTKEPCUJGS-UHFFFAOYSA-N 438.374 2.847 0 40 IFAB C[C@@H]1Cc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O 17363026 ZMRVFAUPDUPBCG-QGZVFWFLSA-N 427.570 2.792 0 40 IFAB Cc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccc(F)cc1 18047228 HBQYJCAPOVHXMI-FQEVSTJZSA-N 427.455 2.657 0 40 IFAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c2c1C 19234227 QKKZQLVMXMBOMC-QFIPXVFZSA-N 448.502 2.740 0 40 IFAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](c2nc(O)c3c(n2)CN(C2CCCC2)CC3)C1 19345477 KWTKPMADOQWCAO-MRXNPFEDSA-N 436.512 2.841 0 40 IFAB CCCN1C(=O)N[C@@H](CCC(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)C1=O 19502549 KSMRRVZWZLATQB-INIZCTEOSA-N 431.562 2.829 0 40 IFAB Cc1ncccc1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)CC1 19582837 GXVWONTVTRJOPB-UHFFFAOYSA-N 434.544 2.925 0 40 IFAB COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 19863376 WGAPBHJSAAOQDM-QGZVFWFLSA-N 434.489 2.793 0 40 IFAB COc1ccccc1CNC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935441 VGAPPJMDBDLXJS-UHFFFAOYSA-N 438.933 2.828 0 40 IFAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc3c(c2)OCCO3)n2c1nc1ccccc12 20103446 KZWPWEAOTUJPNU-SFHVURJKSA-N 436.468 2.761 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(F)cc1 20328444 BOCRZCSYMIZTCU-LJQANCHMSA-N 432.473 2.779 0 40 IFAB Cn1nc(C(=O)Nc2nc3ccccc3n2C)cc1C(=O)Nc1nc2ccccc2n1C 20617463 LAECPHGIKPBVNV-UHFFFAOYSA-N 428.456 2.698 0 40 IFAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)N2CCN(C)CC2)cc1 22795639 MVWFESRPYJMWEO-NRFANRHFSA-N 444.963 2.700 0 40 IFAB CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCN(CC)CC3)c(O)n2n1 22854483 ZHDCONMHXUMGMZ-SFHVURJKSA-N 431.562 2.803 0 40 IFAB NC(=O)C1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]1c1ccccc1O 23409237 LNLNNOKYZLOYAG-BJLQDIEVSA-N 445.500 2.590 0 40 IFAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 24361465 NZUZUPITBFLEMY-UHFFFAOYSA-N 446.573 2.650 0 40 IFAB COc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 25451395 ZMDMIQFWUFIYQN-UHFFFAOYSA-N 426.922 2.782 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 30163031 QEIXEBAHMKNWTP-UHFFFAOYSA-N 442.541 2.798 0 40 IFAB O=C(NCCCn1cccn1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 30171527 VEBYHSIPTPDXSU-UHFFFAOYSA-N 444.479 2.509 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 31065137 FECMZQNJZDHQFJ-ZDUSSCGKSA-N 432.860 2.892 0 40 IFAB COCCn1c(SCC(=O)N2CCC(C(=O)OC)CC2)nc2cc(Cl)ccc21 32881465 GVIWSWJMXRZDJK-UHFFFAOYSA-N 425.938 2.840 0 40 IFAB O=C(CCC(=O)N1CCOCC1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 40108141 FXHFOGHOJFDJCY-FQEVSTJZSA-N 427.570 2.603 0 40 IFAB Cc1ccccc1Cn1nnc2c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)cnc21 40477207 ZDOSVSUEBLWTFG-UHFFFAOYSA-N 426.839 2.776 0 40 IFAB O=C(COC(=O)c1[nH]c2ccc(Br)cc2c1Cl)N[C@H]1CCCCNC1=O 61469072 NGYUEHRBDFGMNR-LBPRGKRZSA-N 442.697 2.526 0 40 IFAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)c3)n2)c1 67289614 WAWYHXZSNBQZBE-UHFFFAOYSA-N 444.447 2.919 0 40 IFAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC1(O)CCS(=O)(=O)CC1 72304361 GJXLRNIXWUYGLX-UHFFFAOYSA-N 439.537 2.517 0 40 IFAB COc1ccc(NC(=O)[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1Cl 72403605 LXNMOJGVFOAEKK-SFHVURJKSA-N 446.939 2.634 0 40 IFAB O=C(Nc1cc(Br)ccc1-n1cccn1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 78719780 QNTAVIIIKYIAJP-SNVBAGLBSA-N 431.212 2.984 0 40 IFAB Cn1c(-c2ccccn2)nn(CCNC(=O)C2c3ccccc3Oc3ccccc32)c1=O 90591040 QCAWGQVRCNVVEB-UHFFFAOYSA-N 427.464 2.698 0 40 IFAB CO[C@H]1CCN(c2cc(C(F)(F)F)nc3ncnn23)[C@@H](CNC(=O)OC(C)(C)C)C1 96005723 LPDJPVGLTUFRRF-NEPJUHHUSA-N 430.431 2.652 0 40 IFAB CCN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(=O)c2cccs2)CC3)C1=O 96036444 LCOFATRCSUBKJP-QFIPXVFZSA-N 425.558 2.519 0 40 IFAB O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96123994 KEOQVTHHXXFBLV-QGZVFWFLSA-N 446.540 2.714 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186469 VMBYJNSRPKZUTG-REHUZNOOSA-N 430.520 2.940 0 40 IFAB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]4C2=O)no1 101444746 YPEQOEBOCSTMRV-DEWZPKMOSA-N 435.358 2.807 0 40 IFAB COc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1I 113941832 QAMZPJKDFSSFAR-UHFFFAOYSA-N 433.267 2.787 0 40 IFAB COc1ccc(CCNc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2C(=O)O)cc1 217633110 NFMVDVWCGAQBHG-KRWDZBQOSA-N 434.514 2.505 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 223046226 XVDKNOCABIDLLB-RMKNXTFCSA-N 441.597 2.727 0 40 IFAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(OC)c(OC)c1 223689533 HJQCEVLDNLVACM-GFCCVEGCSA-N 442.563 2.970 0 40 IFAB CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)ccc1OC 223851949 ORGUKBSGRJSZIH-UHFFFAOYSA-N 436.530 2.719 0 40 IFAB COc1cc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)ccc1OC(C)C 224806901 FOZQBFKYIUQTKC-UHFFFAOYSA-N 436.530 2.573 0 40 IFAB COc1ccccc1N(CCCC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 225012635 WLGYRPJAMGLCNI-UHFFFAOYSA-N 447.557 2.717 0 40 IFAB CO[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)C1 248131381 KSKKQIUFWYGUNI-QKLQHJQFSA-N 442.560 2.736 0 40 IFAB O=C(c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1)N1CCCCC1 257295224 QXMXPQJHXSEIMN-AWEZNQCLSA-N 438.500 2.882 0 40 IFAB CCOc1ncccc1C(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O 257325003 WRBMBCBOKJBMJD-WRALFONMSA-N 439.556 2.930 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)N1CCCC1 408603426 JUIICIZKOIJHAR-UHFFFAOYSA-N 431.533 2.881 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408651959 BWOQYLXCBPZCFZ-HPSDOGTCSA-N 439.295 2.895 0 40 IFAB CCn1c(C)nc2cc(C(=O)N3C[C@H](CC(N)=O)[C@H](OC(=O)c4ccccc4)C3)ccc21 643587110 VLOGCYGYDFSUIL-GHTZIAJQSA-N 434.496 2.538 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4cccc(-n5cccn5)c4)CC3)n2)n1 1775969896 QWDJNBMBEAHWPO-UHFFFAOYSA-N 443.511 2.709 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889224546 ZVWSZMNKACVLPY-YOEHRIQHSA-N 439.459 2.935 0 40 IFAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccc(C)cc4)C3)C2)c1 2056226572 VDRBWBFTFMBVDG-LADGPHEKSA-N 428.504 2.819 0 40 IFAB FC(F)(F)c1cccc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)n1 2086865964 CYCMJIPQGRMSPB-AWEZNQCLSA-N 433.438 2.746 0 40 IFAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)cc1 932205 XIPZHAJKMBMWGB-UHFFFAOYSA-N 442.501 2.759 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC3CCCCC3)[C@H]4C2=O)c1 1346645 XICHVSHOOMAYPQ-TVPUMLRDSA-N 438.524 2.582 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)c2ccccc2C1=O 3240011 JDLTVVQJISNBGP-LLVKDONJSA-N 431.242 2.616 0 40 IFAB CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccccc1Cl 6544913 MEEYKWWKAAHSRV-ZWNOBZJWSA-N 436.917 2.909 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccccc1 8994550 MCCCOQGZFYLMJO-UHFFFAOYSA-N 425.510 2.910 0 40 IFAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)Nc1ccccc1C(F)(F)F 9412627 IKGZHXNDVGBQSO-UHFFFAOYSA-N 428.374 2.694 0 40 IFAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2nc(-c3cccs3)no2)C1=O 9446159 BESDFVCIGTTXDP-OAQYLSRUSA-N 439.497 2.705 0 40 IFAB COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)cc1 9519962 PAKZIIQSNBKKHO-LJQANCHMSA-N 436.512 2.535 0 40 IFAB COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)NC(C)(C)C)n2C)C(C)C)cc1 9615121 GFKFWOVAGRTRML-QGZVFWFLSA-N 433.578 2.958 0 40 IFAB C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C1 9692314 BCOAXJXRPNPEAS-HUUCEWRRSA-N 429.952 2.613 0 40 IFAB O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9730363 LYRZQGBKSHDCOJ-HNNXBMFYSA-N 433.555 2.914 0 40 IFAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3nc(C)cs3)nc1=O)CCC2 9746212 ZHPIFILCQGUSQS-UHFFFAOYSA-N 435.619 2.960 0 40 IFAB COc1ccc(NC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1OC 10131828 MTCPBDNBPHKTLN-UHFFFAOYSA-N 425.441 2.583 0 40 IFAB COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2ncccn2)cc1=O 10254955 ZEHHITDMYCEMST-UHFFFAOYSA-N 439.497 2.536 0 40 IFAB COC(=O)C1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 10541927 ZIMVMVODVQKPCH-UHFFFAOYSA-N 444.553 2.910 0 40 IFAB O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCc1ccc(Cl)cc1 12086598 BPKGEVLCYZNUIA-HSZRJFAPSA-N 441.915 2.530 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)c1 12197453 ZTFNHTQMGXIWBS-QGZVFWFLSA-N 434.514 2.548 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)CCC2 12208159 JVHQTCXUZSUBRD-NRFANRHFSA-N 430.526 2.888 0 40 IFAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc(Cc2ccc(Cl)cc2)c1=O 12347714 NOWMHTGTQLYMBM-UHFFFAOYSA-N 436.324 2.981 0 40 IFAB COCCNC(=O)Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O 12613982 GSKQIQFAYWNJSX-UHFFFAOYSA-N 446.598 2.935 0 40 IFAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)cc1 12939105 JRJQPQGVSUDJTL-UHFFFAOYSA-N 436.917 2.840 0 40 IFAB COC(=O)c1c(NC(=O)COc2cccc(-n3cnnn3)c2)sc2c1CC[C@H](C)C2 12989169 BBSFWCAFLBZGEE-LBPRGKRZSA-N 427.486 2.653 0 40 IFAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc2c(c1)OCO2 13573110 RUYBZGDMIYFSPF-UONOGXRCSA-N 443.550 2.653 0 40 IFAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14694037 LOIDXYOODAITNB-UHFFFAOYSA-N 429.473 2.936 0 40 IFAB Cc1ccc2nc(C)c(Cc3nnc(SCC(=O)Nc4ccccc4)n3C)c(=O)n2c1 15859181 BIPMDFOVUALDCF-UHFFFAOYSA-N 434.525 2.761 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)cc1 19022590 UUUGXXPCPIFSOZ-UTKZUKDTSA-N 445.516 2.709 0 40 IFAB CCN(CC)CCCNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 19526371 AOCPGBLNRNGCOP-MHECFPHRSA-N 429.561 2.640 0 40 IFAB CCCc1cc(C(=O)N2Cc3cn(C)nc3[C@@H](C(=O)NCCc3ccc(F)cc3)C2)no1 19701247 FEBIVHPOWSSKRS-IBGZPJMESA-N 439.491 2.598 0 40 IFAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)c(C)n1 19704317 PTEFHDQOKFTSKE-OAHLLOKOSA-N 433.509 2.831 0 40 IFAB Cc1cccc2[nH]c(C(=O)N3CCC(c4ccc(C(=O)N5CCOCC5)c(N)n4)CC3)cc12 19765992 RYMQWRRBUHUFGO-UHFFFAOYSA-N 447.539 2.946 0 40 IFAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O 20110443 SXEBJCZLKVZDQL-UHFFFAOYSA-N 432.933 2.917 0 40 IFAB C[C@@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 20452326 SJBHCQMSUPJXFI-HNNXBMFYSA-N 432.933 2.997 0 40 IFAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccn2)CC1)Nc1ccsc1 20503902 GOVXHNZQNSCERO-IRFCIJBXSA-N 440.617 2.797 0 40 IFAB biogenic,in-vitro COc1ccc(-c2nnc(SCC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)n2N)cc1 21283155 PHXIGASNHDQQBL-LLVKDONJSA-N 429.468 2.949 0 40 IFAB O=C(NCCCNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 22471077 VMRVWMQQRPXUQU-UHFFFAOYSA-N 440.503 2.991 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1 23078596 KZCSRUFLBFALCA-UHFFFAOYSA-N 449.504 2.977 0 40 IFAB Cc1occc1-c1nnc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)n1N 23138515 HYLQJRYQCIHNRM-UHFFFAOYSA-N 445.505 2.773 0 40 IFAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)[C@@H]1CCCO1 23196289 BXQDYXQNBRSVKT-BEFAXECRSA-N 446.525 2.946 0 40 IFAB Cc1nc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)sc1-c1nnc(S)n1C 24764614 MWXBGVWZFAJVQU-CYBMUJFWSA-N 444.542 2.906 0 40 IFAB COc1cc2c(cc1/C=C/C(=O)N1CCN(CC(=O)N3CCCCCC3)CC1)O[C@@H](C)C2 24768628 HRHKVBDYNXXBFL-UCFODXPJSA-N 441.572 2.579 0 40 IFAB COC(=O)c1cc(NCC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)cc(C(=O)OC)c1 25626002 CWEYDDUWUHQRIT-NRFANRHFSA-N 426.469 2.948 0 40 IFAB O=C(NCc1ccnc(N2CCOCC2)c1)c1cnn(-c2ccccc2F)c1-n1cccc1 25760715 CCGQMWXBBKJNQY-UHFFFAOYSA-N 446.486 2.964 0 40 IFAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c(OC)c1 29067731 VHZMRKBOVCRCCD-KSSFIOAISA-N 436.505 2.873 0 40 IFAB COc1ccc(C(=O)N2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 29119136 BKGJNGAULXBZHI-UHFFFAOYSA-N 431.533 2.627 0 40 IFAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 30014205 SKCQGCWEYBVQOC-FQEVSTJZSA-N 442.475 2.742 0 40 IFAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)ccc21 30256787 MBSUWYIOXDUCDY-UHFFFAOYSA-N 437.475 2.854 0 40 IFAB CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 32640017 NTKFEJVEHRPUEZ-MOPGFXCFSA-N 429.567 2.963 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)C2)c1 35128757 IXNRSQXRJHZUFQ-QGZVFWFLSA-N 446.525 2.946 0 40 IFAB Cc1nc2n(c(=O)c1C)CN(CCN1CCOCC1)CN2c1cc(Cl)cc(Cl)c1 38830214 DRDWTBYNYXIEHJ-UHFFFAOYSA-N 438.359 2.868 0 40 IFAB CCc1c(C(=O)N2CCCN(Cc3cccs3)CC2)cnn1-c1ccc(OC)nn1 40089150 MCYLWHYGYXFRHC-UHFFFAOYSA-N 426.546 2.643 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cc1 58079531 VMVHCVRPLZBFPS-UHFFFAOYSA-N 426.498 2.582 0 40 IFAB Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1C 58180483 YMLJJKUNGUHJNS-SFHVURJKSA-N 426.536 2.802 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)N[C@@H](C)c4ccc(OC)cc4)c(=O)n3c(C)n2)cc1 67239721 IQABJHOMSLOPHA-HNNXBMFYSA-N 447.495 2.761 0 40 IFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1=O 67320321 NLQMQWLUSIJONC-UHFFFAOYSA-N 432.249 2.848 0 40 IFAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)NCc3ccc(F)cc3)C3=C2C(=O)OC3)cc1 71326865 POFWVTZYCZVICQ-FQEVSTJZSA-N 441.484 2.741 0 40 IFAB Cc1nn([C@H](C)CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338883 JZLBQYJTFKADCW-JLCFBVMHSA-N 445.589 2.728 0 40 IFAB O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCC[C@@H](NCc2ccccc2)C1 79096481 PYDPXGHPUAXYGQ-GOSISDBHSA-N 433.599 2.927 0 40 IFAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 95997692 FMXVLKCUFAATLU-IAGOWNOFSA-N 425.470 2.559 0 40 IFAB C[C@@H](CNc1nc(NC[C@@H](C)N2CCOCC2)nc2ccc(Cl)cc12)N1CCOCC1 96011506 QEOBSEGABWBLTI-DLBZAZTESA-N 448.999 2.548 0 40 IFAB CCCC(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCC5)C4)nn3c(O)c2C1 100234490 SFUGLFXUAXKVFW-MRXNPFEDSA-N 425.533 2.626 0 40 IFAB CCCCn1c(=S)[nH]c(O)c([C@@H]2c3cc(OC)c(OC)cc3CCN2C(C)=O)c1=O 101037691 MXGMGMZJZGJTNK-SFHVURJKSA-N 433.530 2.923 0 40 IFAB CCOc1cc(Br)c(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC 137478669 IENSPAPYFICTAY-BXUZGUMPSA-N 435.365 2.900 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222458152 RECCAZVAPYSOJD-LJQANCHMSA-N 445.585 2.541 0 40 IFAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1OC 223169154 RZVFKEOUUJESDP-HNNXBMFYSA-N 432.542 2.836 0 40 IFAB CN([C@@H](C(=O)NCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1)S(C)(=O)=O 223881321 ZFGCVRBCIBYUMF-QGZVFWFLSA-N 434.905 2.639 0 40 IFAB COc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224423975 KGJMTWOTLZOREC-UHFFFAOYSA-N 446.569 2.998 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1ccc(F)cc1F 224812977 XDZCUOLRXRQNPW-UHFFFAOYSA-N 430.448 2.845 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(F)cc1F 225696078 WQCNIEQIGZZLLW-UHFFFAOYSA-N 440.468 2.566 0 40 IFAB CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 225776928 OXBVXZQJXKLLNH-SFHVURJKSA-N 429.586 2.985 0 40 IFAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCOCC1 257203698 ARGJIALYVQIMIS-TYUWDEHNSA-N 439.600 2.710 0 40 IFAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 257243689 IIDMILQZUFCIFJ-FHWLQOOXSA-N 442.585 2.980 0 40 IFAB CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCC(=O)N1CCOCC1 408577515 SWVNADLSCQAZTC-UHFFFAOYSA-N 444.553 2.797 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCc1ccccc1)Cc1ccc(Br)cc1 408613807 VSGRUUCSWCAFMG-UHFFFAOYSA-N 425.348 2.570 0 40 IFAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 408713680 LIYWQVPVWVGEJE-INIZCTEOSA-N 436.505 2.560 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@H]1c1cccc(OC)c1 408876331 OPUWQSAMXCNNDX-PHJXOXRPSA-N 449.532 2.828 0 40 IFAB CN1c2ccccc2N(C2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)S1(=O)=O 575414184 KGXFALZVNOWUEQ-UHFFFAOYSA-N 436.484 2.569 0 40 IFAB CC(=O)N1CCCN(C(C)C)CCN(C(=O)CCc2cnn(C)c2)Cc2ccc(F)cc21 643556360 LGYALMOCXTVONI-UHFFFAOYSA-N 443.567 2.988 0 40 IFAB Cc1cc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ccc1-n1cnnn1 681008344 DKDBGENMLMNFDD-INIZCTEOSA-N 444.417 2.520 0 40 IFAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)C(=O)Nc1cccc(N2CCCC2=O)c1 1775966701 UXEHDHFFFRIAMW-INIZCTEOSA-N 439.493 2.923 0 40 IFAB CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NC3CCCCC3)C(=O)N12 2967975 YNPXAMJZDOQDLI-QGZVFWFLSA-N 442.541 2.780 0 40 IFAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NCc1ccccc1 3286407 WWSJPUKRVXDROY-UHFFFAOYSA-N 442.471 2.999 0 40 IFAB COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 3434626 WYJOJYYJZGKZFD-UHFFFAOYSA-N 429.420 2.651 0 40 IFAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 4034407 XWBUNWXAJLTLBK-UHFFFAOYSA-N 449.515 2.791 0 40 IFAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)C[C@@H]1CCCO1)Nc1ccccn1 4240850 ZVIJJBLKUWWTNX-IBGZPJMESA-N 430.549 2.647 0 40 IFAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C[C@H]1CCCO1)C(=O)C(=O)NC1CCCC1 4895598 SAUWOMUTCULRKA-WOJBJXKFSA-N 429.561 2.709 0 40 IFAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 8749697 LRWFBKKMDUFHEA-MRXNPFEDSA-N 440.550 2.868 0 40 IFAB COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC 9040705 CTFJZIZPNXTRQL-CYBMUJFWSA-N 443.456 2.616 0 40 IFAB COc1ccc(OC)c(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c1 9095613 AFEQZBJJFOOLAI-INIZCTEOSA-N 427.476 2.545 0 40 IFAB COc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c1 9293028 LSXAJDAWPNQDHS-UHFFFAOYSA-N 431.496 2.722 0 40 IFAB CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c1 9295442 FKKDKCZFUHHNSH-LUDQZLGDSA-N 434.517 2.807 0 40 IFAB O=C(CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(F)c(Cl)c1 9315251 HUAXHJYAVWQLLM-UHFFFAOYSA-N 445.875 2.690 0 40 IFAB COc1cccc(CNC(=O)Cn2ccn3nc(-c4ccc(OC)c(OC)c4)cc3c2=O)c1 9327543 UZMCPHIYPUDBFY-UHFFFAOYSA-N 448.479 2.505 0 40 IFAB O=C(CN1CCCSc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9469601 SNIQJOYUILIMOF-UHFFFAOYSA-N 447.582 2.648 0 40 IFAB COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 9483002 HSKKIFLGHWMHMC-INIZCTEOSA-N 449.511 2.671 0 40 IFAB O=C(OCC(=O)N1CCCCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9491548 DLKHCSBZGJBOAT-UHFFFAOYSA-N 427.478 2.623 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1C 9544418 TTWKTEXIEKMJMM-QGZVFWFLSA-N 436.468 2.635 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@]2(C)CC2(Cl)Cl)NC(=O)N[C@H]1c1ccccc1 9630446 COZCXKDCPHAIDQ-KBXCAEBGSA-N 427.284 2.985 0 40 IFAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9632423 DBUIEPSXPFPIJR-UHFFFAOYSA-N 439.465 2.848 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCCSCc2cccc(C)c2)Oc2ccccc21 10009149 OLJCSHUSZRTPAN-HXUWFJFHSA-N 434.583 2.962 0 40 IFAB COc1ccc(C(=O)CSc2nc(N)c(NC(=O)c3ccc(F)c(F)c3)c(=O)[nH]2)cc1 12140426 YDLMIDSXVDWPEZ-UHFFFAOYSA-N 446.435 2.866 0 40 IFAB Cc1ncsc1C(=O)N1CCC[C@H](Cn2cc(C(=O)NCc3ccccc3F)nn2)C1 12184870 VENAPXDNLWRACE-HNNXBMFYSA-N 442.520 2.665 0 40 IFAB CCCCn1c(N2CCN(C(=O)COCC)CC2)nc2sc3c(c2c1=O)CCCC3 12323186 WCAJLXYHMBZPQU-UHFFFAOYSA-N 432.590 2.822 0 40 IFAB CCOc1ccc(C(=O)NCCNC(=O)c2nc(-c3ccc(Br)o3)no2)cc1 12411725 HYORFFAYHYDZTN-UHFFFAOYSA-N 449.261 2.651 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 12523561 JQUVKYOSMBHZIM-UHFFFAOYSA-N 437.521 2.827 0 40 IFAB COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CC(C)C)cc(OC)c1OC 12541996 KVKPICVRWKMAKJ-UHFFFAOYSA-N 430.505 2.891 0 40 IFAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 12762060 NSMAPVIDERDUFQ-KRWDZBQOSA-N 436.917 2.581 0 40 IFAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 12781292 UBXBMOGMKNDFGN-KDOFPFPSSA-N 441.484 2.730 0 40 IFAB CSCc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 12987567 WWSTYEYJZCSGQJ-UHFFFAOYSA-N 426.585 2.562 0 40 IFAB COc1cccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Br)cc2)c1 13004508 OAEKMDVMYUAMCZ-UHFFFAOYSA-N 448.317 2.675 0 40 IFAB Cc1ccccc1OCCN(C)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 16147524 BEUCVYCHRMZYBM-UHFFFAOYSA-N 441.553 2.693 0 40 IFAB COc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 16516618 GJWGWXAAWURJKZ-UHFFFAOYSA-N 432.542 2.987 0 40 IFAB C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4ncnn4c3=O)ccc2O1 16741758 WAFVIPDMKBZXBT-GNKPEBMXSA-N 427.489 2.875 0 40 IFAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc2c(c1)OCO2 18995243 WGPNERQCZOVUHG-CQSZACIVSA-N 449.463 2.963 0 40 IFAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 19171528 SVNFEXQPQAQWHZ-UHFFFAOYSA-N 430.267 2.510 0 40 IFAB CC1(C)NC(=O)N(CCC(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CC3)CC2)C1=O 19460133 XLIGDGRFDDXVSS-UHFFFAOYSA-N 446.979 2.673 0 40 IFAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 19694131 NSDWETUHUJVREI-INIZCTEOSA-N 444.536 2.651 0 40 IFAB CC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 19706960 GCHVJUPSLOTQIK-OAQYLSRUSA-N 435.572 2.622 0 40 IFAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)CN4CCCCC4)C3)nc2C)cc1 19766238 YHCRFHWGWSFPOY-GOSISDBHSA-N 437.544 2.848 0 40 IFAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 19823757 CGKPEFDPGKZQQX-UHFFFAOYSA-N 430.618 2.954 0 40 IFAB COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)O)c2)cc1Br 20152948 MBAJBPAFKAOMIQ-UHFFFAOYSA-N 425.260 2.988 0 40 IFAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(C(=O)NCCN5CCOCC5)nc4c23)C1 20503832 XUEKJROHCIVPNB-CQSZACIVSA-N 442.589 2.552 0 40 IFAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 21151300 AHMZJXQGLVESHK-UHFFFAOYSA-N 425.468 2.550 0 40 IFAB COC(=O)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 22190561 PIYWBVMHPRGSTJ-HKUYNNGSSA-N 440.496 2.786 0 40 IFAB NC(=O)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 23138328 DJKABYXDHMJSGL-UHFFFAOYSA-N 428.901 2.996 0 40 IFAB CC(C)C[C@@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCOCC1 24923437 HQQFXSTYJQNNSL-FQEVSTJZSA-N 434.540 2.862 0 40 IFAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 28751948 RKGXECVHGCJWCG-WZONZLPQSA-N 436.556 2.660 0 40 IFAB O=C(NCc1ccccc1)NC1(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CCCC1 32907925 XEMSKSMUTHJQNR-UHFFFAOYSA-N 434.540 2.783 0 40 IFAB O=S1(=O)CC[C@H](N(Cc2ccco2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 33047798 IZNSMRYXGVCPIE-LBPRGKRZSA-N 439.433 2.556 0 40 IFAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 34690512 HYGAWIUGUIKDOH-VMPITWQZSA-N 433.467 2.732 0 40 IFAB CCOc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5cccc(C)c5)no4)[C@H]3C2=O)cc1 38652560 PAFHNTUNYWMQQJ-RBUKOAKNSA-N 432.440 2.937 0 40 IFAB O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 44903375 YLJCXEZRCPVDSP-QGZVFWFLSA-N 430.555 2.651 0 40 IFAB COC(=O)c1cccc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)c1 49399280 WCRSSEXORWBMEE-UHFFFAOYSA-N 431.452 2.600 0 40 IFAB Cc1ccc(-n2nnc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2C)cc1C 51317530 WYNZJUMETUFNIH-UHFFFAOYSA-N 433.512 2.879 0 40 IFAB Cc1nc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2c(-c3ccccc3)csc2n1 57380573 VZIAOHUAVFDVIC-KRWDZBQOSA-N 428.583 2.976 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCCN(Cc3ccccc3F)CC2)cc1 60378112 LASWNUKUMMVAQT-GOSISDBHSA-N 427.520 2.825 0 40 IFAB COc1ccc(-c2cc3nn(CC(=O)Nc4cc(OC)ccc4OC)c(=O)n3c(C)n2)cc1 67226537 MQIJIKVQSANFTC-UHFFFAOYSA-N 449.467 2.531 0 40 IFAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCc3ccccc32)o1 69535730 AAKJHFCIDJEPLO-QZTJIDSGSA-N 446.525 2.803 0 40 IFAB COc1ccccc1NC(=O)c1nnn(CC(=O)NCCc2ccc(Cl)cc2)c1C 71327438 NNICOZLQJYZUSF-UHFFFAOYSA-N 427.892 2.860 0 40 IFAB COc1ccccc1-c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)Cc1nonc1C 72336991 MBFOZGZKJBBZCZ-KUHUBIRLSA-N 430.468 2.927 0 40 IFAB O=C(NC[C@@H](O)c1ccoc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 77101351 OOWLLHFAVVFDPH-GOSISDBHSA-N 439.493 2.722 0 40 IFAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)NC)cc1)c1ccccc1OC(F)F 78932328 TVIVGPXGDVNGSG-INIZCTEOSA-N 440.468 2.689 0 40 IFAB Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1Cl 103332534 NGAQCJFKGIFDTB-SRVKXCTJSA-N 442.299 2.742 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 165647304 UHVHIBCOKNYCIX-WPCMGHOJSA-N 426.513 2.841 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O 222524953 ZWYPWWAKJXUGLO-HNNXBMFYSA-N 441.915 2.880 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1cccc(F)c1 224819342 XRYOHXSSJOKOPL-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCOCc3ccccc3)s2)cc1 225147134 APCGWLHZJCZNRK-UHFFFAOYSA-N 432.527 2.594 0 40 IFAB C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225692375 AXRJLFXKLNACGJ-CYBMUJFWSA-N 437.468 2.885 0 40 IFAB O=S(=O)(NCC1CCN(c2ncc(F)cn2)CC1)c1ccccc1OC(F)(F)F 244970188 HNKMWBOSRTUEQK-UHFFFAOYSA-N 434.415 2.709 0 40 IFAB CN(C(=O)COc1ccc(CN2CCCC2)cc1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O 257220732 DLXPNYSQJCXEGZ-CQOQZXRMSA-N 426.561 2.861 0 40 IFAB COCCC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3ccccn3)C2=O)C1 306140873 VFYJUTJFMAVSGT-GBXCKJPGSA-N 439.560 2.630 0 40 IFAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)cc1 409068122 KGQHOUJQUAJFOM-VNGKGULCSA-O 448.474 2.859 0 40 IFAB O=C(Nc1cccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)c1)[C@H]1Cc2ccccc2O1 507903250 PWHOOCXWPJGURK-QFBILLFUSA-N 434.452 2.737 0 40 IFAB O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccnc(-n2cncn2)c1 520759254 LEZLBTWDQLXBEC-FQEVSTJZSA-N 425.452 2.958 0 40 IFAB O=C(Cc1ccccc1)N1CCO[C@@]2(C1)C(=O)N(CC1CCOCC1)C[C@H]2c1ccccc1 585106934 LPCRWHHUKFZOHY-RPLLCQBOSA-N 448.563 2.879 0 40 IFAB COc1ccc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)c(F)c1 608985690 ANWFNJLSTYUPAT-GFCCVEGCSA-N 445.228 2.609 0 40 IFAB COc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CCN2C)cc1 1848352693 QCWZYRSGABEQFG-JOCHJYFZSA-N 437.540 2.825 0 40 IFAB Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928844 PFXCSKLUQZYVDE-AWEZNQCLSA-N 431.493 2.539 0 40 IFAB COCCCN1CCC[C@@]2(CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)C1 2056223318 FWPPEJGEFCNXHR-OAQYLSRUSA-N 426.579 2.607 0 40 IFAB O=C(NCC(F)(F)F)[C@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226450 RRFVIHLMWONAHM-ZBFHGGJFSA-N 426.357 2.744 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1cccs1 1090792 PIDTVBMVDNBPOI-MUMAZLPKSA-N 426.519 2.565 0 40 IFAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)c(OC)c2)CS(=O)(=O)C3)cc1 3009423 OBMVDEOYLUHLPG-UHFFFAOYSA-N 443.481 2.579 0 40 IFAB COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)N2CCCC2)cc1 6239833 MJGCBUCBNWZCJX-JOCHJYFZSA-N 446.511 2.765 0 40 IFAB C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1nc(N)nc(N(C)C)n1 8724611 LPXUMDMGHPMZAC-GFCCVEGCSA-N 431.497 2.633 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)c1 8878802 NVCJVEWKSWBJJO-INIZCTEOSA-N 438.575 2.567 0 40 IFAB O=C([C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1)N1CCN(c2ccccc2)CC1 8992905 JTNWOZQADZMADN-OAHLLOKOSA-N 425.924 2.572 0 40 IFAB Cn1c(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 9115692 FCBUQDPLLFTWSY-GOSISDBHSA-N 432.933 2.696 0 40 IFAB Cc1csc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)n1 9413198 FGMKKVVIQCBZGY-UHFFFAOYSA-N 432.556 2.736 0 40 IFAB CC(=O)N1N/C(=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)C[C@@H]1c1ccc(Cl)cc1 9420284 JJIPUSWJWXOXNP-FXBHHXAOSA-N 430.892 2.803 0 40 IFAB O=C(CCCn1nnc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9579921 HQKWIZLSIQYCRR-UHFFFAOYSA-N 445.445 2.939 0 40 IFAB COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc2c1OCCO2 9882459 PGHBLKVRUSRNOY-RUDMXATFSA-N 444.509 2.903 0 40 IFAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1cccc(OC)c1 9969271 VAMCZBYBABZHKJ-FQEVSTJZSA-N 444.509 2.649 0 40 IFAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)c1 10105029 PEZOOKAMTQMMPK-UHFFFAOYSA-N 429.480 2.630 0 40 IFAB COc1ccc(N2C(=O)C[C@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)cc1OC 10168041 OBBURKUEYQHGSH-INIZCTEOSA-N 431.876 2.560 0 40 IFAB COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)nn2)cc1OC 11695364 HSDWOAIQJAGKLL-UHFFFAOYSA-N 446.554 2.733 0 40 IFAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 11858295 RXRIPVOHZIJEFF-UHFFFAOYSA-N 448.444 2.881 0 40 IFAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc2c(c1)OCO2 12196771 VALOGFLROHNMQX-LJQANCHMSA-N 445.541 2.513 0 40 IFAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1O 12469146 IGPYWEFJPKHNSD-REZTVBANSA-N 428.422 2.805 0 40 IFAB O=C(CN1CCN(C(=O)CN2CCc3ccccc32)CC1)Nc1ccccc1C(F)(F)F 12517304 FJPDKOQXAHIGMB-UHFFFAOYSA-N 446.473 2.851 0 40 IFAB Cc1cccc(-n2c(S[C@@H](C)C(=O)Nc3cc(C)on3)nnc2N2CCOCC2)c1 12522038 LWNYVHKKPHGSCW-HNNXBMFYSA-N 428.518 2.828 0 40 IFAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 12786637 PQTNMMSEXXPIGA-UHFFFAOYSA-N 436.559 2.859 0 40 IFAB COc1ccc(C(=O)OCc2cn3cccc(C)c3n2)cc1S(=O)(=O)N1CCCC1 12804851 MCWJBIIEJVAWRX-UHFFFAOYSA-N 429.498 2.793 0 40 IFAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12860795 FVVGDFGRLSGNAU-QRWLVFNGSA-N 429.904 2.651 0 40 IFAB COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc34)C2)cc1OC 13569483 DQORGRRYLDUDIG-CQSZACIVSA-N 444.923 2.599 0 40 IFAB O=C(CSc1nnnn1C[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14200572 DAAZYDZNFQCUHP-HUUCEWRRSA-N 444.586 2.960 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C(N)=O)cc1 14226890 DPGHQWCNYDFLBU-UHFFFAOYSA-N 429.432 2.843 0 40 IFAB CCOc1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 15605138 GFBUXTFXRISGCZ-UHFFFAOYSA-N 447.509 2.863 0 40 IFAB COc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cc(OC)c1OC 16756171 OFXBETGYZMBSID-UHFFFAOYSA-N 429.502 2.724 0 40 IFAB O=C(C1CCCCC1)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)nc2C1 19014707 NMPHDPHLWQKNGM-UXHICEINSA-N 442.560 2.880 0 40 IFAB O=C1NC[C@@H](C2CCN(C(=O)CCc3nc(-c4ccncc4)no3)CC2)c2ccccc21 19374950 JHLDIYVACVIWQA-FQEVSTJZSA-N 431.496 2.830 0 40 IFAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19697611 CXIVMYQHLOPFHT-MRXNPFEDSA-N 448.570 2.535 0 40 IFAB Cc1nc([C@@H]2CCCN2C(=O)c2ccnn2C)nc2c1CC(=O)N2Cc1ccc(F)cc1 19744279 MHHBUEXEYTWVKR-SFHVURJKSA-N 434.475 2.724 0 40 IFAB COC(=O)c1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 19793711 WQXSADXRJJRCEG-UHFFFAOYSA-N 449.507 2.670 0 40 IFAB COC(=O)[C@@](NCCc1ccc(OC)c(OC)c1)(NC(=O)c1ccccc1)C(F)(F)F 19857325 CBPHJYOBWWRXAE-HXUWFJFHSA-N 440.418 2.698 0 40 IFAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@H]2[C@@H]1C 20466752 NBWFYASPXYCIKZ-MOKMAUJRSA-N 430.589 2.893 0 40 IFAB biogenic,in-vitro Fc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1 22928899 XTFUKGXPAQVARO-XZOQPEGZSA-N 436.535 2.898 0 40 IFAB CCOc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OCC 23805716 QUPFCGDAMTZCGO-XMMPIXPASA-N 439.512 2.610 0 40 IFAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1F 24865413 QHRRMBZBYWBANU-UHFFFAOYSA-N 445.516 2.629 0 40 IFAB CC(C)C[C@H](CNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCOCC1 24923441 HQQFXSTYJQNNSL-HXUWFJFHSA-N 434.540 2.862 0 40 IFAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1=O 25913577 DRHACHIDPNUDQJ-XMMPIXPASA-N 437.471 2.714 0 40 IFAB O=C(C[C@H]1SC(=O)NC1=O)Oc1ccc([C@@H]2SCC(=O)N2c2ccc(O)cc2)cc1 28294999 VGSWBGLPINHSFY-BEFAXECRSA-N 444.490 2.818 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 33911138 DYBDTIJRCPYMPG-SSNFMEOTSA-N 435.451 2.976 0 40 IFAB CCN(C(=O)CN1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)c1ccccc1C 36408760 PAWSGJQCNRPAJA-UHFFFAOYSA-N 443.569 2.557 0 40 IFAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(NC(=O)Cn4cncn4)c3)c12 40118866 JUMWKMJUYVHHQF-UHFFFAOYSA-N 448.462 2.776 0 40 IFAB CCc1nn2c(nnc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(F)cc1 40391763 IPDKPVZICPFVHQ-UHFFFAOYSA-N 429.415 2.587 0 40 IFAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 48278062 ZSNKMRDZUIGRFE-UHFFFAOYSA-N 444.557 2.956 0 40 IFAB COc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)c(OC)c1 49008591 JFRKOLXWJOXTIH-UHFFFAOYSA-N 435.440 2.648 0 40 IFAB CSc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997935 AOSGGEIPPURSQL-UHFFFAOYSA-N 432.977 2.939 0 40 IFAB COc1ccc(N2C(=O)CN(C3CCCCCC3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 56998175 OAICUUDHJRMJRG-QZTJIDSGSA-N 426.966 2.886 0 40 IFAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3nc2N2CCCC2)CC1 58217213 UADVYUVTWUVTIN-UHFFFAOYSA-N 439.512 2.794 0 40 IFAB O=C(CN1CCC(CN2CCOCC2)CC1)NC[C@@H](c1ccccc1Cl)N1CCCC1 62581715 RZSOWJKLDOUWFP-QHCPKHFHSA-N 449.039 2.637 0 40 IFAB COc1ccccc1N1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)CC1 67870848 VOAFTZOYAPMSKC-PCCBWWKXSA-N 438.572 2.551 0 40 IFAB biogenic,in-vitro O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)c1ccc(F)cc1 67896730 RODIJQVYEDOPRG-FYYLOGMGSA-N 435.455 2.934 0 40 IFAB biogenic,in-vitro C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 69582930 WOHZDWMPRHQHKX-OAHLLOKOSA-N 426.521 2.884 0 40 IFAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)CC1 70007224 GCKSIWDIIVRFDR-QGZVFWFLSA-N 445.539 2.503 0 40 IFAB COC(=O)[C@@H](CCSC)NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1 71333498 AEPFGJLCYYNHBG-MRXNPFEDSA-N 434.468 2.966 0 40 IFAB CCc1nccn1C[C@H](C)C(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1 72345688 MPDVKPATHALUME-KRWDZBQOSA-N 446.555 2.574 0 40 IFAB COc1ccc2c(c1)OC1(CCN(C(=O)C[C@H]3C[C@@H](C(C)=O)C3(C)C)CC1)CNC2=O 72393376 DXBCRZDYAAPJJO-APWZRJJASA-N 428.529 2.820 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc(-c4ccccc4)nc3C)C2)cc1 89537044 OKTFAGZCNKUFCT-UHFFFAOYSA-N 437.521 2.869 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCc2ccccc21 89878785 IJOGUUAACZEWBV-UHFFFAOYSA-N 435.549 2.735 0 40 IFAB Cc1cccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2F)c1C(=O)N1CCCC1 95381777 XYVYEYCNMIYSTQ-UHFFFAOYSA-N 440.518 2.574 0 40 IFAB COC(=O)c1cc(S(=O)(=O)Nc2ccnc(C)c2)ccc1I 95466408 LGBJXDOMQCFCOZ-UHFFFAOYSA-N 432.239 2.582 0 40 IFAB Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 100116444 QBZFOJBKWDXBPC-QZTJIDSGSA-N 444.491 2.617 0 40 IFAB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3N3CCCN23)cc1 100759626 PZSBHXCUDDXJAN-QYZOEREBSA-N 442.313 2.993 0 40 IFAB O=C(NCCCn1ccnc1)c1nnsc1NC(=O)N1CCCC[C@@H]1c1cccnc1 101377058 YOIIROVFZBWRJQ-MRXNPFEDSA-N 440.533 2.709 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 106088838 YAOHMCBUQAKYRN-SRGWNRLKSA-N 426.561 2.501 0 40 IFAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 223304627 HUQMFWYFQVTMRG-UHFFFAOYSA-N 431.283 2.856 0 40 IFAB COc1ccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)cc1Cl 223686581 JZKFUHFWRDLRRO-UHFFFAOYSA-N 440.949 2.927 0 40 IFAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1OC 225155736 AIQFBCVDDMHLLS-UHFFFAOYSA-N 435.527 2.813 0 40 IFAB CCOc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccc1OC 225514112 FJSHGPZQJITRTN-GOSISDBHSA-N 432.542 2.811 0 40 IFAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NCc3c(OC)cccc3OC)ccc21 225865634 JGCIAFDKVVZVBE-UHFFFAOYSA-N 431.514 2.971 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)C1 226048477 IKNINFKGUPOADJ-CQSZACIVSA-N 438.575 2.861 0 40 IFAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)Cc2csc(C)n2)CC1 257232048 GJFNGCPGRNSFSJ-QNWVGRARSA-N 429.586 2.830 0 40 IFAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc(C)ccc1C)S(C)(=O)=O 260888519 BBUHURWSHLALTB-ZWKOTPCHSA-N 432.542 2.804 0 40 IFAB COC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 408622579 RIYVVJQHGJLZIZ-AWEZNQCLSA-N 447.395 2.924 0 40 IFAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc2ccccc12 408650792 BZEOSUQYDQLVJK-SFHVURJKSA-N 431.448 2.515 0 40 IFAB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 2616428 NRFJKOFRLMYRSB-UHFFFAOYSA-N 425.514 2.843 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCCc2ccccc21 3235071 RXYLSMLEEICBEB-QFIPXVFZSA-N 428.554 2.834 0 40 IFAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O 3362655 XHPQTFLDSQYFNS-APPDUMDISA-N 441.269 2.730 0 40 IFAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCc5ccccc5C4)ccc3c2=O)cc1 4791501 QBZWQYNNDNYVIY-UHFFFAOYSA-N 441.487 2.945 0 40 IFAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 5706776 LYFZBGIZNYYJJR-PMACEKPBSA-N 428.485 2.845 0 40 IFAB in-vitro Cc1[nH]c(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)c1C(=O)OC(C)C 8745197 JLKBYDZKQMJBIA-ZDUSSCGKSA-N 430.457 2.960 0 40 IFAB COCCN/C(Nc1ccc(C)cc1)=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 8777866 LZSPGHABCOCMKX-ZCXUNETKSA-N 428.876 2.791 0 40 IFAB COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1OC 9011991 PWMQBAAJQGLVMB-PXDATVDWSA-N 449.507 2.536 0 40 IFAB biogenic Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1Cc1ccccc1Cl 9172568 KNIVKLLVDUSFKG-UHFFFAOYSA-N 445.903 2.863 0 40 IFAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 9284480 BEBRQHMYJGBDSE-UHFFFAOYSA-N 432.470 2.873 0 40 IFAB COc1ccc(/C=C\C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OC 9428173 XWYMNUAOROPDLE-POHAHGRESA-N 438.480 2.935 0 40 IFAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@@H](C)CC)NC(=O)N[C@H]1C 9468182 CKSMBSDUOSJSCC-STQMWFEESA-N 430.530 2.978 0 40 IFAB Nn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1cc(-c2ccccc2)n[nH]1 9487763 NVFIAUOSYBMMLM-UHFFFAOYSA-N 426.893 2.828 0 40 IFAB Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCc4ccccc43)[nH]c2=O)cc1 9518122 DIKKSWWTLGWYAH-UHFFFAOYSA-N 449.536 2.984 0 40 IFAB O=C(COC(=O)c1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9664762 OMXZYJWTYVJUNU-UHFFFAOYSA-N 438.452 2.935 0 40 IFAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cccc(Cl)c5)CC4)ncnc32)c1 9850816 QDMLNIHUACOZSI-UHFFFAOYSA-N 449.902 2.835 0 40 IFAB CCc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10172953 GRXPYBRGHMLHSK-UHFFFAOYSA-N 427.570 2.683 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@]3(CN(C(C)=O)Cc4ccccc4O3)C2)cc1 12087147 JLNGFAAYMRZSMF-QHCPKHFHSA-N 442.537 2.854 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 12440914 OTGGUAOTGJUQJJ-UHFFFAOYSA-N 446.916 2.630 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(Cl)cc1F 12545362 YFUHKRQBSUWBAU-LJQANCHMSA-N 433.867 2.544 0 40 IFAB C[C@@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12732647 SEDOZXMVIAROFR-INIZCTEOSA-N 427.998 2.874 0 40 IFAB CCN(CC)C(=O)C[S@@](=O)CC(=O)Nc1cc(OCCOC)c(Cl)cc1Cl 12858665 BWWJKXIATKJVFK-HHHXNRCGSA-N 439.361 2.574 0 40 IFAB CCN1C(=O)[C@H](NC(=O)C(=O)N2CCc3ccccc3C2)c2cc(Br)ccc21 13625799 NLKMVFMSHXNEOC-GOSISDBHSA-N 442.313 2.558 0 40 IFAB CCCCCN(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 14075862 ZZMYHIRVXIGZSD-FGTMMUONSA-N 435.613 2.856 0 40 IFAB O=C(O)c1ccc(CNC(=O)c2cccc(C(=O)NCc3ccc(C(=O)O)cc3)c2)cc1 16386297 ATGBSAVTIFJQDS-UHFFFAOYSA-N 432.432 2.943 0 40 IFAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 17357714 GZYXVZCPDZNLQU-QFIPXVFZSA-N 441.597 2.648 0 40 IFAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2csc(C)n2)C1 19703100 AZBGSPINRFPWLX-CQSZACIVSA-N 444.582 2.996 0 40 IFAB CNc1nc(C2CCNCC2)nc2c1CN(S(=O)(=O)Cc1cccc(Cl)c1)CC2 19711006 DQVLLNSOVCYDDC-UHFFFAOYSA-N 435.981 2.527 0 40 IFAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Br)cc1 20021425 SICJDNHMRADZLB-CYBMUJFWSA-N 441.347 2.956 0 40 IFAB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc2c(c1)OCCO2 20745474 WSYFVLUWVGWBDJ-CQSZACIVSA-N 425.832 2.892 0 40 IFAB COC(=O)c1c2c(nc3c1c(-c1ccc(F)cc1)nn3[C@@H]1CCS(=O)(=O)C1)CCC2 23136704 AQPOLSFPIYGRHT-CQSZACIVSA-N 429.473 2.872 0 40 IFAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24780043 OKMBDJGUAAAKIN-UHFFFAOYSA-N 445.552 2.980 0 40 IFAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1nc3ccccc3[nH]1)C2=O 29601706 ZNSZTABOGOPHRP-UHFFFAOYSA-N 425.533 2.749 0 40 IFAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1OC 30755885 HLBRKTJEOUICDI-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB COc1cccc2c([C@H](C(=O)O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c[nH]c12 32074132 ZCPHYGSMRUPHIO-OAQYLSRUSA-N 443.525 2.617 0 40 IFAB CCOc1ccc(NCc2cc(=O)n3ccsc3n2)cc1S(=O)(=O)N1CCCCC1 32679661 HWWQKFBVPIPOGX-UHFFFAOYSA-N 448.570 2.941 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 32869619 LMAJHLBEVLIFQM-UHFFFAOYSA-N 428.440 2.786 0 40 IFAB C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 34858838 DKWIUCZORBAHQU-MRXNPFEDSA-N 427.998 2.826 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@H](C)O1 40089329 FQJFHCLXHLFVGR-HOTGVXAUSA-N 438.521 2.574 0 40 IFAB COC(=O)C[C@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1cccc(Br)c1 58113328 NBEMLWLZENFCCD-HNNXBMFYSA-N 446.301 2.523 0 40 IFAB Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-n5ccnc5)nn4)C3)CC2)c1 62022893 NMRIEBKJODMSIK-NRFANRHFSA-N 445.571 2.844 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1)N1CCCCC1 71817342 NOEMOCDWQOKTSO-UHFFFAOYSA-N 427.570 2.672 0 40 IFAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3nccn3C)CC2)cc1 72354974 ZISIXVGSKHBWCW-UHFFFAOYSA-N 436.516 2.509 0 40 IFAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 72376526 ADMLNUWZEDNBNH-GOSISDBHSA-N 448.571 2.653 0 40 IFAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 96231363 RQLZGPRGKSTWSN-BEFAXECRSA-N 429.546 2.863 0 40 IFAB COC(=O)C1=CC[C@@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 100038211 VDGOFNMYZYBUDT-YCONPBHISA-N 432.469 2.871 0 40 IFAB O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nnc(SCc2ccccc2)s1 100954385 DITNQGRWJUCZBS-NXNVCVFFSA-N 440.550 2.966 0 40 IFAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1CCN1CCOCC1 223127128 GDIBRPJGEYRSPR-VXKWHMMOSA-N 434.569 2.572 0 40 IFAB O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H](Oc2ccc(Br)cn2)C1 238874619 NSVZDVONGLADOT-SFHVURJKSA-N 432.318 2.974 0 40 IFAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(Cl)ccc1N2 247999642 RXPQJVLPFUDFDU-UZSYQUHHSA-N 432.952 2.899 0 40 IFAB O=C(NCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1)c1cncc(O)c1 257262523 LLTBDQQIHFUBSK-MRXNPFEDSA-N 438.459 2.641 0 40 IFAB Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@@]2(CCN(C(=O)c4ccccc4)C2)CC3)cc1 306137228 QPXFJMJAWYGKMP-AREMUKBSSA-N 442.519 2.669 0 40 IFAB O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1ccccc1Br 390828340 QMRSEYXZCYJOEP-UHFFFAOYSA-N 440.261 2.583 0 40 IFAB CC(C)(C)OC(=O)N1CCC(C(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)CC1 390830202 JLWFWGXUNSKXGU-CYBMUJFWSA-N 431.459 2.666 0 40 IFAB CCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC 408588537 GPTBAKVMBNHBMK-UHFFFAOYSA-N 438.521 2.881 0 40 IFAB COc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1NC(=O)c1ccc(C)cc1 408597703 VZEJANTUHSEFEE-UHFFFAOYSA-N 428.514 2.821 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccccc1OCC 408738778 OFTHPKVIYHPIQE-CNSVBDKNSA-N 449.532 2.592 0 40 IFAB CCOc1ccccc1NC(=O)CN1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 575414164 BVXQBHRLFCFLHG-UHFFFAOYSA-N 444.557 2.689 0 40 IFAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575618831 WNUXRWZXXFKGNG-KRWDZBQOSA-N 429.546 2.817 0 40 IFAB CCN(CC)C(=O)CN1CCOc2ccccc2Oc2ncccc2C(=O)N(C)CC1 643575125 BVYZLTIFKIEKJS-UHFFFAOYSA-N 426.517 2.509 0 40 IFAB COc1ccc(-c2c(=O)n(OCc3ccc(OC)c(OC)c3)c3ccccc3[n+]2[O-])cc1 1410149 ZDFAHFJDSOFTAZ-UHFFFAOYSA-N 434.448 2.957 0 40 IFAB COc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1S(=O)(=O)N(C)Cc1ccccc1 3347979 BBVOSOXYEMVPDH-UHFFFAOYSA-N 442.493 2.884 0 40 IFAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 3396556 KGXYXTYVKWFPOD-UHFFFAOYSA-N 436.541 2.995 0 40 IFAB CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)NCCCN(C)C)c2)CC1 3455833 DKUISOPCFWNMRO-UHFFFAOYSA-N 446.411 2.551 0 40 IFAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCO2 4093245 KBQANQZUPTUAGT-UHFFFAOYSA-N 440.500 2.725 0 40 IFAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1C 8133058 ABKNJUYHOXECBU-CMJOXMDJSA-N 425.485 2.725 0 40 IFAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccccc3OC)C2=O)cc1 8328249 XHBUKHULSUYUMV-NPMXOYFQSA-N 425.485 2.974 0 40 IFAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O 8891599 MEPKMXDYDQYIBR-HSZRJFAPSA-N 438.459 2.747 0 40 IFAB C[C@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 9032353 IDVNBKUBLSCQIR-JTQLQIEISA-N 436.251 2.567 0 40 IFAB O=C(CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1)NCc1ccc(F)cc1 9106714 YPABUEMGMYFGQQ-UHFFFAOYSA-N 427.436 2.771 0 40 IFAB Cc1c(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 9498881 HEHRCGCBLXTBHE-AWEZNQCLSA-N 435.509 2.840 0 40 IFAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O 9509449 UMJIUDZVHOLPIB-FQEVSTJZSA-N 435.933 2.948 0 40 IFAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C2=O 9512430 KUVXYLYSUNSDPR-IQMFZBJNSA-N 438.484 2.649 0 40 IFAB COc1ccc(CN(C)CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1F 9671805 GEABEIILZMMZKS-UHFFFAOYSA-N 435.521 2.689 0 40 IFAB C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)N1CCN(c2ccccc2)CC1 9862254 FAXHXMLIHPNYDF-DOTOQJQBSA-N 433.603 2.958 0 40 IFAB Cn1c(SCC(=O)NCCc2ccc3c(c2)OCCO3)nnc1-c1ccccc1F 10281096 NGSORNKUFGBIQZ-UHFFFAOYSA-N 428.489 2.843 0 40 IFAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 10386645 KSNICWOJRGZRBO-UHFFFAOYSA-N 442.946 2.780 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 10629346 OBADKMMFPAOOQL-GOSISDBHSA-N 443.481 2.662 0 40 IFAB O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1)c1cccs1 10680308 ZXXHIFQRLQVMSY-UHFFFAOYSA-N 438.955 2.672 0 40 IFAB CCCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C 11613342 PNIRXJISJYYGPT-UHFFFAOYSA-N 436.516 2.556 0 40 IFAB COc1cc(CC(=O)N2CCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cc(OC)c1OC 12154021 IYZDXXFGKNPORS-QGZVFWFLSA-N 440.500 2.984 0 40 IFAB O=C(O)CNC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1 12660200 WNUATWWWJHSRCU-QNGOZBTKSA-N 443.459 2.911 0 40 IFAB biogenic O=C(NC1CCN(C2CC2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12768873 BGBJHDGMCZLYHX-UHFFFAOYSA-N 445.629 2.709 0 40 IFAB COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)N2CCOCC2)cc1 12818433 IIEDFIJSADTMIZ-JOCHJYFZSA-N 449.555 2.966 0 40 IFAB COc1cc(OC)c(N2C[C@H](C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2=O)cc1Cl 12947360 VJVNPXBLBSXRGV-SNVBAGLBSA-N 430.848 2.518 0 40 IFAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12997175 WTXBWIQOXOCLAG-GOSISDBHSA-N 433.549 2.708 0 40 IFAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 13113494 BLKPYLDLODDUOJ-ZDUSSCGKSA-N 447.542 2.796 0 40 IFAB O=C(NCC(=O)N(c1cccnc1)[C@H](C(=O)NC1CCCC1)c1ccco1)c1ccco1 13506690 AESCLBRCRKOJCD-NRFANRHFSA-N 436.468 2.831 0 40 IFAB CCC[C@H]1O[C@@H]2C=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 13889744 PMZXYZGZQZYDLA-IGCCQQKSSA-N 428.525 2.637 0 40 IFAB in-vitro COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n3n2)cc1OC 16742412 DEEJPVWLQXNORI-KZBAPLJJSA-N 449.488 2.812 0 40 IFAB O=C(NCc1ccco1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 16844246 QUVCIEWJIRAZEQ-UHFFFAOYSA-N 449.529 2.921 0 40 IFAB CN1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C1 16916210 KGPTYFMSBPZHMD-UHFFFAOYSA-N 434.587 2.948 0 40 IFAB CN1C[C@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)CC2)CC1=O 19084088 IKPZCXOWSLULST-OWCLPIDISA-N 437.535 2.888 0 40 IFAB CCN1C[C@@H](C(=O)N2CCC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)CC1=O 19526909 GIGDGLBRDDPROW-ORIJERBGSA-N 427.471 2.765 0 40 IFAB COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1F 19559550 HRFQIXJFFXFNIK-UHFFFAOYSA-N 428.489 2.990 0 40 IFAB CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)c4ccncc4)C3)nc3ccccc23)CC1 19759181 OGCRPYFTWCCKJB-IBGZPJMESA-N 429.524 2.647 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCSc2ccccc2)Oc2ccc(Cl)cc21 20460724 ZIKJOIGGXHURRK-QGZVFWFLSA-N 426.947 2.776 0 40 IFAB Cc1ccc(Cl)cc1N1C(=O)/C(=C/N[C@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 20533173 WXEOBIUYQUXUGG-LZNAANCOSA-N 430.913 2.953 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2F)cc1S(=O)(=O)N1CCOCC1 24048306 FPAZOAPZRHDKEQ-CQSZACIVSA-N 440.468 2.700 0 40 IFAB C[C@@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)n1cc(Br)cn1 28304465 SESDWEYCMMZXSK-QMMMGPOBSA-N 429.321 2.859 0 40 IFAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 32109723 CRPJUIZGEAELOY-PBJWJZLWSA-N 443.861 2.800 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)OCc3ccc(F)cc3)CC2=O)cc1 32867739 RHVSBRPCYJUSOZ-KRWDZBQOSA-N 448.516 2.953 0 40 IFAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 32999791 PKUOHDZNUCGQQU-HXUWFJFHSA-N 449.960 2.968 0 40 IFAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(Cc3ccccc3)CC1)cn2CC(=O)O 36359346 HGLBIXLLACTKGP-QHCPKHFHSA-N 437.496 2.678 0 40 IFAB C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)NC(=O)NC1=O 40111143 FQPOZEXBEMIQRG-NRFANRHFSA-N 426.860 2.774 0 40 IFAB COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)c2sc(NC(=O)C3CC3)cc2C)nn1 40152712 ASZIXOMBHPJYBW-DZGCQCFKSA-N 431.518 2.697 0 40 IFAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 40400037 ZSAWGASZUKSPRZ-OAHLLOKOSA-N 447.451 2.789 0 40 IFAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 44839758 MJBPFNKGQHPAGK-HXUWFJFHSA-N 434.514 2.512 0 40 IFAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c3ccccc3O1)CC(C)(C)O2 44855288 GIEIPMUNPCGPOT-OXJNMPFZSA-N 430.526 2.941 0 40 IFAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 44855437 STFPYEBJPOMYHV-OXJNMPFZSA-N 430.526 2.941 0 40 IFAB COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 44893440 QKEGKLFNAGECFC-UHFFFAOYSA-N 430.935 2.708 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccc(F)cc2)Oc2ccc(Cl)cc21 44906565 BUEIEUKTEQSQIX-GOSISDBHSA-N 426.897 2.755 0 40 IFAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1ccc2c(c1)OCO2 57490544 WUSUDGKZOZPEMS-UHFFFAOYSA-N 439.424 2.720 0 40 IFAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCn3ccc4cc(OC)ccc43)n2)cc1 71281568 DOKOWXNRHAKETO-UHFFFAOYSA-N 432.480 2.699 0 40 IFAB CC(C)N(C)C(=O)c1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 71850218 XMLXXADDVJQEDG-SFHVURJKSA-N 449.598 2.698 0 40 IFAB COc1ccc(CCC(=O)N2CCCN(C(=O)CCc3nc(C(C)C)no3)CC2)cc1 72280478 OPXONBYTLWLYMT-UHFFFAOYSA-N 428.533 2.828 0 40 IFAB CCCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1C[C@H](OCC)C12CCCCC2 78874812 MLTYONIJLBDASB-OALUTQOASA-N 442.560 2.612 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1nc2c(cc1=O)CN(C(=O)OCc1ccccc1)CC2 78965380 KDUCHSBYTHXGIL-HDICACEKSA-N 438.528 2.728 0 40 IFAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)[C@@H](C)O)cc1 95951862 YIVYELVXCKKTMQ-UTKZUKDTSA-N 432.586 2.979 0 40 IFAB CCOC(=O)C[C@H](O)CSc1nnc2n(-c3ccccc3C)c(=O)c3ccccc3n12 95980781 JJRLQCVESOHKIA-HNNXBMFYSA-N 438.509 2.748 0 40 IFAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220210467 CGNCURMQFOFJON-ZDUSSCGKSA-N 426.922 2.828 0 40 IFAB COc1cccc(CCCNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 222594625 RJHHQQDKBHOKPN-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB CN1CCC(Oc2ccc(NC(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)cc2)CC1 260800754 WKRNOEYHPNETMA-NRFANRHFSA-N 431.558 2.731 0 40 IFAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408589705 FDFLTGRWVBPOQN-QGZVFWFLSA-N 432.542 2.984 0 40 IFAB COC[C@@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408629558 DJDRTXAGTWKVMV-CQSZACIVSA-N 441.347 2.796 0 40 IFAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cn1ccc3c(NS(C)(=O)=O)cccc31)CC2 524732420 BJCAJOFFEYYRAR-KRWDZBQOSA-N 443.525 2.834 0 40 IFAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)c1cn(C)c3cccc(c13)N2 604405311 YTRMAMVSNWBBLF-NRFANRHFSA-N 441.491 2.569 0 40 IFAB biogenic C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C2CCCCC2)no1 1628848509 QULYDPXNCCTMFU-FNHZYXHNSA-N 444.507 2.638 0 40 IFAB COc1ccc(CCNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC 2952015 WJNWPENHFLYLLZ-UHFFFAOYSA-N 439.512 2.626 0 40 IFAB CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 5541888 HGAINBGRJFALTP-IYXIZZNPSA-N 440.492 2.998 0 40 IFAB Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 8635409 SNYKAEGMSKSXGY-XHSDSOJGSA-N 432.571 2.898 0 40 IFAB biogenic,in-vitro COCCCn1c(C)cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1C 8667709 JXVIABTYWJNVNY-UHFFFAOYSA-N 426.469 2.554 0 40 IFAB Cc1csc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)n1 9264006 DDUJMNHFONGFFP-LLVKDONJSA-N 434.522 2.768 0 40 IFAB COc1cc(C(=O)N2CCC[C@H]2c2cccs2)ccc1OCC(=O)N1CCOCC1 9536914 MFELGLPDXIFDHH-KRWDZBQOSA-N 430.526 2.972 0 40 IFAB O=C(CCc1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9635455 PNDYEOQKHKBZRC-UHFFFAOYSA-N 449.598 2.941 0 40 IFAB CCCCn1c(N)c(N(CC)C(=O)Cc2csc(-c3ccccc3)n2)c(=O)[nH]c1=O 9643128 RFLNMIWISZITGO-UHFFFAOYSA-N 427.530 2.638 0 40 IFAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Br)cc1F 10188047 LNWIAKXSXQSWEB-UHFFFAOYSA-N 427.251 2.762 0 40 IFAB Cc1cc(C)c(CNC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(=O)[nH]1 10459365 HNMHOTVULYDOBU-UHFFFAOYSA-N 431.558 2.875 0 40 IFAB COc1ccc(Cc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)o2)cc1 11649743 KIKPUDPZNPDKQC-UHFFFAOYSA-N 444.488 2.997 0 40 IFAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccc(Cl)cc2Cl)=C1 12155173 AOUMKJFIIHTCDX-UHFFFAOYSA-N 428.301 2.537 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12820745 YZIIGVFVCMQZJR-CQSZACIVSA-N 445.903 2.950 0 40 IFAB CCn1c(=O)n(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21 12928999 NTJJHVKDGRARKU-UHFFFAOYSA-N 434.418 2.939 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 13128388 IZRVOGUCJWOHCI-CLOONOSVSA-N 449.507 2.809 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc2ccccc12 13135132 DVCOPAPRLZTZCP-UHFFFAOYSA-N 442.493 2.894 0 40 IFAB CCCN1C(=O)/C(=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c2ccccc21 13748792 FBBVUZFMQNWNOE-HNENSFHCSA-N 448.504 2.510 0 40 IFAB CN(CC(N)=O)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1 15672787 RQKXKNLRLIJFNV-ROUUACIJSA-N 426.561 2.741 0 40 IFAB biogenic,in-vitro Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCOCC3)cc12 19134625 XFWFGJFVVQOSDB-QHCPKHFHSA-N 444.539 2.796 0 40 IFAB CCN1C[C@@H](C(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)CC1=O 19526877 CCTCIGOKEHPRPQ-MHECFPHRSA-N 439.581 2.920 0 40 IFAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1OC 19549751 BLMALLFRWDGVAD-INIZCTEOSA-N 437.500 2.632 0 40 IFAB COc1cccc(OC)c1CN1C[C@@H](c2c(F)cccc2F)[C@@]2(COCCC(=O)N2)C1 19567130 FGCHNDUMVVGFKZ-HJPURHCSSA-N 432.467 2.857 0 40 IFAB NC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(S(=O)(=O)Cc2ccccc2)C1 19703551 SGGNHGLDLVVKTE-JOCHJYFZSA-N 443.500 2.731 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)nc2c1CCCN2C 19706971 HTXHWORWMCHIFK-KRWDZBQOSA-N 435.528 2.872 0 40 IFAB Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CCc1ccc(F)cc1 19744341 YEWVUOONYWYCAZ-HXUWFJFHSA-N 448.502 2.767 0 40 IFAB O=C(Cn1cc(C(=O)NCc2ccccc2)ccc1=O)Nc1cccc(-n2cccn2)c1 19751707 LWPPSWIWWTYSNQ-UHFFFAOYSA-N 427.464 2.603 0 40 IFAB CCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(C2CCCC2)CC1 20142061 YIDPPNHCSHWKCF-OAQYLSRUSA-N 446.621 2.814 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccc(F)cc1 20488909 LHZOIADHPNRVJC-UHFFFAOYSA-N 428.507 2.561 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3cccc(C)c3)C2)cc1 23796810 BDNQVHUEBQWFDC-GOSISDBHSA-N 432.542 2.600 0 40 IFAB CN(C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 24880223 OMNICZKCIXGDNU-KBMIEXCESA-N 449.507 2.804 0 40 IFAB COc1cccc(CNC(=O)c2nsc(C(=O)NCc3cccc(OC)c3)c2N)c1 33171926 FLYPRTIKGORIAW-UHFFFAOYSA-N 426.498 2.603 0 40 IFAB COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 36597053 JNYSSHBMTUEGSF-MRXNPFEDSA-N 428.514 2.521 0 40 IFAB O=C(CSc1ccccc1C(=O)N1CCN(Cc2cscn2)CC1)N1CCCC1 58009972 BFHJRWVUQPFATG-UHFFFAOYSA-N 430.599 2.816 0 40 IFAB CCOc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2S(C)(=O)=O)c1 89269931 OXKXYFRLOJPYHM-IBGZPJMESA-N 437.543 2.568 0 40 IFAB Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCc1cccc(O)c1 89702546 OOSDVTCAMVIAIH-OAQYLSRUSA-N 447.539 2.642 0 40 IFAB COc1ccc(CN2CCCN(C(=O)CNC(C)(C)c3ccc4c(c3)OCO4)CC2)cc1 95423242 JLNKKWHKPFMREN-UHFFFAOYSA-N 439.556 2.983 0 40 IFAB COc1ccc2cc([C@@H]3SCC(=O)Nc4c3c(O)nn4C3CCOCC3)c(=O)[nH]c2c1 96117321 JKKRMNKUSONUQS-SFHVURJKSA-N 442.497 2.565 0 40 IFAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)Nc1ccc(Br)cc1 101388040 SUUITKOOGZOWKG-HOTGVXAUSA-N 446.236 2.520 0 40 IFAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(OC)c1)S(C)(=O)=O 220634850 JLYCNVZQIAVKFR-NRFANRHFSA-N 433.574 2.883 0 40 IFAB CCCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 224100441 BRTDDKPVKMWRKP-UHFFFAOYSA-N 446.569 2.777 0 40 IFAB O=C(NCCOCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 224353844 SOXCXWRDYZEYLE-UHFFFAOYSA-N 434.533 2.701 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 225180864 NUMWEWUAFZCLMT-JOCHJYFZSA-N 445.585 2.584 0 40 IFAB Cc1ccc(C)c(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)c1 225257067 UUDQLGFEOIFLGE-GOSISDBHSA-N 432.542 2.806 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)nc(C)c1CC(=O)NC1CCCCC1 257276593 NUKHXQHYPZTSBD-WIYYLYMNSA-N 428.577 2.970 0 40 IFAB Cc1ncsc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257308231 TVXXCYLSSDZNTA-HFMPRLQTSA-N 443.613 2.880 0 40 IFAB O=C(NCCCN1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408575778 RAEMRWPYYCCCGL-DEOSSOPVSA-N 439.581 2.913 0 40 IFAB COC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 408619263 GYHSTAFQTYXZSP-HXUWFJFHSA-N 432.586 2.996 0 40 IFAB COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 409059991 UBCZUARZSZEQJG-WAUWHALJSA-O 448.474 2.859 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC[C@H]3CCCO3)cc2c1 879485 XNYADNKXRDBRHS-UXHICEINSA-N 445.585 2.961 0 40 IFAB Cn1c(=O)c2c(nc(SCc3ccccn3)n2Cc2c(F)cccc2Cl)n(C)c1=O 1080523 CPJZOLJMYKSBPF-UHFFFAOYSA-N 445.907 2.962 0 40 IFAB biogenic,in-vitro CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1 4291705 QJOIGYCHTSZUFD-SFHVURJKSA-N 427.501 2.513 0 40 IFAB CCCCn1c(SCC(=O)NCc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 6131917 YRGHQWLDZBOEAT-UHFFFAOYSA-N 432.571 2.892 0 40 IFAB Cc1ccc(-n2nc(C(=O)N3CCN(c4ncccn4)CC3)nc2-c2ccccc2)cc1 8782939 GSPBCLAAKLURLB-UHFFFAOYSA-N 425.496 2.995 0 40 IFAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)c(C)c1 9001318 FHKWWHWAIXNBBH-UHFFFAOYSA-N 429.480 2.565 0 40 IFAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 9095828 SCCCLRZEDQQDMI-UHFFFAOYSA-N 443.460 2.564 0 40 IFAB O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1c(-c2ccccc2)nc2ccccn12 9129838 JOKOTEMKEXPCPB-UHFFFAOYSA-N 434.521 2.996 0 40 IFAB CCOc1ccc2nc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)[nH]c2c1 9335171 SUZIPLRAGAIAGY-UHFFFAOYSA-N 434.543 2.943 0 40 IFAB CC(C)N(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)C(C)C 9519668 LRUVGCUPPZZMFG-UHFFFAOYSA-N 433.574 2.683 0 40 IFAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(Br)cc2)CCC3)n1 9520909 PHGAGWLXXWLEQN-UHFFFAOYSA-N 442.317 2.936 0 40 IFAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 9629835 LWSDTHPINCPRME-UHFFFAOYSA-N 449.598 2.724 0 40 IFAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)[nH]c1=O 9660400 UWSDWUQEQHCMTB-KRWDZBQOSA-N 448.527 2.743 0 40 IFAB O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC(=O)Cc1ccccc1 9670448 JHUOFDAQNSCSOT-JOCHJYFZSA-N 444.487 2.977 0 40 IFAB CC(C)Oc1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030623 HCYRFKIYXFKNMS-KRWDZBQOSA-N 437.539 2.687 0 40 IFAB CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 12030630 INZLYCYPAKMTCL-IBGZPJMESA-N 437.539 2.687 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]ncc3-c3ccncc3)C2)cc1 12115934 RFDWAVWPEDFHTO-KRWDZBQOSA-N 425.514 2.998 0 40 IFAB O=C(NCc1ccccc1F)c1cn(C[C@H]2CCCN(C(=O)c3cccs3)C2)nn1 12184867 PHACMAOCSVAJIE-HNNXBMFYSA-N 427.505 2.961 0 40 IFAB O=C(c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCN(c2cccc(Cl)c2)CC1 12229817 WIYXUFGLFQHOJD-GOSISDBHSA-N 448.976 2.736 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C)Oc2ccc(OC)cc2)s1 12820521 ULYXRGFJMJXXFT-AWEZNQCLSA-N 426.560 2.871 0 40 IFAB O=C(NCCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12880536 SOWUPTTWNAZWAG-UHFFFAOYSA-N 425.913 2.738 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)CC1CCCCC1 12923163 DEFXZIYSDYLNNI-UHFFFAOYSA-N 443.997 2.812 0 40 IFAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12986155 CTCZUGXJEUKYJB-LJQANCHMSA-N 428.510 2.975 0 40 IFAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(Cc1ccccc1F)C1CC1 16046764 UNCQBGSRDUHOFE-OAQYLSRUSA-N 434.471 2.961 0 40 IFAB O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(Br)o1 16849352 XBXNFPRIKWZQJR-UHFFFAOYSA-N 427.320 2.550 0 40 IFAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3C=CCC3)[nH]c(=O)c2C1 19239464 JISJDTQWXUEIJY-UWJYYQICSA-N 447.539 2.692 0 40 IFAB Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19345599 MEZAQIZJHKMUSI-VQTJNVASSA-N 427.497 2.938 0 40 IFAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 19451693 VCLHYILBQDJDAY-UHFFFAOYSA-N 443.573 2.685 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2cnccn2)CCO1 19529323 HVRCKPNCVSCEOQ-RUZDIDTESA-N 448.498 2.873 0 40 IFAB Cc1ncsc1C(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)C1 19694771 CTQYLBUPWLIXJM-INIZCTEOSA-N 436.541 2.703 0 40 IFAB O=C(O)c1ccc(CNC(=S)NC(=O)c2cccc(I)c2)cc1 20151779 UNEAPEBGKQVBTH-UHFFFAOYSA-N 440.262 2.794 0 40 IFAB O=C1S/C(=C/c2ccc(OCCO)cc2)C(=O)N1CN1CCN(c2ccccc2)CC1 20311057 IXDJLOWPRNDDNU-LTGZKZEYSA-N 439.537 2.874 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)cc1 27973116 WQAYVAGMILMXBF-UHFFFAOYSA-N 440.403 2.838 0 40 IFAB Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)CC2)c1 31234802 DYFJBTJOEWPTLV-XMMPIXPASA-N 448.611 2.715 0 40 IFAB CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 32640019 NTKFEJVEHRPUEZ-RTBURBONSA-N 429.567 2.963 0 40 IFAB CN1CC(=O)N(CCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 32738563 JHIIQRUKIWHIBD-UHFFFAOYSA-N 434.540 2.594 0 40 IFAB C[C@H](NC(=O)CSc1nnnn1CCc1cccs1)c1ccc2c(c1)OCCO2 32858480 JVEZSPXBEIICPY-ZDUSSCGKSA-N 431.543 2.718 0 40 IFAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 32889193 HCACMXUHQSAAID-LBPRGKRZSA-N 444.431 2.980 0 40 IFAB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(C)C)no3)CC2)cc1 35279550 AYCNYAKFBBBGCR-UHFFFAOYSA-N 434.562 2.696 0 40 IFAB O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc(C(F)(F)F)cc3)n(CCO)c12 38141360 JWBITBRJSDVLRG-UHFFFAOYSA-N 430.386 2.613 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc3c(c1)OCO3)O2 38849365 HOGPFXGLNBUUPC-LJQANCHMSA-N 432.498 2.879 0 40 IFAB O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399289 VFKXFWKRWHBABK-MRXNPFEDSA-N 437.887 2.952 0 40 IFAB CC1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 44843602 WQFJTBVUGLQQPL-QHCPKHFHSA-N 449.661 2.899 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3ccc(C)cc3)nccn2c1=O 49008308 QQEJOTIZECBDEZ-UHFFFAOYSA-N 447.451 2.807 0 40 IFAB COCCN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl 58364970 HPZRNOPZUDJKHI-ZDUSSCGKSA-N 425.776 2.834 0 40 IFAB Cc1ccc(C(=O)NCCNS(=O)(=O)Cc2ccc(Br)cc2F)cc1F 72232406 RVIXXHCJUJBALP-UHFFFAOYSA-N 447.301 2.885 0 40 IFAB COc1ccc(OC)c(C(=O)CCC(=O)N2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 72393927 RTDYWABKWROTIU-HNNXBMFYSA-N 437.500 2.750 0 40 IFAB CN(C)S(=O)(=O)c1ccc(OCCN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cc1 79105487 AUVVUMQGCRUKOC-OAQYLSRUSA-N 441.594 2.599 0 40 IFAB CCC(=O)NCc1cc(S(=O)(=O)N(CC)C[C@@H]2COc3ccccc3O2)ccc1OC 89941763 MNZBZUVJEOAJNZ-QGZVFWFLSA-N 448.541 2.572 0 40 IFAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cncnc1-c1ccccc1 95462465 ISJWYSYDGXRSII-UHFFFAOYSA-N 442.472 2.556 0 40 IFAB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(C(C)=O)=NN2c1ccc(Br)cc1 97020872 SJBCFKTVGHHJJO-WMZOPIPTSA-N 442.269 2.781 0 40 IFAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCSC(C)(C)C)=C2C 219189182 MSNNXQAQWAXYPS-UHFFFAOYSA-N 428.576 2.862 0 40 IFAB CCOC(=O)C1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)CC1 222532286 ZSCZKYUKHLGPIB-UHFFFAOYSA-N 430.526 2.927 0 40 IFAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224170738 BPBQTPLYILITIG-HBMCJLEFSA-N 439.556 2.580 0 40 IFAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCCCCC1 224981335 JWQWMPWDKKANJR-HXUWFJFHSA-N 425.595 2.622 0 40 IFAB CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 225011306 OGYHJLBZJHQMMF-OAQYLSRUSA-N 447.557 2.715 0 40 IFAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)c1 225117124 JFZJXMORJCXVMP-UHFFFAOYSA-N 439.461 2.688 0 40 IFAB Cc1noc(CCC(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)n1 257245330 IOZWGFUCVBSNHD-LJQANCHMSA-N 445.907 2.909 0 40 IFAB O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1cccc(OC(F)(F)F)c1 390826856 CIQOPDUTSMNAON-UHFFFAOYSA-N 445.361 2.719 0 40 IFAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 408586883 CSMAPKRJYODPTD-HNNXBMFYSA-N 434.514 2.956 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1 408666683 RNEBORAFABGCGS-XMFZQDBWSA-N 446.503 2.811 0 40 IFAB COc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)c1 408704460 NUSPGNVDPMCPPZ-UHFFFAOYSA-N 436.486 2.617 0 40 IFAB CN(Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2cncnc2N(C)C)C1 585269590 AEIBEZOKWZTFCX-VWLOTQADSA-N 448.571 2.590 0 40 IFAB Cc1nc2ccc(C(=O)NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2nc1C 605099127 TZIKJRJAACEHAM-UHFFFAOYSA-N 438.553 2.971 0 40 IFAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(C(=O)c1ccccn1)CC2 1549166472 FFBFWNKVAIRZNA-NRFANRHFSA-N 434.540 2.793 0 40 IFAB NC(=O)c1cc(F)ccc1N1CCN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1 1586954109 JFLSRGFBQZHERF-UHFFFAOYSA-N 438.503 2.513 0 40 IFAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 2291636 ZHBLQLBTDUIMSC-OAHLLOKOSA-N 445.479 2.853 0 40 IFAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3284193 ZZOWTXWQQPOCAY-UHFFFAOYSA-N 428.466 2.595 0 40 IFAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21 3342241 FSCKIMYQLPIZPW-LVANHBEFSA-N 442.537 2.734 0 40 IFAB CC(C)[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 3530247 XBTMUZYJFBGSNY-INIZCTEOSA-N 430.526 2.756 0 40 IFAB O=C1CN(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)C(=O)CN1c1ccccc1 5662987 ULPJAHPQOCMEHE-FOOFDJGMSA-N 425.554 2.895 0 40 IFAB COc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 8722882 UEWKPCZAPGTTGO-QZTJIDSGSA-N 442.512 2.609 0 40 IFAB Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCCC3OCCO3)s2)CC1=O 8904616 XFOPLWUFAFTFLB-CYBMUJFWSA-N 434.543 2.693 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9060884 BQBFAIGILCCCLC-NRFANRHFSA-N 431.533 2.636 0 40 IFAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)c3ccc(C)cc3)s2)cc1OC 9405029 VDGDDWDKYLVKFX-UHFFFAOYSA-N 448.526 2.941 0 40 IFAB CCC(=O)NC1=NN(C(=O)CC)[C@]2(S1)C(=O)N(Cc1ccncc1)c1ccc(C)cc12 9422470 WRZPCAAAGNIJAV-JOCHJYFZSA-N 437.525 2.872 0 40 IFAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O 9741885 FQHRCTLGOYJXGZ-MHECFPHRSA-N 433.464 2.516 0 40 IFAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 9856396 GGAHXZSBVHMEKZ-UHFFFAOYSA-N 436.537 2.944 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 9985006 YXCQSDGBYHLQFL-FQEVSTJZSA-N 428.510 2.890 0 40 IFAB CCn1ncc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)c1C 12085541 BLURRSYKRGKXNG-QFIPXVFZSA-N 443.935 2.812 0 40 IFAB COC(=O)Cn1cc(CN2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)c2ccccc21 12117876 YETLFRSGGURNGS-QGZVFWFLSA-N 449.555 2.692 0 40 IFAB CC(C)N(C(=O)CO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12)c1ccccc1 12342084 NJHYYAKMLCLPQN-JOZSIVFUSA-N 435.517 2.841 0 40 IFAB biogenic C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F 12520030 QOHVAAORUMCCEH-NSHDSACASA-N 429.470 2.874 0 40 IFAB Cc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)no2)cc1 12644402 UOQBEWSSQTWSQU-UHFFFAOYSA-N 445.570 2.668 0 40 IFAB C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(S(N)(=O)=O)cc1 12747863 QERNFLLOSBNIMO-CYBMUJFWSA-N 428.489 2.639 0 40 IFAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12852998 PZPAZTLLCBEPGB-GOSISDBHSA-N 427.570 2.817 0 40 IFAB C[C@H]1Oc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)cc2NC1=O 12878862 URSPTFSSTNDZKQ-CQSZACIVSA-N 439.493 2.818 0 40 IFAB CCOc1cccc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 13511655 MTRBQZXFBIDKLC-GOSISDBHSA-N 433.526 2.932 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)NCCc1ccc(Cl)cc1 13533093 LJFDTANEOCJOAE-UHFFFAOYSA-N 443.912 2.878 0 40 IFAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 13677009 KOGSJELFLZEWCW-QGZVFWFLSA-N 446.525 2.830 0 40 IFAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 13687429 WKJPWCYMCSOQII-XLIONFOSSA-N 438.509 2.989 0 40 IFAB CC(C)Oc1cc(S(=O)(=O)N(C)C)ccc1N1CC(=O)N(Cc2ccccc2)C1=O 13732752 FAQSLRDNAMZNIR-UHFFFAOYSA-N 431.514 2.693 0 40 IFAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14232686 HNYHYPZSUFYINQ-UHFFFAOYSA-N 428.554 2.901 0 40 IFAB COC(=O)c1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1OC 18060735 UZAODQZKMIILBE-UHFFFAOYSA-N 446.525 2.586 0 40 IFAB C/C(Cl)=C/CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)CNC(=O)c1cc(C)ccc1O2 19218947 KBTCWDVZXBTSNL-PARNMRPNSA-N 433.936 2.516 0 40 IFAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc2C1=O 19496181 FCLHNPCGOMPNIA-YIGJPRQDSA-N 427.545 2.597 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741605 NFHQSCHFGWGTJD-SFHVURJKSA-N 439.535 2.671 0 40 IFAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@H]3c1cccs1 20567092 BPWLHZSRVCYLMS-IBGZPJMESA-N 426.494 2.741 0 40 IFAB Cc1cc(=O)n2nc(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)sc2n1 21577855 RZTHSPWPKZSQHB-UHFFFAOYSA-N 444.870 2.849 0 40 IFAB O=C(C1CCN(c2nc3ccccc3[nH]c2=O)CC1)N1CCN(c2ccccc2F)CC1 22580963 KXWQQRSGSFUTNL-UHFFFAOYSA-N 435.503 2.627 0 40 IFAB COc1cccc(NC(=O)COc2ccc(C(=O)NCCN3C[C@H](C)O[C@H](C)C3)cc2)c1 22612201 FNRYUPAFDIEIAB-HDICACEKSA-N 441.528 2.552 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 25453804 QJMMSFRGURQVOU-UHFFFAOYSA-N 431.496 2.530 0 40 IFAB Cc1sc2ncn(CN3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c(=O)c2c1C 25776896 JFBBEHJAWOBUBN-MDWZMJQESA-N 444.582 2.651 0 40 IFAB O=C(CNc1cccc(I)c1)NC(=O)NCCc1cccs1 26782277 OVEJXJCZKQYMQB-UHFFFAOYSA-N 429.283 2.833 0 40 IFAB CC(=O)N1CCc2cc(NC(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)ccc21 32753090 ILFSMOWDPDHBDD-UYAOXDASSA-N 427.501 2.516 0 40 IFAB COc1ccc(-c2nn(CN3CCC(C(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)c(=S)[nH]2)cc1 32926839 IRSGOVYBAGZZFB-HOTGVXAUSA-N 445.589 2.922 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 35395548 WTEHWAGYAARBJW-UHFFFAOYSA-N 439.484 2.541 0 40 IFAB Cc1nccn1-c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cn1 40118524 IKEFLJGQYPLHLP-UHFFFAOYSA-N 437.481 2.900 0 40 IFAB C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)C[C@@H](C)O1 40145612 YCTQVVINJPXNKT-IAGOWNOFSA-N 447.557 2.926 0 40 IFAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1 58162449 SLGDZAJNCGQTAB-UHFFFAOYSA-N 433.349 2.525 0 40 IFAB Cc1c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)oc2c(Cl)cccc12 58403036 SCKCZRVPQLPCHU-UHFFFAOYSA-N 425.872 2.897 0 40 IFAB CS(=O)(=O)N1CCC(NC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 58440894 JNMAJSFVLXEOEZ-UHFFFAOYSA-N 447.513 2.540 0 40 IFAB COc1ccc([C@H](CNC(=O)CCC(=O)N[C@H](C)c2ccccc2)N2CCOCC2)cc1 89905550 NHDAVPBWXWQGCW-XXBNENTESA-N 439.556 2.842 0 40 IFAB COc1cc2[nH]nnc2cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 96012249 FSHYGBGCIHXHJP-UHFFFAOYSA-N 429.502 2.784 0 40 IFAB C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)C[C@H](C)O1 106920985 BVKOKGVENBAURK-AABGKKOBSA-N 438.572 2.846 0 40 IFAB CCCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@](O)(Cc2ccccc2)c2ccccc2)C1 107064024 HHVPGPGIUXPQEO-XUZZJYLKSA-N 444.597 2.685 0 40 IFAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 225189990 MTHBHSHQMSTYOB-UHFFFAOYSA-N 448.932 2.810 0 40 IFAB CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1cc(C)ccc1C 225934631 QDONFJQGLTXCAT-UHFFFAOYSA-N 433.549 2.802 0 40 IFAB COc1ccc(CN2CCO[C@]3(CN(C(=O)CC4CC4)C[C@@H]3c3cccnc3)C2=O)cc1 306140486 UUTHQYLCAFLYSY-RDGATRHJSA-N 435.524 2.614 0 40 IFAB COCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408635978 MKCJAQCAJCIVHX-UHFFFAOYSA-N 432.542 2.668 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@H]3C2=O)cc1 503954458 DOWVCTKRIAKAPM-OZAHESQGSA-N 431.492 2.743 0 40 IFAB biogenic CCCN1CCN(C(=O)c2cnc(NC)nc2)[C@H](Cc2ccccc2-c2ccccc2)C1=O 585168999 ISPNVEPOPZPSAE-HSZRJFAPSA-N 443.551 3.491 0 40 IFAB COc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1OCCn1cnnc1 585271109 JLZFZBQPKBSEOZ-DEOSSOPVSA-N 438.528 2.772 0 40 IFAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccccc1)C2 1615525635 JGRDQTBPCCPLBC-SANMLTNESA-N 447.535 2.794 0 40 IFAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccc(C)cc4)C3)C2)c1 2056226571 VDRBWBFTFMBVDG-ISKFKSNPSA-N 428.504 2.819 0 40 IFAB Cn1c(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc2ccccc2c1=O 2298117633 FCABZUZREFSUHV-UHFFFAOYSA-N 431.544 2.990 0 40 IFAB COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCC(C(N)=O)CC1 2621009 DXPRTUHQLVXDDG-UHFFFAOYSA-N 445.903 2.704 0 40 IFAB CC(=O)Oc1c(I)cc(C(=O)O)cc1I 4110407 JVPBGCMTWXCGAZ-UHFFFAOYSA-N 431.951 2.519 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCCCC3)cc2c1 6196994 LCJVLPGOFNLIJO-WIYYLYMNSA-N 438.532 2.668 0 40 IFAB CCc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NC1CCCCC1 6860568 DNZUSKHRSAANOG-ZDUSSCGKSA-N 443.573 2.871 0 40 IFAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccc4)ccc(=O)n2C3)CC1 8300413 LEXNHTQTJJPFLA-AZUAARDMSA-N 434.540 2.531 0 40 IFAB biogenic,in-vitro C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@@H](C)O1 8868045 VHROSZQMKWDODV-HUUCEWRRSA-N 442.493 2.843 0 40 IFAB CC(C)OCCCn1c(-c2ccc(Cl)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9159953 XZAFONKPICINMZ-UHFFFAOYSA-N 429.908 2.822 0 40 IFAB COc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccc(OC)cc34)CC2=O)c(OC)c1 9197006 URFQSOYDFOGNIC-MRXNPFEDSA-N 437.496 2.906 0 40 IFAB O=C(COc1ncnc2sccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9284935 VSBPBAGDJXRAKB-UHFFFAOYSA-N 432.527 2.883 0 40 IFAB NC(=O)COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1 9409533 YELHAMZDHHNJDO-AUSIDOKSSA-N 447.472 2.693 0 40 IFAB Cc1ccccc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9519616 OBPQQGWPQQPUHH-UHFFFAOYSA-N 439.537 2.985 0 40 IFAB CC(=O)N1C[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)Oc2ccccc21 9642996 AEPBHPXGKPSTKU-IBGZPJMESA-N 438.509 2.886 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21)Nc1ccc(Br)cc1 9674836 SUUITKOOGZOWKG-HZPDHXFCSA-N 446.236 2.520 0 40 IFAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 10677615 UPHUKMUPLYZUCW-UHFFFAOYSA-N 438.553 2.932 0 40 IFAB COc1cc(Cl)c(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1OC 11102182 KYLWAFMUMRMBIH-OAHLLOKOSA-N 438.933 2.989 0 40 IFAB Cc1nnc(SCC(=O)N[C@@H]2C[C@]3(CCC(=O)N(C)CC3)Oc3ccccc32)s1 12086460 KHLFNNVUNGLQPM-FOIQADDNSA-N 432.571 2.960 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)CCc2ccccc2)CC1 12133176 OOLWIQVXSXAUOA-UHFFFAOYSA-N 442.585 2.819 0 40 IFAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCn3ccc(C)n3)CCOCC2)C1 12156950 GBVBDLKRYRLUJU-GOSISDBHSA-N 426.517 2.696 0 40 IFAB O=C(Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1CO)Nc1ccc2c(c1)OCO2 12230875 BTIQNWVIILTAMD-UHFFFAOYSA-N 442.855 2.940 0 40 IFAB COc1cccc(-n2c(=O)c3ccccc3n3c(SCc4nnnn4C4CC4)nnc23)c1 12737251 RXTWIOQGTLZSNE-UHFFFAOYSA-N 446.496 2.656 0 40 IFAB O=C(CCN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccc(Cl)cc1F 12770145 HURUCFGTVTZZAK-UHFFFAOYSA-N 443.903 2.953 0 40 IFAB Cc1ccccc1-c1nnn(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)n1 12942106 PPAJTYAAQXTLHT-UHFFFAOYSA-N 432.406 2.764 0 40 IFAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCSCc2ccccc2F)cc1 13005633 VJPTVLOESRGVAF-UHFFFAOYSA-N 440.562 2.942 0 40 IFAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 13086172 GMVAZKSYJOLYCR-UHFFFAOYSA-N 434.514 2.752 0 40 IFAB COc1cc2cc(C(=O)NCCC(=O)Nc3nc(C)cs3)n(C)c2c(OC)c1OC 13729564 DCLIXBSHVWIDBK-UHFFFAOYSA-N 432.502 2.728 0 40 IFAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2cnnn2)cc1 13987091 UJUKUUVHHHHFBM-UHFFFAOYSA-N 432.440 2.545 0 40 IFAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 15140175 CMHWDVRSERIWKD-UHFFFAOYSA-N 427.570 2.997 0 40 IFAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)CC(C)(C)CC(=O)O 15676494 AWECRCNNTSAPMY-KRWDZBQOSA-N 447.919 2.902 0 40 IFAB biogenic,in-vitro C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 16837664 QLMFAPBZXAZCBG-AWEZNQCLSA-N 434.587 2.946 0 40 IFAB COc1ccccc1NC(=O)COc1cccc2ccc(N3CCC(C(N)=O)CC3)nc12 16973560 SDJKAONVEQKUBD-UHFFFAOYSA-N 434.496 2.963 0 40 IFAB CC(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1C(=O)c1ccc(F)cc1 19449957 HOBXXWWMMHAFNL-RTBURBONSA-N 436.480 2.609 0 40 IFAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)c4ccc(OC)nc4)C3)c2N)cc1 19558684 XQDYHMUHTLVBOU-INIZCTEOSA-N 435.484 2.602 0 40 IFAB CC(C)(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699862 RJJUYDNHVAILQZ-LJQANCHMSA-N 426.561 2.610 0 40 IFAB Cc1noc(CCC(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccccc4F)c(C)n3)C2)n1 19758061 NFQJDGNPAQIKEM-HNNXBMFYSA-N 438.463 2.817 0 40 IFAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(-c2cc(C)cc(C)c2)c1=O 20611523 LHSYNZZXBRZZNR-NRFANRHFSA-N 432.480 2.573 0 40 IFAB biogenic C[C@H]1CCC[C@H](NC(=O)COC(=O)CNC(=O)c2ccc(Br)cc2)[C@@H]1C 20787608 VRULPJNKWFMJKE-ZENOOKHLSA-N 425.323 2.663 0 40 IFAB COC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)c(OC)c1 22190557 PIYWBVMHPRGSTJ-PKOBYXMFSA-N 440.496 2.786 0 40 IFAB O=C(CN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccc2c(c1)OCO2 22790381 YVWIQVKQCXFQPT-UHFFFAOYSA-N 438.347 2.996 0 40 IFAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 23074160 UHLXVTQTXAMCAI-HXUWFJFHSA-N 446.525 2.706 0 40 IFAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 23475645 DPELBCUCNDHCOR-QFIPXVFZSA-N 428.558 2.689 0 40 IFAB Cc1ccccc1N(CC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)S(C)(=O)=O 23844631 RMGJXESYTJXFHV-UHFFFAOYSA-N 442.006 2.820 0 40 IFAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccncc2)CC1)c1ccccc1 23873277 DIDXTFXHVUMQKN-XMMPIXPASA-N 428.536 2.767 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 24697425 AYAFOYHZUDMADQ-UHFFFAOYSA-N 444.509 2.560 0 40 IFAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 26108773 OBALPAUOWHZKGW-UHFFFAOYSA-N 448.416 2.699 0 40 IFAB CCn1c(=O)c2ccccc2n2c(COc3ccc(/C=C/C(=O)OC)cc3OC)nnc12 26778378 VKHZKWCVFOHKAC-ZRDIBKRKSA-N 434.452 2.838 0 40 IFAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 27131819 LMTOUCMUFBNDAD-FBVAEJEDSA-N 428.562 2.513 0 40 IFAB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 31065449 LPXYRLUZRBPRPC-ZBFHGGJFSA-N 427.453 2.880 0 40 IFAB CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)NCc4ccccc4)c(N)c23)C1 31810844 CWEVBKGNCDGIPW-UHFFFAOYSA-N 437.569 2.633 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 32398981 JHUUHBHIXJWPJS-UHFFFAOYSA-N 429.586 2.895 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)Nc3ncccc3C)o2)cc1OC 35597478 XPRGZNRSZIUGCD-UHFFFAOYSA-N 445.497 2.774 0 40 IFAB O=C(Cc1noc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1)NCc1ccccc1 36359484 CMOCTGGPBKDHDR-UHFFFAOYSA-N 439.903 2.544 0 40 IFAB COc1ccc(N2C(=O)CN(CCCc3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 56998161 ZGNYLZDVHVDOIU-PMACEKPBSA-N 448.972 2.796 0 40 IFAB O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1CCN(C2CCCCCC2)C1 58230635 QZVQJJPWXURJGL-QGZVFWFLSA-N 427.998 2.922 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCCN(Cc3ccccc3F)CC2)cc1 60378111 LASWNUKUMMVAQT-SFHVURJKSA-N 427.520 2.825 0 40 IFAB CN(C)C[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H](O)c1ccccc1 65491277 SRMYXPRXYVKNIU-VBKZILBWSA-N 432.908 2.704 0 40 IFAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1OC 67322884 SLDBGOBLANFCGX-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@H]3C(=O)NC1CCN(C(C)C)CC1)NC2=O 72339284 OPWLUVAEBFKVQG-BCRJKPAOSA-N 441.572 2.939 0 40 IFAB CC[C@@H](C(=O)NCc1ccc(C)cc1)n1cc(-c2nc(-c3cnccn3)no2)ccc1=O 77199989 KDXDBKBYEUFJQA-IBGZPJMESA-N 430.468 2.931 0 40 IFAB CC(C)(C)c1cc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)n([C@H]2CCS(=O)(=O)C2)n1 95389701 ZQUVKIIYWGMZLP-AEFFLSMTSA-N 445.589 2.941 0 40 IFAB Cc1nc([C@H]2CN(C(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)CCO2)no1 95468237 MIRULILNGMTEDB-DZGCQCFKSA-N 425.411 2.608 0 40 IFAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c2)c(=O)n1C 96116539 OMGUYGIAYUSWIS-SIKLNZKXSA-N 436.556 2.940 0 40 IFAB biogenic C[C@H]1CN([C@H](CNC(=O)C2(N3CCOCC3)CCC2)c2c(F)cccc2Cl)CCO1 108156927 YZVVCKDWANFVSW-QFBILLFUSA-N 439.959 2.612 0 40 IFAB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1Cl)c1ccc2c(c1)OCCO2 113965968 UJLMGLQOXLVXRW-UHFFFAOYSA-N 438.933 2.974 0 40 IFAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 220328217 OLKHGSMKMFOFQL-HNNXBMFYSA-N 434.514 2.974 0 40 IFAB C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)N(c1cccc(F)c1)S(C)(=O)=O 220476053 TWQZRQMGSPISNJ-HNNXBMFYSA-N 439.940 2.982 0 40 IFAB COc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1N1C(=O)CCC1=O 222737266 QSDDDKAPYZGTFG-UHFFFAOYSA-N 426.560 2.693 0 40 IFAB O=C(NCC1CCN([C@H]2CCSC2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 225575859 NNLPDYJCGQAQFJ-HNNXBMFYSA-N 431.480 2.857 0 40 IFAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 225594249 XDEYHKPBEOZKOG-KRWDZBQOSA-N 444.553 2.992 0 40 IFAB CC(=O)NCC(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 257206483 BDRGDDJLNLCCDR-ZWOKBUDYSA-N 425.451 2.932 0 40 IFAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257323036 WIMVMJFWODTJMF-IBGZPJMESA-N 432.517 2.530 0 40 IFAB CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccccc2Cl)Oc2ccc(Cl)cc21 260844190 GLTGOHSKWZWJML-QGZVFWFLSA-N 445.324 2.716 0 40 IFAB COc1ccc(CN2CCO[C@@]3(CN(Cc4ccccn4)C[C@@H]3c3cccnc3)C2=O)cc1 306138709 SEWGFURLIKUMSB-AOYPEHQESA-N 444.535 2.882 0 40 IFAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409237637 ASGPRRXHAMIUFT-LICLKQGHSA-N 439.468 2.806 0 40 IFAB N=C1Nc2nc3cc4c(cc3n2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1)OCCCO4 515598689 OJXRDIUFGHCTTB-FQEVSTJZSA-N 445.439 2.813 0 40 IFAB C=CC(=O)N1CCC(C(=O)N(CC)CC(=O)N2CCCCCC2)(c2ccccc2)CC1 1568731824 XJPVVGBNJPPVDC-UHFFFAOYSA-N 425.573 2.984 0 40 IFAB CC(C)NC(=O)[C@H](C)N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 2086867499 SRNDEOJZQGRTGD-ZDUSSCGKSA-N 434.890 2.828 0 40 IFAB CN(C)CC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(OC(F)(F)F)cc3)ccc(=O)n1C2 4237440 KZVIICDZIITXLV-GOEBONIOSA-N 435.446 2.921 0 40 IFAB biogenic,in-vitro COC(=O)C[C@@H]1CN=N[C@@]1(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4426025 FFNWZUULGQZUMN-XMSQKQJNSA-N 425.441 2.998 0 40 IFAB CCCCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1 8755234 LQOBSCUJQKHYET-UHFFFAOYSA-N 441.575 2.700 0 40 IFAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 8988395 CXISTXYAEQQWIS-UHFFFAOYSA-N 437.544 2.665 0 40 IFAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)N1CCCC1 9129368 IZANZQOPQWMILJ-UHFFFAOYSA-N 436.559 2.626 0 40 IFAB Cc1ccccc1NC(=N)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1 9264462 FGRYQDFCTDHYPW-UHFFFAOYSA-N 433.501 2.805 0 40 IFAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc1 9304285 OPDSOHUFFOPVOD-INIZCTEOSA-N 431.514 2.693 0 40 IFAB CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3S(C)(=O)=O)o2)c1 9815043 XBGUBZXPRRPKCR-UHFFFAOYSA-N 449.510 2.575 0 40 IFAB CSc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 9948856 GIGUTJWLUNGVCX-QFIPXVFZSA-N 441.509 2.976 0 40 IFAB CCOc1cc([C@H]2c3c(-c4cccc(OC)c4)nnc(O)c3Nc3nnnn32)ccc1O 10296989 MKLRXWFTXBTPMG-IBGZPJMESA-N 433.428 2.643 0 40 IFAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1 10323877 SQCYPAKIUPRQRR-UHFFFAOYSA-N 449.504 2.832 0 40 IFAB CCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430616 KDDUKLDHXPTALG-UHFFFAOYSA-N 449.555 2.930 0 40 IFAB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 10687839 FGNPAEQVFQJXLX-UHFFFAOYSA-N 443.481 2.842 0 40 IFAB Cc1cccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C 11114870 IXRVKEHHTXJYGN-UHFFFAOYSA-N 427.570 2.737 0 40 IFAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)ccc12 11525976 HLJXIEBYCDLTRP-UHFFFAOYSA-N 449.507 2.700 0 40 IFAB Cc1ccc(Cn2nnc3c(SCC(=O)NCc4ccc5c(c4)OCO5)ncnc32)cc1 11758459 RSBTZCPYMRAJEV-UHFFFAOYSA-N 448.508 2.715 0 40 IFAB O=C(Nc1nc(CCC(=O)N2CCN(c3ncccn3)CC2)cs1)c1cccs1 11834975 DYCQVTQKLDDKSU-UHFFFAOYSA-N 428.543 2.528 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCc1ccc(-n2cccn2)nc1 12545912 XOPQWBUIEZAOPW-UHFFFAOYSA-N 443.305 2.776 0 40 IFAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 13118012 CUJINNPSNCDXIT-RTBURBONSA-N 431.492 2.549 0 40 IFAB COc1ccc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC 13372589 OKIJXRJWFMQZJO-IHFIDZABSA-N 436.501 2.647 0 40 IFAB CC(=O)Nc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)c1 13495685 JNJJCRXZITXGME-UHFFFAOYSA-N 431.514 2.755 0 40 IFAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3c(C)[nH]c4ccccc34)cc12 13523318 NWVKDSQCBHBWFB-UHFFFAOYSA-N 433.464 2.877 0 40 IFAB CN(CCOc1ccccc1)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 13683088 BUYXWVGFLHAGIJ-UHFFFAOYSA-N 425.938 2.540 0 40 IFAB O=c1cnc2ccccc2n1CCS(=O)(=O)NCCCCOc1ccc(Cl)cc1 14123822 DWGMFUNLKNYYGD-UHFFFAOYSA-N 435.933 2.829 0 40 IFAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)NN1C(=O)NC2(CCCCC2)C1=O 14124651 BRKIFLAANZBCDL-OAHLLOKOSA-N 441.557 2.762 0 40 IFAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cccc2nsnc12 19078469 CVIVZHXPOYNPNI-MRXNPFEDSA-N 444.538 2.725 0 40 IFAB COc1cc(CC(=O)N(C)Cc2nc(C)ncc2-c2cc(C)no2)cc(OC)c1OC 19123473 APOIGKMPJOKHRA-UHFFFAOYSA-N 426.473 2.975 0 40 IFAB Cc1cc(-c2cnc(NC3CC3)nc2CN(C)CCS(=O)(=O)c2ccccc2)on1 19123528 QBJZVIHCKRNRDK-UHFFFAOYSA-N 427.530 2.920 0 40 IFAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 19354026 SBRAVKULPDOEPI-QFIPXVFZSA-N 426.423 2.572 0 40 IFAB CC(C)NC(=O)[C@H]1[C@@H](C(=O)NCCc2ccc(F)cc2)[C@@]1(C)C(=O)c1ccccc1N 19450185 QGQMHGZLDKKCKI-DCLXLUIPSA-N 425.504 2.726 0 40 IFAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CN(C(=O)CC2CCCCC2)CCO1 19703165 PHRSVCXUWGZSNR-QGZVFWFLSA-N 431.558 2.889 0 40 IFAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19739437 NEDHJKLVPVPJRT-INIZCTEOSA-N 432.521 2.543 0 40 IFAB COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c(OC)c1 20237095 YEGWPOXHNBOANH-UHFFFAOYSA-N 428.894 2.771 0 40 IFAB O=C(O)C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 20463402 SPSFXWAIKQCUNY-VXKWHMMOSA-N 436.556 2.847 0 40 IFAB biogenic,in-vitro O[C@H](COC[C@H]1COc2ccccc2O1)CN1CCN(Cc2ccc(Cl)cc2)CC1 22030618 FQXSWLMJBJZVIL-SFTDATJTSA-N 432.948 2.675 0 40 IFAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 22789642 GFIGACQMRVJLQA-UHFFFAOYSA-N 436.921 2.596 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCCO2 22907530 NALFIDBDJCYHOZ-HXUWFJFHSA-N 447.491 2.905 0 40 IFAB O=C(NCCCOCC1CC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 24479435 KCCKRLDBBUUNCE-UHFFFAOYSA-N 446.525 2.805 0 40 IFAB COc1ccc(OC)c(-c2ccc(=O)n(CCc3nc(-c4ccc5c(c4)OCO5)no3)n2)c1 33309842 UYEVCUWZYJZFMR-UHFFFAOYSA-N 448.435 2.949 0 40 IFAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(C)cc2)CC1 35314535 YCOHIYTYHKCCQX-QFIPXVFZSA-N 440.519 2.994 0 40 IFAB CCOc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)cc1 38486649 AMQOLINERWIRBL-UHFFFAOYSA-N 443.467 2.842 0 40 IFAB CCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)c2ccccc2c1=O 40082426 KKXNAZJGOYGENB-UHFFFAOYSA-N 438.484 2.778 0 40 IFAB C[C@H](C(=O)OCC(=O)N(C)Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(F)cc1 40150466 WLHDXRDTHSIBPD-GFCCVEGCSA-N 445.871 2.982 0 40 IFAB COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O 44840997 XMBQDASQQINGEP-UHFFFAOYSA-N 446.301 2.601 0 40 IFAB O=C(Nc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1)C1CCC1 71850215 ARUSRADCFSLZQD-GOSISDBHSA-N 447.582 2.956 0 40 IFAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cscn4)CC3)n2)C1 72335947 LDBBQGKDVATVCC-CQSZACIVSA-N 449.602 2.593 0 40 IFAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 72340634 WIKNWPHUMJGSNO-HXUWFJFHSA-N 426.540 2.984 0 40 IFAB CC(C)NC(=O)c1ccc(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 78648341 WVAZKBJHLSVROF-UHFFFAOYSA-N 447.580 2.889 0 40 IFAB Cc1ccc(NC(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)cc1Cl 89643346 RIDDIXKPHPLXIS-UHFFFAOYSA-N 435.956 2.956 0 40 IFAB COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCc5ccccc54)n3)n2)cc1F 90592104 ZUCBFPNWTPOWLR-UHFFFAOYSA-N 447.426 2.697 0 40 IFAB COc1cc2nc(C)n(CCNC(=O)c3ccccc3Br)c(=O)c2cc1OC 95480377 RETAUDOPAVLXKD-UHFFFAOYSA-N 446.301 2.915 0 40 IFAB CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CC[C@](C)(C(=O)O)C2)cc1[N+](=O)[O-] 95970818 NVRPDXDRVJDFKK-QFIPXVFZSA-N 425.441 2.829 0 40 IFAB COc1ccccc1CNC(=O)c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1 96038420 BYAUYISWAZSLOW-UHFFFAOYSA-N 442.523 2.995 0 40 IFAB CCCSc1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 100738345 FASPYWQOXMLHPS-RTBURBONSA-N 441.601 2.971 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1 220491569 XLIHYAGLNOSBSV-OAHLLOKOSA-N 446.504 2.997 0 40 IFAB C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 223019145 WURLUGVTSODRQT-NSHDSACASA-N 445.360 2.961 0 40 IFAB CN([C@@H](C(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1)S(C)(=O)=O 224852223 GNWMBEQZVPOVCF-JOCHJYFZSA-N 429.586 2.921 0 40 IFAB O=C(C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2cnco2)C1)N1CCOCC1 257245371 IPEICHOECAGZGO-JOCHJYFZSA-N 447.919 2.878 0 40 IFAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 260846275 JXEJROWOUJXWMA-CYBMUJFWSA-N 444.912 2.837 0 40 IFAB C[C@H](NC(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 1564965557 HUWBUWVCDPVFRG-PXNSSMCTSA-N 435.528 2.625 0 40 IFAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)[C@@H](C)Oc4ccccc4F)CC3)n2)n1 1775971115 WDWDUSZYZHDRIB-QGZVFWFLSA-N 439.491 2.816 0 40 IFAB COc1ccccc1NC(=O)COC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 3290507 OTAKXXJRPHPSGT-KRWDZBQOSA-N 442.493 2.595 0 40 IFAB O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1c1ccccc1F)[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@H]31 4018781 ZAOKSCPLTUYESP-WSJAGSMOSA-N 434.398 2.692 0 40 IFAB CN(C)c1ccc(N2C(=S)N(Cc3ccc(F)cc3)[C@H]3[C@H]4OC(=O)[C@H](C[C@H]4O)[C@H]32)cc1 8253622 IZSVOMCQMOESOF-ONUIULTDSA-N 441.528 2.542 0 40 IFAB biogenic,in-vitro Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)c3ccccc3Br)cc21 8594285 WEASFTLVWALIJU-UHFFFAOYSA-N 445.317 2.728 0 40 IFAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 8724076 ZCOFSUAQKHIGMY-XMMPIXPASA-N 435.480 2.558 0 40 IFAB O=C1CN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c2ccccc2N1 8725931 DKMLPOJMZFLXLC-UHFFFAOYSA-N 448.552 2.941 0 40 IFAB CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8741818 KYIWLCVIVOVHDH-UHIISALHSA-N 425.201 2.575 0 40 IFAB COc1ccc(CCN2C(=O)C[C@@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1OC 8765100 KVMMSSAYJSFTIT-OAQYLSRUSA-N 433.508 2.913 0 40 IFAB biogenic CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@H](C(=O)O)c1ccccc1 8792090 XBPWLKPUHTUZBZ-ICSRJNTNSA-N 449.511 2.923 0 40 IFAB biogenic CCOC(=O)C1=C(CSc2nnc3nc(C)cc(C)n23)NC(=O)N[C@@H]1c1ccccc1 8828127 NOROMINJLOHAPJ-QGZVFWFLSA-N 438.513 2.705 0 40 IFAB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cccc(OC)c23)C1 8968775 FEEPHMIJCOVPOU-AWEZNQCLSA-N 431.489 2.567 0 40 IFAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2[C@H](C)CC)NC(=O)N[C@H]1C 9468180 CKSMBSDUOSJSCC-OLZOCXBDSA-N 430.530 2.978 0 40 IFAB COCCCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1C 9481653 MIYNOUXLSZVDHH-NRFANRHFSA-N 436.512 2.969 0 40 IFAB COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]45)[C@H]23)c(OC)c1 9488461 DJQFBGBNMUPCTC-VDKRJKRFSA-N 432.476 2.874 0 40 IFAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)OCc1ccccc1 9578414 LJKVVJGYERNECO-UHFFFAOYSA-N 447.520 2.932 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2cc3c(C)nn(CC(C)C)c3s2)NC(=O)N[C@@H]1C 9690600 QLESZEAAIBTNAP-GFCCVEGCSA-N 434.518 2.738 0 40 IFAB Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 9746589 VHUZOTKIHRDFEL-QGZVFWFLSA-N 435.571 2.745 0 40 IFAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(C(C)=O)cc1 9761851 KGCINCSNCOKNNH-UHFFFAOYSA-N 449.463 2.938 0 40 IFAB COc1cc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 9806166 XNSANHSZTMOTDZ-KRWDZBQOSA-N 448.541 2.604 0 40 IFAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCC2=O)cc1 9835191 NCGRSEPYBZABSM-UHFFFAOYSA-N 426.561 2.867 0 40 IFAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 9950116 OVSPIPMXTLNLID-UHFFFAOYSA-N 438.509 2.867 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1S(=O)(=O)N1CCCCC1 9984968 TYCOXYLFBRUHKK-UHFFFAOYSA-N 440.525 2.518 0 40 IFAB COc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)c(C)c3)nn2)cc1 10275797 RTFUCIBCFHOCOJ-UHFFFAOYSA-N 429.498 2.827 0 40 IFAB CCCCn1c(=O)n(CCOc2ccc(Cl)cc2)c(=O)c2c1nc(CO)n2CCC 10487647 AXWIHPVPQWGBCC-UHFFFAOYSA-N 434.924 2.795 0 40 IFAB NC(=O)COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 10661352 XYHIJPNYUQHQBO-UHFFFAOYSA-N 438.509 2.763 0 40 IFAB COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)cc1OC 11859154 PWOBWFHKKKSBMV-JJRVBVJISA-N 430.404 2.869 0 40 IFAB O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)c2c(nc(N3CCCCC3)[nH]c2=O)N1 12390428 VXSHZUMZTYMHOS-CYBMUJFWSA-N 446.305 2.587 0 40 IFAB COc1ccc(OCCN(C)Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)cc1 12526714 SBNGTFCAIURTRY-UHFFFAOYSA-N 425.514 2.694 0 40 IFAB CC(C)CN(C(=O)CN1c2ccccc2CC[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12608793 WVPOGDDERSZDQV-QGZVFWFLSA-N 441.576 2.605 0 40 IFAB CCCCOc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1 12626996 XFNZCBQZWGVXQG-UHFFFAOYSA-N 446.569 2.958 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccccc3C)CC2)c1 13056953 NXBLEGFHYVKWAK-UHFFFAOYSA-N 444.601 2.786 0 40 IFAB CCOC(=O)c1sc2nc(C)nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c1C 14330946 DFGVPWJRBIGIBI-OAHLLOKOSA-N 432.546 2.560 0 40 IFAB COc1ccccc1OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 14869056 WTBGLHANOIZNPL-UHFFFAOYSA-N 438.933 2.942 0 40 IFAB COc1ccccc1OCC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1 19701034 QKMQXZNMRGMZDP-UHFFFAOYSA-N 446.507 2.566 0 40 IFAB COc1cc2c(cc1CN1CCC(c3nc(C)c4c(n3)N(C)C(=O)CC4)CC1)OCCO2 19739350 LDMJRFDMEBWWFF-UHFFFAOYSA-N 438.528 2.853 0 40 IFAB O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 22263528 UPYJMQFACNVAMQ-UHFFFAOYSA-N 438.509 2.550 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 22356119 DZBYIURWNHNMTD-MRXNPFEDSA-N 444.557 2.893 0 40 IFAB O=C(CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1)NCc1ccccc1 24865205 SOULHQUXAHEDPP-UHFFFAOYSA-N 432.524 2.735 0 40 IFAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 31212837 VIHGVKOKEYVCOT-MRXNPFEDSA-N 435.977 2.825 0 40 IFAB CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@H]1c1ccc(Cl)cc1 31641327 CQTLEMXXJJXGOE-INIZCTEOSA-N 444.900 2.983 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 32777456 BHENMNRWDLTSLB-CQSZACIVSA-N 432.322 2.519 0 40 IFAB CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32899916 KPOPCGXMTXIMLO-QHAWAJNXSA-N 443.613 2.628 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccccc1 34689663 BGISHOOMUGWJPL-UHFFFAOYSA-N 439.537 2.906 0 40 IFAB Cn1c(OCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C 38139268 DGPWBQIRROIGLF-UHFFFAOYSA-N 435.267 2.961 0 40 IFAB CC(=O)Nc1nc(C(=O)NCc2ccnc(OCc3ccc4c(c3)OCO4)c2)cs1 48310022 DYTAMMPZBSPTDM-UHFFFAOYSA-N 426.454 2.734 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c(Cl)cccc23)c1 57111347 JKEKAYBVKOGFEB-QSXKMRPSSA-N 445.903 2.502 0 40 IFAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)C1 57485986 ZFTIXAMOMNXQLC-GASCZTMLSA-N 429.517 2.917 0 40 IFAB Cc1ccc(-c2nc(CCNS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cs2)cc1 58369076 RNYBJGBFWBFTLE-UHFFFAOYSA-N 429.523 2.970 0 40 IFAB COc1cccc(-c2cc3c(N4CCC(C(=O)NC[C@@H]5CCCO5)CC4)nccn3n2)c1 67263442 PBVCQPZIADRTPB-FQEVSTJZSA-N 435.528 2.917 0 40 IFAB COc1ccc(NC(=O)C2(NC(=O)c3cnc4c(c3)c(C)nn4C)CCCC2)cc1OC 72310321 GHLUKPHPHVJWIH-UHFFFAOYSA-N 437.500 2.975 0 40 IFAB CCCn1c(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3cnc(OC)nc3OC)C2)nc2ccccc21 72392610 LFVPSKIWQLXTKB-NVTAWBTOSA-N 437.544 2.983 0 40 IFAB O=S(=O)(N1CCCCC1)N1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 72396879 SKGKOWFGQGNQHH-UHFFFAOYSA-N 443.529 2.849 0 40 IFAB CS(=O)(=O)c1nc(C(=O)O[C@@H](CSc2ncn[nH]2)c2ccccc2)c2ccccn12 89493024 RNWXJVHSRGIUKS-HNNXBMFYSA-N 443.510 2.546 0 40 IFAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC1(O)CCS(=O)(=O)CC1)CC2 95427129 HHCRFNOZYLBUHQ-FQEVSTJZSA-N 437.583 2.653 0 40 IFAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)C=C2 96114260 YLDMLCJPWWOFEK-UHFFFAOYSA-N 442.468 2.724 0 40 IFAB biogenic Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c(Br)c1 96124148 LSWSKYPGCZDBEX-CQSZACIVSA-N 442.321 2.983 0 40 IFAB CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1c2sc(=O)[nH]c2SC[C@@]1(C)C(N)=O 96306077 JBIZMGMZXRGJME-ZUOKHONESA-N 444.538 2.528 0 40 IFAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCC[C@H]1C 102213512 IENXUKKITSQZFI-UWVAXJGDSA-N 436.574 2.959 0 40 IFAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)c1 220323654 LRXPXBVOYZKPAN-HNNXBMFYSA-N 446.504 2.997 0 40 IFAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1N1C(=O)CCC1=O 223861158 BXBCQGVJZPVKJN-INIZCTEOSA-N 444.509 2.929 0 40 IFAB Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2cccnc2)C1 248340684 VIDGOZLQULOMTE-YYFZDKIDSA-N 430.555 2.703 0 40 IFAB CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)c1F 253473899 ZNQCVUVVAHGYHS-GFCCVEGCSA-N 435.399 2.919 0 40 IFAB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=c1\sc2ncnn2c1=O 256055548 KVSKEKOAKLLNEB-MFOYZWKCSA-N 426.885 2.678 0 40 IFAB Cc1ncccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257248536 JECARZMTTOCHFT-GNKBHMEESA-N 436.600 2.609 0 40 IFAB CC(C)N1CC[C@@H](c2c(CNC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cnn2-c2ccccc2)C1 257276272 NTBHFSUZDNIRTC-WOJBJXKFSA-N 437.588 2.943 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1 408666680 RNEBORAFABGCGS-SYNMBVLASA-N 446.503 2.811 0 40 IFAB NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409249276 SWTHOBWRVUPDEC-CXUHLZMHSA-N 445.884 2.879 0 40 IFAB COC(=O)[C@H](NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)c1cccc(C(F)(F)F)c1 1583819576 NTCDYBDCOBECCH-RCCFBDPRSA-N 438.450 2.505 0 40 IFAB COC(=O)[C@@H](CNC(=O)[C@](C)(O)c1ccc(F)cc1)Oc1ccc(Br)cc1 1627224736 UDKAVTDUIRWPRT-VQIMIIECSA-N 440.265 2.533 0 40 IFAB COCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 5438697 BXNZQCSENLGWNT-NEUULRRLSA-N 446.507 2.520 0 40 IFAB biogenic,in-vitro CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)[C@@H]1CCS(=O)(=O)C1 6838784 TYKILEMHHKDAHO-SOUVJXGZSA-N 427.588 2.844 0 40 IFAB CCOC(=O)N1CCN(c2ncc3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 8590943 FHKARVRHSKYMOF-MRXNPFEDSA-N 440.500 2.685 0 40 IFAB CC1(C)CCc2c(cc(OCC(=O)NCCC(=O)O)c3c4c(c(=O)oc23)CCCC4)O1 8879000 BLZSRZSJBIUDCA-UHFFFAOYSA-N 429.469 2.745 0 40 IFAB biogenic CCN1C(=O)N(CC)C(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O 9242910 YRGCFURCLPFIRD-NRFANRHFSA-N 432.524 2.755 0 40 IFAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(N2CCOCC2)n1C1CC1 11774855 VUUGGXUFPQARJP-UHFFFAOYSA-N 427.983 2.915 0 40 IFAB Cn1nc(C2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)c2cccnc21 12186783 GVCMPNNRPXTLPX-UHFFFAOYSA-N 430.505 2.677 0 40 IFAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccsc2)c2cccnc2OC)CC1 12228950 VAMJYLQYTYJLCI-SFHVURJKSA-N 437.587 2.613 0 40 IFAB O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccc2c(c1)OCO2 12441662 XYWOVINFTTUIOU-UHFFFAOYSA-N 429.436 2.827 0 40 IFAB COCCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](C)N2C1=O 12880867 DWAPMTSAHUFLLD-XOBRGWDASA-N 432.480 2.999 0 40 IFAB biogenic COc1cc(OC)c(C2=CCN(S(=O)(=O)c3ccsc3C(=O)O)CC2)c(OC)c1 12974657 UBFNYCWACFPRJA-UHFFFAOYSA-N 439.511 2.950 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ncnc3ccccc23)ccc1C 13163598 OQVUZXXGIFZZIQ-UHFFFAOYSA-N 428.514 2.986 0 40 IFAB COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)N1CCCC1 14227736 KMHPVSJZLINTEZ-FQEVSTJZSA-N 431.558 2.512 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)NCCCn2nc(C)c(Br)c2C)cc1 14247468 BPTDSBVPLUVUTP-UHFFFAOYSA-N 429.340 2.589 0 40 IFAB COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c1 15359985 JZRDKLZVIJMHAA-INIZCTEOSA-N 439.486 2.914 0 40 IFAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 16044220 UPGDCOANBRNGHS-UHFFFAOYSA-N 448.504 2.888 0 40 IFAB O=C(CCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 17847236 VBPKVXPQXNTPRM-UHFFFAOYSA-N 440.565 2.812 0 40 IFAB CN(CC(=O)Nc1ccccc1Br)C(=O)CCN1C(=O)c2ccccc2C1=O 18019705 XKMVNOXMPNHTMA-UHFFFAOYSA-N 444.285 2.532 0 40 IFAB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 18219719 ZYQNSJJSVZYJKZ-LBPRGKRZSA-N 438.488 2.974 0 40 IFAB COc1ccc(CC(=O)N2CCC(O)(Cn3ncc4ccc(NC(C)=O)cc43)CC2)cc1 19022780 GGJMRXJEXAHEDI-UHFFFAOYSA-N 436.512 2.600 0 40 IFAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)C3CCCCC3)[nH]c2=O)C1 19404963 RXJDDFUGQMUIDP-FQEVSTJZSA-N 435.528 2.607 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3c(C)[nH]c4ccc(F)cc34)CC2)cc1 19581433 PUWSBFJMOVHNQK-NRFANRHFSA-N 447.532 2.664 0 40 IFAB COC(C)(C)C(=O)N(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19700959 GPDQLALRQPPHPS-OAHLLOKOSA-N 443.523 2.586 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1cccs1 20029414 OGSIYSLYFZJQBT-FQEVSTJZSA-N 444.532 2.881 0 40 IFAB O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 20737031 VFTPEYFHIYEPED-INIZCTEOSA-N 438.915 2.649 0 40 IFAB CCOC(=O)c1c(NC(=O)COc2ccc(-c3nnco3)cc2)sc(C(=O)NC)c1C 22698229 YTOWUQJQGSRIRA-UHFFFAOYSA-N 444.469 2.660 0 40 IFAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 22714414 UVWLROTVHJQRAY-UHFFFAOYSA-N 432.455 2.947 0 40 IFAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(Cc2ccncc2)CC1 23800883 YCIJMGALEVKUOL-UHFFFAOYSA-N 439.519 2.798 0 40 IFAB C[C@@H]1CCc2[nH]c3c(C(=O)N4CCN(c5ncnc6c5cnn6C)CC4)cccc3c2C1 30685952 QBQKXQMSJBEVRG-OAHLLOKOSA-N 429.528 2.932 0 40 IFAB C[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1cc2ccccc2o1 32745386 COUALHFXXJZSOR-GFCCVEGCSA-N 444.538 2.936 0 40 IFAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c2ccccc2O1 49643472 PNUCJYASGYPKPM-JPYJTQIMSA-N 443.503 2.972 0 40 IFAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)/C=C/c2ccccc2)c1 57313153 IZOFQGAPHRLPES-DHZHZOJOSA-N 438.553 2.751 0 40 IFAB COc1cc(Br)c(S(=O)(=O)NCc2cccc3c2OCCO3)cc1OC 58265537 IERJAQNZAOCYLL-UHFFFAOYSA-N 444.303 2.716 0 40 IFAB Nc1ccc(C(=O)N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)cn1 72352245 XKQJHMNEHRTWON-INIZCTEOSA-N 436.537 2.981 0 40 IFAB Cc1oc(C)c(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1Br 84008225 FCRJTNWWCKGJAU-SWLSCSKDSA-N 429.311 2.564 0 40 IFAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC 96117461 SZIHFBLUVNTRST-AWEZNQCLSA-N 440.481 2.763 0 40 IFAB CC(C)CN1CC2(CCN(C(=O)NCc3cccc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 96144227 CGWDNEFECHDMPO-XMMPIXPASA-N 430.568 2.938 0 40 IFAB C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1)c1ccccc1 96225756 IILNLLYSRZPFQV-AOMKIAJQSA-N 445.516 2.655 0 40 IFAB COc1ccc(OC)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 107798429 CNQZYONCEPEHGW-LLVKDONJSA-N 443.319 2.772 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1 206772091 PDWUTZYKWHRYBG-QGZVFWFLSA-N 442.541 2.508 0 40 IFAB Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc(=O)o1 206976768 JXZUCZUYQYSEJV-UHFFFAOYSA-N 428.304 2.943 0 40 IFAB CN(CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 219254824 WPXNAMPBEDXJTB-UHFFFAOYSA-N 433.549 2.620 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222463029 OMIHXDWZTRXBTD-IBGZPJMESA-N 445.585 2.541 0 40 IFAB COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 224351575 GOIYIDYQSKCNSW-UHFFFAOYSA-N 446.569 2.741 0 40 IFAB CN(c1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1)S(C)(=O)=O 225743159 BUJQUBCOGQBEAQ-UHFFFAOYSA-N 432.615 2.817 0 40 IFAB O=C1c2ccccc2NNN1C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)CC1 238924308 RWLWAQLSBMJNMS-OPMHRUBESA-N 428.533 2.788 0 40 IFAB CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccn12 306141419 VVMZYYZNKGSIEG-HXUWFJFHSA-N 447.543 2.510 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408704985 WRJBHIRREAJVRQ-UHFFFAOYSA-N 448.497 2.777 0 40 IFAB C[C@@H](NC(=O)c1ccc2nnc(O)n2c1)c1ccccc1NS(=O)(=O)c1cccs1 536521270 GJNBGDIJJAZIAM-GFCCVEGCSA-N 443.510 2.788 0 40 IFAB COc1cc(CCC(=O)N2CCc3[nH]nc(-c4cccc5c4CN(C)C5)c3CC2)ccn1 585110324 GBQCDXXWIDFXGG-UHFFFAOYSA-N 431.540 2.986 0 40 IFAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1 667381 GIDFTSPCKXBXIU-MRXNPFEDSA-N 432.542 2.982 0 40 IFAB O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21)NC1CCCCC1 922402 ADHNPAFWSIQVQZ-UHFFFAOYSA-N 449.511 2.638 0 40 IFAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(OC)c2OC)C1=O 2153973 FBGWZWQCXNNUPZ-CVDCTZTESA-N 449.507 2.516 0 40 IFAB biogenic CC(=O)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 3296286 DMNMSYQSYODMFQ-UHFFFAOYSA-N 438.889 2.588 0 40 IFAB CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 3489469 JEXIMPHCVJQTDF-UHFFFAOYSA-N 441.513 2.889 0 40 IFAB CCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6501278 VQHTXHNABTYCEO-CQSZACIVSA-N 431.562 2.550 0 40 IFAB O=C(c1ccc(N2CCN(C3=CC(=O)N(c4ccccc4)C3=O)CC2)cc1)c1cccnc1 8771814 CNKFCRLMNWSWAO-UHFFFAOYSA-N 438.487 2.892 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc(CC(N)=O)cs3)c2)cc1 9377639 HAJJTCRZYNILFK-UHFFFAOYSA-N 444.538 2.841 0 40 IFAB CCOc1ccc(OCCOC(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)cc1 9632981 HJAWEWQRFQZNHE-UHFFFAOYSA-N 437.514 2.775 0 40 IFAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)Nc1cccc(F)c1 9761870 BXZXYVDCWQISSM-UHFFFAOYSA-N 429.379 2.705 0 40 IFAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 9980120 AECQWYADVGEEMG-OAHLLOKOSA-N 436.555 2.649 0 40 IFAB Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1Cl 11904651 PHWNCWBZJQJGRF-UHFFFAOYSA-N 428.919 2.824 0 40 IFAB CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(OC)c(OC)c2)[nH]c1=O 12128016 DJBVSZCAILQLFA-UHFFFAOYSA-N 437.500 2.902 0 40 IFAB COc1cc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c(C)cc1C 12224969 BQOCHGPXBLZUBB-UHFFFAOYSA-N 434.562 2.709 0 40 IFAB COC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccccc3C)c(=O)cc2CO)cc1 12231276 RUSGGHFLWIFCJF-UHFFFAOYSA-N 436.464 2.653 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)C3CC3)CC2)sc2c1CC[C@H](C)C2 12747975 FXFWLDRGSDCGFE-AWEZNQCLSA-N 433.574 2.542 0 40 IFAB COc1ccc(-c2nnc3ccc(OCCNC(=O)COc4ccc(C)c(C)c4)nn23)cc1 13706115 ZHVYXPSEIIKTIE-UHFFFAOYSA-N 447.495 2.991 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 14136793 MTWATUVKNNGBBA-JOCHJYFZSA-N 438.509 2.597 0 40 IFAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCCCO3)C1 19020860 OMIWOEQSZGZDNP-UWJYYQICSA-N 429.542 2.963 0 40 IFAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)CC[C@H]5CCCO5)CC4)nn3c(O)c2C1 19448145 LWKYKXFWPCUQID-GOSISDBHSA-N 441.576 2.867 0 40 IFAB CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699485 PXDZQPBHEIRAHY-UHFFFAOYSA-N 426.561 2.610 0 40 IFAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2c(C)n[nH]c2C)nc2c1CCC(=O)N2CC(C)C 19741941 BCVQJILTPDCKFI-KRWDZBQOSA-N 446.577 2.586 0 40 IFAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 22271291 HWTWOVSBDBJTGP-QFIPXVFZSA-N 439.537 2.686 0 40 IFAB O=C(Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2F)n1)NCc1cccs1 23145289 SHAAMSJQZKOEFO-UHFFFAOYSA-N 432.502 2.560 0 40 IFAB COc1ccc(CN2CCN(Cn3nc(-c4ccncc4)n(C)c3=S)CC2)cc1OC 23257469 WGOMKRZOTXGLNU-UHFFFAOYSA-N 440.573 2.806 0 40 IFAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 24858130 UMAAUGBKXJHWCW-WIYYLYMNSA-N 442.471 2.850 0 40 IFAB COc1cc(OC)c(C2=CCN(C(=O)c3nn(C)c(=O)c4ccccc34)CC2)c(OC)c1 26001490 HCEISNWQRXGYJF-UHFFFAOYSA-N 435.480 2.889 0 40 IFAB COc1ccc(CSc2nnc(Nc3ccc4c(c3)OCO4)c(=O)n2C)cc1OC 28537943 NIJNSWIHFLILEF-UHFFFAOYSA-N 428.470 2.957 0 40 IFAB CC(C)(C)OC(=O)C(=O)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F 32101436 WVSGZTPOEXDOHI-OAHLLOKOSA-N 437.212 2.978 0 40 IFAB COC[C@@H](C)NC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616031 KXPZMFRZTSSLHS-OCCSQVGLSA-N 448.570 2.593 0 40 IFAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)O2 38853820 IWNBTGXSESQSRY-FQEVSTJZSA-N 446.525 2.921 0 40 IFAB CC(=O)c1cccc(OC[C@H](O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)c1 40050652 VCNFEASNCDQVJS-IEBWSBKVSA-N 442.537 2.656 0 40 IFAB CC(C)c1cccc(N2C[C@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)c1 40058961 UHGRUEZUMHDLLT-GOSISDBHSA-N 440.544 2.534 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 40159116 AYXMUKNHXZBMML-QWHCGFSZSA-N 440.905 2.586 0 40 IFAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)CC1 44949458 HVJJJOFMHHUIOC-UHFFFAOYSA-N 429.542 2.641 0 40 IFAB COc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCOCC2)c2cccnc12 48332813 JBPHTXMDRQSWIE-LJQANCHMSA-N 427.526 2.595 0 40 IFAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 49406187 JTCLCPQNEXNKIH-UHFFFAOYSA-N 439.903 2.964 0 40 IFAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 56997903 ZFOHOPMPMFJIIW-UHFFFAOYSA-N 430.936 2.534 0 40 IFAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1 61939564 LAQBINWQKGULBD-UHFFFAOYSA-N 435.933 2.770 0 40 IFAB COc1cc(C)c(S(=O)(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1C 90607964 IPMVIJDKLGZXCF-UHFFFAOYSA-N 442.545 2.939 0 40 IFAB COc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)CCC(=O)O)cc3)C2=O)cc1 112290128 AKHKHMIEPXUMIY-QGZVFWFLSA-N 428.466 2.923 0 40 IFAB CN1CCC(NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 113941396 SWQCJTCYOABOOI-UHFFFAOYSA-N 439.940 2.885 0 40 IFAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220221297 FNOWQDSCCQSFDF-HNNXBMFYSA-N 436.530 2.573 0 40 IFAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(C)c(C)c1 223188980 XYJMFGKSDXFPBH-UHFFFAOYSA-N 432.542 2.904 0 40 IFAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224228885 ZRCDUUHOYWMNFN-CQSZACIVSA-N 426.922 2.553 0 40 IFAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224695682 HQGVNJZJXQCLBO-NRSPTQNISA-N 439.556 2.580 0 40 IFAB COc1ccccc1CNC(=S)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 225210492 VICMQUNIHITABG-UHFFFAOYSA-N 435.571 2.975 0 40 IFAB COC[C@@H](C)NC(=O)CN1[C@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 253377651 XSKBOMNEVJSEBN-KUDFPVQQSA-N 435.528 2.618 0 40 IFAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccccc4)C3)nc2n(Cc2ccccc2)c1=O 257226027 FIVAMJOUWZKLNS-FQEVSTJZSA-N 440.503 2.773 0 40 IFAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 257251148 JPPMPESDTHOFDS-DEOSSOPVSA-N 449.595 2.811 0 40 IFAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 257299392 RPWVTYKPZYPWQQ-VWLOTQADSA-N 438.572 2.546 0 40 IFAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 408610080 UWEHSQBCBJRUHJ-QGZVFWFLSA-N 449.548 2.629 0 40 IFAB COC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408623299 PYGLYESATYAPKJ-HNNXBMFYSA-N 440.949 2.691 0 40 IFAB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 408659197 MGQZJGMOWGKSJH-BGYRXZFFSA-N 434.448 2.946 0 40 IFAB Cc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1C 408667533 UHVHIBCOKNYCIX-KHDMTIDOSA-N 426.513 2.841 0 40 IFAB Cc1noc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 604404852 HEEBIORQLSQJNC-NRFANRHFSA-N 431.452 2.589 0 40 IFAB biogenic Cc1ccc(/C=c2/s/c(=C\C(=O)C(C)(C)C)n(CC(=O)N3CCC(C)CC3)c2=O)s1 3300293 MBIIDKVOJWKGPO-CEGBMMJRSA-N 446.638 2.763 0 40 IFAB CCCN(C(=O)CCc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3361092 OZEPMPQARBYDSO-UHFFFAOYSA-N 436.512 2.552 0 40 IFAB O=c1c2ccccc2nc(SCc2cc(=O)n3ccsc3n2)n1C[C@@H]1CCCO1 3533991 OXHZMELUEPSKCP-AWEZNQCLSA-N 426.523 2.937 0 40 IFAB C[C@H](NC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1 6283106 JVFBRSZEPPIUOX-HNNXBMFYSA-N 439.537 2.729 0 40 IFAB O=C1[C@@H]2C3C=CC([C@H]2C(=O)N1c1ccc(F)cc1)[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]31 8667415 ZKXHQSHCOVDPJB-CVUDOADXSA-N 434.398 2.692 0 40 IFAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8708318 CPJNDXPRQYSZQY-JTQLQIEISA-N 438.406 2.626 0 40 IFAB CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)Oc1ccc(Br)cc1 8834421 WLZITUKKHHQEKY-JAAXMTQOSA-N 429.263 2.751 0 40 IFAB COCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 9297212 RWMCFWYPCRDZFD-UHFFFAOYSA-N 429.908 2.504 0 40 IFAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCCC1)Cc1cccnc1 9418656 SEIFDSHEXFYAED-UHFFFAOYSA-N 440.953 2.500 0 40 IFAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1cccc(F)c1 9519627 LUSREBPUXDOXRJ-UHFFFAOYSA-N 443.500 2.815 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2COc3ccccc3O2)c1 9632474 BGOGVUWUZHPGOU-AWEZNQCLSA-N 438.933 2.940 0 40 IFAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 9684746 ZBXLXGBVHFPTPP-UHFFFAOYSA-N 438.444 2.855 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccnn1Cc1cccs1 9764509 YSOUUVHPBYUYPQ-JOCHJYFZSA-N 435.509 2.715 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 9813949 DQAINGNSQKYXQX-UHFFFAOYSA-N 442.518 2.957 0 40 IFAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 10010152 OJPHROHXVTYSEA-UHFFFAOYSA-N 445.610 2.912 0 40 IFAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1NS(C)(=O)=O 10112992 XNXMUOCAWBVRMH-MRXNPFEDSA-N 431.514 2.528 0 40 IFAB COc1ccc([C@H]2CCCN2CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c(OC)c1 10907708 MVUVACZHHSWNTF-MRXNPFEDSA-N 426.473 2.926 0 40 IFAB CC(C)c1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)n1Cc1ccco1 10933573 BHQFKQNZUIUDAO-UHFFFAOYSA-N 432.527 2.980 0 40 IFAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)nn2c1O 12154103 JQPIOCLOKGWGDU-QRWLVFNGSA-N 446.511 2.940 0 40 IFAB Cc1c(F)cccc1NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCOCC1 12372500 OJQQRQPUKWRDAJ-UHFFFAOYSA-N 442.896 2.826 0 40 IFAB C[C@H]1Cc2cc(C(=O)N[C@H](c3ccccc3F)c3nccn3C)ccc2N1S(C)(=O)=O 12519859 GRUVPEPMQBUPJK-VBKZILBWSA-N 442.516 2.789 0 40 IFAB CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)ccc1Cl 12656837 XEGATOUSXFHAJA-UHFFFAOYSA-N 446.312 2.621 0 40 IFAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)CC(=O)Nc1ccccc1Cl 12937170 GWMPSFYAVDPKRB-GOSISDBHSA-N 428.964 2.943 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 13120172 ZJESSKAIBBQHQD-QFIPXVFZSA-N 442.585 2.633 0 40 IFAB Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)N(C)C 13129775 HPVMFKIUODBLTI-UHFFFAOYSA-N 443.525 2.841 0 40 IFAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 14014578 HCJQMTPSYMGJIH-OAQYLSRUSA-N 425.529 2.630 0 40 IFAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1=O 15842784 ASIZMWBUGBZPAJ-HNNXBMFYSA-N 447.944 2.615 0 40 IFAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 16104257 XBAMMEPXCNYVHW-AWEZNQCLSA-N 428.388 2.939 0 40 IFAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)c1ccc(Cl)cc1 17170303 SVVWBBVDKYDSKB-UHFFFAOYSA-N 449.850 2.872 0 40 IFAB CN(C)C(=O)[C@H](OC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1 17480965 LPLYAUKVAFJPRA-OAHLLOKOSA-N 431.297 2.627 0 40 IFAB COCCC(=O)N1CCC(c2nc(N(C)C)ncc2-c2c(OC)cccc2OC)CC1 19695213 ISMTVHXICLIJHO-UHFFFAOYSA-N 428.533 2.969 0 40 IFAB Cc1nc([C@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738965 DQDPTFQNWIYSLZ-FQEVSTJZSA-N 444.539 2.520 0 40 IFAB CN(C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O)[C@@H]1CCCc2ccccc21 24880215 OMNICZKCIXGDNU-CLOONOSVSA-N 449.507 2.804 0 40 IFAB CCOC(=O)C1=C(CN2CCO[C@@H](c3ccc(F)cc3)C2)NC(=O)N[C@@H]1c1ccco1 29539257 NJFLXUQZVZHYAB-UYAOXDASSA-N 429.448 2.663 0 40 IFAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30756576 YYDBBCJKXPMHCV-HXUWFJFHSA-N 444.553 2.706 0 40 IFAB CCCCc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 32615754 WPQQKVBQXUQZNP-UHFFFAOYSA-N 443.507 2.934 0 40 IFAB CS(=O)(=O)N1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 32819251 WYMHXQUPZGPFIN-UHFFFAOYSA-N 430.555 2.573 0 40 IFAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 34856280 BQHWGUKQMARFEC-GQEMFKIVSA-N 425.554 2.583 0 40 IFAB O=C(CCCc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 40086963 RXTYYJNKEMTLPQ-UHFFFAOYSA-N 430.505 2.558 0 40 IFAB CNC(=O)c1cc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)ccc1Cl 40151959 ZEVMFLFXVIYUHF-LAJNKCICSA-N 434.924 2.775 0 40 IFAB CC(C)NC[C@H](O)COc1ccc(Cc2ccc(OC[C@H](O)CNC(C)C)cc2)cc1 45335180 MNVJIHMQUQYNOM-ZRZAMGCNSA-N 430.589 2.753 0 40 IFAB in-vitro CCCNC(=O)c1ccc2c(c1)ncc(=O)n2CC(=O)Nc1cccc(Br)c1 49008008 URVANHFCBPHFRP-UHFFFAOYSA-N 443.301 2.938 0 40 IFAB COc1ccc(CCNC(=O)CN2CCC(c3nnc(-c4ccco4)o3)CC2)cc1OC 49372043 HZUDGNAFFOFQQN-UHFFFAOYSA-N 440.500 2.885 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 57383518 QOXTVKDYZNMYNH-QGZVFWFLSA-N 431.558 2.987 0 40 IFAB Nc1nc(N)nc(COC(=O)c2cccnc2SCc2ccc(Br)cc2)n1 58888782 QHZJGEVXWAEMGC-UHFFFAOYSA-N 447.318 2.843 0 40 IFAB Cc1nc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)cn1C 71890420 PIBNWRUNGTZCQH-MRXNPFEDSA-N 431.493 2.876 0 40 IFAB Cn1cnc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccc3[nH]c(=O)[nH]c3c2)c1Cl 72290515 QDRVINFOXUYYKU-UHFFFAOYSA-N 435.868 2.778 0 40 IFAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)nc2c1CNCC2 72372311 VNLMIAVYKHKNGJ-SFHVURJKSA-N 445.589 2.705 0 40 IFAB Nc1cc(C2CCN(c3cnn(-c4ccc(C(F)(F)F)cn4)c(=O)c3Cl)CC2)n[nH]1 79023820 HDHYEMVMBHDHEV-UHFFFAOYSA-N 439.829 2.989 0 40 IFAB CCCN(CCNC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O)C(=O)OC(C)(C)C 89958906 GXVJKRKSUVBVBR-UHFFFAOYSA-N 433.553 2.574 0 40 IFAB CS(=O)(=O)c1cc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(F)c2)c(Cl)s1 96004205 BDPZXIBPDWWEEZ-UHFFFAOYSA-N 435.911 2.931 0 40 IFAB CN1CC[C@@]2(C(=O)Nc3ccccc3)CCN(S(=O)(=O)Cc3ccccc3)CC[C@@H]12 96145281 IKPMIFNRHMYYLK-FYYLOGMGSA-N 427.570 2.941 0 40 IFAB CCO[C@@H](C)c1noc(CN2CCCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)n1 107145850 HGCNSMNQQXXFPJ-MOPGFXCFSA-N 429.565 2.722 0 40 IFAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 113872949 NAERPDPDHLTXJH-UHFFFAOYSA-N 426.878 2.675 0 40 IFAB O=C(Nc1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1 203862464 NYNZQNWKBKUAII-KSSFIOAISA-N 428.443 2.948 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222458360 BINTYDIDQKQILE-IBGZPJMESA-N 445.585 2.541 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2c(OC)cccc2OC)cc1 222883802 JEYVCPZBFKXIFJ-UHFFFAOYSA-N 434.558 2.983 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)COc1ccccc1C 223607829 XWGJNXBEVFEPBT-QGZVFWFLSA-N 434.558 2.770 0 40 IFAB COc1ccccc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223821158 LSTJDRBWXNHUGQ-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 224403821 RKHNQTTVXKLGRT-UHFFFAOYSA-N 432.527 2.628 0 40 IFAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224715589 IPSARXARFIBRMJ-IBGZPJMESA-N 445.585 2.705 0 40 IFAB CCOc1cc(C=c2sc3nc(-c4ccccc4OC)nn3c2=O)ccc1OC(C)=O 254677445 JGMWXIVOZDHEKY-UHFFFAOYSA-N 437.477 2.698 0 40 IFAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc4c(c3)nc(C)n4C)C2)c2cnccc2n1 257314125 UVKRZSYNVFYSFO-VWLOTQADSA-N 444.539 2.847 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSC3CCCC3)C2)cc1 260790528 COLWNAKNRBCXKY-INIZCTEOSA-N 426.604 2.888 0 40 IFAB COc1ccc(CN2CCO[C@@H](Cn3nnc4c(Nc5ccccc5)ncnc43)C2)cc1 306131214 JYRUCQFLSDAJEM-HXUWFJFHSA-N 431.500 2.875 0 40 IFAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Br)cc1 408619247 GVTQLCBUARJKGV-UHFFFAOYSA-N 441.303 2.578 0 40 IFAB COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1OC 409209995 HQLKDPRVSLGHRL-YNUIFBACSA-N 440.905 2.689 0 40 IFAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)c(C)cc1OC 409215181 XXZWABFMJQOOFP-YQYFLZKSSA-N 434.514 2.734 0 40 IFAB COc1cc2c3c(c1)C(CN1CCN(C(=O)OC(C)(C)C)CC1)=CC(C)(C)N3C(=O)C2=O 584906322 ZLIVJZSNRDZSSL-UHFFFAOYSA-N 441.528 2.953 0 40 IFAB COc1cc(C(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)cc(OC)c1OC 1888994973 XSBHQIRLDRUQSC-CALCHBBNSA-N 436.512 2.808 0 40 IFAB CCn1c(O)c(C(=O)NNC(=O)c2ccc(Br)cc2)c(=O)c2ccccc21 805532 VGUMLUYFHXGCMD-UHFFFAOYSA-N 430.258 2.564 0 40 IFAB COc1ccc([C@@H]2NC(=S)N3[C@H](c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC 1716095 IFSLBHIBVNZLNQ-QZTJIDSGSA-N 446.554 2.714 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1C 2105349 MLRFPBSLKXMWGQ-IBGZPJMESA-N 439.464 2.869 0 40 IFAB biogenic COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3515943 ZZJVVWWWHGABEF-SECBINFHSA-N 447.296 2.833 0 40 IFAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCN(C(=O)c2ccco2)CC1 4164717 TUCDLBLAMFMQMH-UHFFFAOYSA-N 428.460 2.758 0 40 IFAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(N1CCCCC1)n2Cc1ccccc1 8926253 GXSCLEHSRSDWTQ-UHFFFAOYSA-N 429.524 2.984 0 40 IFAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1C 9128601 NPPSJTYVTMYMRZ-ZDUSSCGKSA-N 430.482 2.996 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2ccco2)c1 9224232 RNGHNQAGOMABAR-UHFFFAOYSA-N 435.546 2.718 0 40 IFAB COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 9262503 VAIOWRKLDOUYDW-NSHDSACASA-N 432.531 2.502 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 9341442 ORZLKSXTUZGZDJ-OAQYLSRUSA-N 431.533 2.636 0 40 IFAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1OC 9391044 YCRMEHZGZMCACB-UHFFFAOYSA-N 436.559 2.841 0 40 IFAB Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1Br 9586122 YNGIAZASVQJXTL-UHFFFAOYSA-N 444.314 2.810 0 40 IFAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9766636 NKFPTUPIGVBLKN-LJQANCHMSA-N 433.599 2.559 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041423 KJCJMASMPPIFER-LLVKDONJSA-N 441.303 2.541 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCCC2)cc1 10281399 ZDEJWKHLCKGTIC-UHFFFAOYSA-N 429.586 2.918 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10329610 OXVNKGVIGZPRCG-UHFFFAOYSA-N 439.559 2.649 0 40 IFAB COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc(OC)c1OCC(N)=O 11075674 OMPIEPCHRQQJMN-UHFFFAOYSA-N 435.480 2.979 0 40 IFAB CN1CC[C@]2(CCC1=O)CN(CC(=O)N(C)C1CCCCC1)C(=O)c1ccccc1O2 12086692 XLZDLWCYPKFMNP-XMMPIXPASA-N 427.545 2.693 0 40 IFAB Cn1/c(=N\C(=O)CCCS(=O)(=O)Cc2ccccc2)sc2cc3c(cc21)OCCO3 12373910 SGPXACFIFOHKHV-QURGRASLSA-N 446.550 2.834 0 40 IFAB CCOC(=O)N1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1 12525797 HILGSARWIYQKNJ-UHFFFAOYSA-N 437.543 2.900 0 40 IFAB O=C(CCNS(=O)(=O)c1cccnc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 12545996 IEHTUYHNFZFFPQ-UHFFFAOYSA-N 436.489 2.747 0 40 IFAB CCn1c(CCC(N)=O)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S 12555436 VWMNEQRDGGPREQ-UHFFFAOYSA-N 442.511 2.650 0 40 IFAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 12778150 HDCRUYQWBFPNPK-UHFFFAOYSA-N 436.917 2.648 0 40 IFAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 13117508 CYPHQWAAJLDWFZ-AWEZNQCLSA-N 434.568 2.846 0 40 IFAB Cc1cc(C)n2nc(CC(=O)N3CCC[C@H]([C@H]4CC(=O)c5cc(F)ccc5O4)C3)nc2n1 13225756 AOOZIINSVDTSMJ-MGPUTAFESA-N 437.475 2.695 0 40 IFAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 13298452 VXFJYXUZANRPDJ-RQSWOZRGSA-N 430.545 2.773 0 40 IFAB in-man O=C(Cc1ccccc1)NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 14121345 KWFMWMGAKHXODZ-UHFFFAOYSA-N 429.542 2.549 0 40 IFAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 14423221 WSJYGYDMSPLQBN-UHFFFAOYSA-N 443.569 2.675 0 40 IFAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(CS(=O)(=O)c2ccccc2)o1 14866878 BRVIMRHCDRFLOK-UHFFFAOYSA-N 427.478 2.997 0 40 IFAB CCN1C(=O)C[C@@H](N2CCN(c3ccc(C(=O)c4cccc(Cl)c4)cc3)CC2)C1=O 15084340 BPBSJVIPXDYRGD-HXUWFJFHSA-N 425.916 2.840 0 40 IFAB COc1cccc2c(=O)c(C(=O)N3CCC[C@H](c4cc5nc(C)cc(O)n5n4)C3)c[nH]c12 19116781 HNZBLHVTFXDXRD-AWEZNQCLSA-N 433.468 2.613 0 40 IFAB O=C1C[C@@H](C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)C2(CCCC2)O1 19292048 BOJXCDYHPGNIRR-ZDUSSCGKSA-N 437.422 2.725 0 40 IFAB O=C(c1cccnc1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19337508 BDFNVOAMHCFDCY-KRWDZBQOSA-N 435.553 2.805 0 40 IFAB O=C(c1cscn1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 19405685 XZGWFBBYAIGUJG-KRWDZBQOSA-N 436.541 2.852 0 40 IFAB O=C(c1ccccc1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699496 SXGBMPKQJCNDIW-UHFFFAOYSA-N 446.551 2.878 0 40 IFAB C[C@@H](CNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCCCCC1 19748200 HBSBNJVSLRUOOC-SFHVURJKSA-N 439.597 2.997 0 40 IFAB CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1 19760476 FNROXJLWXLYIPC-HXUWFJFHSA-N 442.995 2.711 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC 20013037 FGQPFFIOYBPWPP-ZDUSSCGKSA-N 426.922 2.855 0 40 IFAB COc1ccc(OCc2nc3c4c(C)c(C)n(CCN5CCOCC5)c4ncn3n2)cc1 20573503 PAVNLDHPEIUVCL-UHFFFAOYSA-N 436.516 2.616 0 40 IFAB CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O)CCCC2 21602442 GZQYRYSVDRYGFU-VIFPVBQESA-N 435.527 2.930 0 40 IFAB CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCCc2ccccc21 24071573 PHLKAIQDAYKRCZ-OAQYLSRUSA-N 445.560 2.668 0 40 IFAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c1 27643276 JIAUVVOSMWFZRQ-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 28645714 DJERBQXDUZIDHB-HXUWFJFHSA-N 429.524 2.831 0 40 IFAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 31040792 YMRUOBOHGDHUGN-DEOSSOPVSA-N 448.479 2.675 0 40 IFAB COC(=O)c1ccc(NC(=O)CN2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 32927345 NHQVSYLIQOIGLK-QGZVFWFLSA-N 449.511 2.841 0 40 IFAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 36369900 XNNCOHOQOQKCPM-FQEVSTJZSA-N 437.456 2.788 0 40 IFAB biogenic COc1ccc(OC[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 44883747 HUAJMPTVTUHSTI-OAHLLOKOSA-N 438.571 2.741 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)c(OC)c1 57426618 QMDATCOJIMHKPF-UHFFFAOYSA-N 431.514 2.927 0 40 IFAB CC(=O)N1CCC[C@@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 72337885 FCRIDGYCOYMMEJ-NRYAXDJKSA-N 428.577 2.573 0 40 IFAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)C3)CC1 72371960 ZIJZLJUPNIXUSL-UHFFFAOYSA-N 444.539 2.968 0 40 IFAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3ccccn3)CC2)C1 72372441 ATGJUSQJZRHWNH-OAQYLSRUSA-N 448.567 2.758 0 40 IFAB CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 102855991 KBYNEFDHULKTTC-WECLEZBMSA-N 434.334 2.624 0 40 IFAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1=O 108883354 RVKCMPYSZJYMFU-NYLIBXOJSA-N 428.529 2.921 0 40 IFAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 222811140 ILYXTRQYOHTYEO-CQSZACIVSA-N 435.318 3.000 0 40 IFAB COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCOCC2)cc1 223427667 QKNRYQSQSXNOSZ-UHFFFAOYSA-N 434.514 2.898 0 40 IFAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccc(C)cc4O3)s2)cc1 223902691 XBFFRLXUMGTDFW-QGZVFWFLSA-N 444.538 2.988 0 40 IFAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1C(=O)N1CCCC1 224031035 YIWRMIAVSSFYKK-UHFFFAOYSA-N 432.542 2.905 0 40 IFAB Cc1cccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C 224340766 BQRZMRVHVSUFSX-UHFFFAOYSA-N 432.542 2.662 0 40 IFAB COc1ccccc1N(CCCC(=O)NCCCN1CCc2ccccc21)S(C)(=O)=O 224421501 XFQFCUHULXJSBF-UHFFFAOYSA-N 445.585 2.810 0 40 IFAB C[C@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1cccc(F)c1)S(C)(=O)=O 224630920 NIGZYJYIGBYSKF-QGZVFWFLSA-N 433.549 2.892 0 40 IFAB COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 238926727 USCICJNYRLMWOS-UHFFFAOYSA-N 433.921 2.858 0 40 IFAB N[C@]1(C(=O)O)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515215 HWWKMWIHOCUIIC-IIAWOOMASA-N 430.707 2.824 0 40 IFAB O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(CCN(Cc2ccoc2)CC1)C3 306128744 HJKHGNMYTMMNSE-UHFFFAOYSA-N 444.535 2.873 0 40 IFAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390830796 NMQXWZJALRATTH-INIZCTEOSA-N 431.510 2.789 0 40 IFAB Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 408656705 OBUJAESANCYXQK-OAHLLOKOSA-N 443.887 2.632 0 40 IFAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)Cc2ccccc2)cc1 409389535 QGQPFQZXZUAQDO-UHFFFAOYSA-N 434.558 2.817 0 40 IFAB CC(=O)c1cccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)c1 409409283 GTUKRDBVDFHTPM-UHFFFAOYSA-N 449.960 2.657 0 40 IFAB COC(=O)c1ccc(CNC(=O)C[C@H](c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)o1 1547138559 NDZONWKHTFHWCL-QGZVFWFLSA-N 441.436 2.880 0 40 IFAB biogenic Cc1c(C(=O)N(C)C2CN(c3ccc4nnc(C(C)(C)C)n4n3)C2)cnn1-c1ccccc1 1565523376 MKWLMZVDEXZZBG-UHFFFAOYSA-N 444.543 2.877 0 40 IFAB NC(=O)c1cc2cc(NC(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)ccc2[nH]1 1663946393 ZZMOYUWTQZFDMS-CQSZACIVSA-N 436.390 2.847 0 40 IFAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCN(c2ccccc2)CC1 1775966796 ZQWMQUNVSKDFFG-UHFFFAOYSA-N 448.914 2.584 0 40 IFAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1 1888866744 CPURDQYUQSQSDT-JKSUJKDBSA-N 443.573 2.604 0 40 IFAB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(NS(=O)(=O)N(C)C)nc3N2)cc1 2399866 XODATGTZVGDIOF-MSOLQXFVSA-N 428.518 2.651 0 40 IFAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 3511383 PKIHJQFVUYJVQK-OAHLLOKOSA-N 432.498 2.664 0 40 IFAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)C1 5864129 KNXSSHDKRMHERT-MRXNPFEDSA-N 425.485 2.592 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1Cl 6090182 GEBRGNGSQBWNOF-UHFFFAOYSA-N 437.949 2.851 0 40 IFAB CC1(C)CCc2c(cc(OCC(=O)NCCc3c[nH]cn3)c3c4c(c(=O)oc23)CCC4)O1 8791939 SWGMQXJHJUHMOJ-UHFFFAOYSA-N 437.496 2.846 0 40 IFAB biogenic C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 8792027 SPJPWVUCMREPHV-GUYCJALGSA-N 427.888 2.762 0 40 IFAB biogenic Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2)o1 8815927 JJUIPBHWJSKISU-UHFFFAOYSA-N 433.511 2.773 0 40 IFAB O=C(CSc1nnc(-c2cccnc2)o1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 8862288 CRVPKGZDQZLLPI-INIZCTEOSA-N 436.559 2.572 0 40 IFAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8882298 TULIBXGDLURWCI-UHFFFAOYSA-N 438.981 2.789 0 40 IFAB CCNC(=O)NC(=O)CNc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 9157249 BUPICHLBNVVAEF-UHFFFAOYSA-N 428.489 2.994 0 40 IFAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)cc2C)C1=O 9170058 RYOIJGAARHNELB-HSZRJFAPSA-N 438.484 2.817 0 40 IFAB O=C(CSc1ncc(C(=O)O)n1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 9491007 JLOSHCCDZKXIEF-UHFFFAOYSA-N 429.429 2.847 0 40 IFAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)n1nc(-c2cccs2)oc1=O 9501320 JLJKHVZBZWCKDT-ZDUSSCGKSA-N 448.526 2.549 0 40 IFAB CCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 9613978 OVTOOPWAKRWZOG-SJLPKXTDSA-N 426.966 2.618 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1 9676675 PQTYEUVLDAFXNP-UHFFFAOYSA-N 427.526 2.689 0 40 IFAB C[C@H](NS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1)c1ccccc1 9690619 JUQCAGUZUFNESL-INIZCTEOSA-N 448.508 2.954 0 40 IFAB COc1cccc(C2=NO[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1OC 9856690 VIOKMTRJGUQSAT-IBGZPJMESA-N 436.468 2.633 0 40 IFAB CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 10135304 CLOLXYADYFZSGY-UHFFFAOYSA-N 447.421 2.957 0 40 IFAB NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCCC2 10186975 BDWYAZASZZRBOS-LBPRGKRZSA-N 439.584 2.579 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c(C)c1 10446824 BQPCQNPQRIKIRZ-UHFFFAOYSA-N 434.514 2.893 0 40 IFAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(c3)N(C(=O)c3cccnc3)CC4)ccc2N1 11906523 GYVWNLAZBVOGMF-UHFFFAOYSA-N 434.477 2.580 0 40 IFAB CCOc1cc(C(=O)Nc2nnc(SCC(N)=O)s2)cc(OCC)c1OCC 12080613 WBRYZTXWDUNZHO-UHFFFAOYSA-N 426.520 2.564 0 40 IFAB CC[C@@H](C)NC(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12512059 FVFWOKWPNHWCDT-GFCCVEGCSA-N 441.937 2.893 0 40 IFAB O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cc(Cl)cc(Cl)c1 12603081 SWMCYBFPVVOCCC-HUUCEWRRSA-N 425.268 2.816 0 40 IFAB CCOc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 12742652 XYPZDWUHSHZBDV-UHFFFAOYSA-N 443.525 2.850 0 40 IFAB CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2SCc2cscn2)CC1 12893174 QRVHSZTVHQDOJS-UHFFFAOYSA-N 425.601 2.979 0 40 IFAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cccc(Cl)c1Cl 12918258 AYHDBSWPPJETTG-UHFFFAOYSA-N 430.313 2.578 0 40 IFAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)C1=O 13100214 ISYFGBQAHQRRCY-RUZDIDTESA-N 443.459 2.795 0 40 IFAB O=c1cc(CN(Cc2cc(=O)n3ccsc3n2)Cc2ccco2)nc2sccn12 13117219 XTQRHOMGLDFJET-UHFFFAOYSA-N 425.495 2.621 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC 13581455 GPUWJLZOEMYVOA-UHFFFAOYSA-N 449.548 2.827 0 40 IFAB CS(=O)(=O)N1CCC(C(=O)N(C[C@H]2CCCO2)c2nc3c(F)cccc3s2)CC1 13789178 YDRJNHVRWCGHOR-CQSZACIVSA-N 441.550 2.619 0 40 IFAB CSCC[C@H]1N[C@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15967976 BDYLUWBKBGWIEL-HSGJQSDISA-N 449.576 2.711 0 40 IFAB biogenic CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@H]2C(=O)O 17094902 YWBPPUGIRVBOCM-LFWOZUSOSA-N 426.513 2.753 0 40 IFAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCc1ccc(Cl)cc1 17323848 FYSXLERKABBXMW-IBGZPJMESA-N 438.933 2.731 0 40 IFAB CCN(CC)CCCN1CN(CCCN(CC)CC)CN(CCCN(CC)CC)C1 19325194 DHNFAYOYUNLVTB-UHFFFAOYSA-N 426.738 2.974 0 40 IFAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19404879 BMPKCGIIGUZWPE-OAQYLSRUSA-N 449.555 2.997 0 40 IFAB O=C(CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 19405044 MQOIXESPTKEOKJ-JOCHJYFZSA-N 449.599 2.950 0 40 IFAB C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(C(=O)Cc3ccccc3F)CC2)C[C@@H](C)O1 19497305 VOCFCCZLUSCGIH-IYBDPMFKSA-N 428.508 2.747 0 40 IFAB CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19741369 JOMJZHUVBOUUAO-IBGZPJMESA-N 428.558 2.794 0 40 IFAB O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20573549 IIOISWUYQUPOOW-UHFFFAOYSA-N 440.503 2.764 0 40 IFAB Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1nccs1 22088949 IQEQNNLSLJQBJW-UHFFFAOYSA-N 447.538 2.825 0 40 IFAB CCOc1ccc(CCCNC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1 22332946 ZXNCCRLGUJJQFR-UHFFFAOYSA-N 434.558 2.999 0 40 IFAB COCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c1=O 23126568 OBRKMTQLZUWRFG-UHFFFAOYSA-N 426.860 2.951 0 40 IFAB COc1cccc(C(=O)N2CCN(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)c1 24745440 HIFKYWPWYIVMPI-CMDGGOBGSA-N 440.496 2.719 0 40 IFAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1 25747498 FUOBHCITEUGUSQ-GFCCVEGCSA-N 435.860 2.568 0 40 IFAB CCOc1ccccc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28209972 CDNODZCSGAXHBB-KRWDZBQOSA-N 432.498 2.721 0 40 IFAB C[C@H]1CCc2c(sc3ncn(CC(=O)NC[C@H]4COc5ccccc5O4)c(=O)c23)C1 32736386 WXYDNHADYYXZDK-KBPBESRZSA-N 425.510 2.539 0 40 IFAB CC(C)CN1C[C@@H](C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1=O 32809356 DPTHHTYPWQZNFK-HNNXBMFYSA-N 426.344 2.782 0 40 IFAB O=C(Nc1ccccc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccccc1 32823649 BRTDQTTVMVJFOB-UHFFFAOYSA-N 434.540 2.709 0 40 IFAB Cn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nc2cc(S(N)(=O)=O)ccc21 32946591 OFGPYLTVWXBYSD-UHFFFAOYSA-N 442.469 2.553 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 36386011 XWVYRNKUKQSPNT-UHFFFAOYSA-N 431.558 2.638 0 40 IFAB COC(=O)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 40131917 IDQWCEUPRVSAEE-UHFFFAOYSA-N 428.510 2.851 0 40 IFAB CCc1ccccc1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 44857289 SNPGXHZBUYLJAJ-UHFFFAOYSA-N 429.586 2.927 0 40 IFAB CCOC(=O)N1CCC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 48355593 QOTCQBOLSYZAKS-UHFFFAOYSA-N 428.283 2.963 0 40 IFAB C[C@@H]1CN(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 58162296 AAYDAVYVMASOAP-HYBUGGRVSA-N 435.568 2.615 0 40 IFAB O=C(Nc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1)c1cccc(Br)c1 58426218 UOELQMREVFQCES-INIZCTEOSA-N 437.315 2.618 0 40 IFAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CCCC1 60739958 WBCMWHRDVXNFBK-SFHVURJKSA-N 437.359 2.961 0 40 IFAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ncn2)n1 70656047 GDBPKNVXFGUEMJ-GOSISDBHSA-N 434.500 2.541 0 40 IFAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2)c1ccoc1 90582829 ZHWKQFHMKCLCJI-UHFFFAOYSA-N 447.494 2.507 0 40 IFAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 90609660 ONFMIKCLFCDPAP-HNNXBMFYSA-N 430.549 2.751 0 40 IFAB COc1cc(OCC(=O)N2CCN([C@H](C)Cc3ccccc3)CC2)cc(OC)c1OC 95696419 OIZFACGVQRLYET-GOSISDBHSA-N 428.529 2.867 0 40 IFAB O=C(CN1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1)NCc1ccccc1 95947111 NOURRZYPDGMCSE-UHFFFAOYSA-N 435.355 2.866 0 40 IFAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@@H]21 96010140 YGVIWKXTFDOOSJ-HYVNUMGLSA-N 448.589 2.964 0 40 IFAB Cc1ccc(CNC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)cc1 100036792 IVYAZAOOERWPOI-OALUTQOASA-N 425.876 2.566 0 40 IFAB CCOC(=O)Cn1c(Cl)c(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)sc1=O 100141079 SWGCJAVWHALUQR-TZMCWYRMSA-N 447.948 2.739 0 40 IFAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)CC1 222804527 QDXORVQFBLYLLM-UHFFFAOYSA-N 437.565 2.847 0 40 IFAB CCOC(=O)Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 222898272 QMTPQBBDOSNRCB-UHFFFAOYSA-N 430.526 2.804 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 223517517 XJFQGSGFXUERAH-IBGZPJMESA-N 445.585 2.623 0 40 IFAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 223599549 YLAXEKVKTWXLHQ-UHFFFAOYSA-N 430.555 2.531 0 40 IFAB CN(c1cccc(C(=O)NCCN2CCCC2=O)c1)S(=O)(=O)c1ccc(Cl)cc1 224275196 CANVWCWSWDLSTJ-UHFFFAOYSA-N 435.933 2.517 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCOc1ccc(C)cc1 224348827 PDFVQZJXCVFEQW-UHFFFAOYSA-N 446.569 2.916 0 40 IFAB CN(c1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1)S(C)(=O)=O 224851588 UPBBSDRAPNEIEI-UHFFFAOYSA-N 445.585 2.764 0 40 IFAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)COc1ccc(C)cc1 225233881 ZOBGWSBRNCWDEQ-QGZVFWFLSA-N 434.558 2.770 0 40 IFAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4nc(C)cs4)n3)C2)c(C)n1 257260808 LELSINYGBOXUFM-INIZCTEOSA-N 448.574 2.877 0 40 IFAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 257333417 YBKYGJOTDMUBEO-KRWDZBQOSA-N 427.530 2.850 0 40 IFAB O=C1CCc2cc(S(=O)(=O)N3CCCN(c4ccc(F)c(F)c4)CC3)c(F)cc2N1 551201779 HBTSSISXPDHOTB-UHFFFAOYSA-N 439.459 2.890 0 40 IFAB CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccc(C)cc4)CCOCC3)CCN2C)c1 585261874 GRXSNPYGEPGVQY-HSZRJFAPSA-N 435.568 2.918 0 40 IFAB O=C(Nc1ccc(Cl)cc1)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549161851 NZDMAQWZGBHSQP-QGZVFWFLSA-N 432.908 2.780 0 40 IFAB CC(C)n1c(O)nc2ccc(C(=O)N[C@@H](C)CCNS(=O)(=O)c3ccccc3)cc21 1626111130 GXINWADOVLTCGN-HNNXBMFYSA-N 430.530 2.810 0 40 IFAB Cc1cc(C)n2nc(C(=O)N3CC[C@@H]4CN(c5cc(C(F)(F)F)ccn5)C[C@@H]43)nc2n1 2087154447 YSQYOGPFLJUEGD-HIFRSBDPSA-N 431.422 2.506 0 40 IFAB CN1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3cc4c(cc23)OCCO4)CC1 2692456 OWDLGYURFKRBKV-UHFFFAOYSA-N 425.510 2.591 0 40 IFAB C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1 6531114 OQKHKCJTLDMZKT-CYBMUJFWSA-N 440.529 2.593 0 40 IFAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 8878145 ODIVOGBZXBNPLY-SPQSJEGJSA-N 446.503 2.839 0 40 IFAB biogenic CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCSc3ccccc32)cc1 9223845 YLRXHPNXXPMZDV-UHFFFAOYSA-N 433.555 2.795 0 40 IFAB CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2c1=O 9255469 MYSZMZGGKWSFHJ-UHFFFAOYSA-N 428.514 2.746 0 40 IFAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 9263755 QRIOQCYKMNASDV-HUUCEWRRSA-N 431.562 2.792 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1Cl 9282920 OWMNYVZNZZAGBI-OAHLLOKOSA-N 438.933 2.940 0 40 IFAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 9302537 FZHQYMTYSZDTBX-LLVKDONJSA-N 443.558 2.766 0 40 IFAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 9305031 YIEBUGNMTXCWNO-CYBMUJFWSA-N 439.497 2.735 0 40 IFAB C[C@H]1CCCN(C(=O)COC(=O)c2cccnc2SCC(=O)N2CCC[C@@H](C)C2)C1 9583680 CXKZLXSRDCMLMA-DLBZAZTESA-N 433.574 2.848 0 40 IFAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713246 JEOTTZVSBBTBMJ-UHFFFAOYSA-N 427.464 2.703 0 40 IFAB Cc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 10719993 UBEXDRJJLYWNDW-OAHLLOKOSA-N 440.481 2.770 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c(C)c1 12068953 YZQGPQSWCKCISD-UHFFFAOYSA-N 444.601 2.834 0 40 IFAB Cc1ccc(-c2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 12635926 RGWPYJCBYMUUKZ-UHFFFAOYSA-N 441.509 2.601 0 40 IFAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 12799189 RHWHSQMKOYKYKZ-IBGZPJMESA-N 441.553 2.848 0 40 IFAB COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)CN1CCOCC1 12950900 OJSIPBRCOAMNIE-UHFFFAOYSA-N 449.554 2.536 0 40 IFAB O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 13013044 GSYUQTYLDWBDDH-ZDUSSCGKSA-N 431.352 2.533 0 40 IFAB CCn1c(-c2ccco2)nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1=S 13069555 IKRYUBKWBHXHRJ-UHFFFAOYSA-N 447.586 2.966 0 40 IFAB O=C1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2nc(SCc3ccccc3)nc2N1 13639088 CUIYHEOYGPFANR-OAHLLOKOSA-N 437.481 2.864 0 40 IFAB CC1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 15980096 IISKMPUVCCISBT-QZTJIDSGSA-N 436.574 2.769 0 40 IFAB O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 16181569 NNPPUCFRDGGKFN-UHFFFAOYSA-N 436.892 2.788 0 40 IFAB CC(C)S(=O)(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19451042 PRRUQVUBXWFEMI-IBGZPJMESA-N 433.578 2.611 0 40 IFAB CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)CCN3CCOCC3)CC2)n1 19695341 STEZZWGXPSEPLR-UHFFFAOYSA-N 441.551 2.777 0 40 IFAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 19708845 NKBADUOTELVJMJ-AWEZNQCLSA-N 435.981 2.728 0 40 IFAB Cc1nc([C@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741295 PCJZJOSVSNVXDR-SFHVURJKSA-N 439.535 2.671 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19756229 PUGVZJUNHDSURD-FQEVSTJZSA-N 444.557 2.946 0 40 IFAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 19862521 UIOASPAJODQJFQ-QGZVFWFLSA-N 434.489 2.793 0 40 IFAB O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(Cc2ccccc2)CC1 20676217 OGEHGALUYOEAEW-UHFFFAOYSA-N 445.567 2.970 0 40 IFAB biogenic CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 22766302 LGJREAVIIAVDNL-KRWDZBQOSA-N 440.491 2.810 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23409198 RNENVOAMNZPCTB-HXUWFJFHSA-N 430.476 2.605 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3OC)C2)cc1 23595035 GGZJLACOXNHAQZ-SFHVURJKSA-N 432.542 2.763 0 40 IFAB COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 24609749 DLNPUZLRXBSRPG-UHFFFAOYSA-N 434.533 2.735 0 40 IFAB biogenic CCn1cnc2c1c(=O)n(CC(=O)N(C1=CCCCC1)C1CC1)c(=O)n2Cc1ccccc1 32722847 LTIWWHVSJMWGCJ-UHFFFAOYSA-N 447.539 2.877 0 40 IFAB C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C 32860342 NRZVXLJPNONGEB-HOTGVXAUSA-N 428.510 2.750 0 40 IFAB CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccc2ccccc2c1 35056622 XCMZMJFBJIDKSB-RFXJPFPRSA-N 435.476 2.923 0 40 IFAB COc1ccc(Cc2nnc(NC(=O)CCCn3nnc4ccccc4c3=O)s2)cc1 40285869 UVFABMOTHVAFRN-UHFFFAOYSA-N 436.497 2.661 0 40 IFAB C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 48253983 VXNYAGBIISIDFL-BBRMVZONSA-N 437.418 2.897 0 40 IFAB COc1ccc(-c2cc(C(=O)N3CCN(CC(=O)Nc4ccc(C)cc4)CC3)n[nH]2)cc1 51315760 OFSNKKYTXWTLLW-UHFFFAOYSA-N 433.512 2.790 0 40 IFAB COc1ccc(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(OC)c1 58179480 IREJJZPKVKCBCH-FQEVSTJZSA-N 438.572 2.702 0 40 IFAB Cc1csc(C(=O)N2CCC(c3nnc([C@@H]4CCCCN4S(C)(=O)=O)o3)CC2)c1 72344921 WUMFWFKCFNLRSZ-HNNXBMFYSA-N 438.575 2.946 0 40 IFAB COc1ccc(C2(CNC(=O)CCNc3nc(Cl)nc4[nH]cnc34)CCOCC2)cc1 79481179 RUKBNYWKVMNOBJ-UHFFFAOYSA-N 444.923 2.682 0 40 IFAB CC(C)[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccccn1 95476260 ACDMYHXMDIVJOI-HXUWFJFHSA-N 429.952 2.908 0 40 IFAB CS(=O)(=O)CCn1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1=O 95976531 VBPPYBCZBHBEJG-UHFFFAOYSA-N 437.930 2.922 0 40 IFAB CC(=O)Nc1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cc1 96296433 SUSUOPXBLILXPC-FQEVSTJZSA-N 434.496 2.968 0 40 IFAB biogenic,in-vitro CNC(=O)c1cc([C@H]2CC[C@H](CNS(=O)(=O)c3cnn(C)c3)CC2)nc2ccccc12 100658036 UQBYWQIUZKUSJE-IYBDPMFKSA-N 441.557 2.580 0 40 IFAB CCCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 101421099 HAYUXCHZXQPHEW-QAGGRKNESA-N 436.537 2.848 0 40 IFAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCCn1nc(C(F)(F)F)cc1C1CC1 101566496 FRXCIXQLQQVDCM-GASCZTMLSA-N 440.466 2.851 0 40 IFAB Cc1ccccc1CN1C[C@@H]2[C@H](C1)c1nc(N3CCC[C@@H](C)C3)ncc1CS2(=O)=O 107260549 QJMIKQFMCAEVNH-TYCQWZJGSA-N 426.586 2.918 0 40 IFAB CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218179113 PDXCEXPRYLTROM-WSTZPKSXSA-N 437.901 2.517 0 40 IFAB CS(=O)(=O)N(CCCC(=O)N1CCCc2ccccc21)c1ccc2c(c1)OCCO2 222673308 BGNPFOKRNPXIIV-UHFFFAOYSA-N 430.526 2.983 0 40 IFAB CC(=O)Nc1ccn2ncc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 252509365 YMEHYAQWRBUQMF-UHFFFAOYSA-N 432.406 2.669 0 40 IFAB COC(=O)[C@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 253601589 CEFIGYGDDALBDP-YBNJHJSASA-N 430.520 2.940 0 40 IFAB Cc1ncoc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 257307904 TUPXGXFEWORDNG-LPHOPBHVSA-N 447.919 2.795 0 40 IFAB Cc1cc(N2CCC[C@@](O)(CNC(=O)CC3(CC(=O)O)CCCC3)C2)c2cnccc2n1 257319031 VQKDBOPJOMWEAX-XMMPIXPASA-N 440.544 2.811 0 40 IFAB Cc1ncc(C(=O)N(C)[C@H]2CC[C@@]3(CCO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@@H]2O)cn1 257322723 WHBXDJITKIHTST-YYCSQBPTSA-N 439.556 2.854 0 40 IFAB O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@]2(COCCN(Cc3ccccc3F)C2)O1 306132944 LXHSGFLWAYNZQF-GGAORHGYSA-N 448.560 2.695 0 40 IFAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408671376 XYQLUGNTBPRWJI-RJYYBVGHSA-N 430.888 2.653 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 408699744 YWZVWLZGGYJPJD-UHFFFAOYSA-N 443.569 2.832 0 40 IFAB CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)NC(C)C 408701330 WHIKKYIISTXCEK-UHFFFAOYSA-N 449.548 2.874 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccccc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408876328 OPUWQSAMXCNNDX-LUDQZLGDSA-N 449.532 2.828 0 40 IFAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCC(=O)Nc1ccccc1Cl 409376773 CUWFAQLXEJOHRR-OAHLLOKOSA-N 427.848 2.542 0 40 IFAB COc1ccc(CN2CCC(NC(=O)CC3(Cn4cnnn4)CCCCC3)CC2)cc1 524733966 JGJDZMVDILOSDX-UHFFFAOYSA-N 426.565 2.803 0 40 IFAB CN(C)S(=O)(=O)c1cc(C(=O)NCCCn2cc(Cl)cn2)c(Cl)cc1Cl 2793210 XUWRUPBQAAZECU-UHFFFAOYSA-N 439.752 2.914 0 40 IFAB CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 4101946 FYXTXRVUAMTCLK-UHFFFAOYSA-N 437.543 2.676 0 40 IFAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCCCC1)OCCO3 6445156 MYAQNLDMOIUIGK-NRFANRHFSA-N 436.516 2.976 0 40 IFAB CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccccc1Cl 6544908 MEEYKWWKAAHSRV-GXFFZTMASA-N 436.917 2.909 0 40 IFAB CCc1cccc2c(C(=O)[C@H](c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12 8719963 GZKFFMLPUJTUSA-FQEVSTJZSA-N 441.491 2.950 0 40 IFAB CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2ccccc2c1=O 9126132 XCXMBOPDTQICQB-UHFFFAOYSA-N 449.536 2.945 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cccc(Cl)c2F)c1 9222582 UKUYLOIMVKALSE-UHFFFAOYSA-N 441.912 2.818 0 40 IFAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cc(F)ccc2C)n1C 9263813 SIQRYWPTHPVIAX-UHFFFAOYSA-N 443.504 2.932 0 40 IFAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC(C(=O)OCC)CC1 9330861 ORIHKYGPCUWSFP-UHFFFAOYSA-N 431.489 2.567 0 40 IFAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCCCC1 9462010 XIFXIGMZKSBZCG-KRWDZBQOSA-N 433.574 2.899 0 40 IFAB CCN(C(=O)COc1ncnc2sc(-c3ccccc3)cc12)[C@H]1CCS(=O)(=O)C1 9491386 CWRSRIXXTABYDY-HNNXBMFYSA-N 431.539 2.773 0 40 IFAB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1C 9551222 OUDUDTIOUMMILH-MRXNPFEDSA-N 428.510 2.855 0 40 IFAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 9632678 VVCRYXDWBFMDMZ-UHFFFAOYSA-N 439.497 2.991 0 40 IFAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9711956 ASCBJUJBGFPUFQ-UHFFFAOYSA-N 436.516 2.865 0 40 IFAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9762632 SLKXRMFOZVUCQU-QGZVFWFLSA-N 427.501 2.766 0 40 IFAB COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@H]1c1ccccc1 10273521 HCLBLZWEXYRKSY-HNNXBMFYSA-N 426.903 2.656 0 40 IFAB Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 12127943 CEVMYXCDLXWVIQ-KRWDZBQOSA-N 435.484 2.665 0 40 IFAB COc1ccc(OC)c(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 12561445 JWYZAJPPIAIKAF-QFIPXVFZSA-N 439.512 2.922 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 12878865 AVNFOLLJTARSIW-CYBMUJFWSA-N 446.301 2.626 0 40 IFAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 12928712 ZUGMYNGIPOYBRZ-OAHLLOKOSA-N 438.933 2.599 0 40 IFAB COc1cc(C(C)=O)ccc1OCC(=O)NCCn1nc(-c2ccc(C)cc2)ccc1=O 13602834 DXYBKWJNNHYVTG-UHFFFAOYSA-N 435.480 2.625 0 40 IFAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859662 NUEDPEGAHKIOSA-KRWDZBQOSA-N 425.441 2.509 0 40 IFAB Cn1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 17149097 TWHGQEFLPVNGPG-UHFFFAOYSA-N 445.498 2.773 0 40 IFAB O=C(NCCN1CCOCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19285765 YLKXTBCFQMJPLL-UHFFFAOYSA-N 425.436 2.539 0 40 IFAB O=C(CCc1ccc2c(c1)OCCO2)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 19344926 CMDVQDJYNMOPGG-INIZCTEOSA-N 425.514 2.797 0 40 IFAB Cc1c(S(=O)(=O)N2CCC[C@H](c3nnc(-c4nccc5ccccc45)o3)C2)cnn1C 19553900 OZFSFMQLTDXLCI-INIZCTEOSA-N 438.513 2.895 0 40 IFAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c(=O)n1 19692252 WMESBCYQUQXCMO-JOCHJYFZSA-N 436.487 2.585 0 40 IFAB CCn1ccc(C(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)CC3)n1 19698617 QTWHGYDIZVSYFT-UHFFFAOYSA-N 448.527 2.762 0 40 IFAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(CCCc3ccccc3)CC1)C2=O 19699372 QBJAXMKTNRZLFN-UHFFFAOYSA-N 440.588 2.653 0 40 IFAB Cc1nc([C@@H]2CCN(C(=O)CN3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738885 QWWWFWYYZROPRB-HXUWFJFHSA-N 433.556 2.676 0 40 IFAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2F)C(=O)CC3)C1 19739454 FOGJWINOTZQJCT-QGZVFWFLSA-N 446.548 2.933 0 40 IFAB CCCN1C[C@@H](C(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1=O 19746343 NAJNNHZXLFQZIB-ZDUSSCGKSA-N 437.422 2.738 0 40 IFAB CN(C)C1(CNC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CCCC1 19748296 PEMYEFUUJMVWSV-UHFFFAOYSA-N 425.570 2.607 0 40 IFAB Cc1nc(C2CCN(C(=O)c3ccnn3C)CC2)ncc1C(=O)NCc1ccc(F)cc1 19766591 JPEOFAKBYAFATL-UHFFFAOYSA-N 436.491 2.607 0 40 IFAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(S(C)(=O)=O)CC4)c(C)c3cc2c1C 20427475 ZMJRAVDKZLMVND-UHFFFAOYSA-N 446.525 2.501 0 40 IFAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)cc1 23107587 ZWTZCODSWDRQSK-QHCPKHFHSA-N 433.508 2.977 0 40 IFAB CC(C)CNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)CC1 27554033 HAUSFKXPXRIPED-OAHLLOKOSA-N 428.549 2.718 0 40 IFAB CC(=O)NCCc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)s1 29848336 QRLVWSSDKDXYSV-FQEVSTJZSA-N 448.516 2.746 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCCC4)nc3)C2)s1 31316470 PACDJMYCNPHZBU-GOSISDBHSA-N 448.614 2.769 0 40 IFAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 32097085 HYAZWDQKHXZVFC-CYBMUJFWSA-N 447.421 2.957 0 40 IFAB COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccc(OC)cc2)[C@@H]1c1cccnc1 34897628 XLXCQPSCZFIKDR-XZOQPEGZSA-N 445.475 2.865 0 40 IFAB NC(=O)c1ccc(S(=O)(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 36397342 AWQUWKSWAZBTLB-HXUWFJFHSA-N 438.484 2.994 0 40 IFAB CCOc1ccc(CNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 44912738 OHSQTFVMORBHOD-IBGZPJMESA-N 438.933 2.972 0 40 IFAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1 44921887 XHGSHEZYKODKON-IBGZPJMESA-N 447.495 2.885 0 40 IFAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(Br)ccc1N 69815038 FXANWQNXFPXWJX-LLVKDONJSA-N 432.274 2.952 0 40 IFAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 72003761 LMTKZMPIMPVEEZ-MOTZXUDYSA-N 447.988 2.864 0 40 IFAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1nnc(CCN2CCc3ccccc3C2)s1 72391482 BSOVVHDCRGFQGX-LJQANCHMSA-N 449.536 2.867 0 40 IFAB O=C(O)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccccc1 95393141 ROVOQRFJHVRDBA-PMACEKPBSA-N 430.526 2.561 0 40 IFAB CN(C)C(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2I)cc1 95448448 JCKUCFWBCIYHQB-UHFFFAOYSA-N 443.672 2.971 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(C(=O)O)cc3)CC2)cc1 95949036 DUKJQNXDXSIJAO-UHFFFAOYSA-N 430.526 2.753 0 40 IFAB COc1cc(=O)n(CC(=O)NCCCn2nc(C)cc2C)nc1-c1ccc(Cl)cc1 96100880 XOEGIYGYGHOFRM-UHFFFAOYSA-N 429.908 2.592 0 40 IFAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(C(=O)c2cn(CC)nc2C)C3)c(OCC)n1 100152881 NJNSYFGRMGUZNS-IAGOWNOFSA-N 443.548 2.559 0 40 IFAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccccc1 169365488 HMOOHAJODBTTHZ-XLGPZGCCSA-N 429.472 2.831 0 40 IFAB COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c2ccccc12 222615113 LUFAAXYICSCAFV-UHFFFAOYSA-N 428.466 2.800 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222924562 UVZNBMZJQYAAMA-ZYSHUDEJSA-N 445.947 2.535 0 40 IFAB COc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1C(=O)NC(C)C 225875762 WQWAEJCHVGTSOJ-UHFFFAOYSA-N 430.577 2.986 0 40 IFAB COc1ccccc1CN(C)CC(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 257287519 PQHYBEDPLZQUEW-JOCHJYFZSA-N 448.527 2.656 0 40 IFAB Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)s1 257332440 XXIURKKBNHPKSG-ICSRJNTNSA-N 443.569 2.919 0 40 IFAB COc1ccc(OC)c(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)c1 260795944 NFYRZIJXYIJFOQ-MRXNPFEDSA-N 434.558 2.996 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 409267961 YIIGDWMVZMCTGX-GFCCVEGCSA-N 440.905 2.928 0 40 IFAB CS(=O)(=O)c1ccc(OCCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 537484228 INBIHKSTAVESPG-FQEVSTJZSA-N 444.509 2.543 0 40 IFAB O[C@]1(COc2ccccc2)CCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 585270342 BTIVWPVYYGJHLI-RUZDIDTESA-N 426.557 2.804 0 40 IFAB CCNS(=O)(=O)c1cccc(CNC(=O)Nc2ccnn2Cc2ccc(F)cc2)c1 1676788779 IDKHTSVVQZHASE-UHFFFAOYSA-N 431.493 2.690 0 40 IFAB NC(=O)c1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 1112434 VQDITLLBALVSMQ-UHFFFAOYSA-N 441.484 2.754 0 40 IFAB C[C@@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)CCC2 7932967 SCURLQHUZMRLIL-OAHLLOKOSA-N 427.501 2.690 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)CC1 9127958 AVDKRIWJMPNBOL-SFHVURJKSA-N 430.526 2.677 0 40 IFAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 9168381 KPOPINVAIQZROL-FQEVSTJZSA-N 433.823 2.656 0 40 IFAB COC(=O)c1c(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc2ccccc2c1C 9171733 VOQJERJAFWHZOW-UHFFFAOYSA-N 448.884 2.988 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1C 9569134 KSNATEZIDRCIJY-UHFFFAOYSA-N 430.935 2.998 0 40 IFAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 9594840 QKDQBBFHXYPKIP-UHFFFAOYSA-N 426.428 2.687 0 40 IFAB CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCC1 10080170 CPMGJQCFFVPEDU-UHFFFAOYSA-N 443.013 2.620 0 40 IFAB Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccccc4N)c(C)c(C)n23)n(C)c1=O 10233674 JWLQRMFCVJUCDQ-UHFFFAOYSA-N 428.496 2.694 0 40 IFAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 10985327 NADVLRNVBRQOKO-UHFFFAOYSA-N 432.527 2.805 0 40 IFAB O=C(CSc1nc(CC2CCCC2)n[nH]1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11885878 BMELCRBDPSEIDK-KRWDZBQOSA-N 434.587 2.850 0 40 IFAB COc1cc(C(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc(OC)c1OC 12144052 NWBRHOQLVSFPIU-UHFFFAOYSA-N 434.514 2.531 0 40 IFAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 12199706 LIMLNFNQOAADEO-UHFFFAOYSA-N 433.917 2.504 0 40 IFAB COc1ccc(NC(=O)Cn2cc(OCc3ccc(C)cc3)c(=O)cc2CO)c(OC)c1 12231189 HITLPZXWINSASF-UHFFFAOYSA-N 438.480 2.884 0 40 IFAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 12342363 KEWBKQOMZQHJBY-NRFANRHFSA-N 433.508 2.820 0 40 IFAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12427204 XRMKEDTZGDLHMH-UHFFFAOYSA-N 432.406 2.834 0 40 IFAB Cc1ccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(Br)c1 12878932 SVCKDMURJHENOF-UHFFFAOYSA-N 428.286 2.768 0 40 IFAB COC(=O)c1ccccc1N1C(=O)C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C1=O 13150468 PTVNYEVSEBLKOH-UHFFFAOYSA-N 439.899 2.615 0 40 IFAB O=C(COC(=O)/C=C/c1ccc(Br)o1)NCCc1ccc2c(c1)OCCO2 14074797 YUFWMTWFHINKPX-ZZXKWVIFSA-N 436.258 2.729 0 40 IFAB O=C(OCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1sccc1-n1cccc1 14187081 DQZMUEVAAFWRCH-UHFFFAOYSA-N 429.523 2.742 0 40 IFAB COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)c(C)n3c2=O)c(OC)c1 16736105 OQPASKDIWZZLQU-RGVLZGJSSA-N 438.480 2.719 0 40 IFAB CCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12 16838072 VHWAGOSXURYJEY-UHFFFAOYSA-N 430.468 2.727 0 40 IFAB COc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C(C)=O)CC3 19017967 VYQSANZSJIOGPL-FQEVSTJZSA-N 449.511 2.716 0 40 IFAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19529003 YPIZUBMSZCTOPW-VWLOTQADSA-N 430.508 2.648 0 40 IFAB COc1ccc(CC(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1 19584712 TZOBCZQREGHJQR-UHFFFAOYSA-N 432.528 2.957 0 40 IFAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)CN3CCCCC3)CCO2)cc1 19692821 FSYAYVKXMSJDDR-OAQYLSRUSA-N 439.560 2.604 0 40 IFAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(C)c2)nc2c1CN(C)CC2 19710249 CVBPHPBFGHMWDL-LJQANCHMSA-N 433.553 2.870 0 40 IFAB CCOc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1OCC 20244440 GFEMZVPFOXBYCA-UHFFFAOYSA-N 435.546 2.657 0 40 IFAB O=S(=O)(N1CCCCC1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 22844141 KSQSJYUNINZTCO-UHFFFAOYSA-N 426.892 2.997 0 40 IFAB COCc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)oc2ccccc12 23817755 FYWLAVYQEBWYAC-UHFFFAOYSA-N 438.509 2.607 0 40 IFAB CCN(CC(=O)NCc1cccs1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 27112616 FHTSIAXMELQFLT-UHFFFAOYSA-N 435.855 2.747 0 40 IFAB CCOC(=O)c1sc(NC(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1C 27913242 HQJVDPZAMUCEJT-UHFFFAOYSA-N 448.520 2.835 0 40 IFAB COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1 28218328 SRECDMCLFAYYPY-QZTJIDSGSA-N 440.500 2.659 0 40 IFAB O=C(C[C@H]1SC(=O)NC1=O)Oc1ccc([C@H]2SCC(=O)N2c2ccc(O)cc2)cc1 28294997 VGSWBGLPINHSFY-DNVCBOLYSA-N 444.490 2.818 0 40 IFAB Cc1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)c1C 30863345 VFMLMCFMCRNZTH-UHFFFAOYSA-N 426.542 2.880 0 40 IFAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc(OC)cc6OC)=NO[C@H]45)[C@H]3C2=O)cc1 33821737 BIFZSCVBWDVLQM-PAIQHCBVSA-N 448.475 2.887 0 40 IFAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3[C@H](C)CC(C)C[C@H]3C)=C2)cc1OC 35268941 NQGKQBKWXLNWJL-HUUCEWRRSA-N 435.546 2.603 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCCSCc2ccco2)Oc2ccc(Cl)cc21 38852137 IOMXSNQRYFLWAT-INIZCTEOSA-N 430.935 2.510 0 40 IFAB CCOc1ccccc1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 44910003 LYJFTFJFXLGJGQ-OAQYLSRUSA-N 432.542 2.670 0 40 IFAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1C 44911738 LUGDSAIRPCZBDP-IBGZPJMESA-N 432.498 2.646 0 40 IFAB COc1ccc(-c2cn(CC(=O)Nc3ccc(NC(C)=O)cc3)nc2N2CCOCC2)cc1 62006923 PTGGOMLUNRUZFB-UHFFFAOYSA-N 449.511 2.992 0 40 IFAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnc2nc(O)[nH]c(=O)c2c1)OCCO3 64786588 DKLOLQFMARYZAC-ZDUSSCGKSA-N 448.479 2.824 0 40 IFAB O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 72059505 QPRHNLPGPCVXHM-MRXNPFEDSA-N 446.349 2.688 0 40 IFAB COc1ccc(CN2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1CO 72337253 OKLNBJZBQYSSKN-UHFFFAOYSA-N 426.561 2.811 0 40 IFAB COc1ccc(CNC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)cc1OC 72404436 BISRDEHESTUDIW-UHFFFAOYSA-N 430.464 2.787 0 40 IFAB C[C@H](C(=O)NCCn1ccc2ccc(Br)cc21)n1nnc2ccccc2c1=O 80337605 KRFGHGWCCKMVQK-CYBMUJFWSA-N 440.301 2.886 0 40 IFAB O=C(CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)Nc1ccc(F)c(F)c1F 89836609 YXZVNZUMVVOPCR-INIZCTEOSA-N 435.402 2.960 0 40 IFAB CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1Br 95460029 JWIIKKXEMULWMB-CQSZACIVSA-N 441.351 2.766 0 40 IFAB CC(C)CN1CCC2(CC1)CC1(CCN(S(=O)(=O)Cc3ccccc3)CC1)N(C)C2=O 96143674 LSVQIWBSRRWVPQ-UHFFFAOYSA-N 447.645 2.951 0 40 IFAB Cc1cc(C)cc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)c1 96243766 JHEVDUICCZUGAL-VXKWHMMOSA-N 438.572 2.685 0 40 IFAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)CCCn3cnc4ccccc4c3=O)cc2n1 100138988 DCAXMLKZGCNZPA-IBGZPJMESA-N 432.484 2.597 0 40 IFAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166686 FFQCBSBQOGULGE-ROUUACIJSA-N 428.485 2.907 0 40 IFAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1)S(=O)(=O)CC 113972333 RGINADOEYIIPMV-UHFFFAOYSA-N 445.541 2.587 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 222824635 CZHQXDHGBSGZEL-LJQANCHMSA-N 448.541 2.743 0 40 IFAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 223627401 XMAOKNZBZROKHA-SFHVURJKSA-N 435.524 2.925 0 40 IFAB Cc1ccccc1CC(=O)N1CC[C@]2(CCn3ncnc3[C@@H]2NC(=O)c2ccccc2)C1 306125286 CLGZYGNEEDXLNG-DHLKQENFSA-N 429.524 2.923 0 40 IFAB COCCN1CC[C@@]2(CN(Cc3ccccc3OC)C[C@H]2c2cn(C(C)C)cn2)C1=O 306134214 NFUIVPCLJXCOLW-RDPSFJRHSA-N 426.561 2.937 0 40 IFAB COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 408561361 IHQOFKDIPLIBOD-UHFFFAOYSA-N 446.525 2.974 0 40 IFAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(OC)c(O)c3)C2=O)cc1 409210340 JPKUTUBGALQIJJ-ZDLGFXPLSA-N 428.466 2.762 0 40 IFAB NC(=O)CCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 537914534 HWDWUZUTZJKAMF-DLBGWLJESA-N 425.573 2.702 0 40 IFAB CCn1cc(Cl)c(C(=O)N2CCN(C)CCCN(C(=O)COC)c3ccccc3C2)n1 643554060 ABFNYBGMOYYARQ-UHFFFAOYSA-N 447.967 2.514 0 40 IFAB O=C(Cn1c(=O)oc2ccccc21)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 1889231427 BCCLZFQFZLFXKI-XJKSGUPXSA-N 432.402 2.746 0 40 IFAB CN(C(=O)[C@@H]1C[C@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2)c1cccc(F)c1 2056225886 DWDLPANZUPSIPM-HNAYVOBHSA-N 440.397 2.662 0 40 IFAB COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@H](C)C3)c(=O)[nH]c2c1 890416 SUAOACBKXJPNLK-RRMPHLOHSA-N 438.532 2.524 0 40 IFAB O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1C(F)(F)F 1344591 VMTXITNGAHJHKW-UHFFFAOYSA-N 432.337 2.774 0 40 IFAB CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)N1C(=O)c2ccccc2C1=O 2151363 HPTBZTZXWZMVHL-WWMYMODYSA-N 433.508 2.505 0 40 IFAB biogenic Cc1nnc(SCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)s1 2616921 GLMGYFWIBRNHEU-JYRVWZFOSA-N 438.531 2.930 0 40 IFAB CC(C)Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccco1 3451396 NARAEDOOGUEEHA-UHFFFAOYSA-N 435.531 2.572 0 40 IFAB CC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)N1CCCCC1 4222258 VVFKJBXWQLBTOA-MVAUCRKUSA-N 449.617 2.920 0 40 IFAB biogenic,in-vitro CCOc1ccc(CN(CC)C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1OC 8012769 AWYSFSIBZUKPON-UHFFFAOYSA-N 425.485 2.779 0 40 IFAB COc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 8774815 SJUNOIDTPGGTHB-UHFFFAOYSA-N 439.903 2.756 0 40 IFAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 9190883 RHUHEXGPKCHPRC-KRWDZBQOSA-N 427.526 2.771 0 40 IFAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 9327791 PLTYZIMGTDKKNT-UHFFFAOYSA-N 439.497 2.734 0 40 IFAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccccc1NCc1ccco1 9337189 CIUBPNYGZQIRGE-NRFANRHFSA-N 436.464 2.949 0 40 IFAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1 9412142 DBZANRMZYSCLTQ-UHFFFAOYSA-N 439.493 2.903 0 40 IFAB O=c1[nH]c2ccccc2n1CCCSCc1cccc(S(=O)(=O)N2CCOCC2)c1 9465793 PBBPULSNCUJRKN-UHFFFAOYSA-N 447.582 2.674 0 40 IFAB CCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cccc1C)c(=O)n2Cc1ccccc1 9466593 KQCAWSUHXIWTAZ-UHFFFAOYSA-N 431.496 2.683 0 40 IFAB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCc1ccc2c(c1)OCO2 9716541 PQUDYBMJXYJQLY-UHFFFAOYSA-N 434.448 2.626 0 40 IFAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 10737775 SFZBYMUZLHDWKR-CQSZACIVSA-N 432.571 2.723 0 40 IFAB CCCn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccc(C(F)(F)F)cc21 11021849 JTMQVWUQSVSBNA-LBPRGKRZSA-N 435.493 2.861 0 40 IFAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1 11226370 SKEGYMQTLDJLNN-UHFFFAOYSA-N 428.432 2.656 0 40 IFAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)C1=O 11858222 VZQIKVUUEPDECF-NSHDSACASA-N 448.444 2.819 0 40 IFAB Cc1nccc(-c2sc(C3CCN(S(=O)(=O)c4cn(C)nc4C)CC3)nc2C)n1 12186221 OKXFEKHHYWIJGH-UHFFFAOYSA-N 432.575 2.827 0 40 IFAB COC(=O)[C@@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 12497190 FXGOZSQZXFQEMS-DLRJPAPCSA-N 430.551 2.863 0 40 IFAB Cc1cccc(Nc2nnc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)s2)c1 12525692 HONCJLDSVNFULO-UHFFFAOYSA-N 443.558 2.520 0 40 IFAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)[C@@H]1CC=CCC1 12527497 HZCVPYIQEHQNGX-QZTJIDSGSA-N 449.573 2.593 0 40 IFAB COc1ccc([C@H]2[C@@H](O)C(c3c[nH]c4ccccc34)=NN2C(=O)Cn2ccsc2=N)cc1 12542892 YNKDDXCBKDHISJ-VXKWHMMOSA-N 447.520 2.868 0 40 IFAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCn3cnc4sccc4c3=O)ccc21 12882168 NTJUGRLUOYLIAY-CYBMUJFWSA-N 439.493 2.572 0 40 IFAB COC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 12921188 QAMIVJFXRVDPNE-OAHLLOKOSA-N 431.286 2.905 0 40 IFAB Cc1ccc([C@@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1C 12988118 IQGLOYLHZDAIFT-NRFANRHFSA-N 428.492 2.768 0 40 IFAB C[C@H](NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 12993899 RIVXAKHPXFTTFQ-INIZCTEOSA-N 437.512 2.539 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1NC(C)=O 12994233 KVRAJMRXNVYXBS-SFHVURJKSA-N 432.498 2.951 0 40 IFAB CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 13110182 FNOLVUICGQSMHX-UHFFFAOYSA-N 441.903 2.581 0 40 IFAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NC(=O)CN1CCCC1=O 13130911 CAJGRARZLSGPJR-UHFFFAOYSA-N 426.523 2.716 0 40 IFAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)cc1 13496187 KKXUOPJXRYKXOX-UHFFFAOYSA-N 447.542 2.905 0 40 IFAB C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1cccc(Cl)c1 13557478 KBISBVPZOJBECT-ODLKPZKQSA-N 429.929 2.731 0 40 IFAB COc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 13647681 LGHKGQCFKSRKBR-UHFFFAOYSA-N 426.535 2.650 0 40 IFAB COc1ccc([C@@H](CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)N2CCCCC2)cc1 14237526 GUNAIJWKOXFDBC-HXUWFJFHSA-N 442.560 2.593 0 40 IFAB CCOc1ccccc1N(CC(=O)N1CCN(CC)CC1)S(=O)(=O)c1ccc(C)cc1 14411399 QOTUUFIFGDERAR-UHFFFAOYSA-N 445.585 2.753 0 40 IFAB Cc1cccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 15824947 AMRJSMJXRFBEAR-UHFFFAOYSA-N 431.475 2.549 0 40 IFAB O=C(NCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 16045455 WPKCVGAPPJTCNU-UHFFFAOYSA-N 443.931 2.923 0 40 IFAB O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C(=O)N1c1ccc(Cl)cc1 17722945 NLJPYVXYHVMUHZ-HZPDHXFCSA-N 448.262 2.649 0 40 IFAB Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)ccc1I 18193991 HGPAQNYSHOEDER-HIFRSBDPSA-N 446.285 2.766 0 40 IFAB O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19293717 IUCSBGIFYVGUEQ-QFIPXVFZSA-N 447.514 2.769 0 40 IFAB O=C(c1cccs1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400103 DBVCWNNMEAXXCS-GOSISDBHSA-N 449.536 2.792 0 40 IFAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2n[nH]c(O)n2)C1 19449332 LHXBRKUGIFODAA-JOCHJYFZSA-N 439.541 2.838 0 40 IFAB CCCN1CCN(C(=O)CCn2cnnn2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502975 VEMXRZDVKBUQHD-HSZRJFAPSA-N 446.555 2.670 0 40 IFAB COc1cccc2ccc(CN(C)Cc3ccc([C@H]4CN(C(C)=O)C[C@@H]4C(N)=O)cc3)nc12 19699184 ZQANVIVPNSDVOA-PKTZIBPZSA-N 446.551 2.923 0 40 IFAB CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)CC1 19755593 GSBUXWAYRVSPGU-NRFANRHFSA-N 435.528 2.959 0 40 IFAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2sc(=O)[nH]c2c1 20609181 YZEXHXKINRLGRN-QGZVFWFLSA-N 445.522 2.524 0 40 IFAB C[C@H]1CCN(C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc2S1 22914898 HUUWWEQODHONBQ-IBGZPJMESA-N 430.618 2.534 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(C)s2)c1 24669036 CIPFCKOHTXBKCU-UHFFFAOYSA-N 430.577 2.616 0 40 IFAB CNC(=O)c1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 24925331 KFPIYLFKAHDEBG-UHFFFAOYSA-N 438.553 2.814 0 40 IFAB COc1ccc(CN2CCN(CC(=O)N(C)Cc3ccsc3)CC2)c(OC)c1OC 24980333 YEDWLORFJPEETH-UHFFFAOYSA-N 433.574 2.550 0 40 IFAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 25047480 CYBXZHWEESUWPK-KRWDZBQOSA-N 433.549 2.616 0 40 IFAB O=C(C[C@@H]1SC(=O)NC1=O)Oc1ccc([C@@H]2SCC(=O)N2c2ccc(O)cc2)cc1 28294995 VGSWBGLPINHSFY-KXBFYZLASA-N 444.490 2.818 0 40 IFAB C[C@H](C(=O)OCc1cc(=O)n2ccccc2n1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 32747224 NOHWCFZVKAFVPO-SNVBAGLBSA-N 446.246 2.729 0 40 IFAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1 32856053 IECLJYXZLMTDLE-RUZDIDTESA-N 446.507 2.691 0 40 IFAB CN1CCN(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)CC1 36378206 SFMVIDHCSAODJJ-UHFFFAOYSA-N 443.356 2.686 0 40 IFAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 36397096 GUNLEEONGGEUCV-JOCHJYFZSA-N 448.502 2.727 0 40 IFAB Cc1c(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cnn1-c1ccc(C(F)(F)F)cn1 40092533 FAVCPRIUODZUHU-SFHVURJKSA-N 438.498 2.596 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)c(C)c1 48332480 CFBVNTRECBQTMK-JOCHJYFZSA-N 441.597 2.801 0 40 IFAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC1CCCCC1 56945712 DLRCOCMFQHUELU-OAQYLSRUSA-N 442.535 2.847 0 40 IFAB CCN(CC)C(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O 57504448 NNTQIEKZYAANIP-UHFFFAOYSA-N 426.864 2.735 0 40 IFAB CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1csc(N2CCCNC2=O)n1 72304579 WWAIIBUIIFMDAN-LJQANCHMSA-N 441.601 2.976 0 40 IFAB COC(=O)C1=NN(c2ccccc2C)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 85955673 ZGYAVTLYBOAMLX-NVXWUHKLSA-N 442.269 2.665 0 40 IFAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1Cc2cc(Cl)ccc2O1 96911747 OQUXNLFPPWDPCK-SOWDNDCTSA-N 429.885 2.891 0 40 IFAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccc(F)cc5)CC4)c3CO2)cc1 97943623 DBNQVCCEGIWQRS-NRFANRHFSA-N 449.486 2.595 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 105772127 IWJDJQMESSMPDI-OTWHNJEPSA-N 446.569 2.676 0 40 IFAB COc1ccc(C(=O)[C@H]2[C@H]3[C@H]4CO[C@@H](O4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1OC 106092942 IPPSBXJDMFQYLG-GNQCGMIISA-N 433.460 2.853 0 40 IFAB biogenic,in-vitro CCCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@](O)(Cc2ccccc2)c2ccccc2)C1 107064029 HHVPGPGIUXPQEO-ZJSXRUAMSA-N 444.597 2.685 0 40 IFAB O=C(N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 107288786 PXMTWSFGSHWZCO-HKUYNNGSSA-N 449.486 2.619 0 40 IFAB CC(C)[C@@H](C(=O)NCCc1ccc(OCCN2C[C@@H](C)[C@@H](C)C2)cc1)N1CCCC1=O 108162245 GMDLLBWOFMZYRL-ROKPMTFOSA-N 429.605 2.959 0 40 IFAB CC(=O)O[C@@H]1O[C@@]23CC[C@@]4(O)C[C@H](O)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13 119193013 RXXZRNNOAJTUSW-UAMOHIPDSA-N 446.540 2.626 0 40 IFAB CCOc1ccc(OCC)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)NCc2ccco2)c1 169295600 YNYNFYUQBFGBCL-MXEMCNAFSA-N 426.469 2.902 0 40 IFAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(OC)c(OC)c1 223689578 HJQCEVLDNLVACM-LBPRGKRZSA-N 442.563 2.970 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccccc1C(C)C 223773944 PZGXUFWXYKWABD-UHFFFAOYSA-N 446.569 2.948 0 40 IFAB CCc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 223961270 NNZGGFDRLTVQSE-SFHVURJKSA-N 429.586 2.817 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCCC2)c1)c1ccccc1F 224654413 RQQYPGZGDDAPRW-UHFFFAOYSA-N 433.549 2.894 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 225049583 KEAXPWUURPGDQK-UHFFFAOYSA-N 449.554 2.792 0 40 IFAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CC3(CC(=O)O)CCCC3)C2)c2cnccc2n1 257200610 AEBBWPODWGUAFL-XMMPIXPASA-N 440.544 2.763 0 40 IFAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cc(Cl)cc(Cl)c1 260907927 UIBGMCJUHJIZJD-HNNXBMFYSA-N 445.324 2.716 0 40 IFAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)cc1Cl 408557735 HPPMHSSQGJZXJB-NSHDSACASA-N 428.894 2.671 0 40 IFAB COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 408709769 WVVZQTAYDLPBRF-UHFFFAOYSA-N 431.492 2.923 0 40 IFAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)N(C)C1=S 409208516 GLWDNQUKHOPVGD-YVLHZVERSA-N 444.484 2.986 0 40 IFAB CCN1CCN(C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 409388683 NEAZFNBGOYIAQL-UHFFFAOYSA-N 429.586 2.658 0 40 IFAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCn1cnc2ccccc2c1=O 524731969 RBJPGCBXVMWHJB-SIKLNZKXSA-N 426.561 2.526 0 40 IFAB biogenic NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CCc2ccc(Cl)cc2)CCO1 585285474 YRAFEIVERHAAGM-QFIPXVFZSA-N 434.895 2.964 0 40 IFAB CCOc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccccc3Cl)cc2c1 918606 KASVHOXFGXGAPW-UHFFFAOYSA-N 436.917 2.763 0 40 IFAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1cccc(Cl)c1 2196239 JPIWEYDYKWSXRG-WBVHZDCISA-N 430.888 2.857 0 40 IFAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 2988028 ODDGKRLAJYZJTF-AUWJEWJLSA-N 447.241 2.915 0 40 IFAB CCOC(=O)[C@](Nc1ccccc1OC)(NS(=O)(=O)c1ccccc1)C(F)(F)F 3103512 RBZARVNOGWPRCS-KRWDZBQOSA-N 432.420 2.907 0 40 IFAB CCCn1nc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc2c1=O 3438661 NMVIIOLSEFEOFH-UHFFFAOYSA-N 445.378 2.924 0 40 IFAB C[C@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccccc3)c(=O)c2S1 4142647 XVDYAKZWFRVEBQ-GOEBONIOSA-N 431.583 2.716 0 40 IFAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1 4897623 UAFGJYKFKTZMCC-JOCHJYFZSA-N 425.504 2.602 0 40 IFAB Cc1cc(-c2nnc(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)o2)c(C)o1 7273794 XUWAMCGZZPQTJX-UHFFFAOYSA-N 425.489 2.854 0 40 IFAB CCN1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(=O)OC)C1 8793105 NRVHWOLWXWFRSU-UHFFFAOYSA-N 441.509 2.818 0 40 IFAB O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016713 CKXQLKXGUVKQQR-UHFFFAOYSA-N 439.878 2.793 0 40 IFAB CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1 9095633 KMAURBKBNOCNGY-QGZVFWFLSA-N 447.557 2.760 0 40 IFAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 9351771 KQFSVUSHXCLNGP-CQSZACIVSA-N 435.546 2.571 0 40 IFAB COc1ccc(OCCOC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)cc1 9592012 NDJGLFOZBFUCBT-XMMPIXPASA-N 436.464 2.759 0 40 IFAB CCc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 9746973 SENPTZFJXSNMOI-GOSISDBHSA-N 449.598 2.999 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3nccs3)cs2)cc1 9820458 VKLSBCRWXSVTJA-UHFFFAOYSA-N 437.528 2.540 0 40 IFAB CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1=O 10166430 WWDDDFRFVOGNSG-SNVBAGLBSA-N 430.288 2.974 0 40 IFAB CC1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 11488229 WQWZDSBOCTYZAO-QAPCUYQASA-N 444.981 2.833 0 40 IFAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617781 GAQJLAWXAWDHER-AWEZNQCLSA-N 432.933 2.521 0 40 IFAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCN(C)CC1 12844850 OODAYXXSUSUCJW-CYBMUJFWSA-N 425.480 2.922 0 40 IFAB COc1ccc(-c2nnc(S)n2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 12857667 WEKKRMQAQHKFED-UHFFFAOYSA-N 439.541 2.923 0 40 IFAB C[C@H](NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2)C(=O)O 12896056 LPBCXOFEYIFTLF-LBPRGKRZSA-N 429.469 2.744 0 40 IFAB biogenic CC1=CC=CC2=NC(=O)C[C@@](C)(C(=O)N(CCc3ccccc3)CC(=O)NC3CCCC3)N12 13083000 SLOQBGWNTZRMPF-SANMLTNESA-N 448.567 2.980 0 40 IFAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c(OC)c1 13532949 AXSOWJZAZJDIQB-UHFFFAOYSA-N 441.465 2.522 0 40 IFAB COC(=O)Cc1sc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)nc1C 13945725 SRARNFUZANZASJ-UHFFFAOYSA-N 442.526 2.728 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@@H]1c1ccco1 15378597 OFWQOPLCHMMYTP-HXUWFJFHSA-N 444.919 2.926 0 40 IFAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245826 BWAVOZQLWDCOBT-UHFFFAOYSA-N 432.546 2.711 0 40 IFAB CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 20566531 OGPXOPVGYZCTOV-XCBFCAQUSA-N 447.535 2.772 0 40 IFAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(Cl)cc1 20637086 MOVQWURCHKZERE-WOJBJXKFSA-N 440.931 2.868 0 40 IFAB CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 23421591 RAMTYBZJBNACNE-UHFFFAOYSA-N 434.389 2.605 0 40 IFAB CCN(CC)[C@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1cccc(OC)c1 24948430 SAILVXPITVTSGK-HXUWFJFHSA-N 425.485 2.568 0 40 IFAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 32823504 ODEWQMMTSNUIPL-JKIKYLSZSA-N 438.553 2.869 0 40 IFAB CCc1ccccc1N1C[C@@H](C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)CC1=O 32842064 XCXJRDQFJYWFDQ-AWEZNQCLSA-N 431.418 2.980 0 40 IFAB CCOc1ccc(OCCSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 34892408 IKZVVXBNEJJCJM-UHFFFAOYSA-N 437.587 2.588 0 40 IFAB Cc1c(S(=O)(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)cnn1C(F)F 36614562 SIXDHSQQQZXILA-UHFFFAOYSA-N 427.399 2.659 0 40 IFAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(C(=O)NCCc2ccccc2F)CC1 40120652 SZEIGNZKCCBBLY-KRWDZBQOSA-N 429.540 2.574 0 40 IFAB O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@H]1CCC[C@@H]1Cc1ccco1 43735679 AUDRWADRXKYILE-PXCRPINLSA-N 437.540 2.695 0 40 IFAB biogenic CC(=O)Nc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 49400839 NRONKCWRWCFBCE-UHFFFAOYSA-N 445.523 2.707 0 40 IFAB O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)N1CCCCCC1 56949781 URNDPJXJALTTOG-UHFFFAOYSA-N 443.519 2.883 0 40 IFAB O=C(Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1)c1cccc(Br)c1 58426215 UOELQMREVFQCES-MRXNPFEDSA-N 437.315 2.618 0 40 IFAB COc1ccc(Oc2ncccc2NC(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 72276859 KPLMMFNTLDBWGK-UHFFFAOYSA-N 441.532 2.804 0 40 IFAB CCOc1ccc(CC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1 72325229 ONHUHCVRDLZHQK-RUZDIDTESA-N 435.524 2.961 0 40 IFAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3sc(C)nc3C)nc(N(C)C)c2C1 72372327 FKPBLNBRWKQFLW-SFHVURJKSA-N 442.589 2.888 0 40 IFAB CN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(=O)c2ccc(Cl)cc2)CC3)C1=O 96144041 UDUUTXPNMQOGJZ-QHCPKHFHSA-N 439.947 2.721 0 40 IFAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 102320072 DWPYLYPPXJXUCQ-WEIHXKJBSA-N 443.503 2.923 0 40 IFAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1N1CCCC1=O 219230133 DSRPPUFINCMDOV-UHFFFAOYSA-N 442.497 2.659 0 40 IFAB CC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220640858 VHAXQISUXXSHGI-OAQYLSRUSA-N 431.558 2.589 0 40 IFAB Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)S(C)(=O)=O)c1 224443823 KYHGWRGNQRMWNI-UHFFFAOYSA-N 443.569 2.607 0 40 IFAB Cc1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 224479581 YMHCYLWTTOABDJ-LJQANCHMSA-N 438.933 2.679 0 40 IFAB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)c(OC)c1 224800445 RWZWXTYGCBURMM-UHFFFAOYSA-N 444.303 2.835 0 40 IFAB O=c1[nH]nc(CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1-c1cccs1 225546742 BCWKUKJVSGMNPD-UHFFFAOYSA-N 444.991 2.980 0 40 IFAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 245228260 MAKXRHGKYHEXQX-WAXVDGOESA-N 435.471 2.996 0 40 IFAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)[C@@H](C)N 247997807 NDFFDCQDPHAPKQ-ZGVKLFSVSA-N 448.611 2.780 0 40 IFAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]2Oc2ccccc2)CC1 257242393 ICGULYRGQUFILF-REWPJTCUSA-N 439.531 2.900 0 40 IFAB COC(=O)[C@@H]1C[C@@H](NC(C)=O)[C@H](c2ccccc2)N1C(=O)c1cccc(Cn2ccnc2)c1 257287939 PSCZIHOVMCCICL-VJBWXMMDSA-N 446.507 2.565 0 40 IFAB Cc1ccc(F)c(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)c1 257311478 UJQHNJLWCJULHS-UHFFFAOYSA-N 425.570 2.989 0 40 IFAB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1ccc(OC)cc1)S(C)(=O)=O 260842871 YEYQXHVOYQSPEW-BEFAXECRSA-N 448.541 2.888 0 40 IFAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 306133104 MBYOJTOIWNKMCZ-SJORKVTESA-N 447.495 2.572 0 40 IFAB COc1cc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)c(OC)cc1Cl 408619266 GYJVOBAWYDAIAJ-UHFFFAOYSA-N 430.885 2.897 0 40 IFAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408666404 ZKARDHRQIUWQQJ-UHFFFAOYSA-N 440.452 2.967 0 40 IFAB CC(C)CC(=O)N1CCCN(C)CCN(C(=O)CCCn2cncn2)Cc2ccccc21 643554608 MOCDNDLOMPLTCJ-UHFFFAOYSA-N 440.592 2.802 0 40 IFAB COc1ccccc1-n1c(SCC(N)=O)nc2sc3c(c2c1=O)CC(C)(C)OC3 2295508 KKIFWZISHVDTHD-UHFFFAOYSA-N 431.539 2.885 0 40 IFAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3217116 DBPKYLQESQLWKV-UHFFFAOYSA-N 425.268 2.657 0 40 IFAB CC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1 4875995 BGYHFSYQNLKAGT-UHFFFAOYSA-N 425.485 2.694 0 40 IFAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2=O 8231748 BQIRVOBPIDMCNS-QKFKETGDSA-N 426.517 2.654 0 40 IFAB O=C(NCc1ccncc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@]23C=C[C@H]1O3 9061066 NUDFDUMBRMRBAI-BMQTXXJKSA-N 429.398 2.703 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 9184478 DXFNPKMJZXKAQB-LJQANCHMSA-N 432.498 2.664 0 40 IFAB COc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 9519218 SWNPMAWWYZSGBJ-MRXNPFEDSA-N 431.496 2.741 0 40 IFAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 9549114 NTJAXGRJTNTVFX-MRXNPFEDSA-N 427.464 2.921 0 40 IFAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cc(=O)n2ccccc2n1 9599031 RMEAPKWHDHHJMP-UHFFFAOYSA-N 430.489 2.887 0 40 IFAB O=S(=O)(c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)nc1)N1CCCC1 9670214 ZVFXZLPRSWDNPM-UHFFFAOYSA-N 426.995 2.903 0 40 IFAB O=C(c1cncn1-c1ccccc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9745021 ZTUINNMOAZMMOA-UHFFFAOYSA-N 428.489 2.548 0 40 IFAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2)sc(C(=O)NC)c1C 10898404 JCDQAUVRLFDNQF-ZHACJKMWSA-N 430.482 2.788 0 40 IFAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)oc2c1OC 12296447 AERCIJASRHZSIZ-LJQANCHMSA-N 425.437 2.993 0 40 IFAB biogenic COc1ccc(CCN2CC(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1OC 12660755 SBCIWWDMTLKQBA-VWLOTQADSA-N 433.508 2.870 0 40 IFAB biogenic COc1ccccc1[C@@H]1CN2C(=O)CN(CCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 12879409 IZHCLDJDQCGDCG-BVZFJXPGSA-N 433.508 2.590 0 40 IFAB biogenic Cc1noc(C)c1COc1ccc(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 13100067 AIOHILQBQMFCMB-XMMPIXPASA-N 448.479 2.911 0 40 IFAB CCc1cccc(OCC(=O)N(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 14863344 XGZWFDFSZIEHHW-UHFFFAOYSA-N 425.529 2.952 0 40 IFAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 14933279 LIVFLXICHJOTLK-LJQANCHMSA-N 438.553 2.742 0 40 IFAB COc1ccc(CN(C)[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 15298089 LTTBTXVKVDATDH-LBPRGKRZSA-N 439.434 2.696 0 40 IFAB Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C[C@@H]3SC(=N)NC3=O)cc2)cc1 17094407 VAHDJOHOGJSVPD-KRWDZBQOSA-N 425.466 2.530 0 40 IFAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100626 ZVSUWYAOTPHDHM-UXPWSPDFSA-N 436.574 2.924 0 40 IFAB COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 17370488 JCJGEIXSZKBCPX-MRXNPFEDSA-N 432.542 2.982 0 40 IFAB C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 19459057 FTQUUPWIGVPNNY-RXVVDRJESA-N 443.551 2.843 0 40 IFAB CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)c3snnc3C)C2)nc1-c1ccc(OC)cc1 19698899 REKSNUZZWGMRES-CQSZACIVSA-N 440.529 2.625 0 40 IFAB CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)COc2ccc(F)cc2)CC1 19704757 KTPJGOGZHUFVMS-UHFFFAOYSA-N 425.508 2.790 0 40 IFAB O=C(NCCSC1CCCCC1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20456985 JEOYZSRJKHPAGO-UHFFFAOYSA-N 426.604 2.644 0 40 IFAB O=S(=O)(N1CCCCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 22475304 JADNUOCMYRIZKL-UHFFFAOYSA-N 426.892 2.997 0 40 IFAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1CN1CCOCC1 23805278 VKUYKMWIEWFQGF-UHFFFAOYSA-N 429.904 2.787 0 40 IFAB Cc1ccc2nc(NC(=O)c3nc(S(C)(=O)=O)ncc3Br)sc2c1 27745390 HZZDYPCPJWFRFA-UHFFFAOYSA-N 427.305 2.813 0 40 IFAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(OC)ccc2OC)C1 31066071 DKTVBRVWNUIGIP-OAHLLOKOSA-N 442.468 2.637 0 40 IFAB O=C(CCNC(=O)c1ccc(Br)cc1)NCCN1CCc2ccccc2C1 32017907 VGIFNAFULDBPNX-UHFFFAOYSA-N 430.346 2.744 0 40 IFAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(OC)ccc2OC)cc1 32639737 FNYCABQCKZBDCV-PKOBYXMFSA-N 448.566 2.987 0 40 IFAB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCc1nc3sc4c(c3c(=O)[nH]1)CCC4)C2=O 32745414 AHZCGGQBXWRWKZ-UHFFFAOYSA-N 437.477 2.511 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)OCc3cccc(F)c3)CC2=O)cc1 32867733 GMVWLNBWOKQYLG-KRWDZBQOSA-N 448.516 2.953 0 40 IFAB C[C@@H](NC(=O)c1ccco1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 33527839 IOFLDUPJZUHZNG-PILJQMSFSA-N 447.900 2.904 0 40 IFAB COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Cl)cc1 36056910 ZICVKOCZJFFBBI-QTPGKHNVSA-N 435.908 2.561 0 40 IFAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 36705942 DTIUPDDWJHXWNN-UHFFFAOYSA-N 440.569 2.632 0 40 IFAB COc1ccc(N2C[C@H](C(=O)OCC(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2=O)cc1OC 40066855 MLEIWRVHTMYVSN-OAHLLOKOSA-N 442.468 2.630 0 40 IFAB COc1cccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(Cl)cc5)no4)[C@H]3C2=O)c1 49002697 JRQRILOGTYYZQE-DLBZAZTESA-N 438.831 2.892 0 40 IFAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)c1 57428048 IDSNHHLTUPMSIT-UHFFFAOYSA-N 439.493 2.581 0 40 IFAB CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O 58558581 ADIXPZYYFNDBMW-AWEZNQCLSA-N 427.432 2.739 0 40 IFAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(-n2nnc(C(=O)NC3CCCC3)n2)cc1 71003001 CKLHTMFUIHJNGF-WUXMJOGZSA-N 446.467 2.715 0 40 IFAB Cc1nc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 72371162 COJOYFJBIIDGHQ-FQEVSTJZSA-N 449.555 2.935 0 40 IFAB COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cnc[nH]3)c3ccccc3C(=O)N2C)cc1OC 95478925 NYPGTDDIHZHTMF-FCHUYYIVSA-N 434.496 2.696 0 40 IFAB Cc1cc(C)n(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3Cn3ccnc3)cc2)n1 96006859 SSCPISQEVKLCPR-UHFFFAOYSA-N 435.509 2.853 0 40 IFAB CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn12 96156663 XHNIPJHKZDPRRU-HXUWFJFHSA-N 447.568 2.605 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCCc2ccco2)s1)c1ccc(Cl)cc1 223500128 YAANBOONAZGNFC-UHFFFAOYSA-N 426.907 2.948 0 40 IFAB CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225067620 IEGQZSICHSXVRF-UHFFFAOYSA-N 439.563 2.852 0 40 IFAB COc1cccc(CN(C)CC(=O)N2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)c1 257338761 YYWDHNJVFXMCIA-NRFANRHFSA-N 448.527 2.656 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)Oc2ccccc21 260767470 OVUBHNPAKANHOS-QGZVFWFLSA-N 428.432 2.939 0 40 IFAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OC(C)C 408548081 DBDSOLMTBAUFFX-NTUHNPAUSA-N 441.278 2.701 0 40 IFAB O=C1C[C@H](c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)N2NC=NC2=N1 409378072 NDTFRKRMBDASJO-MRXNPFEDSA-N 431.374 2.899 0 40 IFAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)CCOc3ccc(Cl)cc3)cc2NC1=O 585281429 JIGZQOAEDLKQBL-INIZCTEOSA-N 438.889 2.724 0 40 IFAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCc3nn(C)c4ccccc34)cc2)C[C@@H](C)O1 680568050 SWZHJWZLEHSNQD-CALCHBBNSA-N 435.528 2.822 0 40 IFAB CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 2037916438 BKDYOVDZDFLRHF-QHCPKHFHSA-N 425.508 2.606 0 40 IFAB CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1cc(C)c(C)cc1N 8694506 AWRCSSPLTJLTST-UHFFFAOYSA-N 448.530 2.822 0 40 IFAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCCSc1nc2ccccc2s1 9001496 DZBRQOYCRJLECK-UHFFFAOYSA-N 442.570 2.816 0 40 IFAB CCN(CC)C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 9519835 LAPOFJKLVIJGGF-UHFFFAOYSA-N 433.574 2.686 0 40 IFAB CC1=NN(CCc2ccccc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9707514 AZUNZYRSNVHJJV-UHFFFAOYSA-N 442.523 2.578 0 40 IFAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCCN3CCCC3)Oc3ccccc32)cc1 10450160 HCSUIWFLLPHRBJ-QFIPXVFZSA-N 443.569 2.553 0 40 IFAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2)c2c(C(N)=O)nc(-c3ccc(C)cc3)nc21 12251448 NBZHBIAQJFGEMG-UHFFFAOYSA-N 433.443 2.709 0 40 IFAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)o1 12528719 PACVCUHMLCPRBC-ZHACJKMWSA-N 432.498 2.958 0 40 IFAB O=S(=O)(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1Br 12604705 GKLDSHLXGXNMPM-UHFFFAOYSA-N 431.333 2.790 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N[C@H](C)c3ccccc3C)CC2)cc1 12741282 ZDERSAIKPSWULR-HXUWFJFHSA-N 429.586 2.877 0 40 IFAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCn1c(=O)oc2ccccc21 12985380 YRGNRMCOFTZAAJ-UHFFFAOYSA-N 432.274 2.810 0 40 IFAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCC3)cc2)C1 13041554 NDCFWRZCYCLZJX-BBWFWOEESA-N 436.574 2.957 0 40 IFAB Cc1ccc(C)c(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 13679077 HQVYEFVZLABGKS-SFHVURJKSA-N 433.549 2.946 0 40 IFAB C[C@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 14070525 LRLXPRDKLZVGOU-OKILXGFUSA-N 447.942 2.752 0 40 IFAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 16095789 BDINYXXSARVMNA-UHFFFAOYSA-N 443.861 2.731 0 40 IFAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(C)c2)c1 17123052 OXZKFFOIPWYSEU-UHFFFAOYSA-N 435.509 2.844 0 40 IFAB C[C@H](NC(=O)COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)c1cccs1 18407560 JDSIHZSQAIQEOZ-AWEZNQCLSA-N 449.488 2.775 0 40 IFAB O=S1(=O)N=C([C@H]2CCCN(Cc3ccnc(N4CCCCC4)n3)C2)Nc2ccccc21 19375680 WKUINPJEXVHDLU-KRWDZBQOSA-N 440.573 2.892 0 40 IFAB COc1ccc(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCN(C(C)C)CC4)cc1 19448621 UZMILNDXWRAKDP-UHFFFAOYSA-N 434.540 2.644 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2ccccn2)CCO1 19529278 YMIKUBINFWUZRX-RUZDIDTESA-N 430.508 2.734 0 40 IFAB CCCn1cc(S(=O)(=O)N2CC[C@@H](c3c(C(=O)NC)sc4ncccc34)C2)c(C)n1 19702438 IXINDQJLGKIMJB-CQSZACIVSA-N 447.586 2.749 0 40 IFAB C[C@@H]1CCc2nc(NC(=O)Cn3cc(C(=O)NCc4ccccc4)ccc3=O)sc2C1 19751566 TZCFEBSGSXDULV-OAHLLOKOSA-N 436.537 2.998 0 40 IFAB Cc1cccn2cc(C(=O)N3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)nc12 19761821 DTJXPICEGGBMPK-QGZVFWFLSA-N 443.507 2.543 0 40 IFAB COc1ccc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)c(OC)c1OC 19889346 TVEJARYGTZRATA-UHFFFAOYSA-N 430.501 2.688 0 40 IFAB CCc1cccc2c(/C=C3\N=C(S)N(CC)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 20058671 ZZPSCVJTYFKSFD-HPKGMJOESA-N 440.569 2.988 0 40 IFAB CCOc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1OC 20244470 BIFBCODIGYGCQB-UHFFFAOYSA-N 449.573 2.699 0 40 IFAB O=C(NCCCN(Cc1ccccc1)C(=O)c1cccnc1)c1nc2ccccc2c(=O)[nH]1 22471912 CZHAEMVGZOSCFS-UHFFFAOYSA-N 441.491 2.781 0 40 IFAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 24609146 NPGJTJFLLOQOHB-UHFFFAOYSA-N 427.526 2.522 0 40 IFAB COc1ccc([C@@H](CC(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)NC(C)=O)cc1 32745426 IXNRMOXUGOKKIW-MRXNPFEDSA-N 441.509 2.793 0 40 IFAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 40159114 AYXMUKNHXZBMML-STQMWFEESA-N 440.905 2.586 0 40 IFAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 48354779 VLNGPEQLJOGPIG-SQWLQELKSA-N 438.956 2.869 0 40 IFAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1cccc(C(C)=O)c1 60388049 ARWUDZOGSJRELO-HXUWFJFHSA-N 441.480 2.974 0 40 IFAB O=C(O)c1cc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc2c1OCCO2 71833035 FWJPTWYUKAVWAZ-UHFFFAOYSA-N 440.271 2.670 0 40 IFAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ncccc3C(F)(F)F)CC2)cc1 71887879 KQZICYAPUIPBTH-UHFFFAOYSA-N 428.436 2.603 0 40 IFAB CCOC(=O)C1(O)CCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 72308417 OAJOKMVGPRYWCH-UHFFFAOYSA-N 437.949 2.716 0 40 IFAB O=C(NC[C@@]1(O)CCSC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 72311786 VRJGTSGBNFIBNH-SFHVURJKSA-N 444.937 2.878 0 40 IFAB CC(=O)N1CCC(Cc2cc(-c3ccc(F)cc3)no2)(C(=O)N2CCC[C@H](O)C2)CC1 72395292 OOLCTKAXQNFKQJ-IBGZPJMESA-N 429.492 2.635 0 40 IFAB O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)[C@H]1COc2ccccc2O1 77200564 NTLSGRYANHDEEC-OAQYLSRUSA-N 431.496 2.577 0 40 IFAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Br)cc2S(C)(=O)=O)cc1 89484346 YPBPJZJXOAHISZ-UHFFFAOYSA-N 446.344 2.650 0 40 IFAB COCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)c1ccc(C)o1 95465959 LAUGBKKHTMNPKZ-ZWKOTPCHSA-N 440.587 2.882 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1F 96025556 FLIAHZHRIBPZDK-OAHLLOKOSA-N 427.519 2.851 0 40 IFAB CC(=O)N1Cc2ccccc2[C@@H]2CN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)C[C@@H]21 96156954 CURXBCWJXIMTEU-VXKWHMMOSA-N 432.476 2.837 0 40 IFAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 102863337 CUJINNPSNCDXIT-OALUTQOASA-N 431.492 2.549 0 40 IFAB COc1cccc(-c2noc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)n2)c1 219287271 YWCPGDHQMVREBE-UHFFFAOYSA-N 436.877 2.700 0 40 IFAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1NC(C)=O 224310368 XARQPLYOLZAWMW-UHFFFAOYSA-N 434.587 2.920 0 40 IFAB CCn1ccc(NC(=O)[C@H]2CN(C(=O)c3cccc(N4CCCCC4)c3C)CCN2C)n1 257295147 QXEMWGUKAZDPQL-OAQYLSRUSA-N 438.576 2.597 0 40 IFAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)c1 260805398 CHISVRKABSBLTB-LSDHHAIUSA-N 436.530 2.744 0 40 IFAB COCCOCC(=O)Oc1cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c2cc1OC 263583594 MDXCWJOEJNDHAU-UHFFFAOYSA-N 442.420 2.962 0 40 IFAB O=C(CCn1cnc2ccccc21)NCCn1cc(-c2nc(-c3cccs3)no2)nn1 390826864 CJMWXWSZIBSKDZ-UHFFFAOYSA-N 434.485 2.613 0 40 IFAB CCc1ccccc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O 408627384 ZVCWLHAVWLCJFG-UHFFFAOYSA-N 429.586 2.981 0 40 IFAB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408672712 ZPJRZYZIBOAJRQ-CVSRONHPSA-N 425.268 2.506 0 40 IFAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cc3ccccc3o2)N(C)C)c1 575618735 BYLKSJAYBYEZHI-INIZCTEOSA-N 432.498 2.809 0 40 IFAB Cc1ccccc1OCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585282729 AENLMCIZNRSMSG-QFIPXVFZSA-N 432.904 2.579 0 40 IFAB O=C1CC2(CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)ON1Cc1ccccc1 1549162100 NPZPHZRGPMCHOO-UHFFFAOYSA-N 426.416 2.813 0 40 IFAB C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C2CCCCC2)no1 1628848512 QULYDPXNCCTMFU-YJLNNSPDSA-N 444.507 2.638 0 40 IFAB CC1(C)Cc2n[nH]cc2CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1630694805 IGHINGIKHGOSQK-MRXNPFEDSA-N 429.908 2.879 0 40 IFAB COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2ccnn23)cc1 1772596569 UNFQUQOBCNCENA-UHFFFAOYSA-N 431.496 2.855 0 40 IFAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)nc(OC)n1 652129 QJGAWLYJTRPUMC-UHFFFAOYSA-N 428.470 2.855 0 40 IFAB Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1Cl 3327713 TUFBJCBJJKHZFO-UHFFFAOYSA-N 429.333 2.826 0 40 IFAB CN(C)CCn1c(=O)n(CCc2ccccc2)c(=O)c2sc3c(c21)COC(C)(C)C3 6764379 FOANGKYXPWSQSO-UHFFFAOYSA-N 427.570 2.880 0 40 IFAB Cc1nnc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)s1 9263919 QSARQUQLGNMCKF-HNNXBMFYSA-N 445.574 2.833 0 40 IFAB C[C@@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 9291957 WRKIYHUOQVMIQR-MRXNPFEDSA-N 433.487 2.740 0 40 IFAB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)S(=O)(=O)c1ccc(F)cc1 9376779 CPIHZTSRTQVPGZ-UHFFFAOYSA-N 433.505 2.757 0 40 IFAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1 9884053 HIWUJVXTRNKNJZ-UHFFFAOYSA-N 426.450 2.502 0 40 IFAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 9885049 COVUBVAKCOXXAG-IBGZPJMESA-N 427.570 2.669 0 40 IFAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 10219058 KKPLYEZCDPJKLE-UHFFFAOYSA-N 446.558 2.605 0 40 IFAB Cc1ccccc1-n1c(SC[C@H](O)COc2ccccc2)nnc1N1CCOCC1 10350261 AJUZLDXFJQURIN-GOSISDBHSA-N 426.542 2.944 0 40 IFAB O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1ccc(F)cc1F 11613194 YHCFNWBKEHEZOO-UHFFFAOYSA-N 428.420 2.585 0 40 IFAB O=C(CN1CCOCC1)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 12521377 MSFMRQAZWDLCBX-UHFFFAOYSA-N 425.510 2.911 0 40 IFAB Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@H](C)C(=O)NC3CCCC3)[C@@H]4C2=O)c1 12880477 HDJFCOMZLLMTGQ-XOFWXVISSA-N 438.524 2.580 0 40 IFAB CCOc1ccc(NC(=O)CN2CCn3cccc3[C@@H]2C)cc1S(=O)(=O)N(CC)CC 12943433 DBQHEWSHTXNMQH-KRWDZBQOSA-N 448.589 2.933 0 40 IFAB CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 13038176 ZEUHDWCNTSYKGG-HXUWFJFHSA-N 426.542 2.741 0 40 IFAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)COc2ccc(CC)cc2)c(=O)[nH]c1=O 13057058 UVABTWXDNHABBS-UHFFFAOYSA-N 440.500 2.687 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)c3c(C)nc4scc(C)n4c3=O)C[C@H]2C)c1 13795466 WKHRSFUPVKXEPM-CQSZACIVSA-N 432.571 2.581 0 40 IFAB COc1ccc(OC)c([C@@H](C)N[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 14244244 PBBWDCYHFZPDJP-CVEARBPZSA-N 449.573 2.940 0 40 IFAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c1 14246379 JUXVSGAJECDFAY-SFHVURJKSA-N 436.917 2.767 0 40 IFAB COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1S(=O)(=O)N1CCOCC1 14578789 XLPIVQONKQIRDH-UHFFFAOYSA-N 446.859 2.900 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 14829274 RNFWHEYBNGWCGT-UHFFFAOYSA-N 444.481 2.720 0 40 IFAB Cc1ccc(NC(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)cc1 15019702 RVHUHFUNCMUWKW-UHFFFAOYSA-N 445.570 2.821 0 40 IFAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 16681816 MZJDYPULBFESNT-UHFFFAOYSA-N 428.894 2.916 0 40 IFAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCOc2ccc(Cl)cc2)CC1 18151093 PSOWSWSVUCIOKT-UHFFFAOYSA-N 441.937 2.541 0 40 IFAB CCCn1ncc(CN2CCC(n3nnc4c(O)nc(CSCC)nc43)CC2)c1C 19525937 CBYJLBCSSRZOQY-UHFFFAOYSA-N 430.582 2.932 0 40 IFAB COc1ccc(CN2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)cc1 19701369 NHFCKEDHVSNKLB-UHFFFAOYSA-N 428.577 2.702 0 40 IFAB COc1cccc([C@@H]2CCCN2C(=O)Cn2cccc(C(=O)Nc3nccs3)c2=O)c1 19750580 ROMMJVLRMIRWDY-SFHVURJKSA-N 438.509 2.929 0 40 IFAB NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 19868140 YXUIJOQSZVQPNM-UHFFFAOYSA-N 435.933 2.619 0 40 IFAB CCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 22285891 ZORPVNMLWUHTSF-LHSJRXKWSA-N 435.546 2.556 0 40 IFAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854127 GAJGUKGNUWVNAB-QGZVFWFLSA-N 430.530 2.996 0 40 IFAB COC(=O)c1cn(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)c2ccccc12 23745199 WVWUEUHBRVGQES-LJQANCHMSA-N 427.526 2.679 0 40 IFAB CCN(CC)[C@@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1cccc(OC)c1 24948427 SAILVXPITVTSGK-FQEVSTJZSA-N 425.485 2.568 0 40 IFAB O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 25925519 WGPKBWPOGDZSQE-UHFFFAOYSA-N 427.810 2.505 0 40 IFAB COc1cc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc2c1OCCO2 32819054 OUJLOYXNQZXKFM-LAQIPUCWSA-N 430.526 2.731 0 40 IFAB CC(C)[C@H](C)NC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O 32947200 RCZKUKOBUCVMPP-NEPJUHHUSA-N 442.379 2.793 0 40 IFAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CCN2CCCC[C@H]12 36390161 QSWNRXUFUBCOEN-NHCUHLMSSA-N 433.508 2.848 0 40 IFAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 36397949 STDRRONKXVDPJR-WOJBJXKFSA-N 441.528 2.843 0 40 IFAB CCCc1nnsc1C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 38561516 QWBJHNHCGCSOEU-ZDUSSCGKSA-N 428.605 2.915 0 40 IFAB CCOCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 38771194 YPXNEFSDQPUOOR-UHFFFAOYSA-N 447.395 2.534 0 40 IFAB COc1cc(Br)c(CCNC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1OC 40144478 ACWLTVPBWHJIEZ-GFCCVEGCSA-N 427.339 2.820 0 40 IFAB CC(C)c1nnc(C2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)o1 44098533 VTBSDKOCCBDONQ-CQSZACIVSA-N 429.546 2.682 0 40 IFAB COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 44802658 RVYVVMZYMZCVNQ-GOSISDBHSA-N 448.541 2.503 0 40 IFAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3CCOC)cc2c1 57615804 WEQLXDYEPRUJPD-UHFFFAOYSA-N 438.557 2.987 0 40 IFAB COCCn1ncc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc21 58004830 VTIGCHFUADRPCI-UHFFFAOYSA-N 436.921 2.839 0 40 IFAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccnc3)Oc3cc(C)ccc32)cc1 64986417 LJWUVUXNPWTFEE-OAQYLSRUSA-N 439.493 2.994 0 40 IFAB Cc1cc(NC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)no1 67301206 STQDHSGBOWEOLV-UHFFFAOYSA-N 436.390 2.707 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2nonc2C)c1 71793591 IOFZMTVHDWVIQO-UHFFFAOYSA-N 435.550 2.897 0 40 IFAB Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)CCc2cnn(C)c2)c2ccccc2)c(C)c1 72297591 FCLMIDDUCPFZCA-OAQYLSRUSA-N 440.569 2.806 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72305466 NCAAZENFRVDNRA-KRWDZBQOSA-N 439.578 2.799 0 40 IFAB O=C1CC[C@H](C(=O)N2CC[C@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)N1 72391356 DHWAVXOWVMKZPE-PKOBYXMFSA-N 428.496 2.877 0 40 IFAB COc1ccccc1-n1cnnc1CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 77100530 GMIYANOZKSTIQM-UHFFFAOYSA-N 440.935 2.686 0 40 IFAB COc1ccc(CCc2n[nH]c(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1OC 95473383 ZLIKGXWQSBBAKK-MRXNPFEDSA-N 435.484 2.599 0 40 IFAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206905311 WBEDIZDCFXEWCI-UHFFFAOYSA-N 438.542 2.513 0 40 IFAB CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O 211805559 CNUJKNMOGSRQMN-CABCVRRESA-N 443.541 2.650 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1 219260472 JHTCVCCSIBQCSZ-INIZCTEOSA-N 446.554 2.824 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222371633 LNLFKUHVOVAQLW-IBGZPJMESA-N 445.585 2.541 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 223696420 VQUACFGLFLHQJL-AWEZNQCLSA-N 426.922 2.698 0 40 IFAB O=C(Nc1nnc(S(=O)(=O)NCCOc2ccccc2)s1)c1ccc(Cl)cc1 225105568 NFNAFHNADKYAJJ-UHFFFAOYSA-N 438.918 2.801 0 40 IFAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257202514 AMELWWFURHWRLW-UQQWNHHXSA-N 447.535 2.875 0 40 IFAB Cn1nc([C@@H]2CN(S(=O)(=O)c3ccccc3)CCO2)cc1CCOc1ccccc1F 257285709 PIJXNLYPOSCEPV-QFIPXVFZSA-N 445.516 2.943 0 40 IFAB COc1cccc(OCCc2cc([C@H]3CN(Cc4cn(C)nc4C)CCO3)nn2C)c1 257333448 YBPCOMDKPLFZKL-HSZRJFAPSA-N 425.533 2.666 0 40 IFAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 260740901 ALLZUHRFTDDIQT-CABCVRRESA-N 436.530 2.744 0 40 IFAB CSc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 260840307 UMGCQHVJJWAIAT-CQSZACIVSA-N 436.555 2.823 0 40 IFAB COc1ccc(CCNS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1OC 408604357 MAEDHELLRNSDJW-UHFFFAOYSA-N 432.542 2.769 0 40 IFAB COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OC)cc2OC)C1=O 409215300 XAUJNRZHEYXODL-NVNXTCNLSA-N 428.894 2.546 0 40 IFAB Cc1nc(O)c(Br)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 560679892 SQIRUPVMSNAUMC-MRXNPFEDSA-N 434.334 2.879 0 40 IFAB CNC(=O)C12CCCCN(C(=O)C3CCC3)CCOc3ccccc3C(=O)N(CC1)CC2 643574197 IOPZAXNLCKYMES-UHFFFAOYSA-N 441.572 2.846 0 40 IFAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2N)cc(OC)c1OC 2392620 IRRFYABAKHLROS-UHFFFAOYSA-N 447.492 2.863 0 40 IFAB CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(Br)cc2)c1 2651456 RGOJSGOXXRCIAL-NSHDSACASA-N 426.288 2.785 0 40 IFAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NC[C@@H]4CCCO4)cc3C2=O)c1 3471880 QYTPQYMNEHHQDP-KRWDZBQOSA-N 436.464 2.556 0 40 IFAB O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)NCc1ccco1 4400661 GANWNBUEWKZLNL-UHFFFAOYSA-N 448.526 2.523 0 40 IFAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccccc1Cl 6353945 QBTITTZUJCLZRL-LYPXWFNGSA-N 439.924 2.847 0 40 IFAB Cc1nc2c(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)nc(-c3cccs3)c2s1 8956023 IYJKDCYKMWEUNX-UHFFFAOYSA-N 425.495 2.628 0 40 IFAB COCc1c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)oc2ccccc12 9218407 YBNUIQDIUZOYFD-OAQYLSRUSA-N 436.464 2.704 0 40 IFAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1 9406702 QRZHUJQEZONTRV-UHFFFAOYSA-N 425.851 2.889 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2ccccc2n1 9438538 IQARNJQSOWHGBW-UHFFFAOYSA-N 427.482 2.589 0 40 IFAB CCCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 9612915 MHFDGRKXQKNAAG-OAHLLOKOSA-N 449.504 2.547 0 40 IFAB COc1ccc(Cn2c(C)cn3c4c(=O)n(Cc5ccccc5C)c(=O)n(C)c4nc23)cc1 9712996 ZPSOVMAJVINGEC-UHFFFAOYSA-N 443.507 2.871 0 40 IFAB Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2)ccc1F 9748596 ZMXJAGJOKULREK-GOSISDBHSA-N 447.532 2.822 0 40 IFAB COc1ccc(CCn2c(SCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 9914360 DIUJCOKRUXZXTA-UHFFFAOYSA-N 436.537 2.977 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccc(C)cc2)cc1 10111407 XRQIZSYAFFATRS-UHFFFAOYSA-N 433.574 2.657 0 40 IFAB COc1ccc(-n2ccnc(SCC(=O)Nc3cc(OC)cc(OC)c3)c2=O)cc1 10272569 ZNCSQSSRGZMEGH-UHFFFAOYSA-N 427.482 2.989 0 40 IFAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692950 FKEZXDHGNGDQBW-UHFFFAOYSA-N 436.405 2.603 0 40 IFAB CC(C)NC(=O)NC(=O)CSc1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccco1 11426937 OQPXRPMGFKRGOH-GJZGRUSLSA-N 434.566 2.728 0 40 IFAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4OC)ncn3n2)cc1 11666427 ZIVBVZRUEAYDFC-UHFFFAOYSA-N 449.467 2.613 0 40 IFAB C[C@H]1Cc2nc(SCC(=O)NC[C@H]3CCCO3)n(CCc3ccccc3)c(=O)c2S1 11726655 BAPZIGHNHFKSOG-DOTOQJQBSA-N 445.610 2.910 0 40 IFAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c1C 12347941 CSTBZNRLNIERSR-UHFFFAOYSA-N 429.933 2.944 0 40 IFAB CCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(C)c1 12770382 JXHSHRDMOZUURF-QGZVFWFLSA-N 436.603 2.791 0 40 IFAB O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12787591 GLSCOCPCYRZZKF-UHFFFAOYSA-N 430.860 2.530 0 40 IFAB COc1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)cc1Cl 12815903 XPIJEGJHFYWPAP-UHFFFAOYSA-N 441.889 2.931 0 40 IFAB Cc1ccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 13624268 BMMPFCXNJUZBPB-UHFFFAOYSA-N 429.542 2.541 0 40 IFAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(-n2cncn2)cc1 14198967 QCLBAZPGSZQEBJ-QGZVFWFLSA-N 449.536 2.918 0 40 IFAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)c1C 14239122 HRHZYCVBEDSHQP-UHFFFAOYSA-N 448.567 2.822 0 40 IFAB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NCCC1=CCCCC1)c(=O)n2CC(C)C 14354582 QCGHVFYQNCSZQX-UHFFFAOYSA-N 429.565 2.678 0 40 IFAB COc1ccc(-n2ccn3c(CCC(=O)NCCCc4ccccc4)nnc3c2=O)cc1 15736456 KZFFYRWYNPBZCI-UHFFFAOYSA-N 431.496 2.570 0 40 IFAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccccc3)CC2)cc1C 16678342 QUVAKWOJLXSLFT-UHFFFAOYSA-N 445.585 2.753 0 40 IFAB CCc1ccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)cc1 16756198 USABCQUNHRAOPH-UHFFFAOYSA-N 443.529 2.978 0 40 IFAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc(F)cc2)c1 16960676 ZHJGILKFQSDCRQ-UHFFFAOYSA-N 439.472 2.675 0 40 IFAB COc1cccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 19497299 LHNVYBIZWLCQSN-IRXDYDNUSA-N 440.544 2.616 0 40 IFAB COc1ccccc1C(=O)N1CCC(c2n[nH]cc2C(=O)N2C[C@H](C)O[C@H](C)C2)CC1 19497319 ZVKNRSZLMAGJLF-IYBDPMFKSA-N 426.517 2.688 0 40 IFAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3c(C(C)C)noc3C)nc21 19698093 RHVYTXOBRKRLSG-UHFFFAOYSA-N 429.521 2.793 0 40 IFAB COc1ccc(OCc2sc([C@@]3(O)CCCN(CC(=O)N(C)C)CC3)nc2C)cc1 19705204 PDHDBBHRPHTOFM-JOCHJYFZSA-N 433.574 2.801 0 40 IFAB NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19861155 BNYGLOCDBUDDHH-HNNXBMFYSA-N 435.933 2.619 0 40 IFAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCOCC3)cc2c1 19940355 ONAJQDJJAWMULW-NRFANRHFSA-N 438.532 2.840 0 40 IFAB CN1c2ccccc2-c2nc(SCC(=O)c3ccc4c(c3)OCO4)ncc2S1(=O)=O 20582753 GIQMVTGFNSNXLE-UHFFFAOYSA-N 441.490 2.986 0 40 IFAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCN(c2ccc(F)cc2)CC1 20729355 XLMQPMBQDMNRTB-UHFFFAOYSA-N 431.269 2.526 0 40 IFAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1OC)C(=O)OC 20761854 IMHMHQBFJNVXRB-XVGQJIODSA-N 430.505 2.672 0 40 IFAB biogenic Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)N2CCN(C)CC2)cc1 22796656 PVAWDZYQGMWHAN-FQEVSTJZSA-N 432.927 2.831 0 40 IFAB CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccccc2)NC(=O)N[C@@H]1CC 23935387 XONWMZZQKZKPEA-OAHLLOKOSA-N 438.513 2.816 0 40 IFAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 28751944 RKGXECVHGCJWCG-FDDCHVKYSA-N 436.556 2.660 0 40 IFAB C[C@H]1CN(S(=O)(=O)CCNc2nc(-c3ccncc3)nc3ccccc23)C[C@H](C)O1 29625495 CKVSNJVNDXVNSE-HOTGVXAUSA-N 427.530 2.543 0 40 IFAB Cn1c(=O)c2c(SCc3nc(-c4cccs4)no3)nc(C(C)(C)C)nc2n(C)c1=O 32672128 IXLWGKBTWSIPSV-UHFFFAOYSA-N 444.542 2.729 0 40 IFAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 32860121 UQOBMEGCQOJZEZ-UHFFFAOYSA-N 432.933 2.697 0 40 IFAB Cc1cc(C)n(CCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)n1 32889321 XUILDGXHGJHNOA-UHFFFAOYSA-N 428.924 2.938 0 40 IFAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccc(F)cc1F 34863360 RKRIZCGUHNQLLK-UHFFFAOYSA-N 435.905 2.625 0 40 IFAB CCN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 38263339 XJJYTGZZOWDWRK-QGOAFFKASA-N 427.570 2.653 0 40 IFAB O=C(CCS(=O)(=O)c1ccccc1)NCCOc1ccc(-c2ccc(F)cc2)nn1 38486363 JYNHRAXPRXWOLR-UHFFFAOYSA-N 429.473 2.642 0 40 IFAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCS(=O)(=O)N1CCc2ccccc21 40089566 OALKLTQEYXZDHS-UHFFFAOYSA-N 426.538 2.647 0 40 IFAB CCn1c(C)c([C@@H](c2ccc3c(c2)OCO3)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O 40568630 PHPOLOHHDILWDQ-JOCHJYFZSA-N 438.480 2.987 0 40 IFAB Cc1cccc(C)c1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 44857314 OQMMMIBJZZOQRC-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB CC1=NN(c2ccc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2)CC1 48236861 ZOHDJVRIFQEVEU-UHFFFAOYSA-N 432.571 2.917 0 40 IFAB CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 48309479 AEWJBIXXIZVCOE-GOSISDBHSA-N 441.503 2.540 0 40 IFAB CCc1cc(=O)n(CC(=O)NCc2ccc(OC)c(OC)c2)c(-c2ccc(F)cc2)n1 57508816 XSOLKXKSICRTCF-UHFFFAOYSA-N 425.460 2.945 0 40 IFAB COc1cc(C(=O)O[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)ccc1OCC(N)=O 58613100 BXZREHZKWRKKBE-GFCCVEGCSA-N 429.404 2.975 0 40 IFAB COc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1O 72191446 XPMUUHHTSUAWQR-UHFFFAOYSA-N 429.454 2.909 0 40 IFAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@H]1c1ccc(Nc2ncccn2)cn1 72353141 IOEVKRTVNATEGO-IBGZPJMESA-N 438.513 2.964 0 40 IFAB Cn1nc(C(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)ccc1=O 72354890 BIUXNZGNRMTFTF-MRXNPFEDSA-N 444.417 2.816 0 40 IFAB O=C(C1CCOCC1)N1CCc2nc(C3CCN(Cc4ccsc4)CC3)[nH]c(=O)c2C1 72399019 SWVLDZCRUMWTLN-UHFFFAOYSA-N 442.585 2.522 0 40 IFAB O=C(O)c1cnn([C@@H]2CCCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)C2)c1 95982571 ACMFQCOSGHSTCM-QGZVFWFLSA-N 438.440 2.669 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5cccc(C)c5)no4)[C@H]3C2=O)cc1OC 101271726 AXOPBPFEGRIBNL-RTBURBONSA-N 448.439 2.556 0 40 IFAB CCN1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2C)CC1 102120172 DVEFCAILRAQDFB-WOJBJXKFSA-N 426.561 2.641 0 40 IFAB O=C(COc1ccccc1Cl)Nc1ccc(OCc2cc(=O)n3nc[nH]c3n2)cc1 102621573 LPSBLFHJAHFXSO-UHFFFAOYSA-N 425.832 2.668 0 40 IFAB COc1cccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 104128672 CHLXXYQDTALRRI-OALUTQOASA-N 439.961 2.778 0 40 IFAB COc1ccc(/C=C/C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 107450056 CUGWRTDSJIMDHZ-KVSCNESGSA-N 448.585 2.670 0 40 IFAB CC[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1cccc(C)c1)S(C)(=O)=O 220526679 ZASPJAQVOCEUSU-SFHVURJKSA-N 428.514 2.906 0 40 IFAB Cc1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 224116889 MBHAQPICXGBTQO-UHFFFAOYSA-N 448.541 2.774 0 40 IFAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl 224905318 ZEQOZBRTEUQCKC-UHFFFAOYSA-N 442.877 2.596 0 40 IFAB O=C(c1cncc(Br)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 252523037 BRHGZSMIVOCUTE-UHFFFAOYSA-N 443.301 2.918 0 40 IFAB COc1ccc(C[C@@H]2CC[C@@H](CCC(=O)N[C@@H]3CN4[C@@H]3SC(C)(C)[C@H]4C(=O)O)O2)cc1 253388546 VDDXUGGVJSQYDR-FSAOVCISSA-N 448.585 2.671 0 40 IFAB biogenic CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3cccc4c3CCCC4)CCN2C(C)=O)c1 257215339 CPQNJYNCZUUMAX-XMMPIXPASA-N 448.567 2.769 0 40 IFAB CCCN1CCN(C(=O)CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257254461 KDDLDNQPNXZHBZ-FQEVSTJZSA-N 439.531 2.998 0 40 IFAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccccc1 408586441 AAUVGDQXIKAYKU-HNNXBMFYSA-N 438.933 2.617 0 40 IFAB COCCCN1C(=O)S/C(=C/c2ccc(OCC(=O)O)c(Br)c2)C1=O 409239775 QHHHQFBPEKAXIP-MDWZMJQESA-N 430.276 2.985 0 40 IFAB COCCNC(=O)c1ccc2c(c1)[C@@H](C1CCN(C(=O)Cc3ccccc3)CC1)C(=O)N2 585113258 WQRYSDAMEUTJDY-HSZRJFAPSA-N 435.524 2.580 0 40 IFAB CCc1ccc(S(=O)(=O)N2CCC(n3nc(-n4nc(C)cc4C)ccc3=O)CC2)s1 1775969600 BVUXIFZALSNYQL-UHFFFAOYSA-N 447.586 2.696 0 40 IFAB Cc1nc2ccccc2n1CCCC(=O)NC[C@]1(O)CCCN(c2ccc(F)cn2)C1 2037880162 KTWIALCFZYZMQP-HSZRJFAPSA-N 425.508 2.807 0 40 IFAB COc1ccc(NC(=O)N2C[C@H]3CN(c4cc(-n5nc(C)cc5C)ncn4)C[C@@H]3C2)cc1 2086896903 WEDBGPNLWWMDNX-QZTJIDSGSA-N 433.516 2.888 0 40 IFAB COc1ccc(OC)c(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)c1 886328 KGQGUKWFHBSXKX-SFHVURJKSA-N 448.541 2.503 0 40 IFAB CCc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)s1 2625182 OPRUQJZBQJYRHB-NSHDSACASA-N 434.465 2.911 0 40 IFAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c1C 3416467 CWJXHHJGZSZOHY-UHFFFAOYSA-N 439.468 2.886 0 40 IFAB CCNC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 8670724 IXKPYECWMPSXOQ-OFNKIYASSA-N 440.496 2.867 0 40 IFAB COc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)c1 9095589 IWSBBZGIVWSLDJ-GFCCVEGCSA-N 445.522 2.700 0 40 IFAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9336511 XKYBYGYMXMCVOH-OAHLLOKOSA-N 436.917 2.693 0 40 IFAB COc1cc(NC(=O)[C@@H](NC(=O)N2CC(=O)Nc3ccccc32)C(C)C)cc(OC)c1 9410712 PLYHVDLQNWTQSG-FQEVSTJZSA-N 426.473 2.835 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 9497904 ABLHDOFKYOYOFY-UPCLLVRISA-N 434.496 2.694 0 40 IFAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 9587808 XLPRAZFHBJIUQL-UHFFFAOYSA-N 428.514 2.606 0 40 IFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1OC 9715371 UQAFZAQYFYJUCK-GJZGRUSLSA-N 434.514 2.754 0 40 IFAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1OC 9715373 UQAFZAQYFYJUCK-HUUCEWRRSA-N 434.514 2.754 0 40 IFAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)S(=O)(=O)c1ccc(Cl)s1 9882797 WPDOZVXBUVZZBX-UHFFFAOYSA-N 447.991 2.700 0 40 IFAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1OC 10008941 FYVASHZFFUJXQE-UHFFFAOYSA-N 433.530 2.774 0 40 IFAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CS(=O)(=O)C3)c1 10250530 PZCODWNEDCPTRI-UHFFFAOYSA-N 442.541 2.554 0 40 IFAB COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337452 SIPQBQSPXTZCNS-UHFFFAOYSA-N 426.491 2.713 0 40 IFAB COc1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 10715542 VPKQUUHJRPJCBM-UHFFFAOYSA-N 432.498 2.665 0 40 IFAB Cc1nc2cc([C@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c(O)c1C 12161494 VOROXMMOWVDHOS-LJQANCHMSA-N 442.541 2.752 0 40 IFAB COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)NCCCO 12437025 GIGOTERDVGGELR-LGMDPLHJSA-N 433.302 2.727 0 40 IFAB Cn1c(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)nc2ccccc21 12540394 COPKWKASDMEMCB-VWLOTQADSA-N 441.491 2.810 0 40 IFAB CC(C)N(CCn1c(SCC(=O)N2CCCC2=O)nc2ccccc2c1=O)C(C)C 12622534 OXBWCWIAMZOJSU-UHFFFAOYSA-N 430.574 2.756 0 40 IFAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 12692508 YUMUFWWDDSHUJE-UHFFFAOYSA-N 428.514 2.839 0 40 IFAB Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)c(=O)n(-c2ccccc2)n1C 12936813 LNVWTDLHWQPNHU-HNNXBMFYSA-N 449.540 2.794 0 40 IFAB COc1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 13120868 CMWGQYIWPLKZOY-UHFFFAOYSA-N 442.892 2.636 0 40 IFAB CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 13494485 MSIDSPNTTAXSPL-UHFFFAOYSA-N 431.514 2.755 0 40 IFAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 13596174 BNHTZJZZRTWMAE-UHFFFAOYSA-N 432.498 2.909 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3Cl)CC2)c1 15858240 BJITZKRITTULBO-UHFFFAOYSA-N 447.944 2.677 0 40 IFAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 15974946 HOZLIFOBQUNCMT-JJXSEGSLSA-N 430.302 2.778 0 40 IFAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCCOC)s1 17287153 JMHDHQHIEDQLKL-UHFFFAOYSA-N 432.589 2.916 0 40 IFAB COc1ccccc1CNC(=O)c1cc(C2CCN(C(=O)CN3CCCCC3)CC2)no1 19570804 UQPAZHZFORMBBD-UHFFFAOYSA-N 440.544 2.805 0 40 IFAB Cc1nc([C@]2(O)CCCN(C(=O)CN(C)C)CC2)sc1CCOc1ccccc1F 19705452 TWGQWGZNIJRTPZ-QFIPXVFZSA-N 435.565 2.974 0 40 IFAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)c1sc(C)nc1C)C2 19710918 VJAGJIRKRROONS-UHFFFAOYSA-N 428.562 2.516 0 40 IFAB Cc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19741601 RLIWANFKWLSQMC-SFHVURJKSA-N 439.535 2.671 0 40 IFAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)c1 22230006 TZXXYTQZFMTRNS-LJQANCHMSA-N 431.514 2.754 0 40 IFAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 22251701 VFACEVKTXWPNEC-JXMROGBWSA-N 443.569 2.562 0 40 IFAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 22524303 FFLKGKQDPGUYBR-HNNXBMFYSA-N 434.514 2.894 0 40 IFAB Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCc2ccc(Cl)cc2)c1 24605407 DNFVNYPCOWYMNO-LJQANCHMSA-N 436.961 2.540 0 40 IFAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1nnc2n1CCC2 26948160 AZACQORQOXOBHE-UHFFFAOYSA-N 431.525 2.881 0 40 IFAB O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NCCc1nc2ccccc2s1 27458009 GNBBTCYKQSSFLT-UHFFFAOYSA-N 426.517 2.552 0 40 IFAB CCOC(=O)C1=C(COC(=O)c2ccccc2SC[C@H]2CCCO2)NC(=O)N[C@@H]1C 32747091 HCUCHQZEOIBPPC-ZIAGYGMSSA-N 434.514 2.633 0 40 IFAB COc1ccccc1CCN1CC(=O)N(c2ccc(C(C)C)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 36589905 MHYFMOLJWVSSQA-FGZHOGPDSA-N 442.581 2.876 0 40 IFAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cn2)n1 48250469 ZUCIBMLPCJDGNN-UHFFFAOYSA-N 439.541 2.526 0 40 IFAB COc1ccc(NC(=O)Cn2nc3nc(Nc4ccc(F)cc4)ccn3c2=O)cc1F 49410793 PSXABOQVQXUTDZ-UHFFFAOYSA-N 426.383 2.560 0 40 IFAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 58787936 YLKMUMFBPQFDDC-QGZVFWFLSA-N 429.542 2.864 0 40 IFAB CCN(c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(C)C 60384316 MVYLLRIRWNLZTC-UHFFFAOYSA-N 447.557 2.952 0 40 IFAB CC1(C)Cc2cccc(OCC(=O)NCCn3nc(C4CC4)n(-c4ccccc4)c3=O)c2O1 77100612 AHHFYUDGNVVOJI-UHFFFAOYSA-N 448.523 2.820 0 40 IFAB CCOc1ccccc1O[C@@H]1CCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 78877645 XHVXGKLHCVISMG-HZPDHXFCSA-N 438.571 2.884 0 40 IFAB O=C([C@H]1CSc2nccc(=O)n2C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 90609890 YPUKPJPSRGHZHT-OAQYLSRUSA-N 446.576 2.899 0 40 IFAB CC(C)(C)c1cc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 95389702 ZQUVKIIYWGMZLP-FUHWJXTLSA-N 445.589 2.941 0 40 IFAB CC1=C(C(=O)OCCO[N+](=O)[O-])[C@@H](c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 100644664 UKKGXITYIIMGLF-CQSZACIVSA-N 431.323 2.926 0 40 IFAB CCc1cc(O)n2nc([C@H]3CCN(C(=O)Cc4cc(OC)c(OC)c(OC)c4)C3)cc2n1 100727501 PRNANNDSROANQE-HNNXBMFYSA-N 440.500 2.582 0 40 IFAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2cccc3ccccc23)CC1 101331556 NAUYEBGIYLJDLH-DHIUTWEWSA-N 431.536 2.825 0 40 IFAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccnn1Cc1ccc(Br)cc1 102897524 VZFPLWKQYVFYNR-HZPDHXFCSA-N 445.317 2.808 0 40 IFAB COc1cc([C@H]2N=C(N3CCc4ccccc43)Nc3nc(C)cc(=O)n32)cc(OC)c1O 104279986 UZXJNXXBZRGFTO-NRFANRHFSA-N 433.468 2.666 0 40 IFAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)ccc1OCC(=O)O 107776736 IMVBWENEZXXUKE-BOPFTXTBSA-N 448.497 2.598 0 40 IFAB Cc1ccc(C)c(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1 206772048 PDWUTZYKWHRYBG-KRWDZBQOSA-N 442.541 2.508 0 40 IFAB CC(C)Oc1cccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220114617 HXSUDHDXWRAYPT-UHFFFAOYSA-N 444.513 2.606 0 40 IFAB COc1cc(CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc(OC)c1OC 222558857 JRNHDWQRABKNHZ-UHFFFAOYSA-N 434.514 2.572 0 40 IFAB Cc1ccc(-c2noc(CNC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)n2)cc1 223125747 IHWZDFLAGYTTKX-UHFFFAOYSA-N 448.932 2.776 0 40 IFAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-n1cnnc1 223488278 GNXDDCCYOSXUKT-LEWJYISDSA-N 430.541 2.971 0 40 IFAB O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccc(Oc2ccccc2)cc1 224174350 GFBULYNWBVREMU-UHFFFAOYSA-N 426.498 2.584 0 40 IFAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(F)cc3)CC2)c1 224350292 ZNKMHDLUHYTMKE-UHFFFAOYSA-N 434.533 2.871 0 40 IFAB CC(=O)c1cccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c1 224850842 LWWMZIXSHBZSIU-UHFFFAOYSA-N 432.542 2.768 0 40 IFAB Cc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@H]2C)c1 248100668 JJZWQJXLFLTGNE-DVECYGJZSA-N 443.613 2.951 0 40 IFAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccccc1C(C)C)O2 260949501 XIUJSPVEPIDNNF-OAQYLSRUSA-N 432.542 2.841 0 40 IFAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3C)cc2)C1 408615367 PMRCHFRXKHMFKG-SFHVURJKSA-N 439.512 2.518 0 40 IFAB C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408669483 WERFHGLNPCVQLG-MASOJFRBSA-N 437.279 2.671 0 40 IFAB COC(=O)Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 522197953 WLEXMRPRCILTAV-UHFFFAOYSA-N 434.489 2.581 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 636348875 KKAGQESAUYNBCQ-SFHVURJKSA-N 445.516 2.871 0 40 IFAB CC(=O)N1CCCN(C)CCN(C(=O)c2cc(CC(C)C)nc(O)n2)Cc2ccccc21 643557115 DXPWLBMOLYWZJK-UHFFFAOYSA-N 439.560 2.712 0 40 IFAB Cc1cc(C(=O)N2CCCCC3(CO)CCN(CC3)C(=O)c3ccccc3OCC2)no1 643579111 UDXFSIOKKZSVRG-UHFFFAOYSA-N 441.528 2.903 0 40 IFAB O=C1Cc2cc(C(=O)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)c(Cl)cc2N1 1116174388 VUNKUQDYPYDKQQ-MRXNPFEDSA-N 427.888 2.673 0 40 IFAB COc1cc2cc(CN(CCO)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC 895317 PMXXWKCAXWRYII-UHFFFAOYSA-N 431.489 2.876 0 40 IFAB COc1ccc(Br)cc1CN(C)CC(=O)NCC(=O)Nc1ccc(F)cc1 8705901 NTNOWTCXBFHAGT-UHFFFAOYSA-N 438.297 2.784 0 40 IFAB CCOC(=O)[C@@H](CSCCCN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 8873883 WMSSBGGUKFINNY-MRXNPFEDSA-N 436.530 2.862 0 40 IFAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F 9139688 UOLFQGAPVFBEBG-UHFFFAOYSA-N 428.432 2.696 0 40 IFAB O=C(CSc1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1)NCc1ccco1 9244691 GCMSVPDLYGQOCO-UHFFFAOYSA-N 434.481 2.916 0 40 IFAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)ccc21 9464027 IMMQVXDEHMHZCF-FGZHOGPDSA-N 434.492 2.604 0 40 IFAB CN1CCC2(CC1)C[C@H](NC(=O)CCc1nc3ccccc3c(=O)[nH]1)c1ccccc1O2 9494139 RBTDROBTCLRASB-FQEVSTJZSA-N 432.524 2.960 0 40 IFAB Cc1cc(C)cc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 9851690 BRKAXORFSGNKCR-UHFFFAOYSA-N 427.512 2.849 0 40 IFAB Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1 9860623 MHEKEANIQYUDEJ-RTBURBONSA-N 429.567 2.648 0 40 IFAB C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NCC(=O)NC1CC1 10087602 PQXXYOWABZAYFN-GFCCVEGCSA-N 442.566 2.668 0 40 IFAB CC1CCN(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1 10540768 GLZHIHYSHOTUJL-UHFFFAOYSA-N 436.405 2.998 0 40 IFAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCc2sccc2C1 10922663 KCGGLUNVQAKHRL-UHFFFAOYSA-N 429.361 2.764 0 40 IFAB COc1ccc(C(=O)OCc2cn3cc(C)ccc3n2)cc1S(=O)(=O)N1CCCC1 12520256 DODNJBBNOYKTIZ-UHFFFAOYSA-N 429.498 2.793 0 40 IFAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 12537149 AGIKBWMRPPDKJT-LJQANCHMSA-N 449.429 2.770 0 40 IFAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)c1 12700586 ZAJBLWFMAFHBEX-GFCCVEGCSA-N 427.482 2.905 0 40 IFAB CCCCn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1OC)c(=O)n2CCCC 13039073 FBSVKWNJOAINDD-UHFFFAOYSA-N 427.505 2.607 0 40 IFAB Cc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCCc3c[nH]c4ccccc34)ccc12 13692704 ZTPPMQFYJIOPHB-UHFFFAOYSA-N 447.491 2.745 0 40 IFAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)s2)cc(C(=O)OC)c1 14256921 QHNKXFDIDMWGNL-UHFFFAOYSA-N 434.289 2.885 0 40 IFAB C[C@@H](O)CN(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(C)C[C@@H](C)O)cc2)cc1 16576377 GFZJTJBFMKYCJZ-IAGOWNOFSA-N 428.533 2.966 0 40 IFAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc3c(c2)OCO3)c2ccco2)cc1 16954371 ACNRBVFQFBPROT-HXUWFJFHSA-N 429.450 2.962 0 40 IFAB C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)C(=O)N1CCc2ccccc21 17127687 OWLZIAPEBAFWSL-CYBMUJFWSA-N 448.928 2.915 0 40 IFAB O=C(c1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 19347549 INHOSCYXIBVXFT-NRFANRHFSA-N 433.487 2.840 0 40 IFAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)COc4ccccc4)C3)[nH]c2C(N)=O)cc1 19698840 DNIIPRXEMNPYSZ-KRWDZBQOSA-N 434.496 2.969 0 40 IFAB CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 19756624 HOHGIERECVHXMB-HXUWFJFHSA-N 431.968 2.517 0 40 IFAB O=C(NCCO)c1cc([C@H]2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)C2)nc2ccccc12 19756958 ZAPDTSWNOABSJH-AWEZNQCLSA-N 447.470 2.602 0 40 IFAB CCOC(=O)c1ccc(NC(=O)C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1 20033365 ZMPRNGMTHUGQEM-CQSZACIVSA-N 426.469 2.965 0 40 IFAB Cc1ccc(CSCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 20040667 QSFWCRCYEGPJCT-UHFFFAOYSA-N 448.610 2.820 0 40 IFAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1C(=O)N1CCCC1 20459644 MUWWDLCZPHZOPV-UHFFFAOYSA-N 443.525 2.859 0 40 IFAB O=C(Cc1ccc2c(c1)OCCO2)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22227423 WUURITBRIOQKBL-UHFFFAOYSA-N 444.553 2.534 0 40 IFAB O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)NCCc1ccc(F)cc1 22594468 DUZKFKOBFQWFOV-GOSISDBHSA-N 433.553 2.647 0 40 IFAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 22688942 KJURTZNAPLKWKB-LFYBBSHMSA-N 425.466 2.509 0 40 IFAB O=C(C[C@H]1Oc2ccccc2NC1=O)OCc1nnc(-c2ccc(Br)o2)o1 23267882 NNSRHVCFNCJPJL-GFCCVEGCSA-N 434.202 2.925 0 40 IFAB O=C1CN(C(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c2ccccc2N1 24607889 IGIWKZPSOKQESM-UHFFFAOYSA-N 437.452 2.987 0 40 IFAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(N2CCCC2=O)cc1 32747275 ZFKWMGOHZHERLA-HXUWFJFHSA-N 430.464 2.641 0 40 IFAB COc1cc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc(Cl)c1OCC(N)=O 32899095 CRPFISGGLJFYHR-UHFFFAOYSA-N 433.892 2.737 0 40 IFAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCO)c1ccc(Cl)c(Cl)c1 33422434 LDFOKHSKCRWPQX-UHFFFAOYSA-N 447.340 2.614 0 40 IFAB CCn1nc(C)c(CN2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c1C 36616625 QPQVTFUIVGTLAS-UHFFFAOYSA-N 435.576 2.945 0 40 IFAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCCOc1ccccc1 37503514 WEFOLVTZWYTPIB-PXAZEXFGSA-N 448.324 2.643 0 40 IFAB COc1ccc(Cl)cc1CC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 40072075 JCJXLSCULLWAJZ-UHFFFAOYSA-N 443.997 2.545 0 40 IFAB COCCOc1ccc(S(=O)(=O)Nc2ccc(-n3ccc(C(=O)O)n3)cc2)cc1C 58441396 BGFOFXOKCMCWIU-UHFFFAOYSA-N 431.470 2.705 0 40 IFAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1 58441697 UAYJKBSVWCWFDI-UHFFFAOYSA-N 448.545 2.914 0 40 IFAB O=C(c1ccc(Br)cc1F)N1CCN(CC(=O)N2CCc3ccccc32)CC1 59419247 VHDVDZMELOKJJM-UHFFFAOYSA-N 446.320 2.935 0 40 IFAB Cc1ccc(F)cc1-n1ccn(CC(=O)Nc2cccc(Br)c2)c(=O)c1=O 67320346 QWZRIXRGVGWWLC-UHFFFAOYSA-N 432.249 2.848 0 40 IFAB CS(=O)(=O)c1cccc(-c2nnc(C3(c4ccc5c(c4)OCO5)CCOCC3)o2)c1 71889939 NHZKYYSCOMIFPZ-UHFFFAOYSA-N 428.466 2.965 0 40 IFAB CN1C(=O)CO[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 72241261 AFZNOOBAAIHZAW-FCHUYYIVSA-N 427.932 2.583 0 40 IFAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1 72307362 SCBNBRBZRYLTJQ-UHFFFAOYSA-N 446.591 2.500 0 40 IFAB CCCO[C@@H]1CCCN(CC(=O)N2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 72373057 STNNVXVUQYJFFX-VQTJNVASSA-N 430.593 2.567 0 40 IFAB COc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 90558868 MMNJLHPRPYNOEE-UHFFFAOYSA-N 441.513 2.529 0 40 IFAB COc1ccc(-c2ccc(S(=O)(=O)N3CC(S(=O)(=O)Cc4ccco4)C3)cc2)cc1 96122144 SCAMYYHEJJGTHC-UHFFFAOYSA-N 447.534 2.943 0 40 IFAB COC(=O)C1=NN(c2cccc(C)c2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100935187 OJSVDQXXYFVJIC-WBVHZDCISA-N 442.269 2.665 0 40 IFAB CCc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 165680742 SAGOKZYJRUTVKU-WYZBVHOTSA-N 426.513 2.786 0 40 IFAB COc1c2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)c4ccc(F)cc4)C3)cc2nn1C 207983511 ADSSYKFDKJCGHE-QGZVFWFLSA-N 431.489 2.800 0 40 IFAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 223188414 OOGNCTVFELEPSV-QGZVFWFLSA-N 428.554 2.996 0 40 IFAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)CC1 223224128 ZZHUDHORHDZLCA-HXUWFJFHSA-N 435.977 2.930 0 40 IFAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1NC(C)=O 223757449 MZROZPGYYVYXBB-UHFFFAOYSA-N 449.554 2.640 0 40 IFAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)c1 223865998 ZSACTRDMXUCMMG-UHFFFAOYSA-N 429.878 2.631 0 40 IFAB CCCc1ccc(OCCNC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 223878629 CMDODWSAECWUIM-UHFFFAOYSA-N 432.542 2.803 0 40 IFAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224237895 CLDRSSZCEODYOW-OAQYLSRUSA-N 445.585 2.705 0 40 IFAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCN(C)c3ccccc3)s2)cc1 225880065 WDKBRHZXJIMFTG-UHFFFAOYSA-N 431.543 2.514 0 40 IFAB CN(C)c1cccc(C(=O)N[C@H]2CCOC[C@@]23CC(C(=O)Nc2cccc(F)c2)=NO3)c1 306143701 YJSWRPZTZCILHW-REWPJTCUSA-N 440.475 2.564 0 40 IFAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 579192099 LUPWDVCFAXTNEX-IBGZPJMESA-N 440.431 2.868 0 40 IFAB CC(C)CC(=O)NC[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccc(F)c1)CC3 585110201 WJVHIZRDPCGXAL-SFHVURJKSA-N 440.519 2.621 0 40 IFAB COCCC(=O)N1CCC2(CCCCOCCN(C)C(=O)c3ccccc3OC2)CC1 643580325 UYKXHCRJPWOZDX-UHFFFAOYSA-N 432.561 2.983 0 40 IFAB COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H]3Cc4c(C)cccc4N3C(=O)OC(C)(C)C)C2)C1 1635976067 HNRDCQGNFQBIPA-MBSDFSHPSA-N 443.500 2.582 0 40 IFAB O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)N1CCOCC1 3288072 OEHKUXBSSKPMSR-UHFFFAOYSA-N 425.304 2.722 0 40 IFAB Cc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1F 3317800 UOUYOKBEPWEXEC-UHFFFAOYSA-N 440.518 2.778 0 40 IFAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 3343782 AKJONRJLKDNEGU-UHFFFAOYSA-N 449.510 2.517 0 40 IFAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1)c1ccncc1 4236180 UQJMDYKQMPWVMF-PKOBYXMFSA-N 444.491 2.520 0 40 IFAB biogenic,in-vitro O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 8936949 BFLQCBGLACWIQK-KRWDZBQOSA-N 432.498 2.558 0 40 IFAB COc1cc(NC(=O)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(OC)c1 9120446 WORJEXNHORWHSM-UHFFFAOYSA-N 433.530 2.929 0 40 IFAB CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)cc1OC 9262275 JAKQDUVMHAJTGF-OALUTQOASA-N 425.441 2.783 0 40 IFAB COC(=O)c1c(NC(=O)COC(=O)C[C@H](NC(C)=O)c2ccccc2)sc(C)c1C 9384342 FNGKDCMSQPLRKE-INIZCTEOSA-N 432.498 2.901 0 40 IFAB O=C(C1CCN(c2nc(Cl)nc3[nH]cnc23)CC1)N1CCN(c2ccc(F)cc2)CC1 9421158 DOKKVXSYVVHXFS-UHFFFAOYSA-N 443.914 2.711 0 40 IFAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1C 9462520 YSBQUSHBAVZNMV-HOTGVXAUSA-N 426.469 2.894 0 40 IFAB COc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCCC1 9463703 RRJAWDPNEJCRDW-UHFFFAOYSA-N 443.525 2.624 0 40 IFAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 9634898 GSBKBZJQKHRXDS-ZDUSSCGKSA-N 439.921 2.865 0 40 IFAB COc1ccc(Cn2c(C)cn3c4c(=O)n(Cc5ccc(C)cc5)c(=O)n(C)c4nc23)cc1 9712998 OZYPKBFJEPNTAO-UHFFFAOYSA-N 443.507 2.871 0 40 IFAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 9828569 HZBCCKHZTODHON-UHFFFAOYSA-N 445.522 2.840 0 40 IFAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc(C(=O)OC)ccc2Cl)Oc2ccccc21 10009223 ZAGQBBBIXIAKIO-QGZVFWFLSA-N 438.889 2.682 0 40 IFAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N[C@@H](Cc1ccc(O)cc1)C(=O)O 11866828 IQARDSQCGXRESH-FQEVSTJZSA-N 437.448 2.568 0 40 IFAB O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071608 XTXPWWTZMLLPHL-UHFFFAOYSA-N 439.878 2.793 0 40 IFAB Nc1nc(SCC(=O)NCc2ccccc2Cl)[nH]c(=O)c1NC(=O)c1ccccc1 12140417 FYPZBEGKASMRSH-UHFFFAOYSA-N 443.916 2.666 0 40 IFAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1Cl 12323521 FQKWCIIQHRWCFZ-UHFFFAOYSA-N 431.326 2.706 0 40 IFAB CC(C)[C@H](Sc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1Cc1ccco1)C(=O)NC(N)=O 12772550 JJYZZVBOMDNFOP-LZWOXQAQSA-N 434.566 2.713 0 40 IFAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)c1ccccc1 13003843 IXXXLNWRQUODES-UHFFFAOYSA-N 435.933 2.835 0 40 IFAB O=C1C[C@@H](c2ccccc2)N2NC(NC(=O)COc3ccc(Cl)cc3Cl)=NC2=N1 13127377 GYBKTQANUDFVHD-AWEZNQCLSA-N 432.267 2.692 0 40 IFAB CS(=O)(=O)N1CCCc2cc(C(=O)Cn3nnc(-c4cccc(Cl)c4)n3)ccc21 14180445 MPRNBJWKGOWATK-UHFFFAOYSA-N 431.905 2.589 0 40 IFAB CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 16179593 GGIPWVCSAGNPDE-UHFFFAOYSA-N 440.569 2.777 0 40 IFAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NCCNc1ncc(C(F)(F)F)cc1Cl 18215901 LLRKVCSMACZIJA-STQMWFEESA-N 444.841 2.623 0 40 IFAB O=S1(=O)N=C([C@@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)Nc2ccccc21 19375676 GEFAJHAIYFBMCF-MRXNPFEDSA-N 426.546 2.502 0 40 IFAB Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)ncc1C(=O)NCc1ccc(F)cc1 19751951 QERWILWNZWNLNK-LJQANCHMSA-N 439.535 2.656 0 40 IFAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862888 ORNXPHKLGSQVLQ-MRXNPFEDSA-N 434.489 2.777 0 40 IFAB CCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20358320 KODUUCAYHRECBZ-UHFFFAOYSA-N 443.573 2.746 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1 20730581 HDASUEWRVILDOV-UHFFFAOYSA-N 449.576 2.714 0 40 IFAB CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1C 21713768 GABRIVPNMQTZRS-UHFFFAOYSA-N 431.496 2.683 0 40 IFAB CCn1c(CCC(=O)N2CCc3ccccc3C2)nc2cc(S(=O)(=O)N(C)C)ccc21 21897684 QGVPJCOJPARCRI-UHFFFAOYSA-N 440.569 2.824 0 40 IFAB NS(=O)(=O)c1ccc(CCNC(=O)Cc2cc(-c3cc4ccccc4o3)on2)cc1 23127307 XHPCYSRRJNNRGY-UHFFFAOYSA-N 425.466 2.637 0 40 IFAB CN(C)[C@H](CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccsc1 23133142 KSLLVJCLALXDNC-GOSISDBHSA-N 448.614 2.766 0 40 IFAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(F)cc2F)ccc1C 23323111 XIWDDKADVXKXCS-UHFFFAOYSA-N 439.484 2.672 0 40 IFAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 24085741 KSRFRZRDADKCRH-UUOWRZLLSA-N 440.496 2.672 0 40 IFAB O=C(Cn1cnc2ccccc2c1=O)OCc1cc2c(cc1Br)OCCO2 24465734 WIBCAXPGRLWPMZ-UHFFFAOYSA-N 431.242 2.674 0 40 IFAB O=C(NCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 24927507 VXROJBYMBVXGLK-UHFFFAOYSA-N 441.484 2.786 0 40 IFAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccnn1Cc1ccc(Br)cc1 26789890 VZFPLWKQYVFYNR-HOTGVXAUSA-N 445.317 2.808 0 40 IFAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1C 28210218 KBYGPJACZJMLHZ-XLIONFOSSA-N 444.553 2.821 0 40 IFAB CCOC(=O)C1=C(COC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)NC(=O)N[C@@H]1c1ccco1 32776519 INWAIPXFPOTPSH-FUHWJXTLSA-N 446.843 2.651 0 40 IFAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCN(CC(=O)N2CCCC2)CC1 32820627 LUQHPKPIHODDKP-UHFFFAOYSA-N 432.977 2.773 0 40 IFAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 35999871 SIHQZCAQIUZGNY-UHFFFAOYSA-N 444.875 2.597 0 40 IFAB COc1cc(OC)cc(-c2noc(Cn3c(=O)n(CC(C)C)c(=O)c4ccccc43)n2)c1 38486500 SLHVONRKOXHDOO-UHFFFAOYSA-N 436.468 2.935 0 40 IFAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 48260567 RNDQIIQOXZOIBO-UHFFFAOYSA-N 441.509 2.968 0 40 IFAB CCN(CC)Cc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)CC)c1 58183230 PPMVFEMMWLYHKG-QHCPKHFHSA-N 443.613 2.921 0 40 IFAB CCOc1ccccc1O[C@@H]1CCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1cccs1 78877637 XHVXGKLHCVISMG-JKSUJKDBSA-N 438.571 2.884 0 40 IFAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCN([C@@H]4CCOC4=O)CC3)c12 89567453 JEGQEVBQRYPTPV-LJQANCHMSA-N 438.459 2.847 0 40 IFAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)cc4cccnc34)CC2)cc1 95453234 WIPRJNNRNIVLNN-UHFFFAOYSA-N 429.473 2.529 0 40 IFAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 100563793 AXBPVHAAXATKIW-FUHWJXTLSA-N 427.844 2.646 0 40 IFAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2cccs2)CC1 219257580 SCNKNMVWTJOJHH-UHFFFAOYSA-N 432.527 2.515 0 40 IFAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220221745 AFMSWYQCEVZBHR-HUUCEWRRSA-N 436.530 2.744 0 40 IFAB COc1ccc(C(=O)NCc2c(OC)cccc2OC)cc1S(=O)(=O)N1CCCCC1 222915290 GKVGNMWVMGSGCU-UHFFFAOYSA-N 448.541 2.817 0 40 IFAB COC(=O)c1c(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)sc2c1CCCC2 223090653 MKJJWAGWYVUELA-QGZVFWFLSA-N 436.555 2.985 0 40 IFAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)Cc1ccccc1 224538026 JKMYUVZPTYCVDM-UHFFFAOYSA-N 429.586 2.751 0 40 IFAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NC[C@H]1CCCO1 225837813 TXXFLHIOPTZIRW-CYBMUJFWSA-N 427.242 2.569 0 40 IFAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)C[C@H]2CCS(=O)(=O)C2)C3)cc1 248178891 BZNSTISJBPZJRT-ATZDWAIDSA-N 444.557 2.604 0 40 IFAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)C4CCCC4)C3)nc2n(Cc2ccccc2)c1=O 257334049 YEIGRTAFWXNCMG-IBGZPJMESA-N 432.524 2.650 0 40 IFAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260838480 SCUGCWXQDOMBME-OLZOCXBDSA-N 440.468 2.768 0 40 IFAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 260888540 BFFMOJWNCYTCAV-RBUKOAKNSA-N 432.542 2.804 0 40 IFAB O=C([C@@H]1CN(c2ncc(C(F)(F)F)cc2Br)CCO1)N1CCSCC1 1888866242 HFFIWBPQGAYYOV-LBPRGKRZSA-N 440.285 2.644 0 40 IFAB O=S(=O)(c1ccccc1Cl)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888928818 IVOIHBICJICFAA-ZDUSSCGKSA-N 433.921 2.745 0 40 IFAB CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc2c1CC[C@@H](C)C2 3326993 WXJYUCQYMSFPIO-GFCCVEGCSA-N 433.530 2.853 0 40 IFAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 9254205 RAJDBHAJUPISRG-MQNRADLISA-N 446.507 2.706 0 40 IFAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NC3CCCC3)C2=O)cc1 9387882 UNWCJKOLTKYSDA-UHFFFAOYSA-N 437.496 2.558 0 40 IFAB COc1ccc(CCNC(=O)c2nnn(-c3cccc(Br)c3)c2N)cc1OC 9476596 JOMJCEKEDVQDNE-UHFFFAOYSA-N 446.305 2.602 0 40 IFAB O=C(c1ccccc1F)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849641 LTNHULKOUGWZQQ-UHFFFAOYSA-N 437.866 2.965 0 40 IFAB Cc1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(C(N)=O)c1C 10187248 ZMRDEOOCVQUHET-JTQLQIEISA-N 447.991 2.971 0 40 IFAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCN3CCCC3)c2)CC1 10450193 POPPAWFZOAKEKA-UHFFFAOYSA-N 427.998 2.976 0 40 IFAB Cc1ccc(NC(=O)CN(Cc2ccccc2)C(C)C)cc1S(=O)(=O)N1CCOCC1 10928545 NPKUZDMQPYXPGS-UHFFFAOYSA-N 445.585 2.865 0 40 IFAB Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1F 11163864 QJLICCUPCVEMMJ-UHFFFAOYSA-N 431.533 2.568 0 40 IFAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 12220967 GIAOJOVFEGZBOU-VQIMIIECSA-N 425.577 2.998 0 40 IFAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1 12347977 QKQVQUBHDQDXJB-UHFFFAOYSA-N 445.932 2.726 0 40 IFAB COc1ccccc1N1CCN(CC[C@H]2CN(C(=O)NC(C)C)CC[C@H]2CC(=O)O)CC1 12481541 USSRMIKINLEDKW-PMACEKPBSA-N 446.592 2.738 0 40 IFAB biogenic,in-vitro CCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(C)c1 12770391 JXHSHRDMOZUURF-KRWDZBQOSA-N 436.603 2.791 0 40 IFAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc2c(c1)OCO2 13706062 WGYMUPVVSHRCTN-UHFFFAOYSA-N 436.403 2.860 0 40 IFAB CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1 14162050 SXEOVLNXWCYPKW-FQEVSTJZSA-N 449.294 2.759 0 40 IFAB COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14244296 QTXQWRNWSODHMR-BBWFWOEESA-N 432.542 2.984 0 40 IFAB COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCC(C)CC1 14397718 LZRQCVXNJAAGTO-UHFFFAOYSA-N 443.525 2.715 0 40 IFAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cs1 16312608 FFYLAFDDXJGFHP-UHFFFAOYSA-N 428.539 2.767 0 40 IFAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2 16850466 QBCGKHMKWVNPQU-UHFFFAOYSA-N 443.931 2.594 0 40 IFAB O=C([C@@H]1CN(C(=O)c2ccccc2Br)c2ccccc2O1)N1CCOCC1 16964211 FPWBDLWIALDGDY-SFHVURJKSA-N 431.286 2.716 0 40 IFAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 17357713 GZYXVZCPDZNLQU-JOCHJYFZSA-N 441.597 2.648 0 40 IFAB Cc1nn(CCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c(C)c1C 19557056 GBRGJGZEDRBHTI-UHFFFAOYSA-N 426.546 2.811 0 40 IFAB COc1cccc([C@]2(O)CCC[C@@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@@H]32)c1 19577908 VTFDMEDNNCDSHC-CFLQYTFWSA-N 439.965 2.699 0 40 IFAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2Cn2nc(-c3ccc4c(c3)OCO4)ccc2=O)C1 19592633 JOBZURFOQVPGOJ-GBESFXJTSA-N 439.512 2.835 0 40 IFAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 19694013 GRTCVSLZJKAGKY-GOSISDBHSA-N 443.979 2.901 0 40 IFAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CCN1CCC(C)CC1)CC2 19710856 WRZXUXUEGFCNLX-NRFANRHFSA-N 442.608 2.599 0 40 IFAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2CC1CCCCC1 19740428 UKCHYGRJLZGCAL-GOSISDBHSA-N 435.594 2.588 0 40 IFAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(c2ccccc2F)CC1 20744901 PMODSPIRQXHUDQ-UHFFFAOYSA-N 435.503 2.724 0 40 IFAB COc1cc(CN(C)C(=O)CSCC(=O)Nc2cc(C)on2)ccc1OC(F)F 23984194 ZRQYVBUXHQYDNH-UHFFFAOYSA-N 429.445 2.923 0 40 IFAB CCN(c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O 26111483 JMIYUVRFRQQZFH-JXMROGBWSA-N 427.570 2.944 0 40 IFAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 32819434 JDGXZKLSGHMTSY-RTBURBONSA-N 430.595 2.970 0 40 IFAB CCCNC(=O)c1nc(-c2ccc(OC)cc2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 35682977 XQDCSZLVAFVZPB-MRXNPFEDSA-N 442.541 2.915 0 40 IFAB CC(=O)N1CCN([C@H](C(=O)O)c2c(C(=O)O)n(Cc3ccccc3)c3ccccc23)CC1 36358788 QFPBDRXGTZBFNT-NRFANRHFSA-N 435.480 2.678 0 40 IFAB O=C(C1CC1)N1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 36393445 PLKRAQUXBPPHEY-UHFFFAOYSA-N 438.977 2.944 0 40 IFAB COc1cccc(CNC(=O)CC[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)c1 36596944 JDNMPDGJGMTDKK-OAQYLSRUSA-N 434.496 2.940 0 40 IFAB biogenic O=C(CN1CCN(c2ccccc2Cl)CC1)N1CCN(C(=O)c2cccs2)CC1 57364806 DILLIWWQQZAGIF-UHFFFAOYSA-N 432.977 2.508 0 40 IFAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)c1 57428040 WOGXERKEUHSHLP-UHFFFAOYSA-N 427.526 2.731 0 40 IFAB COCCN1CCN(c2c(C)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn23)CC1 57710143 AUPXNUYDAOAJNK-UHFFFAOYSA-N 425.533 2.799 0 40 IFAB Cc1oc(C2CCN([C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 72304919 BJHWLLRTXKBNFS-OXQOHEQNSA-N 445.585 2.863 0 40 IFAB CCN(CC)C1CCN(C(=O)Cn2cc(C(=O)Nc3nc(C)c(C)s3)ccc2=O)CC1 72344605 GDHRSWYWGVQKGE-UHFFFAOYSA-N 445.589 2.507 0 40 IFAB Cc1c(Cl)cc(S(=O)(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1Cl 97143800 BCMMWPGFNNFHGN-KRWDZBQOSA-N 428.297 2.962 0 40 IFAB CSCC[C@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 101220873 FDELBLHJGMYLED-VEURHVGXSA-N 445.562 2.649 0 40 IFAB CCOC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1 215686728 MEGUYTZYQCPVGH-IOASZLSFSA-N 436.555 2.623 0 40 IFAB COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 218186132 MXNGOLUEEXBSTG-JENIJYKNSA-N 439.942 2.927 0 40 IFAB CN(Cc1ncc(C(=O)NCc2ccccc2)cn1)S(=O)(=O)c1ccc(Cl)cc1 223390517 HLBQEFPYXFBYGL-UHFFFAOYSA-N 430.917 2.881 0 40 IFAB COc1ccc(CNC(=O)CCCN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1OC 224851106 QBSZVUFIDMVQAG-UHFFFAOYSA-N 448.541 2.769 0 40 IFAB CC(C)CNC(=S)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1 225891633 QTVVBSSWFXSCLT-UHFFFAOYSA-N 426.590 2.818 0 40 IFAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 408598372 ZMRGDMMPIMEVGQ-UHFFFAOYSA-N 432.542 2.675 0 40 IFAB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1nccnc1Sc1ccccc1 543282541 KOLGKKMDOJWTSR-UHFFFAOYSA-N 447.564 2.702 0 40 IFAB O=C(CN1CCCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 585262298 KAKOKVMOYWJVBV-KAHCWPQKSA-N 449.595 2.596 0 40 IFAB O=C(NCCCN1CCCC1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643585027 YGLBFMUZFYMFEV-UHFFFAOYSA-N 437.584 2.992 0 40 IFAB O=C(N[C@H](C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21)c1ccccc1)c1ccccc1 1153785381 GCNHIAANZPGNNP-SQJMNOBHSA-N 429.476 2.504 0 40 IFAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1 1888866743 CPURDQYUQSQSDT-HZPDHXFCSA-N 443.573 2.604 0 40 IFAB Cc1cc(CNC(=O)COC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc(C)c1O 3401280 HVSZNNXWBOQIKI-UHFFFAOYSA-N 438.402 2.617 0 40 IFAB CCc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccccc2)n1 8639047 CCKOCCLRJWLXTA-UHFFFAOYSA-N 441.513 2.667 0 40 IFAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8825560 ITBUGXRUMRIHCQ-SFHVURJKSA-N 431.539 2.913 0 40 IFAB COc1cccc(NC(=O)CN(C)CCS(=O)(=O)c2ccc(Br)cc2)c1 8848822 CBUUNBWLSNHNGI-UHFFFAOYSA-N 441.347 2.802 0 40 IFAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 9001244 XSJUWSYWUKVXKJ-UHFFFAOYSA-N 435.871 2.602 0 40 IFAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1ccc2c(c1)OCCCO2 9467838 IWRGCRFCFUEDGX-UHFFFAOYSA-N 433.482 2.613 0 40 IFAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 9592120 PULIEENRCIXUMW-UHFFFAOYSA-N 440.529 2.868 0 40 IFAB CN(Cc1ccsc1)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 9950183 NWRACRYGCWPNHG-UHFFFAOYSA-N 443.598 2.975 0 40 IFAB NC(=O)c1oc2ccccc2c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337439 MBCIIPIDNFVSMF-UHFFFAOYSA-N 445.472 2.710 0 40 IFAB COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2F)sc2c1CCC2 12293291 LNWVPBBJQCTBEM-UHFFFAOYSA-N 433.490 2.869 0 40 IFAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 12445058 ALARGFLWHPCMEF-UHFFFAOYSA-N 445.629 2.779 0 40 IFAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 12766844 HRARDRBOELHNQC-UHFFFAOYSA-N 429.420 2.930 0 40 IFAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12821529 BCSGSGFHUYTDFL-NRFANRHFSA-N 437.496 2.549 0 40 IFAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1 13068693 DJXLZGCZQZYGHL-PEBXRYMYSA-N 441.509 2.869 0 40 IFAB C[C@H]1CCC[C@@H](C)N1C(=O)CSCc1cccc(S(=O)(=O)N2CCOCC2)c1 13097850 RYMYTVITZIESEU-CALCHBBNSA-N 426.604 2.730 0 40 IFAB O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1)NCc1ccco1 13501988 PHJSNVOOTWJEJT-UHFFFAOYSA-N 444.488 2.939 0 40 IFAB Cc1c(CC(=O)NC(C)(CO)CO)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 13628631 IWCOPLCZHJWPOD-UHFFFAOYSA-N 429.513 2.531 0 40 IFAB CCCCn1nc(C)c2c(C(=O)N3CCN(S(=O)(=O)CC)CC3)cc(C3CC3)nc21 13961323 JZJQDBWQVIUTJQ-UHFFFAOYSA-N 433.578 2.525 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(-c2nnn[nH]2)cc1 14168374 ODIZHOLBQNGAAU-UHFFFAOYSA-N 426.502 2.684 0 40 IFAB COC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 14187403 AITNBWFAPUWPOE-UHFFFAOYSA-N 441.141 2.785 0 40 IFAB Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)C(C)(C)CS4(=O)=O)c3)CC2)c1 15858614 CKVGIHIRDDUXPJ-UHFFFAOYSA-N 441.553 2.660 0 40 IFAB Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)c5ccco5)C4)nc32)c1 15907299 VVIUTJBSGQZZCZ-INIZCTEOSA-N 432.484 2.793 0 40 IFAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 16006752 RVSWULHQRRABIR-LAUBAEHRSA-N 440.993 2.894 0 40 IFAB CN(C)c1cc(CCNC(=O)c2cccc(N3CCCC3=O)c2)nc(-c2ccccn2)n1 19584299 AFQBGWCVQHTRLW-UHFFFAOYSA-N 430.512 2.704 0 40 IFAB CC1CCN(CCC(=O)N2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)CC1 19692450 SOJMHDNPTBFGSF-QHCPKHFHSA-N 436.556 2.869 0 40 IFAB Cc1nc(CN(C)C(=O)c2ccnc(N3CCCC3)c2)nc2c1CCC(=O)N2CC1CC1 19698084 DTIRZBRWWCGTOQ-UHFFFAOYSA-N 434.544 2.742 0 40 IFAB Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)n1 19705559 DVIHYURKWSULKY-SFHVURJKSA-N 449.486 2.744 0 40 IFAB C[C@@H](NC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1 19749305 BOBOCJBTJVWNCV-OAHLLOKOSA-N 447.470 2.671 0 40 IFAB C[C@@H](NC(=O)Cn1cccc(C(=O)NCc2ccc(F)cc2)c1=O)c1nc2ccccc2[nH]1 19750607 KGTZYWWLAVVQTO-OAHLLOKOSA-N 447.470 2.671 0 40 IFAB O=S(=O)(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 22227762 XHGSWEZUODEPHJ-UHFFFAOYSA-N 426.535 2.521 0 40 IFAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(CCOc2ccccc2)CC1 22919930 JQBGZHXHXXLVKY-OAQYLSRUSA-N 438.572 2.547 0 40 IFAB Cc1nn(Cn2ccc(C(=O)NCc3ccc(C(=O)O)cc3)n2)c(C)c1Br 27973695 SLKUNGLPNUICHD-UHFFFAOYSA-N 432.278 2.593 0 40 IFAB C[C@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)c1nc(N)nc(N(C)C)n1 31804989 GIUUPJMFIKHCKX-VIFPVBQESA-N 443.924 2.861 0 40 IFAB O=C(CCCn1nnc2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 32072806 DCJSHCUPHBHLNH-UHFFFAOYSA-N 426.904 2.735 0 40 IFAB C[C@H](CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccccc1 32825654 AZOQMHDEVUCQQJ-LLVKDONJSA-N 425.304 2.862 0 40 IFAB Cc1oc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)N1CCCC1 40131262 HKXXULBLMVRKGK-OAHLLOKOSA-N 443.529 2.786 0 40 IFAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 57281384 ADMMDJOHUAGCIV-UHFFFAOYSA-N 434.540 2.772 0 40 IFAB CN(C)CCn1cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cn1 58163062 HPLPULQJMABAOA-UHFFFAOYSA-N 428.543 2.583 0 40 IFAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c2)C[C@@H](C)O1 64458985 MQTRKODKGKIYAR-FUHIMQAGSA-N 448.589 2.526 0 40 IFAB O=C(NCc1ccccc1OC(F)(F)F)C1CN(C(=O)COc2ccccc2F)C1 70637479 DGJPDYSQMJNOAS-UHFFFAOYSA-N 426.366 2.878 0 40 IFAB O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 70641491 CVYBPCFNRMOUOE-HXUWFJFHSA-N 447.457 2.782 0 40 IFAB CN(C)S(=O)(=O)c1ccc(CN2CCC3(CC2)C[C@H]3c2nnc3n2CCCCC3)o1 71890619 CRTZRUNRXMABBK-KRWDZBQOSA-N 433.578 2.618 0 40 IFAB Cc1ncsc1C(=O)N1CCC(c2nc(-c3ccncc3)ncc2S(C)(=O)=O)CC1 72335847 LMLHOVOETIOUKU-UHFFFAOYSA-N 443.554 2.727 0 40 IFAB COc1ccc(-n2ncc3c2N(CC(=O)N(C)C2CCCCC2)C(=O)N2CCN=C32)cc1 72347793 JXJKHLBMQAFZDB-UHFFFAOYSA-N 436.516 2.674 0 40 IFAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(N2CCOCC2)cc1 84405656 ADOFXAMTLCRALK-UHFFFAOYSA-N 434.993 2.994 0 40 IFAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c(C)c1 90616702 WNIXSHBPDFKRDB-UHFFFAOYSA-N 433.530 2.767 0 40 IFAB CCCN1C(=O)C2(c3cc(Br)ccc31)N1CC3(C)CN2CC(CC)(C1)C3=O 96551157 ZIWMYKABTRVQMT-UHFFFAOYSA-N 432.362 2.975 0 40 IFAB biogenic Cc1cc(OC2CN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)n1C 217758523 WRNCVRXOUYMKNM-UHFFFAOYSA-N 436.839 2.818 0 40 IFAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1C 220092929 PRZPALZYQHNXHG-UHFFFAOYSA-N 426.441 2.855 0 40 IFAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220197138 WSOUDZMLQPFWRC-GFCCVEGCSA-N 444.431 2.905 0 40 IFAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222388599 YUPIRBBIFSWKRP-IBGZPJMESA-N 445.585 2.705 0 40 IFAB C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222740372 PTGLPVYGJLXJHH-CQSZACIVSA-N 438.933 2.750 0 40 IFAB COc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c(OC)c1 222838766 COTWBUHIAZFWND-UHFFFAOYSA-N 428.510 2.939 0 40 IFAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(F)cc1)c1cccc(Br)c1 223641382 DMGJGDADJOBEDF-UHFFFAOYSA-N 445.310 2.549 0 40 IFAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 224420065 VDYUUTRDKDVZHF-SFHVURJKSA-N 428.554 2.866 0 40 IFAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225123717 WCCFVURVFWPSOA-UHFFFAOYSA-N 434.905 2.635 0 40 IFAB CC(=O)N[C@H]1CC[C@](CNC(=O)Cn2nc(C)cc2C(F)F)(c2ccccc2)CC[C@@H]1O 257281185 OOANQXZBBOCLJF-LEDOBFOHSA-N 448.514 2.623 0 40 IFAB O=C(c1ccoc1)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306144329 ZCKJWZUJHMOBFJ-QFIPXVFZSA-N 439.493 2.543 0 40 IFAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 408560428 OYHKVQHABRUTPO-UHFFFAOYSA-N 432.970 2.682 0 40 IFAB CCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 408595820 UZTSXZMVOXIEFO-UHFFFAOYSA-N 426.922 2.997 0 40 IFAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2cccc(C)c2)cc1 408617635 CBFIJPCYWURAMU-UHFFFAOYSA-N 440.569 2.897 0 40 IFAB O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 514290326 XKBSDZZMVRBENA-NHCUHLMSSA-N 432.490 2.606 0 40 IFAB biogenic,in-vitro O=C1CN(C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)C(=O)N1CC(F)(F)F 585148530 UWLAHPTUMDLXHK-UHFFFAOYSA-N 427.398 2.675 0 40 IFAB Cn1c(=O)sc2cc(S(=O)(=O)NC(=O)CCOc3ccc(Cl)cc3)ccc21 585274078 VQWAFGOJMZKKHT-UHFFFAOYSA-N 426.903 2.527 0 40 IFAB COc1ccc2c(=O)n(CC3CCN(C(=O)c4cn(C)nc4C(F)F)CC3)cnc2c1 1848588238 NTNNBJQJTVGBJM-UHFFFAOYSA-N 431.443 2.629 0 40 IFAB O=C(c1cnn(-c2ccccc2)n1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888909698 LFRCMGFPMJINTI-GASCZTMLSA-N 428.418 2.890 0 40 IFAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1 633767 DLZAUXADFWDGRL-YOEHRIQHSA-N 431.562 2.541 0 40 IFAB COC(=O)[C@@H]1C(=O)Oc2c(Br)cc(Br)cc2[C@H]1[C@H]1CCOC1=O 1438460 XOPIUKPSKNRAHB-AVPPRXQKSA-N 448.063 2.567 0 40 IFAB Cn1c(=O)c2c(ncn2CCCOC2c3ccccc3CCc3ccccc32)n(C)c1=O 8442127 IXHHDHKZLRGIGR-UHFFFAOYSA-N 430.508 2.729 0 40 IFAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 8917059 WXKXXMIFOMGKMB-IFXJQAMLSA-N 425.462 2.534 0 40 IFAB CCn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccccc3OC)nnc12 9431378 GLOUEOPXMDMRTO-UHFFFAOYSA-N 425.514 2.773 0 40 IFAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 9630993 SPEQARQUVCIYTA-UHFFFAOYSA-N 445.522 2.933 0 40 IFAB CSCC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)c2ccccc2C1=O 9632571 HHCHDBBFSHOCPU-CQSZACIVSA-N 443.550 2.692 0 40 IFAB COc1cccc(CNC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c1 9659338 BHUXGVUVAKNBIZ-UHFFFAOYSA-N 425.466 2.992 0 40 IFAB CCOc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)N1CCCC1 9730196 OORAALSXFVFMHJ-UHFFFAOYSA-N 441.513 2.703 0 40 IFAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N1CCS[C@@H]1c1ccccc1F 9744562 KIPXKYXGPVTHDG-DENIHFKCSA-N 425.485 2.793 0 40 IFAB CNC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c2ccccc2O1 9869942 FYBKFWOJTSLKMF-HTAPYJJXSA-N 429.476 2.733 0 40 IFAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)c2ccccc2F)CC1 12133164 YBVIDFYJFMOLAE-UHFFFAOYSA-N 432.521 2.639 0 40 IFAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(N3CCCCS3(=O)=O)c1)CC2 12194471 KDKFAWGCBZKYOJ-UHFFFAOYSA-N 430.526 2.832 0 40 IFAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCc2c[nH]c3ccccc23)c1 12552631 IBNJTANGUHKMQG-UHFFFAOYSA-N 440.569 2.991 0 40 IFAB CN(C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2)c1nc2ccccc2s1 12750035 IADRVXYUABOGKT-UHFFFAOYSA-N 447.538 2.741 0 40 IFAB Cc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)cc1 13036868 WRBARSYNMOVTBH-UHFFFAOYSA-N 443.511 2.555 0 40 IFAB CCOc1ccc2nc(SCC(=O)Nc3nnc(SCC(N)=O)s3)sc2c1 13495542 UZUFULQGAHECDK-UHFFFAOYSA-N 441.585 2.855 0 40 IFAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccnc3)cc2)cc1OC 14154786 RRZWOFSMDYYQOO-UHFFFAOYSA-N 441.509 2.854 0 40 IFAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCCC1 15271803 GHSDWEJYTSAJDG-UHFFFAOYSA-N 446.525 2.919 0 40 IFAB COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O 15894287 IKGLSQKPYQOTPN-QTZVNIFKSA-N 443.503 2.822 0 40 IFAB biogenic CNS(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 16046378 HCKQXQUFDXMVRG-UHFFFAOYSA-N 434.477 2.546 0 40 IFAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C(=O)C2 16739998 BYVPYJYHCMIHMK-AUUYWEPGSA-N 445.507 2.948 0 40 IFAB O=C(CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21)NCc1cccc(F)c1 19374482 CVURIIIWKJLSMZ-UHFFFAOYSA-N 432.459 2.720 0 40 IFAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2ccncc2)CCO1 19529310 DABZMPPOZXASRC-RUZDIDTESA-N 430.508 2.734 0 40 IFAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)o1 19693979 XNTRYQODZILAMY-GOSISDBHSA-N 448.527 2.933 0 40 IFAB COc1ccccc1[C@@H]1c2c(oc3ccc(C)cc3c2=O)C(=O)N1CCN1CCOCC1 20308175 CXJGTGXRIKEMPK-JOCHJYFZSA-N 434.492 2.987 0 40 IFAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(Cc2ccccc2F)CC1 23259594 JRONVDXOBIOCOT-UHFFFAOYSA-N 432.927 2.694 0 40 IFAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCc1ccc(N2CCCC2=O)cc1 24776910 KUYMIRYSSIMKAR-UHFFFAOYSA-N 447.582 2.518 0 40 IFAB COc1ccc([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 25456588 MOQQUOLWRHYHQC-AUSIDOKSSA-N 425.460 2.965 0 40 IFAB O=C(c1ccc(F)cc1)N1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 29660654 PMWHALREHYCKCG-GOSISDBHSA-N 437.309 2.786 0 40 IFAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C)n1C(C)C 32865206 PGTSKFQAUYQNSB-UHFFFAOYSA-N 425.576 2.698 0 40 IFAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(CN3CCCCC3)c2)Oc2ccccc21 38831820 LRSVQSLMNFIUCG-QFIPXVFZSA-N 443.569 2.516 0 40 IFAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 40161253 FHJMPBOOGWTJPU-OALUTQOASA-N 447.576 2.658 0 40 IFAB COCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(OC)c(OC)c1 40372692 LYEPZIGELIMQBB-UHFFFAOYSA-N 425.489 2.889 0 40 IFAB Cc1ccc(C)c(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c1 44857286 QKKRPZBNLYQXBU-UHFFFAOYSA-N 429.586 2.982 0 40 IFAB CN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)NC(=O)CCS4)cn2)CC1 58441634 DMQPZBLBVXRCTR-UHFFFAOYSA-N 425.558 2.588 0 40 IFAB C[C@H](NC(=O)CN(c1ccccc1Br)S(=O)(=O)N(C)C)c1ccccc1 79016360 WMTVYCXBNXHBCP-AWEZNQCLSA-N 440.363 2.939 0 40 IFAB COCc1nc(N2CCN(CCS(C)(=O)=O)CC2)c2c(-c3ccccc3)csc2n1 89420397 FNBQXLCBEBRYLS-UHFFFAOYSA-N 446.598 2.671 0 40 IFAB CCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 95117090 UPRORHCTHALSGP-KRWDZBQOSA-N 426.922 2.749 0 40 IFAB COc1ccc(CCc2nc(NC(=O)c3cc(=O)n(C)c4ccccc34)n[nH]2)cc1OC 95479492 JKDUZFCKPGKUAP-UHFFFAOYSA-N 433.468 2.711 0 40 IFAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(Br)cc2)cc1 100816679 OCXOEGZKKXKHMB-FHWLQOOXSA-N 442.313 2.993 0 40 IFAB COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](Oc4cc(C)oc(=O)c4)C3)n(C)n2)c1 206964415 ZGKAEIIDDWSZHS-MRXNPFEDSA-N 439.468 2.659 0 40 IFAB CSc1cccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 220076349 MYINSNPFRLRQFL-UHFFFAOYSA-N 438.556 2.602 0 40 IFAB CSc1cccc(N(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220076446 HMBONDXYAIKTRO-UHFFFAOYSA-N 446.554 2.883 0 40 IFAB CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220751088 ZFCSCSOLUJGTSX-INIZCTEOSA-N 439.921 2.631 0 40 IFAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCOc2ccccc21 222652690 NHTJWEVJDIMMOG-UHFFFAOYSA-N 438.505 2.970 0 40 IFAB Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)ccc1OCC(=O)N(C)C 223249888 YYFRKHJYGXFNOC-UHFFFAOYSA-N 428.514 2.961 0 40 IFAB COc1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 224056672 WNZYSJWLZWHHGB-UHFFFAOYSA-N 434.558 2.954 0 40 IFAB CC(=O)c1cccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)c1 224851539 ONVIRARZLFRGTQ-UHFFFAOYSA-N 436.505 2.770 0 40 IFAB CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 225619997 ZPWRWYCSBMLQKH-UHFFFAOYSA-N 442.459 2.882 0 40 IFAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 257340600 ZGVYYJIHQAGWEO-ZEQRLZLVSA-N 435.568 2.726 0 40 IFAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4cc(C)cc(C)c4)C2)C3)cc1 306134371 NLEALKNZVSVUSB-AREMUKBSSA-N 446.551 2.527 0 40 IFAB O=C(NC[C@H]1CC[C@]2(COCCN(Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 306138343 RVFKEFGKCGWNJA-YKSBVNFPSA-N 438.503 2.882 0 40 IFAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c1 408706262 YWCLUSNMVDNYMT-UHFFFAOYSA-N 440.905 2.536 0 40 IFAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@@H]2c2ccccc2)cc1 409058703 KKYJVAULILEZAY-WFZBXURCSA-O 430.484 2.720 0 40 IFAB COC(=O)c1cc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)cc(C(=O)OC)c1 3316486 OARTXODRGOALCZ-UHFFFAOYSA-N 441.770 2.987 0 40 IFAB NS(=O)(=O)c1ccc(N[C@@H]2SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 6148152 CNCCJBLOTMXAHN-CYBMUJFWSA-N 431.417 2.991 0 40 IFAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8862202 RTWIRROCEANZNM-DHZHZOJOSA-N 436.537 2.560 0 40 IFAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC3CCCCC3)CC2=O)cc1 9217177 JZNJIIAOEPZUTP-GOSISDBHSA-N 435.590 2.767 0 40 IFAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CC2=O)cc1 9519963 PAKZIIQSNBKKHO-IBGZPJMESA-N 436.512 2.535 0 40 IFAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-n2nc(C)cc2C)nc2c(c1=O)CCCC2 9828810 RGYRTERHQDIVFM-UHFFFAOYSA-N 449.511 2.740 0 40 IFAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)c4ccnn4C)CC3)C1)c1cccn1-2 12086245 ZCADRJQQJSQUSS-XMMPIXPASA-N 433.512 2.936 0 40 IFAB CCn1c(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cnc1SC 12221301 WXPIDRPQYLWZOI-UHFFFAOYSA-N 445.614 2.937 0 40 IFAB CCN(Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 12558103 UXWUANYQLJVEFD-GOSISDBHSA-N 429.571 2.932 0 40 IFAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2ccccc2F)CC1 12564048 AUIRYQCUHCHVKI-SFHVURJKSA-N 426.536 2.996 0 40 IFAB CS(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1 12747279 LPPKEHISJDQVSL-UHFFFAOYSA-N 432.523 2.550 0 40 IFAB Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12821580 VGSNIBDWIAUVFT-UHFFFAOYSA-N 444.887 2.839 0 40 IFAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21)N1CCOCC1 12882298 IVAYKFNJIDWXOW-UHFFFAOYSA-N 436.537 2.577 0 40 IFAB O=C(Nc1cccc(I)c1)c1ccc(S(=O)(=O)NC2CC2)cc1 12983003 YEYHHRBBYRSEOE-UHFFFAOYSA-N 442.278 2.984 0 40 IFAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 13014803 NSBBFWXWAJIVER-OAHLLOKOSA-N 443.500 2.721 0 40 IFAB CCN(CC(=O)Nc1cc(OC)ccc1OC)S(=O)(=O)c1cc(F)ccc1OC 13581218 IVBHWXHKYAHRFS-UHFFFAOYSA-N 426.466 2.501 0 40 IFAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 15752286 WCHONVKSZYGTQD-AWEZNQCLSA-N 428.510 2.837 0 40 IFAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 15977049 CVKYRJOARZSVHM-UHFFFAOYSA-N 442.459 2.965 0 40 IFAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 16087583 FFKOAWNBNAIEHU-UHFFFAOYSA-N 448.419 2.862 0 40 IFAB Cc1c(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 16249156 VDSUQFJRMQCWMD-UHFFFAOYSA-N 448.932 2.543 0 40 IFAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(c3ncccn3)CC2)cc1 17299367 HMKAAYVRSBSKNZ-UHFFFAOYSA-N 439.545 2.535 0 40 IFAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19332077 YBBJDXIDTZDEJU-HXUWFJFHSA-N 438.503 2.961 0 40 IFAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)cc1 19647818 ZYFXMZIMPQIGFU-FMFRFZGHSA-N 448.585 2.780 0 40 IFAB Cn1c(-c2ccccc2)cnc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 19747678 HFVCNCOKDWZHNP-MRXNPFEDSA-N 428.489 2.876 0 40 IFAB N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1cccc(Br)c1 20149835 ITPQGJWRZHISNX-UHFFFAOYSA-N 443.345 2.900 0 40 IFAB COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)cc1 20463761 QWUGVXZCICOEDQ-LFEPYJTBSA-N 438.568 2.593 0 40 IFAB biogenic,in-vitro O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2cccc3ccccc23)CC1 22226167 FHUXBIRLWVYPNH-UHFFFAOYSA-N 434.540 2.739 0 40 IFAB CC(=O)NCc1ccc(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)s1 24737240 BKSACBWNGXAENG-OAHLLOKOSA-N 437.905 2.563 0 40 IFAB CCn1c(N2CCN(C(=O)Nc3ccccc3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555655 JIYIKYHPYORCKW-UHFFFAOYSA-N 435.484 2.542 0 40 IFAB O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCN(c2ccccc2O)CC1 32795520 DAUNNECXUYYUOH-OAHLLOKOSA-N 444.329 2.856 0 40 IFAB COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O 32808826 PFJHEJQCHBJBSE-KRWDZBQOSA-N 448.523 2.863 0 40 IFAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1S(=O)(=O)N1CCOCC1 32865715 MHCLQOULBVLNDS-UHFFFAOYSA-N 432.586 2.930 0 40 IFAB CCN1CCN([C@@H](C(=O)O)c2cn(CCC(=O)O)c3cc(Br)ccc23)CC1 36359659 NGCOBOFRPZHLCG-GOSISDBHSA-N 438.322 2.642 0 40 IFAB NC(=O)[C@H]1CN(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc2O1 37198759 WXZKFZYJZLRXEY-HNAYVOBHSA-N 436.537 2.755 0 40 IFAB CC[C@@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 38755541 TZDVBMZXBQGWQY-FQEVSTJZSA-N 430.505 2.872 0 40 IFAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 40058715 KGSGYXPRLGWCHK-UHFFFAOYSA-N 433.349 2.938 0 40 IFAB O=C(NC1CCN(CC2CCCCC2)CC1)N1CCN(C(=O)c2ccc(O)cc2)CC1 58265264 PJANONKHKCJSDX-UHFFFAOYSA-N 428.577 2.904 0 40 IFAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1cccnc1S 70041040 MMCOYDJFPCCEQB-OQLLNIDSSA-N 429.479 2.565 0 40 IFAB COc1cc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc(OC)c1 71327272 AMVDBMXCKDLVFO-UHFFFAOYSA-N 427.436 2.942 0 40 IFAB COc1ccccc1CN1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1 72344917 BVRUMFYPWRUDJN-SFHVURJKSA-N 434.562 2.944 0 40 IFAB CCCc1ccc([C@@H](C)N(CC(N)=O)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 84758991 JKBGAEPSDGGEKZ-OAHLLOKOSA-N 449.548 2.669 0 40 IFAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 95482836 ZZHBAQQDJNPIKC-IBGZPJMESA-N 442.899 2.742 0 40 IFAB Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)c1 96251297 YMESLPSWEZOGEI-YKSBVNFPSA-N 438.576 2.563 0 40 IFAB CCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)c1O 96835588 HMMKHWZRAJCRKU-UHFFFAOYSA-N 425.832 2.632 0 40 IFAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1C 97943492 DPTPGGLNGBGXIL-QFIPXVFZSA-N 445.523 2.765 0 40 IFAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N1CCN(C(C)C)CC1)NC2=O 100181517 FFOCZTRFLMQFOT-ODNSNXTGSA-N 427.545 2.503 0 40 IFAB Cc1cccc(C)c1N1C(=O)C[C@H](N(O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)C1=O 101030653 ITTDHQNVGAWNQU-ROUUACIJSA-N 435.480 2.575 0 40 IFAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 106757064 WELYIHRRWGMMTR-ATVHPVEESA-N 432.498 2.677 0 40 IFAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOc4ccccc43)CC2)cc1 222576015 QWKRIKXREDUNAI-UHFFFAOYSA-N 430.526 2.912 0 40 IFAB CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222703602 LRGDTFWMNNZDOY-INIZCTEOSA-N 448.541 2.888 0 40 IFAB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)Cn1cc(I)cn1 223439648 OFQCHRBLLGYAES-UHFFFAOYSA-N 426.233 2.775 0 40 IFAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3nc(-c4cccc(OC)c4)no3)ccc21 224517227 UBXXBXAALBHDNZ-UHFFFAOYSA-N 442.497 2.523 0 40 IFAB CSCC[C@@H](NC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1)C(=O)O 256027825 FCEJUIWAMCQBAA-MOPGFXCFSA-N 429.494 2.842 0 40 IFAB CCn1cc(CN2CCO[C@H](c3cc(CCOc4cccc(OC)c4)n(C)n3)C2)cn1 257248495 JDWUSRYNWJASQH-QHCPKHFHSA-N 425.533 2.840 0 40 IFAB C[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408651981 BYJUORLKRNTAJW-WQFFQYHTSA-N 437.279 2.671 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 575618403 VNKBIKLTTAYCJO-KBXCAEBGSA-N 436.530 2.629 0 40 IFAB Cn1nc(-c2ccccc2)cc1C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147618 HFDODUNWQBTYOK-UHFFFAOYSA-N 437.525 2.551 0 40 IFAB COC1CCN([C@H]2[C@H](NC(=O)c3ccccc3F)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585262295 HQQADYYKSRLVNH-LUKWVAJMSA-N 428.504 2.616 0 40 IFAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 604382600 UFMSBXOZQWPMFX-MOUTVQLLSA-N 437.515 2.885 0 40 IFAB biogenic,in-vitro Cc1cncc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)c1 643556655 OJTFDAZOOCICHH-RUZDIDTESA-N 437.540 2.865 0 40 IFAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NC[C@H]4CCCO4)cc3C2=O)c1 3471876 QYTPQYMNEHHQDP-QGZVFWFLSA-N 436.464 2.556 0 40 IFAB COc1cc(OC)cc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 3529801 RUISRKKWNCMFBK-UHFFFAOYSA-N 447.509 2.918 0 40 IFAB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC1CCCCCC1 8828857 PLMWOODVIGVQAT-UHFFFAOYSA-N 434.514 2.754 0 40 IFAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O 8878366 YYOKINWHIOKPNX-DOTOQJQBSA-N 429.542 2.517 0 40 IFAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 9223605 XZVUDGIVDAHDPB-HNNXBMFYSA-N 431.489 2.602 0 40 IFAB COc1ccc(CN2C(=O)[C@@](NC(=O)c3cccc(OC)c3)(C(F)(F)F)N=C2O)cc1 9346277 JECNJRRXHPHOFV-IBGZPJMESA-N 437.374 2.649 0 40 IFAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N[C@@H]1CCS(=O)(=O)C1 9575745 XCJXYIKVYVMTHJ-OAHLLOKOSA-N 447.896 2.796 0 40 IFAB COc1ccc(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1S(=O)(=O)N(C)C 9672278 FKWONXGRNOYIAE-LJQANCHMSA-N 430.530 2.949 0 40 IFAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1cccc(F)c1 9674732 KHQIXFQIWBPOND-CVEARBPZSA-N 446.236 2.520 0 40 IFAB O=C(Cn1nnn(-c2ccccc2)c1=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9783567 XVEWISBBUIPNBJ-MRXNPFEDSA-N 436.522 2.930 0 40 IFAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2)n1 12088637 ZSZKGQHNAHKKSW-IBGZPJMESA-N 426.484 2.843 0 40 IFAB O=C(NC1=NCCS1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 12597697 VVAIXVKUOHWDGV-UHFFFAOYSA-N 436.603 2.684 0 40 IFAB CCc1ccc([C@@H](C)NC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12871272 WQKNRXCAHKHWPA-GOSISDBHSA-N 447.576 2.962 0 40 IFAB CN(C)[C@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 12922776 AMPYGDDROPIKRH-QFIPXVFZSA-N 443.613 2.693 0 40 IFAB COc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(C)=O)CC1 13084877 WEVXHYCKFVNGRM-NRFANRHFSA-N 438.528 2.555 0 40 IFAB CCN(c1ccc(C(=O)N2CCN(C=O)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 13596081 IPIHVMSJQVRRFH-UHFFFAOYSA-N 447.582 2.538 0 40 IFAB O=C1C[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(F)cc2N1 14524881 CWZNJDGQERWRED-LJQANCHMSA-N 445.516 2.743 0 40 IFAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1OC 15318732 XHDCPJVSJZTZIB-UHFFFAOYSA-N 434.514 2.896 0 40 IFAB CCOc1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1=O 16046653 ZTVLEEGZZJGTES-GOSISDBHSA-N 436.512 2.815 0 40 IFAB COc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)cnc32)cc1 16955142 RKLCIEUSGBGWJO-UHFFFAOYSA-N 444.373 2.643 0 40 IFAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)cc1 17307929 NFNCCBWIRZWOJK-UHFFFAOYSA-N 430.464 2.644 0 40 IFAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)cc2n1 19452384 MRLRUCHAVHCHMA-CHWSQXEVSA-N 444.479 2.622 0 40 IFAB COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC 19549523 FIGSCXZJIZJRDU-QGZVFWFLSA-N 436.468 2.835 0 40 IFAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2c(C)cc(C)n(C)c2=O)cc(=O)[nH]1 19572211 LTCKCHCCUFDREV-IBGZPJMESA-N 431.496 2.589 0 40 IFAB Cc1nccn1CCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19692676 KSHLBTAHDWOCNX-FQEVSTJZSA-N 438.507 2.844 0 40 IFAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 19880321 HPMDLPMGGFOYNJ-UHFFFAOYSA-N 427.448 2.936 0 40 IFAB COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 20466854 UIYBYOQFZGGRHH-JZNVBFRMSA-N 444.616 2.936 0 40 IFAB biogenic,in-vitro CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)sc2c1 20745343 RZUGBLOGCXSOME-NSHDSACASA-N 433.486 2.831 0 40 IFAB C[C@H]1CCc2c(sc3ncn(CC(=O)NC[C@@H]4COc5ccccc5O4)c(=O)c23)C1 32736384 WXYDNHADYYXZDK-UONOGXRCSA-N 425.510 2.539 0 40 IFAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCC(c2nnc3ccccn23)CC1 32795848 ZOXHYIAMFODKAW-FQEVSTJZSA-N 429.524 2.977 0 40 IFAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 32809393 ZRDBMNVUELAGCA-FQEVSTJZSA-N 425.485 2.960 0 40 IFAB Cc1nn2c(nnc3c(=O)n(-c4ncccn4)ccc32)c1-c1ccc(Br)cc1 38828566 RSFFAMIDXZRECV-UHFFFAOYSA-N 434.257 2.956 0 40 IFAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O 40116576 CYYUFCGYFKPEHE-SFHVURJKSA-N 426.416 2.946 0 40 IFAB CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1)C(C)C 40157855 LZSTXXAFJPVNNB-UHFFFAOYSA-N 448.541 2.934 0 40 IFAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 48354168 SDAHTGUDDOSOKS-MRXNPFEDSA-N 437.479 2.583 0 40 IFAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc4c(c3)OCO4)c2c1=O 65113379 MIXNJRXBVWHTHU-UHFFFAOYSA-N 430.464 2.930 0 40 IFAB CCOc1ccccc1NC(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O 65196651 KSSVYSGLQOPTJF-UHFFFAOYSA-N 433.468 2.912 0 40 IFAB Cc1oc(C2CCN([C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)nc1-c1ccccc1 72304920 BJHWLLRTXKBNFS-JXFKEZNVSA-N 445.585 2.863 0 40 IFAB Cc1nc(-c2ccc(S(=O)(=O)N3CCc4cc(S(N)(=O)=O)ccc43)s2)cs1 84275099 OWLJWLSLDBUYAV-UHFFFAOYSA-N 441.581 2.579 0 40 IFAB COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)cc(OC)c1OC 85879879 ALRYNPIRZDALJX-UHFFFAOYSA-N 430.409 2.827 0 40 IFAB biogenic COc1ccc(CCNC(=O)[C@@H]2CSc3nc(C(C)(C)C)cc(=O)n3C2)cc1OC 90609675 ICEINTNQLSHHQR-HNNXBMFYSA-N 431.558 2.639 0 40 IFAB COc1ccccc1N1CCN(C(=O)[C@H](CCSC)Nc2nc(C)cc(C)n2)CC1 95473373 ZGLPPFPSIMUEBD-SFHVURJKSA-N 429.590 2.984 0 40 IFAB Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)C[C@]12CC[C@@H](CC1=O)C2(C)C 101324477 DLVRMGDDERHUET-MGPUTAFESA-N 440.587 2.672 0 40 IFAB CCn1c(COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)nc2cc(S(=O)(=O)N(C)C)ccc21 102955507 QOYCCOCBSDAOJH-HUUCEWRRSA-N 447.557 2.745 0 40 IFAB CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)N(c1ccccc1F)S(C)(=O)=O 220589937 DXOOVGDEQAPMOV-KRWDZBQOSA-N 438.521 2.746 0 40 IFAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCN(C)CC1 224939017 AWRINANNQQSFDU-UHFFFAOYSA-N 439.940 2.905 0 40 IFAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc(O)cc2O3)cc1OC 225819682 PYIIUGUKNLGCTJ-UHFFFAOYSA-N 433.482 2.598 0 40 IFAB O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)[C@@H]1CO[C@H]2C=CC=C[C@H]2O1 252585023 FPKARSCPTNRBHY-KSZLIROESA-N 437.323 2.993 0 40 IFAB COC(=O)[C@@H]1CC[C@@H]2[C@@]34CC[C@@]5(O)C[C@@H](OC(C)=O)CC[C@]5([C@@H]3CC[C@]21C)[C@H](OC)O4 253596093 NAWSESIXRIDTIN-UTRHCILUSA-N 436.545 2.970 0 40 IFAB Cc1nc2ccc(NC(=O)[C@@H]3CN(C(=O)c4ccn(C(C)C)n4)CCN3C)cc2s1 257307802 TUELZAIQEHDJJC-SFHVURJKSA-N 426.546 2.777 0 40 IFAB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 408545063 OLVBCTXKZXGOQT-KRWDZBQOSA-N 434.558 2.834 0 40 IFAB CN(C)S(=O)(=O)N1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)CC1 575615999 NAQSSPPDMVTESF-UHFFFAOYSA-N 429.542 2.559 0 40 IFAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 680530409 VPVLVVQDSPUQFS-PVFTVIPPSA-N 437.399 2.941 0 40 IFAB CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H]1CC[C@H](C(N)=O)C1)Cc1cc(F)c(F)cc1F 1556993660 VOIOGEMCORDATF-IACUBPJLSA-N 443.466 2.700 0 40 IFAB Cc1cc(S(=O)(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)CO2)c(Cl)cc1Cl 1888947707 BLGBJZCYDUPOOJ-STQMWFEESA-N 433.357 2.845 0 40 IFAB